data_r4p3vsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-04-15 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4p3v 
_cell.length_a      51.1070 
_cell.length_b      51.1070 
_cell.length_c      110.4620 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   120.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.98401 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.250 
_diffrn_reflns.pdbx_d_res_low    44.260 
_diffrn_reflns.limit_h_max       35 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       20 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       88 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            24431 
_diffrn_reflns.pdbx_number_obs   24214 
# 
_entry.id   4p3v 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4p3v 
_symmetry.space_group_name_H-M   "P 65 2 2" 
_symmetry.Int_Tables_number      179 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1  "X,  Y,  Z"          
2  "Y,  -X+Y,  Z+1/6"   
3  "X-Y,  X,  Z+5/6"    
4  "X-Y,  -Y,  -Z"      
5  "Y,  X,  -Z+2/3"     
6  "-Y,  -X,  -Z+1/6"   
7  "X,  X-Y,  -Z+5/6"   
8  "-X+Y,  Y,  -Z+1/2"  
9  "-X,  -X+Y,  -Z+1/3" 
10 "-X+Y,  -X,  Z+1/3"  
11 "-X,  -Y,  Z+1/2"    
12 "-Y,  X-Y,  Z+2/3"   
# 
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  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 0  0  12 o 312.406 4.6356 765.540  22.691  765.540  22.691  765.540  22.691  312.406 4.6356 312.406 4.6356 0.000000       0.000000 
1 1 1 0  0  18 o 70.937  2.3101 39.569   2.5628  39.569   2.5628  39.569   2.5628  70.937  2.3101 70.937  2.3101 0.000000       0.000000 
1 1 1 0  0  24 o 736.307 15.108 4256.46  174.224 4256.46  174.224 4256.46  174.224 736.307 15.108 736.307 15.108 0.000000       0.000000 
1 1 1 0  0  30 o 372.994 7.7993 1092.06  45.560  1092.06  45.560  1092.06  45.560  372.994 7.7993 372.994 7.7993 0.000000       0.000000 
1 1 1 0  0  36 o 245.237 5.3101 472.112  20.393  472.112  20.393  472.112  20.393  245.237 5.3101 245.237 5.3101 -0.000000      0.000000 
1 1 1 0  0  42 o 91.968  2.7208 66.474   3.9149  66.474   3.9149  66.474   3.9149  91.968  2.7208 91.968  2.7208 0.000000       0.000000 
1 1 1 0  0  48 o 1892.44 39.292 28509.62 1164.56 28509.62 1164.56 28509.62 1164.56 1892.44 39.292 1892.44 39.292 0.000000       0.000000 
1 1 1 0  0  54 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 0  0  60 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 0  0  66 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 0  0  72 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 0  0  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 0  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  0  o 76.171  2.1782 45.590   2.5961  45.590   2.5961  45.590   2.5961  76.171  2.1782 76.171  2.1782 0.000000       0.000000 
1 1 1 1  0  1  o 282.878 2.6632 627.440  11.808  627.440  11.808  627.440  11.808  282.878 2.6632 282.878 2.6632 -0.000000      0.000000 
1 1 1 1  0  2  o 361.852 3.0695 1026.66  17.409  1026.66  17.409  1026.66  17.409  361.852 3.0695 361.852 3.0695 0.000000       0.000000 
1 1 1 1  0  3  o 57.731  0.8683 26.142   0.7854  26.142   0.7854  26.142   0.7854  57.731  0.8683 57.731  0.8683 0.000000       0.000000 
1 1 1 1  0  4  o 626.008 5.7406 3073.70  56.326  3073.70  56.326  3073.70  56.326  626.008 5.7406 626.008 5.7406 -0.000000      0.000000 
1 1 1 1  0  5  o 235.604 2.2490 435.244  8.3051  435.244  8.3051  435.244  8.3051  235.604 2.2490 235.604 2.2490 -0.000000      0.000000 
1 1 1 1  0  6  o 770.008 7.8741 4652.34  95.027  4652.34  95.027  4652.34  95.027  770.008 7.8741 770.008 7.8741 -0.000000      0.000000 
1 1 1 1  0  7  o 678.303 6.9589 3609.60  73.980  3609.60  73.980  3609.60  73.980  678.303 6.9589 678.303 6.9589 0.000000       0.000000 
1 1 1 1  0  8  o 232.566 2.4963 424.129  9.0989  424.129  9.0989  424.129  9.0989  232.566 2.4963 232.566 2.4963 0.000000       0.000000 
1 1 1 1  0  9  o 931.002 9.5108 6803.50  138.778 6803.50  138.778 6803.50  138.778 931.002 9.5108 931.002 9.5108 0.000000       0.000000 
1 1 1 1  0  10 o 915.710 8.3685 6579.83  120.109 6579.83  120.109 6579.83  120.109 915.710 8.3685 915.710 8.3685 -0.000000      0.000000 
1 1 1 1  0  11 o 104.477 1.2170 85.596   1.9927  85.596   1.9927  85.596   1.9927  104.477 1.2170 104.477 1.2170 -0.000000      0.000000 
1 1 1 1  0  12 o 221.971 1.8143 386.297  6.3125  386.297  6.3125  386.297  6.3125  221.971 1.8143 221.971 1.8143 -0.000000      0.000000 
1 1 1 1  0  13 o 367.851 2.8992 1060.94  16.716  1060.94  16.716  1060.94  16.716  367.851 2.8992 367.851 2.8992 -0.000000      0.000000 
1 1 1 1  0  14 o 55.601  0.7328 24.245   0.6385  24.245   0.6385  24.245   0.6385  55.601  0.7328 55.601  0.7328 -0.000000      0.000000 
1 1 1 1  0  15 o 802.906 5.8152 5055.79  73.187  5055.79  73.187  5055.79  73.187  802.906 5.8152 802.906 5.8152 -0.000000      0.000000 
1 1 1 1  0  16 o 51.756  0.7486 21.010   0.6071  21.010   0.6071  21.010   0.6071  51.756  0.7486 51.756  0.7486 0.000000       0.000000 
1 1 1 1  0  17 o 8.1312  2.2557 0.6242   0.2487  0.6242   0.2487  0.6242   0.2487  8.1312  2.2557 8.1312  2.2557 -0.000000      0.000000 
1 1 1 1  0  18 o 255.168 1.8205 510.456  7.2813  510.456  7.2813  510.456  7.2813  255.168 1.8205 255.168 1.8205 -0.000000      0.000000 
1 1 1 1  0  19 o 82.917  0.9497 53.912   1.2342  53.912   1.2342  53.912   1.2342  82.917  0.9497 82.917  0.9497 0.000000       0.000000 
1 1 1 1  0  20 o 221.980 1.6113 386.304  5.6064  386.304  5.6064  386.304  5.6064  221.980 1.6113 221.980 1.6113 0.000000       0.000000 
1 1 1 1  0  21 o 501.028 3.9114 1968.30  30.717  1968.30  30.717  1968.30  30.717  501.028 3.9114 501.028 3.9114 -0.000000      0.000000 
1 1 1 1  0  22 f 37.742  1.0784 11.193   0.6369  11.193   0.6369  11.193   0.6369  37.742  1.0784 37.742  1.0784 -0.000000      0.000000 
1 1 1 1  0  23 o 536.418 3.6876 2256.05  31.007  2256.05  31.007  2256.05  31.007  536.418 3.6876 536.418 3.6876 0.000000       0.000000 
1 1 1 1  0  24 o 565.402 4.7554 2506.83  42.143  2506.83  42.143  2506.83  42.143  565.402 4.7554 565.402 4.7554 0.000000       0.000000 
1 1 1 1  0  25 o 514.691 4.3376 2077.25  34.993  2077.25  34.993  2077.25  34.993  514.691 4.3376 514.691 4.3376 0.000000       0.000000 
1 1 1 1  0  26 o 407.019 2.9963 1298.86  19.116  1298.86  19.116  1298.86  19.116  407.019 2.9963 407.019 2.9963 0.000000       0.000000 
1 1 1 1  0  27 o 294.024 2.3605 677.797  10.879  677.797  10.879  677.797  10.879  294.024 2.3605 294.024 2.3605 0.000000       0.000000 
1 1 1 1  0  28 o 374.457 2.9611 1099.38  17.380  1099.38  17.380  1099.38  17.380  374.457 2.9611 374.457 2.9611 0.000000       0.000000 
1 1 1 1  0  29 o 215.342 1.7930 363.568  6.0520  363.568  6.0520  363.568  6.0520  215.342 1.7930 215.342 1.7930 -0.000000      0.000000 
1 1 1 1  0  30 o 188.772 1.6087 279.387  4.7598  279.387  4.7598  279.387  4.7598  188.772 1.6087 188.772 1.6087 -0.000000      0.000000 
1 1 1 1  0  31 o 56.133  0.9648 24.720   0.8484  24.720   0.8484  24.720   0.8484  56.133  0.9648 56.133  0.9648 -0.000000      0.000000 
1 1 1 1  0  32 o 150.268 1.4599 177.049  3.4384  177.049  3.4384  177.049  3.4384  150.268 1.4599 150.268 1.4599 0.000000       0.000000 
1 1 1 1  0  33 o 286.082 2.4899 641.712  11.165  641.712  11.165  641.712  11.165  286.082 2.4899 286.082 2.4899 -0.000000      0.000000 
1 1 1 1  0  34 o 45.120  1.0860 15.985   0.7672  15.985   0.7672  15.985   0.7672  45.120  1.0860 45.120  1.0860 -0.000000      0.000000 
1 1 1 1  0  35 o 215.285 1.9388 363.399  6.5423  363.399  6.5423  363.399  6.5423  215.285 1.9388 215.285 1.9388 0.000000       0.000000 
1 1 1 1  0  36 o 64.652  1.0333 32.789   1.0467  32.789   1.0467  32.789   1.0467  64.652  1.0333 64.652  1.0333 -0.000000      0.000000 
1 1 1 1  0  37 o 97.668  1.1394 74.803   1.7440  74.803   1.7440  74.803   1.7440  97.668  1.1394 97.668  1.1394 0.000000       0.000000 
1 1 1 1  0  38 o 309.500 2.6829 751.137  13.015  751.137  13.015  751.137  13.015  309.500 2.6829 309.500 2.6829 0.000000       0.000000 
1 1 1 1  0  39 o 650.520 6.6960 3322.24  68.269  3322.24  68.269  3322.24  68.269  650.520 6.6960 650.520 6.6960 -0.000000      0.000000 
1 1 1 1  0  40 o 451.112 4.6882 1596.76  33.147  1596.76  33.147  1596.76  33.147  451.112 4.6882 451.112 4.6882 -0.000000      0.000000 
1 1 1 1  0  41 o 11.900  4.1821 1.4566   0.7076  1.4566   0.7076  1.4566   0.7076  11.900  4.1821 11.900  4.1821 0.000000       0.000000 
1 1 1 1  0  42 o 53.622  1.3741 22.584   1.1534  22.584   1.1534  22.584   1.1534  53.622  1.3741 53.622  1.3741 0.000000       0.000000 
1 1 1 1  0  43 f 7.4831  4.1503 0.5989   0.7164  0.5989   0.7164  0.5989   0.7164  7.4831  4.1503 7.4831  4.1503 -0.000000      0.000000 
1 1 1 1  0  44 o 21.564  2.3524 3.7742   0.7712  3.7742   0.7712  3.7742   0.7712  21.564  2.3524 21.564  2.3524 -0.000000      0.000000 
1 1 1 1  0  45 o 303.712 3.2330 723.622  15.389  723.622  15.389  723.622  15.389  303.712 3.2330 303.712 3.2330 0.000000       0.000000 
1 1 1 1  0  46 o 505.800 5.2414 2008.71  41.551  2008.71  41.551  2008.71  41.551  505.800 5.2414 505.800 5.2414 0.000000       0.000000 
1 1 1 1  0  47 o 356.036 3.7481 994.667  20.915  994.667  20.915  994.667  20.915  356.036 3.7481 356.036 3.7481 -0.000000      0.000000 
1 1 1 1  0  48 o 475.279 4.9371 1773.59  36.777  1773.59  36.777  1773.59  36.777  475.279 4.9371 475.279 4.9371 -0.000000      0.000000 
1 1 1 1  0  49 o 42.103  1.5055 13.950   0.9908  13.950   0.9908  13.950   0.9908  42.103  1.5055 42.103  1.5055 0.000000       0.000000 
1 1 1 1  0  50 f 93.400  1.4157 68.434   2.0718  68.434   2.0718  68.434   2.0718  93.400  1.4157 93.400  1.4157 0.000000       0.000000 
1 1 1 1  0  51 o 372.511 5.5436 1090.74  32.357  1090.74  32.357  1090.74  32.357  372.511 5.5436 372.511 5.5436 0.000000       0.000000 
1 1 1 1  0  52 o 163.189 2.7456 209.038  7.0195  209.038  7.0195  209.038  7.0195  163.189 2.7456 163.189 2.7456 -0.000000      0.000000 
1 1 1 1  0  53 o 38.681  2.4242 11.871   1.4568  11.871   1.4568  11.871   1.4568  38.681  2.4242 38.681  2.4242 -0.000000      0.000000 
1 1 1 1  0  54 o 28.438  2.9764 6.5500   1.2937  6.5500   1.2937  6.5500   1.2937  28.438  2.9764 28.438  2.9764 -0.000000      0.000000 
1 1 1 1  0  55 f 153.095 2.6094 184.011  6.2584  184.011  6.2584  184.011  6.2584  153.095 2.6094 153.095 2.6094 0.000000       0.000000 
1 1 1 1  0  56 o 82.430  1.9569 53.374   2.5255  53.374   2.5255  53.374   2.5255  82.430  1.9569 82.430  1.9569 -0.000000      0.000000 
1 1 1 1  0  57 o 58.124  1.9040 26.580   1.7307  26.580   1.7307  26.580   1.7307  58.124  1.9040 58.124  1.9040 0.000000       0.000000 
1 1 1 1  0  58 o 120.564 2.2122 114.147  4.1780  114.147  4.1780  114.147  4.1780  120.564 2.2122 120.564 2.2122 0.000000       0.000000 
1 1 1 1  0  59 o 48.287  2.4440 18.439   1.8393  18.439   1.8393  18.439   1.8393  48.287  2.4440 48.287  2.4440 -0.000000      0.000000 
1 1 1 1  0  60 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  61 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  62 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  63 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  64 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  65 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  66 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  67 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  68 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  69 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  70 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  71 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  72 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  73 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  75 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  0  88 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  0  o 982.248 11.595 7571.62  178.494 7571.62  178.494 7571.62  178.494 982.248 11.595 982.248 11.595 -0.000000      0.000000 
1 1 1 1  1  1  o 929.098 6.7160 6770.87  97.808  6770.87  97.808  6770.87  97.808  929.098 6.7160 929.098 6.7160 -0.000000      0.000000 
1 1 1 1  1  2  o 992.531 7.6648 7728.38  119.246 7728.38  119.246 7728.38  119.246 992.531 7.6648 992.531 7.6648 -0.000000      0.000000 
1 1 1 1  1  3  f 555.395 4.3189 2418.81  37.598  2418.81  37.598  2418.81  37.598  555.395 4.3189 555.395 4.3189 -0.000000      0.000000 
1 1 1 1  1  4  o 537.768 4.1803 2267.68  35.236  2267.68  35.236  2267.68  35.236  537.768 4.1803 537.768 4.1803 0.000000       0.000000 
1 1 1 1  1  5  o 867.248 7.2393 5900.28  98.407  5900.28  98.407  5900.28  98.407  867.248 7.2393 867.248 7.2393 -0.000000      0.000000 
1 1 1 1  1  6  o 404.435 3.1730 1282.49  20.114  1282.49  20.114  1282.49  20.114  404.435 3.1730 404.435 3.1730 -0.000000      0.000000 
1 1 1 1  1  7  o 33.320  0.9329 8.7230   0.4864  8.7230   0.4864  8.7230   0.4864  33.320  0.9329 33.320  0.9329 -0.000000      0.000000 
1 1 1 1  1  8  o 318.142 2.7321 793.601  13.624  793.601  13.624  793.601  13.624  318.142 2.7321 318.142 2.7321 -0.000000      0.000000 
1 1 1 1  1  9  o 898.625 7.4968 6335.25  105.594 6335.25  105.594 6335.25  105.594 898.625 7.4968 898.625 7.4968 0.000000       0.000000 
1 1 1 1  1  10 o 1012.18 8.4394 8039.04  133.892 8039.04  133.892 8039.04  133.892 1012.18 8.4394 1012.18 8.4394 0.000000       0.000000 
1 1 1 1  1  11 o 128.707 1.4186 129.896  2.8614  129.896  2.8614  129.896  2.8614  128.707 1.4186 128.707 1.4186 0.000000       0.000000 
1 1 1 1  1  12 o 1013.56 9.2615 8062.49  147.130 8062.49  147.130 8062.49  147.130 1013.56 9.2615 1013.56 9.2615 0.000000       0.000000 
1 1 1 1  1  13 o 565.121 5.2008 2504.69  46.066  2504.69  46.066  2504.69  46.066  565.121 5.2008 565.121 5.2008 -0.000000      0.000000 
1 1 1 1  1  14 o 299.128 2.8414 701.608  13.321  701.608  13.321  701.608  13.321  299.128 2.8414 299.128 2.8414 -0.000000      0.000000 
1 1 1 1  1  15 o 322.958 3.0458 817.859  15.418  817.859  15.418  817.859  15.418  322.958 3.0458 322.958 3.0458 0.000000       0.000000 
1 1 1 1  1  16 o 421.313 3.5723 1391.83  23.591  1391.83  23.591  1391.83  23.591  421.313 3.5723 421.313 3.5723 0.000000       0.000000 
1 1 1 1  1  17 o 12.176  2.5490 1.3037   0.4286  1.3037   0.4286  1.3037   0.4286  12.176  2.5490 12.176  2.5490 -0.000000      0.000000 
1 1 1 1  1  18 o 177.757 1.8119 247.757  5.0479  247.757  5.0479  247.757  5.0479  177.757 1.8119 177.757 1.8119 -0.000000      0.000000 
1 1 1 1  1  19 o 31.813  1.2429 7.9693   0.6177  7.9693   0.6177  7.9693   0.6177  31.813  1.2429 31.813  1.2429 0.000000       0.000000 
1 1 1 1  1  20 o 110.330 1.3246 95.456   2.2903  95.456   2.2903  95.456   2.2903  110.330 1.3246 110.330 1.3246 -0.000000      0.000000 
1 1 1 1  1  21 o 451.984 4.6886 1602.15  33.214  1602.15  33.214  1602.15  33.214  451.984 4.6886 451.984 4.6886 -0.000000      0.000000 
1 1 1 1  1  22 f 690.783 6.3416 3742.69  68.661  3742.69  68.661  3742.69  68.661  690.783 6.3416 690.783 6.3416 0.000000       0.000000 
1 1 1 1  1  23 o 654.243 5.0784 3356.52  52.079  3356.52  52.079  3356.52  52.079  654.243 5.0784 654.243 5.0784 -0.000000      0.000000 
1 1 1 1  1  24 o 396.314 3.7054 1231.61  23.016  1231.61  23.016  1231.61  23.016  396.314 3.7054 396.314 3.7054 0.000000       0.000000 
1 1 1 1  1  25 o 296.842 2.8276 690.920  13.156  690.920  13.156  690.920  13.156  296.842 2.8276 296.842 2.8276 0.000000       0.000000 
1 1 1 1  1  26 o 33.635  1.1757 8.9001   0.6182  8.9001   0.6182  8.9001   0.6182  33.635  1.1757 33.635  1.1757 0.000000       0.000000 
1 1 1 1  1  27 o 179.113 1.5596 251.527  4.3783  251.527  4.3783  251.527  4.3783  179.113 1.5596 179.113 1.5596 0.000000       0.000000 
1 1 1 1  1  28 o 483.695 3.7879 1834.48  28.719  1834.48  28.719  1834.48  28.719  483.695 3.7879 483.695 3.7879 -0.000000      0.000000 
1 1 1 1  1  29 o 224.874 1.8757 396.468  6.6112  396.468  6.6112  396.468  6.6112  224.874 1.8757 224.874 1.8757 -0.000000      0.000000 
1 1 1 1  1  30 o 260.392 2.1302 531.606  8.6942  531.606  8.6942  531.606  8.6942  260.392 2.1302 260.392 2.1302 0.000000       0.000000 
1 1 1 1  1  31 o 392.646 3.1049 1208.81  19.109  1208.81  19.109  1208.81  19.109  392.646 3.1049 392.646 3.1049 -0.000000      0.000000 
1 1 1 1  1  32 o 608.679 4.7385 2905.41  45.209  2905.41  45.209  2905.41  45.209  608.679 4.7385 608.679 4.7385 0.000000       0.000000 
1 1 1 1  1  33 o 180.102 1.5771 254.318  4.4521  254.318  4.4521  254.318  4.4521  180.102 1.5771 180.102 1.5771 0.000000       0.000000 
1 1 1 1  1  34 o 263.416 2.1563 544.036  8.9029  544.036  8.9029  544.036  8.9029  263.416 2.1563 263.416 2.1563 -0.000000      0.000000 
1 1 1 1  1  35 o 284.434 2.3094 634.323  10.296  634.323  10.296  634.323  10.296  284.434 2.3094 284.434 2.3094 -0.000000      0.000000 
1 1 1 1  1  36 o 68.954  1.2209 37.304   1.3189  37.304   1.3189  37.304   1.3189  68.954  1.2209 68.954  1.2209 -0.000000      0.000000 
1 1 1 1  1  37 o 386.569 3.6323 1171.97  22.008  1171.97  22.008  1171.97  22.008  386.569 3.6323 386.569 3.6323 0.000000       0.000000 
1 1 1 1  1  38 o 219.990 2.4512 379.538  8.4510  379.538  8.4510  379.538  8.4510  219.990 2.4512 219.990 2.4512 0.000000       0.000000 
1 1 1 1  1  39 o 420.110 4.3957 1384.63  28.943  1384.63  28.943  1384.63  28.943  420.110 4.3957 420.110 4.3957 -0.000000      0.000000 
1 1 1 1  1  40 o 108.172 1.8266 91.806   3.0954  91.806   3.0954  91.806   3.0954  108.172 1.8266 108.172 1.8266 0.000000       0.000000 
1 1 1 1  1  41 o 282.406 3.5234 625.702  15.593  625.702  15.593  625.702  15.593  282.406 3.5234 282.406 3.5234 -0.000000      0.000000 
1 1 1 1  1  42 o 273.510 3.4274 586.913  14.690  586.913  14.690  586.913  14.690  273.510 3.4274 273.510 3.4274 -0.000000      0.000000 
1 1 1 1  1  43 f 21.458  3.4573 3.8805   1.0725  3.8805   1.0725  3.8805   1.0725  21.458  3.4573 21.458  3.4573 -0.000000      0.000000 
1 1 1 1  1  44 o 246.104 3.1342 475.192  12.088  475.192  12.088  475.192  12.088  246.104 3.1342 246.104 3.1342 0.000000       0.000000 
1 1 1 1  1  45 o 102.166 1.8115 81.905   2.8993  81.905   2.8993  81.905   2.8993  102.166 1.8115 102.166 1.8115 -0.000000      0.000000 
1 1 1 1  1  46 o 143.794 2.1083 162.211  4.7501  162.211  4.7501  162.211  4.7501  143.794 2.1083 143.794 2.1083 -0.000000      0.000000 
1 1 1 1  1  47 o 148.226 2.1534 172.367  5.0016  172.367  5.0016  172.367  5.0016  148.226 2.1534 148.226 2.1534 -0.000000      0.000000 
1 1 1 1  1  48 o 126.369 1.9679 125.290  3.8965  125.290  3.8965  125.290  3.8965  126.369 1.9679 126.369 1.9679 -0.000000      0.000000 
1 1 1 1  1  49 o 62.053  1.7804 30.263   1.7287  30.263   1.7287  30.263   1.7287  62.053  1.7804 62.053  1.7804 0.000000       0.000000 
1 1 1 1  1  50 o 325.432 4.0039 831.371  20.420  831.371  20.420  831.371  20.420  325.432 4.0039 325.432 4.0039 0.000000       0.000000 
1 1 1 1  1  51 o 296.269 3.6788 688.989  17.080  688.989  17.080  688.989  17.080  296.269 3.6788 296.269 3.6788 -0.000000      0.000000 
1 1 1 1  1  52 o 407.873 4.9413 1307.03  31.585  1307.03  31.585  1307.03  31.585  407.873 4.9413 407.873 4.9413 0.000000       0.000000 
1 1 1 1  1  53 o 58.890  1.7604 27.264   1.6219  27.264   1.6219  27.264   1.6219  58.890  1.7604 58.890  1.7604 0.000000       0.000000 
1 1 1 1  1  54 o 161.680 2.2533 205.117  5.7087  205.117  5.7087  205.117  5.7087  161.680 2.2533 161.680 2.2533 0.000000       0.000000 
1 1 1 1  1  55 o 46.143  1.8500 16.776   1.3333  16.776   1.3333  16.776   1.3333  46.143  1.8500 46.143  1.8500 0.000000       0.000000 
1 1 1 1  1  56 o 268.503 3.3649 566.173  14.159  566.173  14.159  566.173  14.159  268.503 3.3649 268.503 3.3649 0.000000       0.000000 
1 1 1 1  1  57 o 59.606  1.6385 27.923   1.5284  27.923   1.5284  27.923   1.5284  59.606  1.6385 59.606  1.6385 0.000000       0.000000 
1 1 1 1  1  58 o 46.064  1.9766 16.735   1.4214  16.735   1.4214  16.735   1.4214  46.064  1.9766 46.064  1.9766 0.000000       0.000000 
1 1 1 1  1  59 o 17.054  6.6995 3.1518   1.7172  3.1518   1.7172  3.1518   1.7172  17.054  6.6995 17.054  6.6995 -0.000000      0.000000 
1 1 1 1  1  60 o 70.344  2.8437 39.052   3.1242  39.052   3.1242  39.052   3.1242  70.344  2.8437 70.344  2.8437 -0.000000      0.000000 
1 1 1 1  1  61 o 136.579 3.4935 147.005  7.4689  147.005  7.4689  147.005  7.4689  136.579 3.4935 136.579 3.4935 0.000000       0.000000 
1 1 1 1  1  62 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  63 o 7.0246  4.7015 -0.5153  1.4361  -0.5153  1.4361  -0.5153  1.4361  7.0246  4.7015 7.0246  4.7015 -0.000000      0.000000 
1 1 1 1  1  64 o 120.875 3.1898 115.236  6.0349  115.236  6.0349  115.236  6.0349  120.875 3.1898 120.875 3.1898 0.000000       0.000000 
1 1 1 1  1  65 o 69.418  2.5872 38.042   2.8066  38.042   2.8066  38.042   2.8066  69.418  2.5872 69.418  2.5872 0.000000       0.000000 
1 1 1 1  1  66 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  67 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  68 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  69 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  70 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  71 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  72 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  73 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  75 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 1  1  88 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  0  o 60.392  1.5203 28.642   1.4372  28.642   1.4372  28.642   1.4372  60.392  1.5203 60.392  1.5203 -0.000000      0.000000 
1 1 1 2  0  1  o 1028.24 12.148 8305.18  195.758 8305.18  195.758 8305.18  195.758 1028.24 12.148 1028.24 12.148 0.000000       0.000000 
1 1 1 2  0  2  o 843.488 7.7205 5582.08  102.070 5582.08  102.070 5582.08  102.070 843.488 7.7205 843.488 7.7205 0.000000       0.000000 
1 1 1 2  0  3  o 54.002  1.0411 22.884   0.8807  22.884   0.8807  22.884   0.8807  54.002  1.0411 54.002  1.0411 0.000000       0.000000 
1 1 1 2  0  4  o 401.754 3.4101 1265.61  21.474  1265.61  21.474  1265.61  21.474  401.754 3.4101 401.754 3.4101 0.000000       0.000000 
1 1 1 2  0  5  o 192.774 1.7419 291.369  5.2631  291.369  5.2631  291.369  5.2631  192.774 1.7419 192.774 1.7419 0.000000       0.000000 
1 1 1 2  0  6  o 787.718 6.5830 4867.22  81.279  4867.22  81.279  4867.22  81.279  787.718 6.5830 787.718 6.5830 0.000000       0.000000 
1 1 1 2  0  7  o 792.232 6.6152 4923.20  82.145  4923.20  82.145  4923.20  82.145  792.232 6.6152 792.232 6.6152 0.000000       0.000000 
1 1 1 2  0  8  f 717.006 6.0011 4032.25  67.443  4032.25  67.443  4032.25  67.443  717.006 6.0011 717.006 6.0011 0.000000       0.000000 
1 1 1 2  0  9  o 317.883 2.7266 792.307  13.585  792.307  13.585  792.307  13.585  317.883 2.7266 317.883 2.7266 -0.000000      0.000000 
1 1 1 2  0  10 o 1248.30 11.398 12236.14 223.016 12236.14 223.016 12236.14 223.016 1248.30 11.398 1248.30 11.398 0.000000       0.000000 
1 1 1 2  0  11 o 98.485  1.0803 76.055   1.6674  76.055   1.6674  76.055   1.6674  98.485  1.0803 98.485  1.0803 -0.000000      0.000000 
1 1 1 2  0  12 o 680.416 6.2408 3631.46  66.556  3631.46  66.556  3631.46  66.556  680.416 6.2408 680.416 6.2408 0.000000       0.000000 
1 1 1 2  0  13 o 151.137 1.5824 179.110  3.7483  179.110  3.7483  179.110  3.7483  151.137 1.5824 151.137 1.5824 -0.000000      0.000000 
1 1 1 2  0  14 o 174.843 1.7749 239.701  4.8638  239.701  4.8638  239.701  4.8638  174.843 1.7749 174.843 1.7749 0.000000       0.000000 
1 1 1 2  0  15 o 661.858 5.5478 3435.54  57.553  3435.54  57.553  3435.54  57.553  661.858 5.5478 661.858 5.5478 0.000000       0.000000 
1 1 1 2  0  16 o 144.189 1.4169 163.012  3.2020  163.012  3.2020  163.012  3.2020  144.189 1.4169 144.189 1.4169 0.000000       0.000000 
1 1 1 2  0  17 f 693.538 5.8070 3772.35  63.125  3772.35  63.125  3772.35  63.125  693.538 5.8070 693.538 5.8070 -0.000000      0.000000 
1 1 1 2  0  18 o 770.385 6.4408 4654.99  77.774  4654.99  77.774  4654.99  77.774  770.385 6.4408 770.385 6.4408 0.000000       0.000000 
1 1 1 2  0  19 o 374.956 3.2033 1102.36  18.826  1102.36  18.826  1102.36  18.826  374.956 3.2033 374.956 3.2033 -0.000000      0.000000 
1 1 1 2  0  20 o 76.618  1.2030 46.048   1.4442  46.048   1.4442  46.048   1.4442  76.618  1.2030 76.618  1.2030 -0.000000      0.000000 
1 1 1 2  0  21 o 724.441 6.0677 4116.01  68.899  4116.01  68.899  4116.01  68.899  724.441 6.0677 724.441 6.0677 0.000000       0.000000 
1 1 1 2  0  22 o 768.712 7.0468 4635.20  84.904  4635.20  84.904  4635.20  84.904  768.712 7.0468 768.712 7.0468 -0.000000      0.000000 
1 1 1 2  0  23 o 335.500 2.8958 882.551  15.228  882.551  15.228  882.551  15.228  335.500 2.8958 335.500 2.8958 0.000000       0.000000 
1 1 1 2  0  24 o 791.250 6.6215 4910.51  82.121  4910.51  82.121  4910.51  82.121  791.250 6.6215 791.250 6.6215 -0.000000      0.000000 
1 1 1 2  0  25 o 225.774 2.4966 399.721  8.8340  399.721  8.8340  399.721  8.8340  225.774 2.4966 225.774 2.4966 -0.000000      0.000000 
1 1 1 2  0  26 o 208.589 1.9110 341.139  6.2478  341.139  6.2478  341.139  6.2478  208.589 1.9110 208.589 1.9110 -0.000000      0.000000 
1 1 1 2  0  27 o 493.204 3.8629 1907.32  29.863  1907.32  29.863  1907.32  29.863  493.204 3.8629 493.204 3.8629 0.000000       0.000000 
1 1 1 2  0  28 o 29.686  1.3422 6.9498   0.6217  6.9498   0.6217  6.9498   0.6217  29.686  1.3422 29.686  1.3422 0.000000       0.000000 
1 1 1 2  0  29 o 607.752 4.7336 2896.44  45.094  2896.44  45.094  2896.44  45.094  607.752 4.7336 607.752 4.7336 0.000000       0.000000 
1 1 1 2  0  30 o 133.802 1.2996 140.372  2.7254  140.372  2.7254  140.372  2.7254  133.802 1.2996 133.802 1.2996 -0.000000      0.000000 
1 1 1 2  0  31 o 356.478 3.0741 996.405  17.176  996.405  17.176  996.405  17.176  356.478 3.0741 356.478 3.0741 0.000000       0.000000 
1 1 1 2  0  32 o 652.558 5.4833 3339.85  56.085  3339.85  56.085  3339.85  56.085  652.558 5.4833 652.558 5.4833 -0.000000      0.000000 
1 1 1 2  0  33 o 82.871  1.4656 53.883   1.9026  53.883   1.9026  53.883   1.9026  82.871  1.4656 82.871  1.4656 -0.000000      0.000000 
1 1 1 2  0  34 o 91.996  1.3352 66.382   1.9246  66.382   1.9246  66.382   1.9246  91.996  1.3352 91.996  1.3352 0.000000       0.000000 
1 1 1 2  0  35 o 90.143  1.3358 63.736   1.8868  63.736   1.8868  63.736   1.8868  90.143  1.3358 90.143  1.3358 0.000000       0.000000 
1 1 1 2  0  36 o 388.111 3.6454 1181.31  22.175  1181.31  22.175  1181.31  22.175  388.111 3.6454 388.111 3.6454 -0.000000      0.000000 
1 1 1 2  0  37 o 521.921 4.8354 2136.83  39.556  2136.83  39.556  2136.83  39.556  521.921 4.8354 521.921 4.8354 -0.000000      0.000000 
1 1 1 2  0  38 o 315.153 3.0107 778.906  14.871  778.906  14.871  778.906  14.871  315.153 3.0107 315.153 3.0107 0.000000       0.000000 
1 1 1 2  0  39 o 203.759 2.0771 325.572  6.6332  325.572  6.6332  325.572  6.6332  203.759 2.0771 203.759 2.0771 0.000000       0.000000 
1 1 1 2  0  40 o 97.497  1.3584 74.556   2.0754  74.556   2.0754  74.556   2.0754  97.497  1.3584 97.497  1.3584 0.000000       0.000000 
1 1 1 2  0  41 o 350.197 3.7054 962.080  20.337  962.080  20.337  962.080  20.337  350.197 3.7054 350.197 3.7054 -0.000000      0.000000 
1 1 1 2  0  42 o 410.597 4.2997 1322.86  27.669  1322.86  27.669  1322.86  27.669  410.597 4.2997 410.597 4.2997 0.000000       0.000000 
1 1 1 2  0  43 o 122.606 1.6701 117.908  3.2088  117.908  3.2088  117.908  3.2088  122.606 1.6701 122.606 1.6701 -0.000000      0.000000 
1 1 1 2  0  44 o 52.701  1.8462 21.854   1.5211  21.854   1.5211  21.854   1.5211  52.701  1.8462 52.701  1.8462 -0.000000      0.000000 
1 1 1 2  0  45 o 177.090 2.0881 245.970  5.7951  245.970  5.7951  245.970  5.7951  177.090 2.0881 177.090 2.0881 -0.000000      0.000000 
1 1 1 2  0  46 o 65.571  1.4728 33.756   1.5123  33.756   1.5123  33.756   1.5123  65.571  1.4728 65.571  1.4728 0.000000       0.000000 
1 1 1 2  0  47 o 266.144 2.8963 555.655  12.081  555.655  12.081  555.655  12.081  266.144 2.8963 266.144 2.8963 -0.000000      0.000000 
1 1 1 2  0  48 o 25.944  2.3827 5.4099   0.9503  5.4099   0.9503  5.4099   0.9503  25.944  2.3827 25.944  2.3827 -0.000000      0.000000 
1 1 1 2  0  49 o 265.021 2.8809 551.008  11.966  551.008  11.966  551.008  11.966  265.021 2.8809 265.021 2.8809 -0.000000      0.000000 
1 1 1 2  0  50 o 227.498 2.9223 406.104  10.418  406.104  10.418  406.104  10.418  227.498 2.9223 227.498 2.9223 -0.000000      0.000000 
1 1 1 2  0  51 o 198.832 2.6197 310.195  8.1626  310.195  8.1626  310.195  8.1626  198.832 2.6197 198.832 2.6197 0.000000       0.000000 
1 1 1 2  0  52 o 352.038 5.2974 974.196  29.220  974.196  29.220  974.196  29.220  352.038 5.2974 352.038 5.2974 -0.000000      0.000000 
1 1 1 2  0  53 o 6.3329  4.3701 -1.1338  1.4537  -1.1338  1.4537  -1.1338  1.4537  6.3329  4.3701 6.3329  4.3701 -0.000000      0.000000 
1 1 1 2  0  54 o 21.103  5.2320 4.0788   1.4981  4.0788   1.4981  4.0788   1.4981  21.103  5.2320 21.103  5.2320 0.000000       0.000000 
1 1 1 2  0  55 o 40.963  2.7165 13.336   1.7268  13.336   1.7268  13.336   1.7268  40.963  2.7165 40.963  2.7165 0.000000       0.000000 
1 1 1 2  0  56 o 76.892  2.1509 46.479   2.5881  46.479   2.5881  46.479   2.5881  76.892  2.1509 76.892  2.1509 -0.000000      0.000000 
1 1 1 2  0  57 o 207.318 3.3501 337.731  10.882  337.731  10.882  337.731  10.882  207.318 3.3501 207.318 3.3501 -0.000000      0.000000 
1 1 1 2  0  58 o 23.822  3.9430 4.8084   1.3512  4.8084   1.3512  4.8084   1.3512  23.822  3.9430 23.822  3.9430 -0.000000      0.000000 
1 1 1 2  0  59 f 6.2737  4.2202 -0.5049  1.1842  -0.5049  1.1842  -0.5049  1.1842  6.2737  4.2202 6.2737  4.2202 0.000000       0.000000 
1 1 1 2  0  60 o 20.609  4.4095 3.7637   1.2513  3.7637   1.2513  3.7637   1.2513  20.609  4.4095 20.609  4.4095 0.000000       0.000000 
1 1 1 2  0  61 o 95.661  2.1029 71.923   3.1501  71.923   3.1501  71.923   3.1501  95.661  2.1029 95.661  2.1029 -0.000000      0.000000 
1 1 1 2  0  62 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  63 o 33.963  2.4301 9.1986   1.2787  9.1986   1.2787  9.1986   1.2787  33.963  2.4301 33.963  2.4301 0.000000       0.000000 
1 1 1 2  0  64 o 54.725  1.9153 23.596   1.6386  23.596   1.6386  23.596   1.6386  54.725  1.9153 54.725  1.9153 0.000000       0.000000 
1 1 1 2  0  65 o 43.416  2.4851 14.960   1.6788  14.960   1.6788  14.960   1.6788  43.416  2.4851 43.416  2.4851 0.000000       0.000000 
1 1 1 2  0  66 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  67 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  68 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  69 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  70 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  71 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  72 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  73 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  75 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  0  88 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  0  o 84.550  1.0174 56.059   1.3481  56.059   1.3481  56.059   1.3481  84.550  1.0174 84.550  1.0174 0.000000       0.000000 
1 1 1 2  1  1  o 675.589 4.0010 3578.95  42.375  3589.18  60.162  3568.87  59.695  676.423 5.6735 674.509 5.6454 1.913452       8.003724 
1 1 1 2  1  2  o 865.077 5.3374 5869.89  72.383  6045.27  110.775 5739.21  95.621  877.523 8.0524 855.164 7.1326 22.35931       10.75713 
1 1 1 2  1  3  o 351.120 2.1243 966.453  11.693  965.877  16.529  967.031  16.543  350.996 3.0039 351.206 3.0048 -0.2095642     4.248797 
1 1 1 2  1  4  f 524.474 3.1202 2156.62  25.654  2193.70  36.918  2121.99  35.674  528.901 4.4526 520.188 4.3746 8.712036       6.242030 
1 1 1 2  1  5  o 345.335 2.0910 934.871  11.320  964.942  16.526  908.289  15.538  350.826 3.0049 340.374 2.9119 10.45236       4.184325 
1 1 1 2  1  6  o 508.939 3.1681 2030.76  25.277  2021.84  34.076  2041.69  37.689  507.768 4.2809 510.231 4.7119 -2.462646      6.366173 
1 1 1 2  1  7  o 1142.33 7.7755 10243.24 139.243 10181.67 207.512 10293.66 187.798 1137.88 11.633 1144.47 10.467 -6.592529      15.64906 
1 1 1 2  1  8  o 604.591 3.5908 2866.03  34.033  2857.26  47.962  2874.93  48.300  603.573 5.0690 605.434 5.0889 -1.861328      7.182699 
1 1 1 2  1  9  o 128.585 0.8828 129.603  1.7796  132.165  2.4536  126.760  2.5849  129.849 1.2054 127.166 1.2966 2.682999       1.770338 
1 1 1 2  1  10 o 1345.13 8.6844 14207.55 183.128 14249.71 259.746 14165.89 258.226 1345.92 12.311 1341.97 12.274 3.950562       17.38425 
1 1 1 2  1  11 o 479.273 2.8624 1800.83  21.506  1797.70  30.327  1803.99  30.502  478.811 4.0403 479.647 4.0565 -0.8358154     5.725305 
1 1 1 2  1  12 o 458.861 2.7428 1650.67  19.730  1667.77  28.191  1634.26  27.623  461.190 3.8992 456.535 3.8596 4.654053       5.486373 
1 1 1 2  1  13 o 291.798 1.9637 667.464  8.9829  665.467  14.175  668.805  11.612  291.342 3.1036 292.083 2.5361 -0.7404175     4.008000 
1 1 1 2  1  14 o 238.827 1.6438 447.112  6.1543  446.483  9.7306  447.532  7.9452  238.648 2.6009 238.934 2.1211 -0.2861938     3.356208 
1 1 1 2  1  15 o 123.833 0.9522 120.200  1.8484  116.889  3.0285  122.165  2.3335  122.113 1.5820 124.840 1.1923 -2.726898      1.981001 
1 1 1 2  1  16 o 670.526 4.1494 3525.44  43.617  3528.83  72.380  3523.50  54.655  670.635 6.8846 670.272 5.2015 0.3625488      8.628633 
1 1 1 2  1  17 o 531.387 3.4688 2213.87  28.896  2240.94  46.281  2196.57  36.993  534.524 5.5231 529.264 4.4585 5.260010       7.098074 
1 1 1 2  1  18 o 443.301 2.9132 1540.61  20.245  1539.53  31.988  1541.34  26.149  443.089 4.6052 443.380 3.7620 -0.2914124     5.946448 
1 1 1 2  1  19 o 377.794 2.5028 1118.89  14.823  1133.66  23.766  1109.49  18.963  380.244 3.9870 376.189 3.2155 4.054932       5.122018 
1 1 1 2  1  20 o 247.479 1.6251 480.089  6.3049  478.535  10.443  480.981  7.9091  247.067 2.6962 247.705 2.0367 -0.6380005     3.379019 
1 1 1 2  1  21 o 257.206 1.7664 518.575  7.1225  526.506  13.256  515.356  8.4451  259.147 3.2629 256.404 2.1010 2.743866       3.880847 
1 1 1 2  1  22 o 392.539 2.5989 1207.93  15.993  1218.56  25.578  1201.11  20.493  394.225 4.1387 391.413 3.3398 2.811798       5.318191 
1 1 1 2  1  23 o 717.362 4.9079 4035.46  55.194  3967.30  81.305  4093.72  75.167  711.087 7.2936 722.388 6.6375 -11.30121      9.861697 
1 1 1 2  1  24 o 654.569 4.2563 3359.54  43.676  3331.52  68.443  3378.78  56.727  651.673 6.6995 656.367 5.5130 -4.693970      8.676243 
1 1 1 2  1  25 o 490.026 3.2132 1882.55  24.684  1854.09  44.386  1895.29  29.700  486.201 5.8234 491.660 3.8533 -5.459106      6.982881 
1 1 1 2  1  26 o 592.924 3.8657 2756.42  35.932  2734.52  56.325  2771.45  46.660  590.440 6.0852 594.481 5.0067 -4.040894      7.880146 
1 1 1 2  1  27 o 569.401 3.5434 2541.99  31.630  2493.49  45.988  2585.53  43.572  563.857 5.2026 574.190 4.8406 -10.33350      7.106218 
1 1 1 2  1  28 o 460.349 2.7641 1661.39  19.948  1673.64  31.175  1652.90  25.957  461.988 4.3045 459.144 3.6062 2.843658       5.615497 
1 1 1 2  1  29 o 475.052 2.8508 1769.21  21.231  1779.12  33.099  1762.29  27.674  476.322 4.4326 474.092 3.7235 2.229462       5.789002 
1 1 1 2  1  30 o 529.532 3.0450 2198.35  25.278  2192.80  40.608  2201.86  32.298  528.778 4.8987 529.921 3.8879 -1.143494      6.254072 
1 1 1 2  1  31 o 308.664 1.9093 746.849  9.2388  751.164  13.146  742.637  12.986  309.541 2.7092 307.780 2.6915 1.761536       3.818860 
1 1 1 2  1  32 o 627.040 3.8959 3083.02  38.296  3090.04  51.979  3074.69  56.637  627.656 5.2827 626.053 5.7708 1.602600       7.823609 
1 1 1 2  1  33 o 298.680 1.9406 699.326  9.0866  684.680  12.045  718.667  13.842  295.524 2.6000 302.763 2.9164 -7.239075      3.907071 
1 1 1 2  1  34 o 204.489 1.4128 327.784  4.5290  323.654  6.0579  333.018  6.8195  203.192 1.9018 206.108 2.1106 -2.915802      2.841027 
1 1 1 2  1  35 o 135.322 1.0724 143.542  2.2750  143.359  3.0764  143.763  3.3797  135.234 1.4511 135.423 1.5920 -0.1895905     2.154093 
1 1 1 2  1  36 o 245.226 1.6357 471.407  6.2883  469.438  8.4815  473.811  9.3709  244.703 2.2109 245.836 2.4316 -1.132492      3.286440 
1 1 1 2  1  37 o 86.112  0.9151 58.126   1.2353  57.003   1.6513  59.552   1.8614  85.275  1.2352 87.161  1.3623 -1.885559      1.838937 
1 1 1 2  1  38 o 296.486 1.9288 689.136  8.9648  692.043  12.192  685.715  13.228  297.089 2.6178 295.719 2.8533 1.370087       3.872213 
1 1 1 2  1  39 o 354.804 2.2688 987.000  12.619  978.268  16.933  997.908  18.926  353.192 3.0582 356.701 3.3845 -3.508270      4.561514 
1 1 1 2  1  40 o 58.686  1.0919 26.997   1.0045  26.724   1.2378  27.524   1.7190  58.387  1.3524 59.252  1.8506 -0.8652534     2.292097 
1 1 1 2  1  41 o 452.371 2.9896 1605.09  21.202  1619.59  27.610  1584.25  33.097  454.309 3.8768 449.208 4.6998 5.100189       6.092432 
1 1 1 2  1  42 o 300.668 2.0458 708.795  9.6429  709.447  12.415  707.804  15.310  300.778 2.6330 300.392 3.2510 0.3855286      4.183528 
1 1 1 2  1  43 o 138.795 1.1355 151.011  2.4707  149.785  3.1057  153.125  4.0777  138.226 1.4332 139.751 1.8612 -1.525497      2.349110 
1 1 1 2  1  44 o 193.297 1.4180 292.915  4.2969  291.799  5.4733  294.708  6.9372  192.919 1.8098 193.864 2.2826 -0.9449310     2.912994 
1 1 1 2  1  45 o 228.298 1.9539 408.657  6.9928  402.187  10.511  413.795  9.3664  226.438 2.9609 229.701 2.6011 -3.262863      3.941171 
1 1 1 2  1  46 o 397.283 3.4176 1238.36  21.285  1251.64  30.433  1225.64  29.780  399.209 4.8628 395.051 4.8087 4.158539       6.838862 
1 1 1 2  1  47 o 91.028  1.3230 64.959   1.8880  65.590   2.6923  64.349   2.6484  91.462  1.8777 90.593  1.8648 0.8688431      2.646347 
1 1 1 2  1  48 o 144.402 1.5455 163.481  3.4987  160.358  4.8923  166.750  5.0056  143.001 2.1823 145.823 2.1897 -2.821930      3.091449 
1 1 1 2  1  49 o 238.512 2.1810 446.114  8.1548  452.202  11.692  440.348  11.380  240.076 3.1066 236.912 3.0640 3.164429       4.363366 
1 1 1 2  1  50 o 163.137 1.6555 208.665  4.2339  213.775  6.1233  203.985  5.8606  165.097 2.3659 161.274 2.3181 3.823013       3.312212 
1 1 1 2  1  51 o 320.206 2.8056 804.391  14.083  802.880  19.898  805.907  19.936  319.763 3.9694 320.365 3.9695 -0.6021118     5.613665 
1 1 1 2  1  52 o 160.979 1.6427 203.191  4.1456  201.201  5.8375  205.216  5.8883  160.162 2.3250 161.752 2.3221 -1.590027      3.285981 
1 1 1 2  1  53 o 286.070 2.5403 642.015  11.392  641.811  16.133  642.217  16.090  285.899 3.5995 285.991 3.5887 -0.9194946E-01 5.082877 
1 1 1 2  1  54 o 203.286 1.9210 324.100  6.1219  322.564  8.6483  325.643  8.6670  202.747 2.7209 203.713 2.7139 -0.9659729     3.843036 
1 1 1 2  1  55 o 289.543 2.5644 657.862  11.640  664.119  16.638  651.864  16.290  290.750 3.6502 288.063 3.6074 2.687561       5.131966 
1 1 1 2  1  56 o 51.084  1.3846 20.463   1.1089  20.604   1.6238  20.339   1.5179  51.250  2.0211 50.921  1.9015 0.3285828      2.774948 
1 1 1 2  1  57 f 200.316 2.0680 314.830  6.4940  313.283  10.268  315.861  8.3835  199.676 3.2803 200.579 2.6662 -0.9031525     4.227169 
1 1 1 2  1  58 o 77.728  1.3278 47.379   1.6180  46.048   2.5970  48.223   2.0685  76.599  2.1627 78.406  1.6829 -1.807076      2.740320 
1 1 1 2  1  59 o 43.583  1.4413 14.898   0.9848  15.664   1.6766  14.495   1.2168  44.599  2.4069 42.981  1.8059 1.618191       3.009065 
1 1 1 2  1  60 o 130.540 1.7626 133.719  3.6070  137.304  5.1384  130.236  5.0646  132.206 2.4793 128.755 2.5091 3.451233       3.527394 
1 1 1 2  1  61 o 101.415 1.5748 80.699   2.5037  80.372   3.4664  81.056   3.6201  101.162 2.1858 101.584 2.2732 -0.4219666     3.153604 
1 1 1 2  1  62 o 96.563  2.8725 73.364   4.3483  73.364   4.3483  0.0000   0.0000  96.563  2.8725 ?       ?      0.000000       2.872501 
1 1 1 2  1  63 o 114.798 1.6248 103.437  2.9241  106.137  4.1157  100.685  4.1552  116.214 2.2591 113.179 2.3419 3.034676       3.253920 
1 1 1 2  1  64 o 115.737 1.6215 105.149  2.9420  105.116  4.0716  105.185  4.2558  115.641 2.2459 115.664 2.3471 -0.2310181E-01 3.248553 
1 1 1 2  1  65 o 28.848  2.0532 6.5729   0.9225  5.9904   1.0588  8.4085   1.8795  27.482  2.4845 32.399  3.7709 -4.917246      4.515803 
1 1 1 2  1  66 o 126.253 2.4094 125.421  4.7687  122.739  6.6947  128.184  6.7943  124.653 3.4259 127.394 3.4021 -2.741432      4.828149 
1 1 1 2  1  67 o 31.372  2.7251 7.8127   1.3269  9.4468   1.9911  6.5072   1.7797  34.345  3.7595 28.357  4.1243 5.988495       5.580659 
1 1 1 2  1  68 o 62.130  1.9815 30.347   1.9300  31.426   2.8557  29.441   2.6184  63.119  2.8860 61.113  2.7331 2.005928       3.974786 
1 1 1 2  1  69 o 48.194  2.0447 18.268   1.5448  19.061   2.2681  17.582   2.1099  49.050  2.9635 47.118  2.8701 1.932682       4.125509 
1 1 1 2  1  70 o 30.469  2.4739 7.3635   1.1715  7.3712   1.7454  7.3571   1.5804  30.256  3.7609 30.302  3.3847 -0.4678726E-01 5.059713 
1 1 1 2  1  71 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  72 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  73 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  75 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  1  88 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  0  o 119.768 1.5575 112.495  2.9232  112.495  2.9232  112.495  2.9232  119.768 1.5575 119.768 1.5575 0.000000       0.000000 
1 1 1 2  2  1  o 319.254 2.3916 799.097  11.968  799.097  11.968  799.097  11.968  319.254 2.3916 319.254 2.3916 -0.000000      0.000000 
1 1 1 2  2  2  o 628.818 4.5733 3100.65  45.077  3100.65  45.077  3100.65  45.077  628.818 4.5733 628.818 4.5733 0.000000       0.000000 
1 1 1 2  2  3  o 50.636  0.8888 20.116   0.7050  20.116   0.7050  20.116   0.7050  50.636  0.8888 50.636  0.8888 0.000000       0.000000 
1 1 1 2  2  4  o 677.481 5.2586 3599.49  55.842  3599.49  55.842  3599.49  55.842  677.481 5.2586 677.481 5.2586 -0.000000      0.000000 
1 1 1 2  2  5  o 428.315 3.6410 1438.51  24.444  1438.51  24.444  1438.51  24.444  428.315 3.6410 428.315 3.6410 0.000000       0.000000 
1 1 1 2  2  6  o 1173.85 9.0620 10813.25 166.736 10813.25 166.736 10813.25 166.736 1173.85 9.0620 1173.85 9.0620 0.000000       0.000000 
1 1 1 2  2  7  o 112.130 1.1366 98.585   1.9976  98.585   1.9976  98.585   1.9976  112.130 1.1366 112.130 1.1366 0.000000       0.000000 
1 1 1 2  2  8  o 17.064  1.3893 2.3274   0.3660  2.3274   0.3660  2.3274   0.3660  17.064  1.3893 17.064  1.3893 -0.000000      0.000000 
1 1 1 2  2  9  o 500.637 4.2329 1965.42  33.216  1965.42  33.216  1965.42  33.216  500.637 4.2329 500.637 4.2329 0.000000       0.000000 
1 1 1 2  2  10 o 1018.49 8.5092 8139.48  135.841 8139.48  135.841 8139.48  135.841 1018.49 8.5092 1018.49 8.5092 -0.000000      0.000000 
1 1 1 2  2  11 o 732.877 5.6787 4212.37  65.234  4212.37  65.234  4212.37  65.234  732.877 5.6787 732.877 5.6787 -0.000000      0.000000 
1 1 1 2  2  12 o 124.919 1.3220 122.358  2.5882  122.358  2.5882  122.358  2.5882  124.919 1.3220 124.919 1.3220 0.000000       0.000000 
1 1 1 2  2  13 o 48.544  1.0512 18.497   0.7991  18.497   0.7991  18.497   0.7991  48.544  1.0512 48.544  1.0512 -0.000000      0.000000 
1 1 1 2  2  14 o 44.603  1.0708 15.621   0.7478  15.621   0.7478  15.621   0.7478  44.603  1.0708 44.603  1.0708 -0.000000      0.000000 
1 1 1 2  2  15 o 513.615 4.3386 2068.62  34.928  2068.62  34.928  2068.62  34.928  513.615 4.3386 513.615 4.3386 -0.000000      0.000000 
1 1 1 2  2  16 o 358.260 2.8504 1006.33  16.006  1006.33  16.006  1006.33  16.006  358.260 2.8504 358.260 2.8504 -0.000000      0.000000 
1 1 1 2  2  17 o 640.475 4.9774 3216.75  49.969  3216.75  49.969  3216.75  49.969  640.475 4.9774 640.475 4.9774 -0.000000      0.000000 
1 1 1 2  2  18 o 89.947  1.1394 63.447   1.6060  63.447   1.6060  63.447   1.6060  89.947  1.1394 89.947  1.1394 0.000000       0.000000 
1 1 1 2  2  19 o 672.163 6.1790 3543.61  65.097  3543.61  65.097  3543.61  65.097  672.163 6.1790 672.163 6.1790 0.000000       0.000000 
1 1 1 2  2  20 o 1102.18 9.1970 9531.76  158.885 9531.76  158.885 9531.76  158.885 1102.18 9.1970 1102.18 9.1970 0.000000       0.000000 
1 1 1 2  2  21 o 233.334 2.0951 426.878  7.6622  426.878  7.6622  426.878  7.6622  233.334 2.0951 233.334 2.0951 0.000000       0.000000 
1 1 1 2  2  22 f 77.610  1.0987 47.241   1.3362  47.241   1.3362  47.241   1.3362  77.610  1.0987 77.610  1.0987 0.000000       0.000000 
1 1 1 2  2  23 o 642.805 6.6211 3241.19  66.705  3241.19  66.705  3241.19  66.705  642.805 6.6211 642.805 6.6211 0.000000       0.000000 
1 1 1 2  2  24 o 482.491 4.4796 1825.57  33.876  1825.57  33.876  1825.57  33.876  482.491 4.4796 482.491 4.4796 0.000000       0.000000 
1 1 1 2  2  25 o 237.073 2.3459 440.696  8.7167  440.696  8.7167  440.696  8.7167  237.073 2.3459 237.073 2.3459 -0.000000      0.000000 
1 1 1 2  2  26 o 428.430 5.1558 1439.76  34.617  1439.76  34.617  1439.76  34.617  428.430 5.1558 428.430 5.1558 -0.000000      0.000000 
1 1 1 2  2  27 o 245.942 2.4257 474.288  9.3503  474.288  9.3503  474.288  9.3503  245.942 2.4257 245.942 2.4257 0.000000       0.000000 
1 1 1 2  2  28 o 245.739 2.4223 473.509  9.3295  473.509  9.3295  473.509  9.3295  245.739 2.4223 245.739 2.4223 0.000000       0.000000 
1 1 1 2  2  29 o 593.119 5.4762 2759.12  50.908  2759.12  50.908  2759.12  50.908  593.119 5.4762 593.119 5.4762 0.000000       0.000000 
1 1 1 2  2  30 o 180.032 1.9044 254.148  5.3734  254.148  5.3734  254.148  5.3734  180.032 1.9044 180.032 1.9044 0.000000       0.000000 
1 1 1 2  2  31 o 552.416 5.1157 2393.40  44.293  2393.40  44.293  2393.40  44.293  552.416 5.1157 552.416 5.1157 -0.000000      0.000000 
1 1 1 2  2  32 o 670.394 6.1735 3525.55  64.868  3525.55  64.868  3525.55  64.868  670.394 6.1735 670.394 6.1735 -0.000000      0.000000 
1 1 1 2  2  33 o 447.724 3.8181 1571.94  26.794  1571.94  26.794  1571.94  26.794  447.724 3.8181 447.724 3.8181 -0.000000      0.000000 
1 1 1 2  2  34 o 277.624 2.4687 604.345  10.742  604.345  10.742  604.345  10.742  277.624 2.4687 277.624 2.4687 -0.000000      0.000000 
1 1 1 2  2  35 f 447.497 3.5313 1570.31  24.770  1570.31  24.770  1570.31  24.770  447.497 3.5313 447.497 3.5313 -0.000000      0.000000 
1 1 1 2  2  36 o 19.260  2.0392 3.0044   0.5999  3.0044   0.5999  3.0044   0.5999  19.260  2.0392 19.260  2.0392 -0.000000      0.000000 
1 1 1 2  2  37 o 370.681 2.9610 1077.46  17.204  1077.46  17.204  1077.46  17.204  370.681 2.9610 370.681 2.9610 -0.000000      0.000000 
1 1 1 2  2  38 o 38.065  1.1943 11.392   0.7111  11.392   0.7111  11.392   0.7111  38.065  1.1943 38.065  1.1943 0.000000       0.000000 
1 1 1 2  2  39 o 332.480 2.6864 866.839  14.000  866.839  14.000  866.839  14.000  332.480 2.6864 332.480 2.6864 -0.000000      0.000000 
1 1 1 2  2  40 o 190.263 2.0228 283.885  6.0319  283.885  6.0319  283.885  6.0319  190.263 2.0228 190.263 2.0228 0.000000       0.000000 
1 1 1 2  2  41 o 30.248  2.1037 7.2764   0.9865  7.2764   0.9865  7.2764   0.9865  30.248  2.1037 30.248  2.1037 0.000000       0.000000 
1 1 1 2  2  42 o 363.463 3.4588 1036.28  19.704  1036.28  19.704  1036.28  19.704  363.463 3.4588 363.463 3.4588 -0.000000      0.000000 
1 1 1 2  2  43 o 163.382 1.8399 209.345  4.7111  209.345  4.7111  209.345  4.7111  163.382 1.8399 163.382 1.8399 -0.000000      0.000000 
1 1 1 2  2  44 o 104.502 1.5079 85.662   2.4692  85.662   2.4692  85.662   2.4692  104.502 1.5079 104.502 1.5079 0.000000       0.000000 
1 1 1 2  2  45 o 24.636  2.6955 4.9274   1.0093  4.9274   1.0093  4.9274   1.0093  24.636  2.6955 24.636  2.6955 0.000000       0.000000 
1 1 1 2  2  46 o 29.382  2.3470 6.8973   1.0652  6.8973   1.0652  6.8973   1.0652  29.382  2.3470 29.382  2.3470 -0.000000      0.000000 
1 1 1 2  2  47 o 90.266  1.6239 63.937   2.2963  63.937   2.2963  63.937   2.2963  90.266  1.6239 90.266  1.6239 -0.000000      0.000000 
1 1 1 2  2  48 o 127.482 2.1445 127.529  4.2831  127.529  4.2831  127.529  4.2831  127.482 2.1445 127.482 2.1445 0.000000       0.000000 
1 1 1 2  2  49 o 299.541 4.6095 704.732  21.634  704.732  21.634  704.732  21.634  299.541 4.6095 299.541 4.6095 0.000000       0.000000 
1 1 1 2  2  50 o 346.575 5.2490 943.910  28.504  943.910  28.504  943.910  28.504  346.575 5.2490 346.575 5.2490 -0.000000      0.000000 
1 1 1 2  2  51 o 111.412 2.4616 97.481   4.2947  97.481   4.2947  97.481   4.2947  111.412 2.4616 111.412 2.4616 -0.000000      0.000000 
1 1 1 2  2  52 o 197.064 3.3029 304.924  10.197  304.924  10.197  304.924  10.197  197.064 3.3029 197.064 3.3029 0.000000       0.000000 
1 1 1 2  2  53 o 101.380 2.4191 80.742   3.8397  80.742   3.8397  80.742   3.8397  101.380 2.4191 101.380 2.4191 0.000000       0.000000 
1 1 1 2  2  54 o 9.0078  5.6402 0.3456   1.6441  0.3456   1.6441  0.3456   1.6441  9.0078  5.6402 9.0078  5.6402 0.000000       0.000000 
1 1 1 2  2  55 o 253.500 3.9990 505.036  15.883  505.036  15.883  505.036  15.883  253.500 3.9990 253.500 3.9990 0.000000       0.000000 
1 1 1 2  2  56 o 18.083  6.2227 3.3441   1.5871  3.3441   1.5871  3.3441   1.5871  18.083  6.2227 18.083  6.2227 -0.000000      0.000000 
1 1 1 2  2  57 o 282.745 4.3870 629.045  19.435  629.045  19.435  629.045  19.435  282.745 4.3870 282.745 4.3870 -0.000000      0.000000 
1 1 1 2  2  58 o 41.624  2.7931 13.783   1.8037  13.783   1.8037  13.783   1.8037  41.624  2.7931 41.624  2.7931 -0.000000      0.000000 
1 1 1 2  2  59 o 30.203  3.3007 7.4195   1.5154  7.4195   1.5154  7.4195   1.5154  30.203  3.3007 30.203  3.3007 0.000000       0.000000 
1 1 1 2  2  60 o 12.943  5.4717 1.8696   1.1225  1.8696   1.1225  1.8696   1.1225  12.943  5.4717 12.943  5.4717 -0.000000      0.000000 
1 1 1 2  2  61 o 87.404  1.8245 60.018   2.4975  60.018   2.4975  60.018   2.4975  87.404  1.8245 87.404  1.8245 -0.000000      0.000000 
1 1 1 2  2  62 o 142.274 2.6180 159.196  5.8346  159.196  5.8346  159.196  5.8346  142.274 2.6180 142.274 2.6180 -0.000000      0.000000 
1 1 1 2  2  63 o 104.356 1.8613 85.555   3.0429  85.555   3.0429  85.555   3.0429  104.356 1.8613 104.356 1.8613 -0.000000      0.000000 
1 1 1 2  2  64 o 10.024  5.2301 1.1587   1.0747  1.1587   1.0747  1.1587   1.0747  10.024  5.2301 10.024  5.2301 -0.000000      0.000000 
1 1 1 2  2  65 o 46.675  2.0687 17.211   1.5069  17.211   1.5069  17.211   1.5069  46.675  2.0687 46.675  2.0687 0.000000       0.000000 
1 1 1 2  2  66 o 81.655  3.2103 52.778   4.0950  52.778   4.0950  52.778   4.0950  81.655  3.2103 81.655  3.2103 -0.000000      0.000000 
1 1 1 2  2  67 o 118.568 3.4687 111.215  6.4351  111.215  6.4351  111.215  6.4351  118.568 3.4687 118.568 3.4687 -0.000000      0.000000 
1 1 1 2  2  68 o 90.172  3.2070 64.368   4.5204  64.368   4.5204  64.368   4.5204  90.172  3.2070 90.172  3.2070 -0.000000      0.000000 
1 1 1 2  2  69 o 108.768 3.3133 93.654   5.6377  93.654   5.6377  93.654   5.6377  108.768 3.3133 108.768 3.3133 0.000000       0.000000 
1 1 1 2  2  70 o 30.383  4.5601 7.8024   2.0278  7.8024   2.0278  7.8024   2.0278  30.383  4.5601 30.383  4.5601 0.000000       0.000000 
1 1 1 2  2  71 o 8.0692  5.3253 -0.3181  1.7371  -0.3181  1.7371  -0.3181  1.7371  8.0692  5.3253 8.0692  5.3253 -0.000000      0.000000 
1 1 1 2  2  72 o 49.151  3.2747 19.361   2.4976  19.361   2.4976  19.361   2.4976  49.151  3.2747 49.151  3.2747 0.000000       0.000000 
1 1 1 2  2  73 f 67.119  3.0040 35.833   3.1465  35.833   3.1465  35.833   3.1465  67.119  3.0040 67.119  3.0040 0.000000       0.000000 
1 1 1 2  2  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  75 o 39.451  3.2505 12.601   1.9789  12.601   1.9789  12.601   1.9789  39.451  3.2505 39.451  3.2505 -0.000000      0.000000 
1 1 1 2  2  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 2  2  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  0  o 657.538 9.5504 3392.94  98.399  3392.94  98.399  3392.94  98.399  657.538 9.5504 657.538 9.5504 0.000000       0.000000 
1 1 1 3  0  1  o 373.680 3.9169 1095.08  22.939  1095.08  22.939  1095.08  22.939  373.680 3.9169 373.680 3.9169 0.000000       0.000000 
1 1 1 3  0  2  o 381.330 3.5628 1140.26  21.294  1140.26  21.294  1140.26  21.294  381.330 3.5628 381.330 3.5628 0.000000       0.000000 
1 1 1 3  0  3  o 55.599  1.0246 24.255   0.8924  24.255   0.8924  24.255   0.8924  55.599  1.0246 55.599  1.0246 -0.000000      0.000000 
1 1 1 3  0  4  o 388.797 3.3104 1185.28  20.174  1185.28  20.174  1185.28  20.174  388.797 3.3104 388.797 3.3104 0.000000       0.000000 
1 1 1 3  0  5  f 86.358  1.0552 58.484   1.4281  58.484   1.4281  58.484   1.4281  86.358  1.0552 86.358  1.0552 0.000000       0.000000 
1 1 1 3  0  6  o 352.609 3.0204 974.886  16.693  974.886  16.693  974.886  16.693  352.609 3.0204 352.609 3.0204 -0.000000      0.000000 
1 1 1 3  0  7  o 1213.12 11.090 11555.38 210.862 11555.38 210.862 11555.38 210.862 1213.12 11.090 1213.12 11.090 0.000000       0.000000 
1 1 1 3  0  8  o 957.653 8.7551 7196.97  131.413 7196.97  131.413 7196.97  131.413 957.653 8.7551 957.653 8.7551 -0.000000      0.000000 
1 1 1 3  0  9  o 778.127 6.5133 4749.36  79.439  4749.36  79.439  4749.36  79.439  778.127 6.5133 778.127 6.5133 0.000000       0.000000 
1 1 1 3  0  10 o 348.272 2.9859 951.048  16.299  951.048  16.299  951.048  16.299  348.272 2.9859 348.272 2.9859 -0.000000      0.000000 
1 1 1 3  0  11 o 308.709 2.6672 747.231  12.906  747.231  12.906  747.231  12.906  308.709 2.6672 308.709 2.6672 -0.000000      0.000000 
1 1 1 3  0  12 o 394.945 3.3607 1223.06  20.804  1223.06  20.804  1223.06  20.804  394.945 3.3607 394.945 3.3607 -0.000000      0.000000 
1 1 1 3  0  13 o 139.623 1.3849 152.854  3.0307  152.854  3.0307  152.854  3.0307  139.623 1.3849 139.623 1.3849 -0.000000      0.000000 
1 1 1 3  0  14 o 149.985 1.4584 176.380  3.4284  176.380  3.4284  176.380  3.4284  149.985 1.4584 149.985 1.4584 -0.000000      0.000000 
1 1 1 3  0  15 o 299.647 2.5980 704.001  12.202  704.001  12.202  704.001  12.202  299.647 2.5980 299.647 2.5980 -0.000000      0.000000 
1 1 1 3  0  16 o 417.664 3.5477 1367.82  23.225  1367.82  23.225  1367.82  23.225  417.664 3.5477 417.664 3.5477 -0.000000      0.000000 
1 1 1 3  0  17 o 756.274 6.3254 4485.95  74.981  4485.95  74.981  4485.95  74.981  756.274 6.3254 756.274 6.3254 -0.000000      0.000000 
1 1 1 3  0  18 o 23.192  1.3272 4.2573   0.4789  4.2573   0.4789  4.2573   0.4789  23.192  1.3272 23.192  1.3272 -0.000000      0.000000 
1 1 1 3  0  19 o 377.910 3.5418 1119.87  20.979  1119.87  20.979  1119.87  20.979  377.910 3.5418 377.910 3.5418 -0.000000      0.000000 
1 1 1 3  0  20 o 437.065 3.7170 1497.85  25.464  1497.85  25.464  1497.85  25.464  437.065 3.7170 437.065 3.7170 -0.000000      0.000000 
1 1 1 3  0  21 o 840.237 6.5061 5537.10  85.688  5537.10  85.688  5537.10  85.688  840.237 6.5061 840.237 6.5061 -0.000000      0.000000 
1 1 1 3  0  22 f 248.186 2.0478 482.931  7.9662  482.931  7.9662  482.931  7.9662  248.186 2.0478 248.186 2.0478 -0.000000      0.000000 
1 1 1 3  0  23 o 50.386  1.5260 19.955   1.2028  19.955   1.2028  19.955   1.2028  50.386  1.5260 50.386  1.5260 0.000000       0.000000 
1 1 1 3  0  24 o 353.572 3.0500 980.200  16.903  980.200  16.903  980.200  16.903  353.572 3.0500 353.572 3.0500 0.000000       0.000000 
1 1 1 3  0  25 o 95.254  1.4917 71.174   2.2262  71.174   2.2262  71.174   2.2262  95.254  1.4917 95.254  1.4917 -0.000000      0.000000 
1 1 1 3  0  26 o 308.711 3.2946 747.353  15.940  747.353  15.940  747.353  15.940  308.711 3.2946 308.711 3.2946 -0.000000      0.000000 
1 1 1 3  0  27 f 815.185 6.8241 5212.44  87.194  5212.44  87.194  5212.44  87.194  815.185 6.8241 815.185 6.8241 -0.000000      0.000000 
1 1 1 3  0  28 o 363.452 3.1347 1035.77  17.858  1035.77  17.858  1035.77  17.858  363.452 3.1347 363.452 3.1347 -0.000000      0.000000 
1 1 1 3  0  29 o 695.689 5.8424 3795.91  63.708  3795.91  63.708  3795.91  63.708  695.689 5.8424 695.689 5.8424 -0.000000      0.000000 
1 1 1 3  0  30 o 14.314  3.3865 1.8513   0.6598  1.8513   0.6598  1.8513   0.6598  14.314  3.3865 14.314  3.3865 -0.000000      0.000000 
1 1 1 3  0  31 o 397.117 3.4107 1236.58  21.229  1236.58  21.229  1236.58  21.229  397.117 3.4107 397.117 3.4107 -0.000000      0.000000 
1 1 1 3  0  32 o 1453.93 12.141 16606.62 276.682 16606.62 276.682 16606.62 276.682 1453.93 12.141 1453.93 12.141 -0.000000      0.000000 
1 1 1 3  0  33 o 26.446  2.4968 5.6277   1.0139  5.6277   1.0139  5.6277   1.0139  26.446  2.4968 26.446  2.4968 -0.000000      0.000000 
1 1 1 3  0  34 o 925.186 7.7378 6717.33  112.210 6717.33  112.210 6717.33  112.210 925.186 7.7378 925.186 7.7378 0.000000       0.000000 
1 1 1 3  0  35 o 251.725 2.2806 496.849  8.9980  496.849  8.9980  496.849  8.9980  251.725 2.2806 251.725 2.2806 0.000000       0.000000 
1 1 1 3  0  36 o 115.745 1.3875 105.059  2.5168  105.059  2.5168  105.059  2.5168  115.745 1.3875 115.745 1.3875 -0.000000      0.000000 
1 1 1 3  0  37 o 493.238 4.1949 1908.15  32.431  1908.15  32.431  1908.15  32.431  493.238 4.1949 493.238 4.1949 0.000000       0.000000 
1 1 1 3  0  38 o 154.318 1.7382 186.750  4.2039  186.750  4.2039  186.750  4.2039  154.318 1.7382 154.318 1.7382 -0.000000      0.000000 
1 1 1 3  0  39 o 337.768 3.2245 894.784  17.070  894.784  17.070  894.784  17.070  337.768 3.2245 337.768 3.2245 -0.000000      0.000000 
1 1 1 3  0  40 o 334.435 3.1938 877.241  16.741  877.241  16.741  877.241  16.741  334.435 3.1938 334.435 3.1938 0.000000       0.000000 
1 1 1 3  0  41 o 113.723 1.4924 101.434  2.6596  101.434  2.6596  101.434  2.6596  113.723 1.4924 113.723 1.4924 0.000000       0.000000 
1 1 1 3  0  42 o 236.588 2.3699 438.975  8.7877  438.975  8.7877  438.975  8.7877  236.588 2.3699 236.588 2.3699 0.000000       0.000000 
1 1 1 3  0  43 o 92.977  1.4249 67.814   2.0758  67.814   2.0758  67.814   2.0758  92.977  1.4249 92.977  1.4249 -0.000000      0.000000 
1 1 1 3  0  44 o 234.797 2.3584 432.367  8.6791  432.367  8.6791  432.367  8.6791  234.797 2.3584 234.797 2.3584 0.000000       0.000000 
1 1 1 3  0  45 o 180.933 1.9397 256.738  5.5004  256.738  5.5004  256.738  5.5004  180.933 1.9397 180.933 1.9397 -0.000000      0.000000 
1 1 1 3  0  46 o 134.139 1.6210 141.117  3.4077  141.117  3.4077  141.117  3.4077  134.139 1.6210 134.139 1.6210 -0.000000      0.000000 
1 1 1 3  0  47 o 199.965 2.0827 313.598  6.5273  313.598  6.5273  313.598  6.5273  199.965 2.0827 199.965 2.0827 0.000000       0.000000 
1 1 1 3  0  48 o 220.485 2.5123 381.338  8.6813  381.338  8.6813  381.338  8.6813  220.485 2.5123 220.485 2.5123 -0.000000      0.000000 
1 1 1 3  0  49 o 128.298 2.0435 129.153  4.1078  129.153  4.1078  129.153  4.1078  128.298 2.0435 128.298 2.0435 -0.000000      0.000000 
1 1 1 3  0  50 o 108.845 1.9072 92.970   3.2520  92.970   3.2520  92.970   3.2520  108.845 1.9072 108.845 1.9072 0.000000       0.000000 
1 1 1 3  0  51 o 102.545 1.8612 82.525   2.9897  82.525   2.9897  82.525   2.9897  102.545 1.8612 102.545 1.8612 0.000000       0.000000 
1 1 1 3  0  52 o 95.650  1.8297 71.810   2.7414  71.810   2.7414  71.810   2.7414  95.650  1.8297 95.650  1.8297 -0.000000      0.000000 
1 1 1 3  0  53 o 233.189 2.5931 426.642  9.4768  426.642  9.4768  426.642  9.4768  233.189 2.5931 233.189 2.5931 -0.000000      0.000000 
1 1 1 3  0  54 o 258.156 3.2903 523.206  13.311  523.206  13.311  523.206  13.311  258.156 3.2903 258.156 3.2903 0.000000       0.000000 
1 1 1 3  0  55 o 88.782  2.3762 61.957   3.3018  61.957   3.3018  61.957   3.3018  88.782  2.3762 88.782  2.3762 -0.000000      0.000000 
1 1 1 3  0  56 o 20.519  5.7829 4.0058   1.6105  4.0058   1.6105  4.0058   1.6105  20.519  5.7829 20.519  5.7829 0.000000       0.000000 
1 1 1 3  0  57 o 153.482 2.7982 185.058  6.7276  185.058  6.7276  185.058  6.7276  153.482 2.7982 153.482 2.7982 -0.000000      0.000000 
1 1 1 3  0  58 o 156.562 2.8249 192.605  6.9284  192.605  6.9284  192.605  6.9284  156.562 2.8249 156.562 2.8249 0.000000       0.000000 
1 1 1 3  0  59 o 16.433  6.0733 2.8495   1.4504  2.8495   1.4504  2.8495   1.4504  16.433  6.0733 16.433  6.0733 -0.000000      0.000000 
1 1 1 3  0  60 o 65.977  2.2750 34.287   2.3467  34.287   2.3467  34.287   2.3467  65.977  2.2750 65.977  2.2750 0.000000       0.000000 
1 1 1 3  0  61 o 14.560  5.9990 2.3460   1.3563  2.3460   1.3563  2.3460   1.3563  14.560  5.9990 14.560  5.9990 -0.000000      0.000000 
1 1 1 3  0  62 o 153.117 3.9839 185.119  9.5481  185.119  9.5481  185.119  9.5481  153.117 3.9839 153.117 3.9839 0.000000       0.000000 
1 1 1 3  0  63 o 120.392 2.4325 114.003  4.5868  114.003  4.5868  114.003  4.5868  120.392 2.4325 120.392 2.4325 -0.000000      0.000000 
1 1 1 3  0  64 o 149.575 2.7039 176.074  6.3356  176.074  6.3356  176.074  6.3356  149.575 2.7039 149.575 2.7039 0.000000       0.000000 
1 1 1 3  0  65 o 69.837  2.1352 38.416   2.3327  38.416   2.3327  38.416   2.3327  69.837  2.1352 69.837  2.1352 -0.000000      0.000000 
1 1 1 3  0  66 o 39.164  2.4555 12.200   1.4940  12.200   1.4940  12.200   1.4940  39.164  2.4555 39.164  2.4555 -0.000000      0.000000 
1 1 1 3  0  67 o 57.332  2.1154 25.933   1.8954  25.933   1.8954  25.933   1.8954  57.332  2.1154 57.332  2.1154 0.000000       0.000000 
1 1 1 3  0  68 o 26.839  3.0402 5.8894   1.2368  5.8894   1.2368  5.8894   1.2368  26.839  3.0402 26.839  3.0402 -0.000000      0.000000 
1 1 1 3  0  69 o 109.006 2.1966 93.541   3.7503  93.541   3.7503  93.541   3.7503  109.006 2.1966 109.006 2.1966 0.000000       0.000000 
1 1 1 3  0  70 o 34.329  3.0242 9.5081   1.5984  9.5081   1.5984  9.5081   1.5984  34.329  3.0242 34.329  3.0242 -0.000000      0.000000 
1 1 1 3  0  71 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  72 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  73 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  75 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  0  88 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  0  o 956.248 7.9884 7174.44  119.733 7174.44  119.733 7174.44  119.733 956.248 7.9884 956.248 7.9884 -0.000000      0.000000 
1 1 1 3  1  1  o 1063.49 6.8717 8875.43  114.565 8954.81  163.552 8798.95  160.530 1067.62 9.7720 1058.31 9.6759 9.308105       13.75191 
1 1 1 3  1  2  o 520.511 3.1029 2124.15  25.319  2144.84  36.165  2104.25  35.459  522.979 4.4111 518.008 4.3665 4.970642       6.206799 
1 1 1 3  1  3  o 527.524 3.1444 2181.79  26.004  2208.10  37.249  2156.77  36.318  530.631 4.4778 524.431 4.4175 6.199951       6.290117 
1 1 1 3  1  4  o 392.335 2.3677 1206.69  14.563  1208.33  20.600  1205.05  20.589  392.575 3.3473 392.041 3.3500 0.5340576      4.735731 
1 1 1 3  1  5  o 675.750 4.1879 3580.80  44.365  3657.42  61.421  3497.22  64.151  682.815 5.7380 667.656 6.1291 15.15918       8.395823 
1 1 1 3  1  6  o 279.411 1.8069 611.993  7.9147  603.386  10.567  622.992  11.946  277.431 2.4296 281.897 2.7031 -4.466339      3.634531 
1 1 1 3  1  7  o 761.052 4.7039 4542.37  56.121  4595.20  76.902  4482.18  82.085  765.292 6.4100 755.760 6.9283 9.531982       9.438707 
1 1 1 3  1  8  o 330.894 2.1072 858.318  10.931  857.363  14.787  859.469  16.230  330.696 2.8523 331.095 3.1269 -0.3995667     4.232388 
1 1 1 3  1  9  o 66.181  0.7156 34.332   0.7425  33.921   0.9655  34.926   1.1615  65.784  0.9362 66.751  1.1100 -0.9669189     1.452061 
1 1 1 3  1  10 o 717.134 4.4364 4032.96  49.875  4072.46  68.275  3987.76  73.034  720.496 6.0447 712.912 6.5349 7.583130       8.901854 
1 1 1 3  1  11 o 243.537 1.5998 464.920  6.1077  468.724  8.3327  460.503  8.9787  244.525 2.1737 242.369 2.3631 2.156052       3.210827 
1 1 1 3  1  12 o 168.836 1.1889 223.444  3.1468  222.195  4.2392  224.977  4.6963  168.362 1.6062 169.411 1.7683 -1.049377      2.388878 
1 1 1 3  1  13 o 74.873  0.7576 43.942   0.8892  42.740   1.2266  45.274   1.2910  73.841  1.0597 75.999  1.0836 -2.157433      1.515599 
1 1 1 3  1  14 o 273.040 1.6991 584.391  7.2728  575.079  10.104  594.402  10.477  270.848 2.3797 275.360 2.4270 -4.512054      3.398983 
1 1 1 3  1  15 o 627.157 3.7254 3083.93  36.627  3059.82  51.330  3108.94  52.281  624.612 5.2421 629.601 5.2969 -4.989136      7.452320 
1 1 1 3  1  16 o 241.395 1.5268 456.775  5.7777  450.426  8.0462  463.535  8.3017  239.706 2.1412 243.169 2.1777 -3.462723      3.054052 
1 1 1 3  1  17 f 258.346 1.6198 523.180  6.5600  535.955  9.4811  511.447  9.0861  261.474 2.3130 255.427 2.2691 6.047714       3.240202 
1 1 1 3  1  18 o 524.256 3.2703 2154.76  26.877  2164.26  40.033  2146.97  36.266  525.344 4.8609 523.261 4.4211 2.082581       6.570723 
1 1 1 3  1  19 o 388.633 2.7222 1184.03  16.585  1184.83  24.882  1183.39  22.248  388.730 4.0830 388.506 3.6530 0.2241516      5.478609 
1 1 1 3  1  20 o 776.727 5.0379 4731.15  61.344  4751.31  97.398  4717.89  78.978  778.101 7.9847 775.516 6.4962 2.584717       10.29353 
1 1 1 3  1  21 o 215.089 1.5284 362.643  5.1536  354.034  9.3033  366.454  6.1902  212.510 2.7926 216.214 1.8263 -3.704407      3.336726 
1 1 1 3  1  22 o 780.096 5.0580 4772.28  61.856  4778.58  97.931  4768.10  79.785  780.332 8.0055 779.631 6.5280 0.7008667      10.32969 
1 1 1 3  1  23 o 529.317 3.8731 2196.73  32.139  2168.68  51.782  2214.30  40.989  525.808 6.2819 531.385 4.9205 -5.577026      7.979615 
1 1 1 3  1  24 o 590.528 3.8540 2734.18  35.678  2742.20  56.592  2728.89  45.964  591.270 6.1054 589.902 4.9703 1.367249       7.872710 
1 1 1 3  1  25 o 221.371 1.5724 384.137  5.4568  372.314  8.3800  392.841  7.1900  217.930 2.4529 223.861 2.0488 -5.930725      3.195944 
1 1 1 3  1  26 o 262.181 1.9027 538.836  7.8204  536.291  10.460  542.062  11.777  261.554 2.5509 262.953 2.8569 -1.399384      3.830004 
1 1 1 3  1  27 o 395.299 2.5048 1224.99  15.522  1241.54  23.346  1211.89  20.780  397.926 3.7425 393.157 3.3715 4.768921       5.037175 
1 1 1 3  1  28 o 211.264 1.4490 349.858  4.7990  357.115  7.2438  344.182  6.4067  213.438 2.1649 209.539 1.9504 3.898636       2.913884 
1 1 1 3  1  29 o 443.298 2.7951 1540.60  19.424  1546.85  28.958  1535.49  26.189  444.151 4.1590 442.531 3.7751 1.620148       5.616831 
1 1 1 3  1  30 o 354.930 2.2756 987.554  12.662  988.899  18.836  986.444  17.103  355.147 3.3831 354.713 3.0757 0.4331970      4.572217 
1 1 1 3  1  31 o 122.512 1.3150 117.652  2.5255  116.585  3.3579  119.043  3.8322  121.953 1.7564 123.231 1.9837 -1.277390      2.649492 
1 1 1 3  1  32 o 470.640 3.1079 1736.64  22.930  1738.87  32.476  1734.42  32.381  470.884 4.3994 470.281 4.3922 0.6021423      6.216603 
1 1 1 3  1  33 o 400.461 2.8133 1257.31  17.661  1245.19  23.490  1273.05  26.787  398.494 3.7602 402.905 4.2410 -4.411438      5.667924 
1 1 1 3  1  34 o 210.201 1.6178 346.361  5.3311  344.658  7.1514  348.491  7.9981  209.677 2.1756 210.836 2.4198 -1.159180      3.254087 
1 1 1 3  1  35 o 249.277 1.8531 487.124  7.2414  482.396  9.6557  493.200  10.947  248.053 2.4830 250.809 2.7843 -2.755692      3.730659 
1 1 1 3  1  36 o 318.072 2.2835 793.162  11.387  795.080  15.347  790.814  16.983  318.431 3.0743 317.562 3.4114 0.8685913      4.592293 
1 1 1 3  1  37 o 230.892 1.5734 417.916  5.6952  415.129  7.6796  421.321  8.4895  230.111 2.1289 231.816 2.3361 -1.705170      3.160592 
1 1 1 3  1  38 o 179.094 1.3016 251.432  3.6544  251.451  4.9595  251.410  5.4054  179.094 1.7665 179.077 1.9255 0.1713562E-01  2.613011 
1 1 1 3  1  39 o 65.576  0.9898 33.708   1.0175  32.687   1.4349  34.741   1.4432  64.573  1.4175 66.571  1.3828 -1.998695      1.980268 
1 1 1 3  1  40 o 241.402 1.6312 456.854  6.1730  450.731  8.2618  464.591  9.2879  239.763 2.1981 243.414 2.4340 -3.650391      3.279594 
1 1 1 3  1  41 o 233.962 1.5905 429.128  5.8337  432.357  7.9657  425.392  8.5674  234.824 2.1639 232.919 2.3463 1.905243       3.191787 
1 1 1 3  1  42 o 360.518 2.2128 1019.13  12.506  1011.60  16.246  1030.07  19.595  359.141 2.8855 362.358 3.4494 -3.216919      4.497149 
1 1 1 3  1  43 o 444.755 2.9469 1551.50  20.546  1547.72  26.422  1557.26  32.679  444.118 3.7951 445.359 4.6806 -1.240479      6.025812 
1 1 1 3  1  44 o 147.827 1.2146 171.309  2.8147  172.049  3.5880  170.126  4.5386  148.140 1.5450 147.301 1.9654 0.8386688      2.499984 
1 1 1 3  1  45 o 74.271  1.0009 43.241   1.1653  42.955   1.4361  43.791   1.9939  74.023  1.2376 74.736  1.7019 -0.7127304     2.104253 
1 1 1 3  1  46 o 353.081 2.5055 977.697  13.868  984.397  18.657  969.425  20.732  354.213 3.3599 351.466 3.7627 2.746918       5.044497 
1 1 1 3  1  47 o 91.991  1.0588 66.337   1.5269  68.114   1.9609  63.600   2.4335  93.212  1.3419 90.065  1.7235 3.146393       2.184333 
1 1 1 3  1  48 o 46.250  1.1411 16.768   0.8273  16.237   0.9839  18.052   1.5288  45.509  1.3791 47.981  2.0325 -2.472069      2.456205 
1 1 1 3  1  49 o 211.048 2.0045 349.269  6.6318  345.301  9.2700  353.429  9.4915  209.804 2.8185 212.257 2.8525 -2.452866      4.010036 
1 1 1 3  1  50 o 207.893 1.9810 338.911  6.4562  340.364  9.1503  337.470  9.1106  208.294 2.8022 207.406 2.8020 0.8875732      3.962812 
1 1 1 3  1  51 o 316.825 3.0677 787.660  15.237  778.132  23.800  794.278  19.834  314.649 4.8249 318.034 3.9782 -3.385498      6.253483 
1 1 1 3  1  52 o 12.689  4.6086 1.0317   1.1844  3.4579   1.8278  -0.7243  1.5550  20.615  5.5379 10.353  4.6390 10.26262       7.224211 
1 1 1 3  1  53 o 126.939 1.8141 126.361  3.6100  126.162  5.1881  126.547  5.0263  126.807 2.6098 127.005 2.5245 -0.1975021     3.631013 
1 1 1 3  1  54 o 139.372 1.8858 152.341  4.1202  145.018  5.7128  160.279  5.9480  135.942 2.6806 142.918 2.6548 -6.975662      3.772775 
1 1 1 3  1  55 o 73.037  1.6658 41.834   1.9073  43.371   2.8380  40.567   2.5757  74.346  2.4350 71.907  2.2849 2.438446       3.339186 
1 1 1 3  1  56 f 257.355 3.3012 520.309  13.319  531.102  23.709  515.333  16.099  259.396 5.8303 255.985 4.0117 3.411530       7.077191 
1 1 1 3  1  57 o 68.138  1.8335 36.422   1.9586  33.749   3.5728  37.570   2.3418  65.429  3.4959 69.193  2.1589 -3.764633      4.108816 
1 1 1 3  1  58 o 52.755  1.6875 21.833   1.3956  24.780   3.1100  21.089   1.5617  56.014  3.5602 51.843  1.9215 4.170940       4.045632 
1 1 1 3  1  59 o 108.047 1.6551 91.588   2.8035  95.729   5.9366  90.400   3.1805  110.300 3.4333 107.329 1.8902 2.970757       3.919223 
1 1 1 3  1  60 o 133.960 1.8045 140.833  3.7896  132.072  7.3551  143.999  4.4216  129.487 3.6233 135.430 2.0826 -5.942413      4.179219 
1 1 1 3  1  61 o 73.545  1.8947 42.461   2.1845  41.977   3.6108  42.740   2.7435  73.026  3.1541 73.754  2.3728 -0.7286453     3.946974 
1 1 1 3  1  62 o 8.4546  4.0198 -1.8348  1.4527  0.0000   0.0000  -1.8348  1.4527  ?       ?      8.4546  4.0198 0.000000       4.019789 
1 1 1 3  1  63 f 33.047  2.5571 8.6406   1.3144  8.0081   2.0973  9.0497   1.6868  31.516  4.3618 33.734  3.2291 -2.217970      5.427065 
1 1 1 3  1  64 o 191.756 2.2896 289.090  6.8829  289.332  9.7020  288.845  9.7660  191.550 3.2309 191.380 3.2551 0.1696167      4.586350 
1 1 1 3  1  65 o 38.376  1.9591 11.602   1.1747  10.560   1.5915  12.849   1.7410  36.508  2.8022 40.296  2.7730 -3.787415      3.942281 
1 1 1 3  1  66 o 106.240 1.6494 88.635   2.7470  90.056   3.8605  87.178   3.9097  106.995 2.3016 105.260 2.3693 1.734940       3.303182 
1 1 1 3  1  67 o 60.001  1.5745 28.270   1.4810  28.339   2.0073  28.188   2.1939  60.029  2.1331 59.849  2.3383 0.1799965      3.165080 
1 1 1 3  1  68 o 49.198  1.6216 19.011   1.2507  20.200   1.7198  17.676   1.8222  50.673  2.1649 47.313  2.4653 3.360577       3.280964 
1 1 1 3  1  69 o 21.664  2.6357 3.7538   0.8767  3.6823   1.1602  3.8490   1.3385  21.274  3.6076 21.666  4.0908 -0.3916397     5.454290 
1 1 1 3  1  70 o 45.082  1.7748 15.976   1.2543  15.869   1.4795  16.249   2.3653  44.906  2.1016 45.180  3.3636 -0.2745171     3.966169 
1 1 1 3  1  71 o 39.926  2.5793 12.628   1.6058  13.423   2.3895  11.972   2.1685  40.933  3.7659 38.673  3.6188 2.260727       5.222824 
1 1 1 3  1  72 o 40.589  2.4915 13.047   1.5776  13.605   2.3625  12.597   2.1194  41.204  3.6969 39.695  3.4398 1.508404       5.049683 
1 1 1 3  1  73 o 33.070  2.7709 8.7086   1.4233  8.2870   2.1645  9.0298   1.8891  31.858  4.4559 33.488  3.6578 -1.630302      5.764986 
1 1 1 3  1  74 o 37.918  2.4692 11.406   1.4597  10.967   2.2628  11.719   1.9104  36.824  3.9832 38.280  3.2132 -1.455555      5.117662 
1 1 1 3  1  75 o 13.350  4.9637 1.1463   1.3871  0.0000   0.0000  1.1463   1.3871  ?       ?      13.350  4.9637 0.000000       4.963735 
1 1 1 3  1  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  1  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  0  o 84.329  2.0079 55.839   2.6511  55.839   2.6511  55.839   2.6511  84.329  2.0079 84.329  2.0079 0.000000       0.000000 
1 1 1 3  2  1  o 161.218 1.1600 203.736  2.9317  203.189  3.9565  204.401  4.3657  161.000 1.5676 161.478 1.7246 -0.4787598     2.330584 
1 1 1 3  2  2  o 551.973 3.1640 2388.72  27.378  2437.24  41.129  2350.10  36.688  557.469 4.7062 547.439 4.2750 10.03052       6.357981 
1 1 1 3  2  3  o 398.811 2.3173 1246.85  14.488  1281.78  21.900  1219.66  19.320  404.327 3.4550 394.418 3.1247 9.908508       4.658379 
1 1 1 3  2  4  o 449.847 2.7047 1586.46  19.073  1539.16  28.597  1624.36  25.599  443.038 4.1175 455.159 3.5876 -12.12027      5.461184 
1 1 1 3  2  5  o 867.087 4.9260 5896.57  66.959  5973.87  99.926  5833.58  90.207  872.450 7.3061 862.236 6.6736 10.21399       9.895243 
1 1 1 3  2  6  o 348.661 2.0438 952.958  11.171  950.580  16.399  955.018  15.260  348.206 3.0041 349.023 2.7890 -0.8171997     4.099180 
1 1 1 3  2  7  o 521.020 2.9933 2128.26  24.449  2165.88  36.666  2098.14  32.808  525.538 4.4505 517.275 4.0457 8.263489       6.014548 
1 1 1 3  2  8  o 379.863 2.2135 1131.17  13.181  1113.08  19.076  1147.69  18.235  376.790 3.2295 382.608 3.0401 -5.817505      4.435333 
1 1 1 3  2  9  o 348.411 2.0433 951.591  11.160  961.708  16.601  943.249  15.075  350.238 3.0236 346.867 2.7722 3.371582       4.102118 
1 1 1 3  2  10 f 543.877 3.1173 2319.11  26.579  2339.35  39.466  2302.31  35.955  546.172 4.6094 541.853 4.2328 4.319885       6.257999 
1 1 1 3  2  11 o 147.716 1.0564 171.038  2.4463  176.912  3.5329  165.627  3.3906  150.230 1.5001 145.359 1.4879 4.870483       2.112864 
1 1 1 3  2  12 o 464.927 3.0605 1694.67  22.306  1703.74  31.711  1685.78  31.383  466.122 4.3397 463.659 4.3176 2.463135       6.121648 
1 1 1 3  2  13 f 245.704 1.6297 473.232  6.2774  464.727  9.1323  480.851  8.6432  243.478 2.3926 247.668 2.2261 -4.190033      3.268037 
1 1 1 3  2  14 o 417.292 2.6311 1365.11  17.212  1356.54  25.356  1372.43  23.440  415.945 3.8886 418.383 3.5737 -2.438141      5.281402 
1 1 1 3  2  15 o 132.811 0.9966 138.261  2.0749  139.739  2.9379  136.789  2.9309  133.518 1.4036 132.101 1.4153 1.416824       1.993284 
1 1 1 3  2  16 o 147.360 1.0980 170.213  2.5364  172.718  3.2268  166.162  4.1031  148.439 1.3867 145.593 1.7977 2.846115       2.270365 
1 1 1 3  2  17 o 627.239 3.7293 3084.66  36.671  3053.52  51.278  3117.25  52.462  623.982 5.2421 630.456 5.3081 -6.473999      7.460268 
1 1 1 3  2  18 o 545.202 3.2540 2330.38  27.812  2343.88  39.543  2317.16  39.125  546.723 4.6137 543.599 4.5911 3.124451       6.508811 
1 1 1 3  2  19 o 198.369 1.3770 308.453  4.2822  310.867  6.3908  306.486  5.7688  199.140 2.0471 197.733 1.8610 1.406967       2.766611 
1 1 1 3  2  20 o 654.883 3.8898 3362.59  39.934  3351.16  56.243  3374.22  56.711  653.678 5.4885 655.921 5.5152 -2.243042      7.780807 
1 1 1 3  2  21 o 330.040 1.9478 853.863  10.078  851.541  14.783  855.880  13.775  329.578 2.8611 330.420 2.6592 -0.8421631     3.906117 
1 1 1 3  2  22 o 251.139 1.5311 494.390  6.0279  498.443  8.9319  491.001  8.1686  252.160 2.2595 250.272 2.0820 1.887863       3.072495 
1 1 1 3  2  23 o 132.983 1.1671 138.620  2.4330  137.587  4.2408  139.127  2.9705  132.483 2.0419 133.225 1.4223 -0.7418060     2.488406 
1 1 1 3  2  24 o 355.415 2.0871 990.220  11.629  979.798  16.915  999.559  16.012  353.523 3.0522 357.074 2.8605 -3.551056      4.183089 
1 1 1 3  2  25 o 493.979 2.8451 1912.97  22.032  1906.71  32.308  1918.42  30.123  493.125 4.1792 494.647 3.8847 -1.522278      5.705838 
1 1 1 3  2  26 f 115.741 0.9777 105.004  1.7740  106.880  2.6639  103.509  2.3779  116.769 1.4552 114.913 1.3200 1.855812       1.964726 
1 1 1 3  2  27 o 678.459 4.6489 3609.66  49.445  3620.53  66.545  3596.27  73.881  679.356 6.2483 677.010 6.9612 2.345947       9.354127 
1 1 1 3  2  28 o 333.866 2.1451 873.800  11.227  874.454  15.197  873.014  16.658  333.977 2.9027 333.696 3.1844 0.2811279      4.308826 
1 1 1 3  2  29 o 485.871 3.1971 1850.83  24.351  1839.17  34.224  1862.78  34.657  484.284 4.5079 487.381 4.5359 -3.096954      6.394969 
1 1 1 3  2  30 o 812.886 5.2727 5182.85  67.192  5149.56  94.382  5217.06  95.679  810.009 7.4327 815.292 7.4860 -5.283203      10.54917 
1 1 1 3  2  31 o 908.173 5.8826 6470.51  83.752  6457.13  118.191 6484.00  118.697 906.841 8.3138 908.722 8.3321 -1.881226      11.77042 
1 1 1 3  2  32 o 55.496  1.1613 24.141   1.0103  23.400   1.7327  24.523   1.2437  54.635  2.0230 55.933  1.4183 -1.297527      2.470649 
1 1 1 3  2  33 o 409.044 3.0338 1311.84  19.454  1314.45  27.584  1309.26  27.442  409.395 4.2979 408.587 4.2843 0.8086243      6.068520 
1 1 1 3  2  34 o 56.235  1.0911 24.789   0.9619  24.424   1.3992  25.116   1.3244  55.819  1.5990 56.604  1.4925 -0.7847557     2.187333 
1 1 1 3  2  35 o 198.067 1.6191 307.530  5.0274  309.508  7.1742  305.621  7.0472  198.693 2.3032 197.442 2.2768 1.251297       3.238618 
1 1 1 3  2  36 o 119.696 1.1283 112.306  2.1171  113.333  2.9026  111.138  3.0946  120.239 1.5399 119.068 1.6579 1.171043       2.262713 
1 1 1 3  2  37 o 216.170 1.6414 366.327  5.5622  366.253  7.4970  366.417  8.2960  216.137 2.2126 216.180 2.4479 -0.4289246E-01 3.299691 
1 1 1 3  2  38 o 57.053  1.0156 25.516   0.9083  26.849   1.3042  24.260   1.2657  58.523  1.4216 55.630  1.4514 2.893291       2.031592 
1 1 1 3  2  39 o 428.744 3.1848 1441.70  21.406  1451.03  27.232  1426.64  34.627  430.051 4.0393 426.290 5.1816 3.760223       6.570006 
1 1 1 3  2  40 o 213.327 1.5547 356.775  5.1993  360.507  6.2614  348.486  9.3310  214.432 1.8626 210.792 2.8237 3.640137       3.382726 
1 1 1 3  2  41 o 238.217 1.6932 444.890  6.3231  443.601  7.5250  447.986  11.663  237.861 2.0180 238.988 3.1129 -1.126892      3.709813 
1 1 1 3  2  42 o 247.956 1.6735 482.018  6.5053  480.235  8.0931  485.273  10.935  247.483 2.0860 248.746 2.8042 -1.262604      3.495021 
1 1 1 3  2  43 o 187.686 1.3541 276.154  3.9843  274.042  4.9263  280.147  6.7746  186.960 1.6808 189.014 2.2863 -2.053345      2.837675 
1 1 1 3  2  44 o 237.369 1.6172 441.735  6.0179  443.807  7.5433  438.109  9.9806  237.911 2.0225 236.348 2.6937 1.562408       3.368491 
1 1 1 3  2  45 o 130.836 1.0945 134.190  2.2449  136.141  2.8027  130.697  3.7495  131.780 1.3567 129.110 1.8525 2.670410       2.296167 
1 1 1 3  2  46 o 128.416 1.3117 129.279  2.6406  129.398  3.7559  129.163  3.7134  128.465 1.8650 128.349 1.8455 0.1161041      2.623748 
1 1 1 3  2  47 o 121.212 1.2879 115.182  2.4472  112.616  3.4186  117.879  3.5047  119.846 1.8196 122.614 1.8233 -2.768188      2.575919 
1 1 1 3  2  48 o 267.620 2.1090 561.630  8.8481  560.340  12.501  562.925  12.525  267.255 2.9837 267.871 2.9827 -0.6158447     4.218919 
1 1 1 3  2  49 o 181.069 1.6892 257.065  4.7950  259.443  7.3960  255.340  6.2979  181.868 2.5941 180.441 2.2264 1.427490       3.418521 
1 1 1 3  2  50 o 235.892 2.2181 436.405  8.2027  442.634  11.674  430.330  11.528  237.505 3.1354 234.180 3.1402 3.324814       4.437499 
1 1 1 3  2  51 o 209.041 2.0288 342.692  6.6486  345.127  9.3831  340.237  9.4222  209.732 2.8538 208.238 2.8863 1.493668       4.058928 
1 1 1 3  2  52 o 262.652 2.4113 541.154  9.9287  529.718  13.675  553.905  14.439  259.768 3.3580 265.620 3.4675 -5.851288      4.826984 
1 1 1 3  2  53 o 79.439  1.4485 49.479   1.8038  47.723   2.4199  51.676   2.7061  78.006  1.9788 81.168  2.1267 -3.162918      2.904945 
1 1 1 3  2  54 o 164.513 1.7602 212.250  4.5397  212.071  6.4119  212.430  6.4283  164.402 2.4879 164.541 2.4921 -0.1387329     3.521395 
1 1 1 3  2  55 o 137.813 1.7531 148.955  3.7874  152.368  4.9715  144.235  5.8467  139.355 2.2757 135.555 2.7513 3.800568       3.570500 
1 1 1 3  2  56 o 187.764 2.0630 276.599  6.0725  275.455  7.8320  278.324  9.6154  187.317 2.6671 188.218 3.2588 -0.9010010     4.211056 
1 1 1 3  2  57 o 166.055 1.9052 216.336  4.9595  215.974  6.4061  216.878  7.8356  165.865 2.4637 166.149 3.0083 -0.2839813     3.888402 
1 1 1 3  2  58 o 94.477  1.5503 70.014   2.2961  71.146   3.0154  68.451   3.5422  95.214  2.0202 93.369  2.4200 1.844994       3.152412 
1 1 1 3  2  59 o 54.554  1.6397 23.350   1.4023  21.144   1.8060  26.698   2.2253  51.894  2.2199 58.302  2.4347 -6.407898      3.294840 
1 1 1 3  2  60 o 32.861  2.1484 8.5156   1.1006  8.1657   1.4497  8.9917   1.6911  32.092  2.9132 33.646  3.2465 -1.553360      4.361995 
1 1 1 3  2  61 o 102.452 1.5391 82.360   2.4720  82.786   3.2213  81.750   3.8554  102.679 2.0012 101.994 2.4113 0.6852264      3.133557 
1 1 1 3  2  62 o 82.689  1.6446 53.666   2.1319  52.118   3.0529  55.140   2.9784  81.427  2.3916 83.766  2.2681 -2.339012      3.296041 
1 1 1 3  2  63 f 75.348  1.8178 44.580   2.1472  49.748   3.9386  42.395   2.5612  79.451  3.1622 73.445  2.2245 6.005722       3.866283 
1 1 1 3  2  64 o 61.540  1.7957 29.742   1.7323  33.942   2.3798  25.007   2.5266  65.700  2.3105 56.273  2.8737 9.427288       3.687356 
1 1 1 3  2  65 o 64.318  1.4308 32.469   1.4427  32.470   2.3365  32.468   1.8341  64.250  2.3198 64.291  1.8197 -0.4057312E-01 2.948343 
1 1 1 3  2  66 o 59.403  1.4207 27.698   1.3230  29.765   2.2030  26.532   1.6547  61.511  2.2846 58.113  1.8163 3.397938       2.918626 
1 1 1 3  2  67 o 23.170  1.9875 4.2511   0.7149  3.2210   1.3607  4.6438   0.8402  19.739  4.4975 24.193  2.2409 -4.453123      5.024862 
1 1 1 3  2  68 o 73.783  1.8332 42.785   2.1205  44.257   2.5413  39.411   3.8472  75.002  2.1614 70.570  3.4775 4.432549       4.094482 
1 1 1 3  2  69 o 63.163  2.7191 31.469   2.6925  31.469   2.6925  0.0000   0.0000  63.163  2.7191 ?       ?      0.000000       2.719121 
1 1 1 3  2  70 o 99.377  2.8996 78.011   4.5172  78.011   4.5172  0.0000   0.0000  99.377  2.8996 ?       ?      0.000000       2.899564 
1 1 1 3  2  71 o 59.283  2.0257 27.662   1.8826  28.363   2.3277  26.336   3.2010  59.969  2.4760 57.491  3.5693 2.478363       4.344059 
1 1 1 3  2  72 o 35.555  4.4004 10.263   2.4003  0.0000   0.0000  10.263   2.4003  ?       ?      35.555  4.4004 0.000000       4.400359 
1 1 1 3  2  73 o 32.512  3.2519 8.4724   1.6352  6.9734   2.2714  10.085   2.3560  28.955  5.1947 35.216  4.3609 -6.260115      6.782532 
1 1 1 3  2  74 f 16.685  5.1668 2.2643   1.4903  1.9181   2.1063  2.6113   2.1089  16.710  6.1341 18.277  6.1860 -1.566698      8.711711 
1 1 1 3  2  75 o 14.924  5.1268 1.6828   1.4491  4.0598   2.1795  -0.2004  1.9399  21.820  6.1222 12.331  5.3664 9.489066       8.141290 
1 1 1 3  2  76 o 67.867  2.3124 36.424   2.4603  35.426   3.5254  37.372   3.4351  66.512  3.3924 68.468  3.2003 -1.955925      4.663711 
1 1 1 3  2  77 o 26.489  3.7502 5.7452   1.5138  4.6325   2.1446  6.8501   2.1371  23.143  5.8948 28.562  4.9523 -5.419367      7.698951 
1 1 1 3  2  78 o 10.387  4.4465 0.0297   1.2898  1.7294   1.9130  -1.3870  1.7465  15.743  5.8341 9.9814  4.6371 5.761374       7.452492 
1 1 1 3  2  79 o 17.129  4.5544 2.4937   1.2441  1.8117   1.8320  3.0774   1.6948  15.733  5.7290 18.919  5.4302 -3.185678      7.893532 
1 1 1 3  2  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  2  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  3  0  o 490.429 5.1081 1886.19  39.263  1886.19  39.263  1886.19  39.263  490.429 5.1081 490.429 5.1081 -0.000000      0.000000 
1 1 1 3  3  1  o 349.591 2.6277 958.190  14.399  958.190  14.399  958.190  14.399  349.591 2.6277 349.591 2.6277 -0.000000      0.000000 
1 1 1 3  3  2  o 129.696 1.2980 131.892  2.6386  131.892  2.6386  131.892  2.6386  129.696 1.2980 129.696 1.2980 -0.000000      0.000000 
1 1 1 3  3  3  o 119.629 1.3495 112.220  2.5302  112.220  2.5302  112.220  2.5302  119.629 1.3495 119.629 1.3495 0.000000       0.000000 
1 1 1 3  3  4  o 350.396 2.8106 962.644  15.437  962.644  15.437  962.644  15.437  350.396 2.8106 350.396 2.8106 0.000000       0.000000 
1 1 1 3  3  5  o 648.420 5.0537 3297.19  51.364  3297.19  51.364  3297.19  51.364  648.420 5.0537 648.420 5.0537 0.000000       0.000000 
1 1 1 3  3  6  f 161.377 1.6019 204.198  4.0516  204.198  4.0516  204.198  4.0516  161.377 1.6019 161.377 1.6019 -0.000000      0.000000 
1 1 1 3  3  7  o 292.746 2.3920 671.925  10.976  671.925  10.976  671.925  10.976  292.746 2.3920 292.746 2.3920 -0.000000      0.000000 
1 1 1 3  3  8  o 246.680 2.0631 477.094  7.9771  477.094  7.9771  477.094  7.9771  246.680 2.0631 246.680 2.0631 -0.000000      0.000000 
1 1 1 3  3  9  o 302.809 2.4650 718.914  11.700  718.914  11.700  718.914  11.700  302.809 2.4650 302.809 2.4650 0.000000       0.000000 
1 1 1 3  3  10 o 316.851 2.5676 787.139  12.752  787.139  12.752  787.139  12.752  316.851 2.5676 316.851 2.5676 -0.000000      0.000000 
1 1 1 3  3  11 o 133.170 1.3297 139.050  2.7754  139.050  2.7754  139.050  2.7754  133.170 1.3297 133.170 1.3297 0.000000       0.000000 
1 1 1 3  3  12 o 179.106 1.6100 251.513  4.5198  251.513  4.5198  251.513  4.5198  179.106 1.6100 179.106 1.6100 -0.000000      0.000000 
1 1 1 3  3  13 o 268.673 2.2223 565.957  9.3585  565.957  9.3585  565.957  9.3585  268.673 2.2223 268.673 2.2223 0.000000       0.000000 
1 1 1 3  3  14 o 365.711 2.9252 1048.63  16.768  1048.63  16.768  1048.63  16.768  365.711 2.9252 365.711 2.9252 0.000000       0.000000 
1 1 1 3  3  15 o 443.150 3.5014 1539.78  24.321  1539.78  24.321  1539.78  24.321  443.150 3.5014 443.150 3.5014 -0.000000      0.000000 
1 1 1 3  3  16 o 259.199 2.5465 526.798  10.345  526.798  10.345  526.798  10.345  259.199 2.5465 259.199 2.5465 -0.000000      0.000000 
1 1 1 3  3  17 o 240.609 2.3947 453.944  9.0309  453.944  9.0309  453.944  9.0309  240.609 2.3947 240.609 2.3947 0.000000       0.000000 
1 1 1 3  3  18 o 232.387 2.6111 423.487  9.5098  423.487  9.5098  423.487  9.5098  232.387 2.6111 232.387 2.6111 -0.000000      0.000000 
1 1 1 3  3  19 o 842.907 7.7272 5573.67  102.088 5573.67  102.088 5573.67  102.088 842.907 7.7272 842.907 7.7272 -0.000000      0.000000 
1 1 1 3  3  20 o 92.196  1.7070 66.697   2.4652  66.697   2.4652  66.697   2.4652  92.196  1.7070 92.196  1.7070 -0.000000      0.000000 
1 1 1 3  3  21 o 342.448 2.9744 919.493  15.965  919.493  15.965  919.493  15.965  342.448 2.9744 342.448 2.9744 0.000000       0.000000 
1 1 1 3  3  22 o 593.219 5.4843 2759.90  50.993  2759.90  50.993  2759.90  50.993  593.219 5.4843 593.219 5.4843 -0.000000      0.000000 
1 1 1 3  3  23 o 375.245 3.9477 1104.24  23.217  1104.24  23.217  1104.24  23.217  375.245 3.9477 375.245 3.9477 0.000000       0.000000 
1 1 1 3  3  24 o 235.426 2.3411 434.596  8.6384  434.596  8.6384  434.596  8.6384  235.426 2.3411 235.426 2.3411 0.000000       0.000000 
1 1 1 3  3  25 o 200.255 2.0576 314.448  6.4579  314.448  6.4579  314.448  6.4579  200.255 2.0576 200.255 2.0576 -0.000000      0.000000 
1 1 1 3  3  26 o 537.415 5.5597 2265.33  46.829  2265.33  46.829  2265.33  46.829  537.415 5.5597 537.415 5.5597 -0.000000      0.000000 
1 1 1 3  3  27 f 554.618 5.1321 2412.43  44.613  2412.43  44.613  2412.43  44.613  554.618 5.1321 554.618 5.1321 -0.000000      0.000000 
1 1 1 3  3  28 o 434.496 4.0613 1480.46  27.658  1480.46  27.658  1480.46  27.658  434.496 4.0613 434.496 4.0613 -0.000000      0.000000 
1 1 1 3  3  29 o 452.758 4.7160 1607.75  33.465  1607.75  33.465  1607.75  33.465  452.758 4.7160 452.758 4.7160 0.000000       0.000000 
1 1 1 3  3  30 o 583.016 5.3921 2666.04  49.273  2666.04  49.273  2666.04  49.273  583.016 5.3921 583.016 5.3921 -0.000000      0.000000 
1 1 1 3  3  31 o 353.136 3.3550 977.906  18.570  977.906  18.570  977.906  18.570  353.136 3.3550 353.136 3.3550 -0.000000      0.000000 
1 1 1 3  3  32 o 398.364 4.2032 1244.66  26.243  1244.66  26.243  1244.66  26.243  398.364 4.2032 398.364 4.2032 -0.000000      0.000000 
1 1 1 3  3  33 o 379.957 4.0268 1132.30  23.979  1132.30  23.979  1132.30  23.979  379.957 4.0268 379.957 4.0268 -0.000000      0.000000 
1 1 1 3  3  34 o 505.224 6.0675 2003.04  48.040  2003.04  48.040  2003.04  48.040  505.224 6.0675 505.224 6.0675 -0.000000      0.000000 
1 1 1 3  3  35 o 145.511 2.1670 166.092  4.9406  166.092  4.9406  166.092  4.9406  145.511 2.1670 145.511 2.1670 0.000000       0.000000 
1 1 1 3  3  36 o 122.251 1.9736 117.249  3.7801  117.249  3.7801  117.249  3.7801  122.251 1.9736 122.251 1.9736 -0.000000      0.000000 
1 1 1 3  3  37 o 225.051 2.9387 397.297  10.364  397.297  10.364  397.297  10.364  225.051 2.9387 225.051 2.9387 -0.000000      0.000000 
1 1 1 3  3  38 o 403.819 4.2610 1279.37  26.967  1279.37  26.967  1279.37  26.967  403.819 4.2610 403.819 4.2610 0.000000       0.000000 
1 1 1 3  3  39 o 19.826  3.1380 3.3048   0.9022  3.3048   0.9022  3.3048   0.9022  19.826  3.1380 19.826  3.1380 0.000000       0.000000 
1 1 1 3  3  40 o 159.671 2.2917 200.000  5.7337  200.000  5.7337  200.000  5.7337  159.671 2.2917 159.671 2.2917 -0.000000      0.000000 
1 1 1 3  3  41 o 145.884 1.7159 166.906  3.9229  166.906  3.9229  166.906  3.9229  145.884 1.7159 145.884 1.7159 0.000000       0.000000 
1 1 1 3  3  42 o 197.442 2.0909 305.728  6.4703  305.728  6.4703  305.728  6.4703  197.442 2.0909 197.442 2.0909 0.000000       0.000000 
1 1 1 3  3  43 o 223.295 2.0771 391.007  7.2694  391.007  7.2694  391.007  7.2694  223.295 2.0771 223.295 2.0771 -0.000000      0.000000 
1 1 1 3  3  44 o 47.305  1.3105 17.582   0.9701  17.582   0.9701  17.582   0.9701  47.305  1.3105 47.305  1.3105 -0.000000      0.000000 
1 1 1 3  3  45 o 378.307 4.0429 1123.13  23.970  1123.13  23.970  1123.13  23.970  378.307 4.0429 378.307 4.0429 0.000000       0.000000 
1 1 1 3  3  46 f 136.516 1.7634 146.178  3.7725  146.178  3.7725  146.178  3.7725  136.516 1.7634 136.516 1.7634 -0.000000      0.000000 
1 1 1 3  3  47 o 128.938 1.7378 130.406  3.5113  130.406  3.5113  130.406  3.5113  128.938 1.7378 128.938 1.7378 0.000000       0.000000 
1 1 1 3  3  48 o 190.414 2.1037 284.381  6.2779  284.381  6.2779  284.381  6.2779  190.414 2.1037 190.414 2.1037 -0.000000      0.000000 
1 1 1 3  3  49 o 44.670  2.0618 15.745   1.4368  15.745   1.4368  15.745   1.4368  44.670  2.0618 44.670  2.0618 0.000000       0.000000 
1 1 1 3  3  50 o 215.468 2.2888 364.171  7.7293  364.171  7.7293  364.171  7.7293  215.468 2.2888 215.468 2.2888 0.000000       0.000000 
1 1 1 3  3  51 o 183.680 2.0587 264.644  5.9264  264.644  5.9264  264.644  5.9264  183.680 2.0587 183.680 2.0587 -0.000000      0.000000 
1 1 1 3  3  52 o 327.475 3.1905 841.595  16.376  841.595  16.376  841.595  16.376  327.475 3.1905 327.475 3.1905 -0.000000      0.000000 
1 1 1 3  3  53 o 130.220 1.7376 133.028  3.5457  133.028  3.5457  133.028  3.5457  130.220 1.7376 130.220 1.7376 -0.000000      0.000000 
1 1 1 3  3  54 f 36.396  2.2408 10.507   1.2674  10.507   1.2674  10.507   1.2674  36.396  2.2408 36.396  2.2408 0.000000       0.000000 
1 1 1 3  3  55 o 121.076 1.6807 115.016  3.1887  115.016  3.1887  115.016  3.1887  121.076 1.6807 121.076 1.6807 0.000000       0.000000 
1 1 1 3  3  56 o 236.007 2.7591 437.293  10.205  437.293  10.205  437.293  10.205  236.007 2.7591 236.007 2.7591 -0.000000      0.000000 
1 1 1 3  3  57 o 232.317 2.7291 423.807  9.9362  423.807  9.9362  423.807  9.9362  232.317 2.7291 232.317 2.7291 0.000000       0.000000 
1 1 1 3  3  58 o 52.019  2.3745 21.369   1.9272  21.369   1.9272  21.369   1.9272  52.019  2.3745 52.019  2.3745 0.000000       0.000000 
1 1 1 3  3  59 o 61.025  2.1903 29.338   2.0893  29.338   2.0893  29.338   2.0893  61.025  2.1903 61.025  2.1903 0.000000       0.000000 
1 1 1 3  3  60 f 20.398  5.2440 3.8617   1.4494  3.8617   1.4494  3.8617   1.4494  20.398  5.2440 20.398  5.2440 -0.000000      0.000000 
1 1 1 3  3  61 f 41.965  2.5104 13.980   1.6380  13.980   1.6380  13.980   1.6380  41.965  2.5104 41.965  2.5104 0.000000       0.000000 
1 1 1 3  3  62 o 48.588  2.3529 18.672   1.7826  18.672   1.7826  18.672   1.7826  48.588  2.3529 48.588  2.3529 0.000000       0.000000 
1 1 1 3  3  63 o 29.492  3.9672 7.2187   1.7409  7.2187   1.7409  7.2187   1.7409  29.492  3.9672 29.492  3.9672 -0.000000      0.000000 
1 1 1 3  3  64 o 58.850  2.1425 27.311   1.9707  27.311   1.9707  27.311   1.9707  58.850  2.1425 58.850  2.1425 0.000000       0.000000 
1 1 1 3  3  65 o 11.341  5.7750 1.5031   1.2896  1.5031   1.2896  1.5031   1.2896  11.341  5.7750 11.341  5.7750 0.000000       0.000000 
1 1 1 3  3  66 o 77.118  2.0222 46.816   2.4409  46.816   2.4409  46.816   2.4409  77.118  2.0222 77.118  2.0222 0.000000       0.000000 
1 1 1 3  3  67 o 25.094  4.2621 5.3872   1.5314  5.3872   1.5314  5.3872   1.5314  25.094  4.2621 25.094  4.2621 -0.000000      0.000000 
1 1 1 3  3  68 o 66.978  2.3092 35.408   2.4181  35.408   2.4181  35.408   2.4181  66.978  2.3092 66.978  2.3092 0.000000       0.000000 
1 1 1 3  3  69 f 88.165  2.2698 61.266   3.1324  61.266   3.1324  61.266   3.1324  88.165  2.2698 88.165  2.2698 -0.000000      0.000000 
1 1 1 3  3  70 o 32.147  3.0060 8.3647   1.4845  8.3647   1.4845  8.3647   1.4845  32.147  3.0060 32.147  3.0060 -0.000000      0.000000 
1 1 1 3  3  71 o 41.700  2.4877 13.845   1.6130  13.845   1.6130  13.845   1.6130  41.700  2.4877 41.700  2.4877 0.000000       0.000000 
1 1 1 3  3  72 o 25.034  2.4807 5.0826   0.9516  5.0826   0.9516  5.0826   0.9516  25.034  2.4807 25.034  2.4807 0.000000       0.000000 
1 1 1 3  3  73 o 16.696  7.9277 3.3915   2.3623  3.3915   2.3623  3.3915   2.3623  16.696  7.9277 16.696  7.9277 -0.000000      0.000000 
1 1 1 3  3  74 f 8.0619  5.4998 -1.1465  2.1567  -1.1465  2.1567  -1.1465  2.1567  8.0619  5.4998 8.0619  5.4998 0.000000       0.000000 
1 1 1 3  3  75 o 43.966  4.3633 15.963   2.9394  15.963   2.9394  15.963   2.9394  43.966  4.3633 43.966  4.3633 -0.000000      0.000000 
1 1 1 3  3  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  3  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  3  78 o 9.4682  6.1805 0.0345   2.2453  0.0345   2.2453  0.0345   2.2453  9.4682  6.1805 9.4682  6.1805 0.000000       0.000000 
1 1 1 3  3  79 o 10.387  6.4706 0.8230   2.1362  0.8230   2.1362  0.8230   2.1362  10.387  6.4706 10.387  6.4706 -0.000000      0.000000 
1 1 1 3  3  80 o 34.776  4.8428 10.486   2.4937  10.486   2.4937  10.486   2.4937  34.776  4.8428 34.776  4.8428 -0.000000      0.000000 
1 1 1 3  3  81 f 29.028  5.8532 7.8106   2.3602  7.8106   2.3602  7.8106   2.3602  29.028  5.8532 29.028  5.8532 0.000000       0.000000 
1 1 1 3  3  82 o 48.733  3.6561 19.592   2.7570  19.592   2.7570  19.592   2.7570  48.733  3.6561 48.733  3.6561 0.000000       0.000000 
1 1 1 3  3  83 f 30.749  4.6251 8.2989   2.0806  8.2989   2.0806  8.2989   2.0806  30.749  4.6251 30.749  4.6251 -0.000000      0.000000 
1 1 1 3  3  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  3  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  3  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 3  3  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  0  o 140.734 2.4693 155.395  5.4441  155.395  5.4441  155.395  5.4441  140.734 2.4693 140.734 2.4693 0.000000       0.000000 
1 1 1 4  0  1  o 285.546 3.0645 639.401  13.715  639.401  13.715  639.401  13.715  285.546 3.0645 285.546 3.0645 0.000000       0.000000 
1 1 1 4  0  2  o 276.360 2.6610 598.867  11.526  598.867  11.526  598.867  11.526  276.360 2.6610 276.360 2.6610 -0.000000      0.000000 
1 1 1 4  0  3  o 258.805 2.8122 525.246  11.406  525.246  11.406  525.246  11.406  258.805 2.8122 258.805 2.8122 0.000000       0.000000 
1 1 1 4  0  4  o 843.907 7.7395 5587.74  102.372 5587.74  102.372 5587.74  102.372 843.907 7.7395 843.907 7.7395 -0.000000      0.000000 
1 1 1 4  0  5  o 285.247 2.7380 638.008  12.241  638.008  12.241  638.008  12.241  285.247 2.7380 285.247 2.7380 -0.000000      0.000000 
1 1 1 4  0  6  o 574.299 4.8358 2586.50  43.530  2586.50  43.530  2586.50  43.530  574.299 4.8358 574.299 4.8358 -0.000000      0.000000 
1 1 1 4  0  7  o 575.722 4.8469 2599.34  43.738  2599.34  43.738  2599.34  43.738  575.722 4.8469 575.722 4.8469 -0.000000      0.000000 
1 1 1 4  0  8  o 122.665 1.3103 117.983  2.5191  117.983  2.5191  117.983  2.5191  122.665 1.3103 122.665 1.3103 0.000000       0.000000 
1 1 1 4  0  9  o 423.487 3.6040 1406.26  23.923  1406.26  23.923  1406.26  23.923  423.487 3.6040 423.487 3.6040 0.000000       0.000000 
1 1 1 4  0  10 o 486.459 4.1183 1855.64  31.401  1855.64  31.401  1855.64  31.401  486.459 4.1183 486.459 4.1183 0.000000       0.000000 
1 1 1 4  0  11 o 85.289  1.1170 57.048   1.4929  57.048   1.4929  57.048   1.4929  85.289  1.1170 85.289  1.1170 0.000000       0.000000 
1 1 1 4  0  12 o 570.447 4.8032 2551.88  42.947  2551.88  42.947  2551.88  42.947  570.447 4.8032 570.447 4.8032 -0.000000      0.000000 
1 1 1 4  0  13 o 34.911  1.1930 9.5865   0.6512  9.5865   0.6512  9.5865   0.6512  34.911  1.1930 34.911  1.1930 -0.000000      0.000000 
1 1 1 4  0  14 o 278.939 2.4523 610.059  10.721  610.059  10.721  610.059  10.721  278.939 2.4523 278.939 2.4523 0.000000       0.000000 
1 1 1 4  0  15 o 103.863 1.2170 84.593   1.9809  84.593   1.9809  84.593   1.9809  103.863 1.2170 103.863 1.2170 0.000000       0.000000 
1 1 1 4  0  16 o 502.124 4.2483 1977.06  33.436  1977.06  33.436  1977.06  33.436  502.124 4.2483 502.124 4.2483 0.000000       0.000000 
1 1 1 4  0  17 o 793.049 6.6337 4932.96  82.459  4932.96  82.459  4932.96  82.459  793.049 6.6337 793.049 6.6337 0.000000       0.000000 
1 1 1 4  0  18 o 673.342 5.6509 3555.68  59.640  3555.68  59.640  3555.68  59.640  673.342 5.6509 673.342 5.6509 -0.000000      0.000000 
1 1 1 4  0  19 o 91.148  1.3170 65.162   1.8810  65.162   1.8810  65.162   1.8810  91.148  1.3170 91.148  1.3170 -0.000000      0.000000 
1 1 1 4  0  20 f 30.470  1.3717 7.3214   0.6522  7.3214   0.6522  7.3214   0.6522  30.470  1.3717 30.470  1.3717 -0.000000      0.000000 
1 1 1 4  0  21 o 51.999  1.1307 21.224   0.9207  21.224   0.9207  21.224   0.9207  51.999  1.1307 51.999  1.1307 -0.000000      0.000000 
1 1 1 4  0  22 o 115.050 1.4456 103.803  2.6064  103.803  2.6064  103.803  2.6064  115.050 1.4456 115.050 1.4456 -0.000000      0.000000 
1 1 1 4  0  23 o 338.848 3.5905 900.395  19.068  900.395  19.068  900.395  19.068  338.848 3.5905 338.848 3.5905 0.000000       0.000000 
1 1 1 4  0  24 o 1043.38 8.7128 8541.34  142.490 8541.34  142.490 8541.34  142.490 1043.38 8.7128 1043.38 8.7128 -0.000000      0.000000 
1 1 1 4  0  25 o 686.817 5.7693 3699.52  62.109  3699.52  62.109  3699.52  62.109  686.817 5.7693 686.817 5.7693 0.000000       0.000000 
1 1 1 4  0  26 o 641.317 5.3931 3225.48  54.212  3225.48  54.212  3225.48  54.212  641.317 5.3931 641.317 5.3931 0.000000       0.000000 
1 1 1 4  0  27 f 79.834  1.2421 49.994   1.5537  49.994   1.5537  49.994   1.5537  79.834  1.2421 79.834  1.2421 0.000000       0.000000 
1 1 1 4  0  28 o 140.770 1.5089 155.384  3.3290  155.384  3.3290  155.384  3.3290  140.770 1.5089 140.770 1.5089 0.000000       0.000000 
1 1 1 4  0  29 o 309.999 2.7303 753.503  13.266  753.503  13.266  753.503  13.266  309.999 2.7303 309.999 2.7303 0.000000       0.000000 
1 1 1 4  0  30 o 833.473 6.9822 5449.60  91.215  5449.60  91.215  5449.60  91.215  833.473 6.9822 833.473 6.9822 0.000000       0.000000 
1 1 1 4  0  31 o 297.210 2.6310 692.617  12.256  692.617  12.256  692.617  12.256  297.210 2.6310 297.210 2.6310 0.000000       0.000000 
1 1 1 4  0  32 o 357.139 3.1013 1000.13  17.360  1000.13  17.360  1000.13  17.360  357.139 3.1013 357.139 3.1013 -0.000000      0.000000 
1 1 1 4  0  33 f 161.760 1.6474 205.171  4.1766  205.171  4.1766  205.171  4.1766  161.760 1.6474 161.760 1.6474 0.000000       0.000000 
1 1 1 4  0  34 o 105.496 1.3468 87.281   2.2265  87.281   2.2265  87.281   2.2265  105.496 1.3468 105.496 1.3468 0.000000       0.000000 
1 1 1 4  0  35 o 48.856  1.3662 18.754   1.0445  18.754   1.0445  18.754   1.0445  48.856  1.3662 48.856  1.3662 -0.000000      0.000000 
1 1 1 4  0  36 o 170.789 1.9092 228.740  5.1103  228.740  5.1103  228.740  5.1103  170.789 1.9092 170.789 1.9092 0.000000       0.000000 
1 1 1 4  0  37 o 153.042 1.7934 183.678  4.3014  183.678  4.3014  183.678  4.3014  153.042 1.7934 153.042 1.7934 -0.000000      0.000000 
1 1 1 4  0  38 o 226.438 2.6059 402.144  9.2477  402.144  9.2477  402.144  9.2477  226.438 2.6059 226.438 2.6059 -0.000000      0.000000 
1 1 1 4  0  39 o 535.671 5.5818 2252.19  46.862  2252.19  46.862  2252.19  46.862  535.671 5.5818 535.671 5.5818 0.000000       0.000000 
1 1 1 4  0  40 o 5.0941  3.4995 -0.6472  0.9077  -0.6472  0.9077  -0.6472  0.9077  5.0941  3.4995 5.0941  3.4995 -0.000000      0.000000 
1 1 1 4  0  41 o 82.768  1.6759 53.768   2.1725  53.768   2.1725  53.768   2.1725  82.768  1.6759 82.768  1.6759 0.000000       0.000000 
1 1 1 4  0  42 o 446.291 4.6817 1563.18  32.747  1563.18  32.747  1563.18  32.747  446.291 4.6817 446.291 4.6817 0.000000       0.000000 
1 1 1 4  0  43 o 164.179 2.0679 211.422  5.3203  211.422  5.3203  211.422  5.3203  164.179 2.0679 164.179 2.0679 0.000000       0.000000 
1 1 1 4  0  44 o 295.548 3.2253 685.251  14.940  685.251  14.940  685.251  14.940  295.548 3.2253 295.548 3.2253 0.000000       0.000000 
1 1 1 4  0  45 o 242.734 2.7400 462.181  10.423  462.181  10.423  462.181  10.423  242.734 2.7400 242.734 2.7400 -0.000000      0.000000 
1 1 1 4  0  46 o 23.438  4.9007 4.8336   1.5867  4.8336   1.5867  4.8336   1.5867  23.438  4.9007 23.438  4.9007 -0.000000      0.000000 
1 1 1 4  0  47 o 24.615  4.4903 5.2018   1.5621  5.2018   1.5621  5.2018   1.5621  24.615  4.4903 24.615  4.4903 -0.000000      0.000000 
1 1 1 4  0  48 o 242.935 3.8436 463.353  14.630  463.353  14.630  463.353  14.630  242.935 3.8436 242.935 3.8436 0.000000       0.000000 
1 1 1 4  0  49 o 39.798  2.5918 12.577   1.6013  12.577   1.6013  12.577   1.6013  39.798  2.5918 39.798  2.5918 0.000000       0.000000 
1 1 1 4  0  50 o 324.152 4.0371 824.926  20.508  824.926  20.508  824.926  20.508  324.152 4.0371 324.152 4.0371 -0.000000      0.000000 
1 1 1 4  0  51 o 153.982 2.3062 186.050  5.5641  186.050  5.5641  186.050  5.5641  153.982 2.3062 153.982 2.3062 -0.000000      0.000000 
1 1 1 4  0  52 o 191.943 2.6365 289.112  7.9298  289.112  7.9298  289.112  7.9298  191.943 2.6365 191.943 2.6365 -0.000000      0.000000 
1 1 1 4  0  53 o 123.054 1.7305 118.793  3.3367  118.793  3.3367  118.793  3.3367  123.054 1.7305 123.054 1.7305 0.000000       0.000000 
1 1 1 4  0  54 o 131.914 2.0082 136.549  4.1507  136.549  4.1507  136.549  4.1507  131.914 2.0082 131.914 2.0082 0.000000       0.000000 
1 1 1 4  0  55 o 147.964 2.1321 171.811  4.9432  171.811  4.9432  171.811  4.9432  147.964 2.1321 147.964 2.1321 -0.000000      0.000000 
1 1 1 4  0  56 o 61.559  1.5854 29.773   1.5277  29.773   1.5277  29.773   1.5277  61.559  1.5854 61.559  1.5854 0.000000       0.000000 
1 1 1 4  0  57 o 301.210 6.6487 717.491  31.361  717.491  31.361  717.491  31.361  301.210 6.6487 301.210 6.6487 -0.000000      0.000000 
1 1 1 4  0  58 o 6.5916  4.7196 -3.5700  2.2604  -3.5700  2.2604  -3.5700  2.2604  6.5916  4.7196 6.5916  4.7196 0.000000       0.000000 
1 1 1 4  0  59 o 153.508 2.8833 185.262  6.9332  185.262  6.9332  185.262  6.9332  153.508 2.8833 153.508 2.8833 0.000000       0.000000 
1 1 1 4  0  60 o 21.872  5.7349 4.4661   1.6990  4.4661   1.6990  4.4661   1.6990  21.872  5.7349 21.872  5.7349 -0.000000      0.000000 
1 1 1 4  0  61 o 135.908 3.8235 145.779  8.1317  145.779  8.1317  145.779  8.1317  135.908 3.8235 135.908 3.8235 -0.000000      0.000000 
1 1 1 4  0  62 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  63 o 65.906  3.3998 34.470   3.4913  34.470   3.4913  34.470   3.4913  65.906  3.3998 65.906  3.3998 -0.000000      0.000000 
1 1 1 4  0  64 o 44.106  3.8959 15.699   2.6454  15.699   2.6454  15.699   2.6454  44.106  3.8959 44.106  3.8959 -0.000000      0.000000 
1 1 1 4  0  65 o 44.592  3.6898 16.002   2.5387  16.002   2.5387  16.002   2.5387  44.592  3.6898 44.592  3.6898 0.000000       0.000000 
1 1 1 4  0  66 o 51.905  3.5115 21.539   2.8273  21.539   2.8273  21.539   2.8273  51.905  3.5115 51.905  3.5115 0.000000       0.000000 
1 1 1 4  0  67 o 180.253 4.3983 257.914  12.412  257.914  12.412  257.914  12.412  180.253 4.3983 180.253 4.3983 0.000000       0.000000 
1 1 1 4  0  68 o 129.995 2.5707 133.149  5.2341  133.149  5.2341  133.149  5.2341  129.995 2.5707 129.995 2.5707 0.000000       0.000000 
1 1 1 4  0  69 o 51.899  2.3864 21.325   1.9322  21.325   1.9322  21.325   1.9322  51.899  2.3864 51.899  2.3864 0.000000       0.000000 
1 1 1 4  0  70 o 6.9374  4.5668 -0.2168  1.2645  -0.2168  1.2645  -0.2168  1.2645  6.9374  4.5668 6.9374  4.5668 0.000000       0.000000 
1 1 1 4  0  71 o 7.7343  4.9198 0.1633   1.3073  0.1633   1.3073  0.1633   1.3073  7.7343  4.9198 7.7343  4.9198 -0.000000      0.000000 
1 1 1 4  0  72 o 37.217  2.7054 11.097   1.5593  11.097   1.5593  11.097   1.5593  37.217  2.7054 37.217  2.7054 0.000000       0.000000 
1 1 1 4  0  73 f 35.625  2.6985 10.189   1.4872  10.189   1.4872  10.189   1.4872  35.625  2.6985 35.625  2.6985 -0.000000      0.000000 
1 1 1 4  0  74 o 35.914  2.6471 10.352   1.4717  10.352   1.4717  10.352   1.4717  35.914  2.6471 35.914  2.6471 0.000000       0.000000 
1 1 1 4  0  75 o 68.199  2.6190 36.932   2.7907  36.932   2.7907  36.932   2.7907  68.199  2.6190 68.199  2.6190 0.000000       0.000000 
1 1 1 4  0  76 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  77 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  78 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  79 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  0  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  0  o 129.782 1.3703 132.072  2.7872  132.072  2.7872  132.072  2.7872  129.782 1.3703 129.782 1.3703 0.000000       0.000000 
1 1 1 4  1  1  o 315.843 1.9427 782.000  9.6189  771.647  13.422  792.933  13.792  313.732 2.7290 318.029 2.7664 -4.296967      3.885900 
1 1 1 4  1  2  o 398.922 2.4137 1247.56  15.095  1210.23  20.672  1290.20  22.093  392.882 3.3564 405.652 3.4741 -12.76987      4.830588 
1 1 1 4  1  3  o 716.906 4.4402 4030.44  49.902  4080.16  68.431  3973.98  72.926  721.168 6.0529 711.671 6.5366 9.497009       8.908677 
1 1 1 4  1  4  o 215.223 1.4559 363.098  4.9123  368.375  6.7386  357.114  7.1760  216.777 1.9829 213.436 2.1447 3.340744       2.920877 
1 1 1 4  1  5  o 983.891 6.0730 7594.50  93.671  7770.87  129.904 7403.46  135.196 994.866 8.3292 970.953 8.8820 23.91364       12.17644 
1 1 1 4  1  6  o 462.719 2.9016 1678.59  21.048  1705.61  28.963  1648.35  30.639  466.388 3.9614 458.480 4.2629 7.907959       5.819354 
1 1 1 4  1  7  o 276.304 1.8024 598.453  7.8070  620.500  10.943  575.605  11.141  281.337 2.4813 270.966 2.6227 10.37115       3.610404 
1 1 1 4  1  8  o 136.217 1.2188 145.446  2.6026  141.791  3.6055  149.422  3.7608  134.492 1.7101 138.064 1.7376 -3.571594      2.437937 
1 1 1 4  1  9  o 333.933 2.0475 874.144  10.719  865.789  13.884  886.472  16.864  332.322 2.6650 336.255 3.1992 -3.933777      4.163730 
1 1 1 4  1  10 o 182.754 1.2835 261.803  3.6772  261.779  4.9818  261.831  5.4503  182.743 1.7390 182.760 1.9023 -0.1710510E-01 2.577384 
1 1 1 4  1  11 o 729.496 4.5164 4173.18  51.650  4174.54  69.922  4171.55  76.627  729.477 6.1143 729.154 6.7036 0.3231201      9.073202 
1 1 1 4  1  12 o 251.207 1.6596 494.668  6.5358  486.596  8.7118  505.060  9.8850  249.143 2.2305 253.823 2.4842 -4.679504      3.338658 
1 1 1 4  1  13 o 130.013 1.0249 132.497  2.0890  132.530  2.8292  132.457  3.0975  130.028 1.3879 129.992 1.5200 0.3642273E-01  2.058336 
1 1 1 4  1  14 o 210.018 1.4309 345.745  4.7109  341.929  6.3108  350.547  7.0799  208.852 1.9275 211.466 2.1357 -2.613724      2.876846 
1 1 1 4  1  15 o 74.563  0.8393 43.579   0.9811  41.519   1.2942  46.362   1.5042  72.779  1.1343 76.906  1.2477 -4.127792      1.686223 
1 1 1 4  1  16 o 437.144 2.7493 1498.09  18.841  1483.48  25.247  1516.46  28.304  434.980 3.7024 439.775 4.1055 -4.794891      5.528362 
1 1 1 4  1  17 o 316.635 2.0384 785.917  10.118  774.354  13.488  800.801  15.302  314.287 2.7375 319.603 3.0541 -5.316376      4.101412 
1 1 1 4  1  18 o 84.321  0.8387 55.732   1.1086  56.170   1.5568  55.281   1.5790  84.652  1.1731 83.979  1.1994 0.6730423      1.677735 
1 1 1 4  1  19 o 273.078 1.7930 584.552  7.6759  582.120  11.336  586.611  10.431  272.500 2.6537 273.552 2.4323 -1.051941      3.599793 
1 1 1 4  1  20 o 481.762 2.8902 1819.51  21.828  1813.83  30.752  1825.29  30.989  480.971 4.0785 482.487 4.0970 -1.515930      5.780975 
1 1 1 4  1  21 o 540.711 3.3741 2292.17  28.601  2241.87  41.427  2337.98  39.534  534.680 4.9424 546.037 4.6184 -11.35724      6.764400 
1 1 1 4  1  22 f 334.266 2.3780 875.901  12.461  875.712  16.694  876.138  18.725  334.216 3.1863 334.289 3.5731 -0.7305908E-01 4.787470 
1 1 1 4  1  23 o 306.834 2.0906 738.018  10.056  730.159  15.778  743.393  13.050  305.177 3.2980 307.941 2.7032 -2.763794      4.264285 
1 1 1 4  1  24 o 830.630 5.6759 5411.38  73.909  5476.23  112.305 5361.83  98.163  835.261 8.5768 826.619 7.5751 8.641968       11.44305 
1 1 1 4  1  25 o 405.930 2.5738 1291.76  16.378  1294.60  27.296  1290.16  20.474  406.329 4.2851 405.664 3.2194 0.6658020      5.359750 
1 1 1 4  1  26 o 105.448 0.9688 87.158   1.6016  84.701   2.7234  88.457   1.9801  103.949 1.6713 106.230 1.1890 -2.281296      2.051075 
1 1 1 4  1  27 o 466.080 3.0745 1703.06  22.464  1707.29  41.144  1701.27  26.814  466.549 5.6254 465.815 3.6719 0.7347717      6.717699 
1 1 1 4  1  28 o 368.448 2.4722 1064.23  14.280  1069.54  22.728  1060.76  18.355  369.330 3.9255 367.832 3.1831 1.498352       5.053885 
1 1 1 4  1  29 o 412.020 2.6126 1330.84  16.875  1334.68  25.106  1327.68  22.791  412.574 3.8817 411.503 3.5329 1.070831       5.248698 
1 1 1 4  1  30 o 106.952 1.0356 89.663   1.7363  93.216   2.7870  87.410   2.2197  109.048 1.6303 105.599 1.3408 3.449539       2.110854 
1 1 1 4  1  31 o 550.506 3.6069 2376.25  31.128  2377.73  49.202  2375.27  40.195  550.540 5.7008 550.331 4.6590 0.2091064      7.362422 
1 1 1 4  1  32 o 550.539 3.6071 2376.59  31.131  2374.58  40.160  2379.62  49.278  550.240 4.6557 550.741 5.7076 -0.5015259     7.365628 
1 1 1 4  1  33 o 435.948 2.8887 1490.05  19.742  1501.36  25.683  1473.72  30.865  437.562 3.7442 433.472 4.5420 4.089264       5.886349 
1 1 1 4  1  34 o 648.989 5.4683 3304.66  55.635  3317.16  68.471  3280.36  95.442  650.053 6.7190 645.972 9.4248 4.080444       11.57460 
1 1 1 4  1  35 o 239.361 2.2014 449.166  8.2605  453.073  10.277  442.032  13.886  240.388 2.7270 237.412 3.7309 2.975662       4.621276 
1 1 1 4  1  36 o 284.571 2.5438 634.926  11.348  633.779  13.950  637.172  19.514  284.294 3.1300 284.998 4.3676 -0.7044678     5.373312 
1 1 1 4  1  37 o 340.966 2.9819 911.652  15.939  910.437  19.564  914.050  27.487  340.702 3.6630 341.272 5.1377 -0.5702820     6.309771 
1 1 1 4  1  38 o 429.445 3.6867 1446.62  24.820  1436.61  30.237  1467.31  43.455  427.879 4.5078 432.188 6.4137 -4.308472      7.839395 
1 1 1 4  1  39 o 614.527 5.1932 2964.83  50.030  2961.42  61.251  2971.68  86.720  613.927 6.3642 614.251 9.0057 -0.3242188     11.02754 
1 1 1 4  1  40 o 162.992 1.8211 208.288  4.6532  214.173  6.2327  200.876  6.9943  165.264 2.4057 160.040 2.7878 5.224121       3.682294 
1 1 1 4  1  41 o 165.802 1.5764 215.516  4.0975  215.023  6.2642  215.885  5.4172  165.594 2.4131 165.934 2.0825 -0.3400574     3.187445 
1 1 1 4  1  42 o 170.874 1.4128 228.898  3.7846  225.999  5.5858  231.358  5.1456  169.774 2.0988 171.780 1.9108 -2.005768      2.838291 
1 1 1 4  1  43 o 315.544 2.1557 780.732  10.664  778.460  14.999  783.055  15.164  315.029 3.0370 315.955 3.0615 -0.9266052     4.312382 
1 1 1 4  1  44 o 125.898 1.1341 124.252  2.2383  124.774  3.1484  123.718  3.1828  126.156 1.5919 125.620 1.6162 0.5353851      2.268565 
1 1 1 4  1  45 o 109.778 1.1641 94.473   2.0035  97.802   2.6609  90.116   3.0442  111.691 1.5197 107.208 1.8113 4.483284       2.364393 
1 1 1 4  1  46 o 277.264 2.0385 602.793  8.8606  598.933  11.732  607.920  13.519  276.336 2.7081 278.374 3.0979 -2.037903      4.114706 
1 1 1 4  1  47 o 68.051  1.1500 36.304   1.2269  35.527   1.5381  37.663   2.0343  67.317  1.4575 69.306  1.8723 -1.989616      2.372754 
1 1 1 4  1  48 o 111.176 1.1235 96.894   1.9581  95.836   2.4488  98.770   3.2608  110.563 1.4128 112.235 1.8533 -1.672005      2.330365 
1 1 1 4  1  49 o 36.705  1.5244 10.563   0.8771  11.828   1.0900  8.2384   1.4775  38.839  1.7902 32.270  2.9534 6.568340       3.453644 
1 1 1 4  1  50 o 60.202  1.1768 28.413   1.1107  28.481   1.3785  28.289   1.8752  60.271  1.4590 60.062  1.9916 0.2094841      2.468783 
1 1 1 4  1  51 f 116.133 1.1767 105.733  2.1423  104.083  2.7293  108.380  3.4578  115.217 1.5111 117.562 1.8762 -2.345078      2.409009 
1 1 1 4  1  52 o 166.179 1.3910 216.515  3.6238  213.913  4.7020  220.322  5.6871  165.162 1.8160 167.602 2.1645 -2.440353      2.825400 
1 1 1 4  1  53 o 138.617 1.2533 150.647  2.7236  150.389  3.5219  151.031  4.2958  138.488 1.6222 138.770 1.9747 -0.2823792     2.555574 
1 1 1 4  1  54 o 261.900 2.2247 538.089  9.1339  535.494  13.862  540.081  12.143  261.125 3.3862 262.301 2.9530 -1.176300      4.492957 
1 1 1 4  1  55 o 80.857  1.4456 51.266   1.8324  49.039   3.0965  52.466   2.2732  79.050  2.4987 81.789  1.7729 -2.739204      3.063774 
1 1 1 4  1  56 o 91.125  1.4194 65.116   2.0277  63.950   3.4628  65.725   2.5014  90.265  2.4471 91.539  1.7431 -1.273582      3.004480 
1 1 1 4  1  57 o 238.162 2.7283 445.458  10.186  434.834  20.108  449.126  11.814  234.624 5.4670 239.063 3.1525 -4.439438      6.310821 
1 1 1 4  1  58 o 21.223  3.5209 3.6374   1.1303  4.3008   2.4875  3.4647   1.2689  22.997  6.5716 20.617  4.0705 2.379587       7.730140 
1 1 1 4  1  59 o 119.941 1.7944 112.887  3.3740  108.624  6.7861  114.287  3.8888  117.442 3.6859 120.661 2.0559 -3.219170      4.220477 
1 1 1 4  1  60 o 63.539  1.6745 31.680   1.6679  29.758   3.5643  32.219   1.8873  61.335  3.7245 64.068  1.8791 -2.733105      4.171691 
1 1 1 4  1  61 o 60.395  2.1107 28.648   1.9984  29.132   3.4947  28.413   2.4360  60.668  3.6920 60.117  2.5848 0.5504723      4.506931 
1 1 1 4  1  62 o 77.708  1.3681 47.376   1.6667  43.197   4.0974  48.205   1.8244  74.006  3.5317 78.378  1.4848 -4.372414      3.831162 
1 1 1 4  1  63 o 81.123  1.3319 51.634   1.6938  54.783   4.3905  51.084   1.8360  83.342  3.3604 80.682  1.4516 2.660416       3.660496 
1 1 1 4  1  64 o 127.880 1.8874 128.458  3.7837  127.077  5.2973  129.896  5.4063  127.058 2.6595 128.454 2.6847 -1.396141      3.778991 
1 1 1 4  1  65 o 57.763  1.8236 26.210   1.6514  26.013   2.2932  26.423   2.3799  57.487  2.5446 57.930  2.6206 -0.4434967     3.652797 
1 1 1 4  1  66 o 111.977 1.7925 98.506   3.1467  99.753   4.4053  97.208   4.4962  112.564 2.4964 111.102 2.5815 1.462204       3.591135 
1 1 1 4  1  67 o 41.187  2.8397 13.439   1.8223  13.439   1.8223  0.0000   0.0000  41.187  2.8397 ?       ?      0.000000       2.839673 
1 1 1 4  1  68 o 129.905 2.6164 133.002  5.3283  133.002  5.3283  0.0000   0.0000  129.905 2.6164 ?       ?      0.000000       2.616419 
1 1 1 4  1  69 o 123.514 2.5406 120.245  4.9193  120.245  4.9193  0.0000   0.0000  123.514 2.5406 ?       ?      0.000000       2.540553 
1 1 1 4  1  70 o 34.807  2.9950 9.6445   1.6183  9.6445   1.6183  0.0000   0.0000  34.807  2.9950 ?       ?      0.000000       2.995006 
1 1 1 4  1  71 o 11.743  4.4269 0.8166   1.1107  0.4868   1.7227  1.0512   1.4531  12.909  5.3042 13.350  5.0560 -0.4411001     7.327832 
1 1 1 4  1  72 f 60.495  1.8698 28.797   1.7732  27.091   2.7675  29.985   2.3096  58.415  3.0326 61.654  2.3896 -3.239578      3.860890 
1 1 1 4  1  73 o 45.572  2.0288 16.361   1.4494  13.347   2.1227  18.994   1.9839  40.854  3.3436 48.957  2.5941 -8.103493      4.231925 
1 1 1 4  1  74 o 73.937  1.7947 43.038   2.0802  42.687   2.5065  43.815   3.7287  73.560  2.1736 74.248  3.2035 -0.6872864     3.871256 
1 1 1 4  1  75 o 13.217  4.2276 1.3818   0.9901  1.6030   1.1580  0.7806   1.9090  14.219  4.5746 13.909  5.6329 0.3105240      7.256515 
1 1 1 4  1  76 o 14.454  5.0646 1.5467   1.4174  3.9500   2.2075  -0.1395  1.8490  21.476  6.2068 12.101  5.2527 9.375492       8.131103 
1 1 1 4  1  77 o 35.092  3.0325 9.8882   1.6519  8.9039   2.5143  10.636   2.1910  32.591  5.0874 36.121  3.9329 -3.529911      6.430377 
1 1 1 4  1  78 o 15.272  4.8590 1.9028   1.3092  4.1608   2.1961  0.6579   1.6306  21.844  6.1515 12.780  5.1952 9.063582       8.051740 
1 1 1 4  1  79 o 50.935  2.9151 20.798   2.3180  0.0000   0.0000  20.798   2.3180  ?       ?      50.935  2.9151 0.000000       2.915087 
1 1 1 4  1  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  1  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  2  0  o 125.998 1.3760 124.485  2.7173  124.485  2.7173  124.485  2.7173  125.998 1.3760 125.998 1.3760 0.000000       0.000000 
1 1 1 4  2  1  o 418.974 2.6451 1376.16  17.373  1402.25  26.243  1355.81  23.179  422.883 3.9586 415.836 3.5557 7.047333       5.321069 
1 1 1 4  2  2  o 459.436 2.8899 1654.85  20.815  1601.12  29.816  1705.93  29.071  451.866 4.2090 466.431 3.9757 -14.56506      5.789841 
1 1 1 4  2  3  o 616.950 3.6756 2984.43  35.549  3041.43  51.239  2931.54  49.362  622.711 5.2489 611.364 5.1503 11.34637       7.353669 
1 1 1 4  2  4  o 484.751 2.9106 1842.25  22.118  1826.15  31.001  1858.93  31.566  482.582 4.0978 486.892 4.1356 -4.310303      5.821926 
1 1 1 4  2  5  o 195.797 1.3046 300.506  4.0044  305.593  5.7464  295.704  5.5834  197.443 1.8565 194.223 1.8338 3.220459       2.609474 
1 1 1 4  2  6  o 233.124 1.4996 426.011  5.4803  424.604  7.7253  427.436  7.7757  232.733 2.1174 233.508 2.1241 -0.7748413     2.999228 
1 1 1 4  2  7  o 711.105 4.2179 3965.25  47.021  3940.04  66.058  3991.14  66.945  708.698 5.9458 713.275 5.9870 -4.576904      8.437821 
1 1 1 4  2  8  o 139.486 1.0360 152.510  2.2654  158.094  3.2920  147.487  3.1222  142.015 1.4787 137.169 1.4520 4.846970       2.072348 
1 1 1 4  2  9  o 307.487 1.8326 741.156  8.8336  743.132  13.017  739.469  12.027  307.883 2.6969 307.127 2.4979 0.7562561      3.676011 
1 1 1 4  2  10 o 442.911 2.6714 1537.89  18.549  1554.28  26.500  1522.15  25.971  445.229 3.7968 440.604 3.7600 4.625000       5.343541 
1 1 1 4  2  11 o 260.647 1.6517 532.543  6.7489  532.112  9.5172  532.979  9.5719  260.534 2.3302 260.746 2.3417 -0.2120056     3.303517 
1 1 1 4  2  12 o 222.891 1.4519 389.429  5.0734  392.453  7.2033  386.451  7.1467  223.750 2.0536 222.032 2.0532 1.717560       2.903961 
1 1 1 4  2  13 f 118.718 0.9631 110.475  1.7925  112.158  2.5365  108.797  2.5334  119.617 1.3527 117.811 1.3717 1.805923       1.926498 
1 1 1 4  2  14 o 251.104 1.6009 494.256  6.3019  487.623  8.7765  501.316  9.0546  249.407 2.2447 252.884 2.2840 -3.477112      3.202393 
1 1 1 4  2  15 o 263.480 1.6039 544.178  6.6248  543.202  9.0006  545.331  9.7863  263.238 2.1811 263.751 2.3668 -0.5132141     3.218544 
1 1 1 4  2  16 o 256.418 1.5665 515.395  6.2968  520.945  8.6433  509.118  9.1921  257.789 2.1387 254.844 2.3008 2.944855       3.141354 
1 1 1 4  2  17 o 479.284 2.7677 1800.83  20.795  1797.19  28.261  1805.13  30.710  478.770 3.7653 479.814 4.0827 -1.044464      5.553915 
1 1 1 4  2  18 o 565.879 3.5312 2510.57  31.325  2518.72  42.526  2500.91  46.318  566.741 4.7865 564.710 5.2320 2.030640       7.091154 
1 1 1 4  2  19 o 74.660  0.8696 43.693   1.0178  41.815   1.3996  45.801   1.4827  73.037  1.2224 76.440  1.2373 -3.402367      1.739267 
1 1 1 4  2  20 o 613.657 3.6550 2952.46  35.161  2984.40  50.275  2921.88  49.193  616.889 5.1986 610.396 5.1409 6.492432       7.311283 
1 1 1 4  2  21 o 277.644 1.8282 604.267  7.9573  595.517  11.624  611.983  10.916  275.617 2.6903 279.404 2.4921 -3.787018      3.667206 
1 1 1 4  2  22 o 538.586 3.7259 2274.30  31.458  2313.75  47.973  2244.54  41.668  543.145 5.6342 534.996 4.9682 8.148926       7.511782 
1 1 1 4  2  23 f 433.095 3.0297 1470.51  20.570  1459.24  30.534  1479.87  27.835  431.386 4.5151 434.440 4.0870 -3.054657      6.090108 
1 1 1 4  2  24 o 591.235 4.0702 2740.86  37.725  2734.81  50.494  2748.50  56.757  590.506 5.4545 591.938 6.1164 -1.431885      8.195234 
1 1 1 4  2  25 o 334.810 2.2571 878.753  11.847  879.337  16.767  878.171  16.741  334.902 3.1936 334.681 3.1908 0.2220459      4.514411 
1 1 1 4  2  26 o 537.745 3.9356 2267.35  33.177  2240.57  46.381  2295.40  47.477  534.476 5.5355 540.971 5.5983 -6.495239      7.872932 
1 1 1 4  2  27 o 566.327 3.8998 2514.79  34.623  2525.82  46.715  2501.35  51.574  567.491 5.2511 564.696 5.8259 2.794678       7.843112 
1 1 1 4  2  28 o 355.905 2.5097 993.008  14.002  996.886  18.908  988.297  20.837  356.578 3.3825 355.028 3.7438 1.549774       5.045564 
1 1 1 4  2  29 o 70.603  0.9516 39.073   1.0532  41.502   1.4767  36.557   1.5027  72.764  1.2945 68.291  1.4037 4.473007       1.909459 
1 1 1 4  2  30 o 344.498 2.3170 930.371  12.513  943.301  17.955  918.159  17.448  346.859 3.3019 342.207 3.2525 4.652161       4.634799 
1 1 1 4  2  31 o 493.698 3.4237 1911.10  26.498  1899.40  35.297  1926.22  40.111  492.122 4.5752 495.547 5.1632 -3.425232      6.898637 
1 1 1 4  2  32 o 420.587 3.1191 1386.95  20.565  1383.53  28.972  1390.42  29.197  420.010 4.4001 421.053 4.4234 -1.043121      6.239147 
1 1 1 4  2  33 o 87.329  0.9576 59.779   1.3109  60.713   1.7707  58.647   1.9500  88.007  1.2835 86.496  1.4381 1.510658       1.927548 
1 1 1 4  2  34 o 523.387 3.8456 2148.31  31.553  2179.88  52.292  2130.23  39.568  526.982 6.3298 521.100 4.8436 5.882385       7.970339 
1 1 1 4  2  35 o 246.743 1.9507 477.287  7.5453  471.764  12.175  480.730  9.6143  245.281 3.1663 247.620 2.4767 -2.339096      4.019885 
1 1 1 4  2  36 o 269.201 2.0989 568.152  8.8577  568.097  14.455  568.185  11.209  269.143 3.4260 269.193 2.6560 -0.4953003E-01 4.334955 
1 1 1 4  2  37 o 222.323 1.7960 387.493  6.2595  392.266  10.317  384.713  7.8742  223.657 2.9426 221.513 2.2675 2.143784       3.714906 
1 1 1 4  2  38 o 483.226 3.3674 1831.50  25.509  1807.89  37.755  1851.32  34.601  479.912 5.0184 485.705 4.5442 -5.793365      6.770102 
1 1 1 4  2  39 o 381.389 2.8619 1140.82  17.111  1145.99  24.350  1135.77  24.050  382.138 4.0647 380.435 4.0325 1.702972       5.725618 
1 1 1 4  2  40 o 74.750  1.2375 43.801   1.4501  44.211   1.9211  43.259   2.2107  75.095  1.6319 74.280  1.8985 0.8155441      2.503427 
1 1 1 4  2  41 o 278.315 2.3252 607.388  10.145  602.320  13.308  614.418  15.674  277.111 3.0635 279.846 3.5728 -2.734924      4.706377 
1 1 1 4  2  42 o 236.139 2.0396 437.219  7.5502  438.825  10.014  435.104  11.493  236.544 2.7005 235.517 3.1129 1.026733       4.121048 
1 1 1 4  2  43 o 217.268 1.9126 370.119  6.5145  372.371  8.6569  367.179  9.8920  217.904 2.5342 216.361 2.9164 1.542557       3.863658 
1 1 1 4  2  44 o 348.950 2.5042 954.942  13.699  965.982  18.597  941.843  20.256  350.887 3.3808 346.439 3.7296 4.447510       5.033826 
1 1 1 4  2  45 o 115.977 1.2036 105.444  2.1884  106.098  2.9348  104.626  3.2841  116.330 1.6093 115.517 1.8135 0.8133087      2.424600 
1 1 1 4  2  46 o 98.885  1.0810 76.654   1.6757  75.319   2.1097  78.936   2.7583  98.017  1.3730 100.338 1.7536 -2.320328      2.227114 
1 1 1 4  2  47 f 147.437 1.2475 170.412  2.8834  171.041  3.6972  169.436  4.6067  147.702 1.5967 146.997 1.9991 0.7049408      2.558495 
1 1 1 4  2  48 o 175.956 1.3244 242.724  3.6531  242.224  4.5578  243.621  6.1091  175.767 1.6541 176.253 2.2110 -0.4866486     2.761260 
1 1 1 4  2  49 o 54.033  1.0975 22.888   0.9297  23.389   1.1408  21.898   1.6040  54.620  1.3323 52.844  1.9362 1.775654       2.350292 
1 1 1 4  2  50 o 180.383 1.3411 255.099  3.7923  255.490  4.7461  254.409  6.3070  180.511 1.6772 180.105 2.2338 0.4051819      2.793320 
1 1 1 4  2  51 o 110.136 1.2272 95.098   2.1189  95.282   2.9363  94.898   3.0607  110.233 1.6992 110.009 1.7747 0.2241821      2.456992 
1 1 1 4  2  52 o 300.684 2.3551 709.224  11.101  708.475  14.038  710.473  18.138  300.455 2.9804 300.753 3.8470 -0.2982483     4.866457 
1 1 1 4  2  53 o 144.109 1.4535 162.836  3.2837  163.431  4.1499  161.839  5.3701  144.358 1.8338 143.627 2.3850 0.7310486      3.008489 
1 1 1 4  2  54 o 239.521 1.9634 449.997  7.3724  445.810  9.2495  457.291  12.208  238.357 2.4754 241.315 3.2271 -2.958145      4.067108 
1 1 1 4  2  55 o 197.847 1.8289 307.027  5.6725  305.818  7.4626  308.682  8.7297  197.407 2.4114 198.287 2.8084 -0.8803101     3.701608 
1 1 1 4  2  56 o 213.079 2.0641 356.241  6.8949  355.574  9.6945  356.923  9.8081  212.774 2.9064 213.173 2.9349 -0.3990326     4.130495 
1 1 1 4  2  57 o 61.221  1.5215 29.397   1.4603  27.594   1.9856  31.520   2.1551  59.295  2.1360 63.372  2.1693 -4.077049      3.044421 
1 1 1 4  2  58 f 43.166  2.0121 14.624   1.3616  14.230   2.1868  14.874   1.7400  42.405  3.3160 43.440  2.5665 -1.035877      4.193178 
1 1 1 4  2  59 o 118.234 1.8715 109.715  3.4689  108.381  7.0367  110.144  3.9871  117.272 3.8276 118.440 2.1473 -1.168571      4.388772 
1 1 1 4  2  60 o 58.125  1.8922 26.522   1.7242  27.949   3.6103  26.100   1.9624  59.399  3.8988 57.647  2.1715 1.751038       4.462713 
1 1 1 4  2  61 o 56.305  2.2913 24.911   2.0225  17.922   3.3089  29.080   2.5554  47.382  4.5090 60.807  2.6807 -13.42474      5.245730 
1 1 1 4  2  62 o 146.631 2.0200 168.888  4.6435  169.150  9.5319  168.806  5.3170  146.244 4.1576 146.547 2.3144 -0.3029175     4.758404 
1 1 1 4  2  63 o 95.748  2.4038 72.097   3.6081  0.0000   0.0000  72.097   3.6081  ?       ?      95.748  2.4038 0.000000       2.403761 
1 1 1 4  2  64 o 14.331  4.4994 1.6133   1.1258  6.0506   2.6479  0.6342   1.2438  26.922  6.3727 11.736  4.6146 15.18686       7.868081 
1 1 1 4  2  65 o 79.030  1.5314 49.033   1.8973  46.945   3.0671  50.328   2.4147  77.223  2.5336 80.030  1.9247 -2.807037      3.181721 
1 1 1 4  2  66 o 66.191  1.5259 34.400   1.5833  34.613   2.6144  34.276   1.9898  66.301  2.5153 66.040  1.9220 0.2607956      3.165570 
1 1 1 4  2  67 o 72.968  1.3159 41.790   1.5052  44.854   2.8683  40.625   1.7682  75.475  2.4242 71.924  1.5682 3.550751       2.887243 
1 1 1 4  2  68 o 61.287  1.2851 29.481   1.2347  30.985   2.4190  28.952   1.4358  62.717  2.4604 60.718  1.5085 1.999130       2.885990 
1 1 1 4  2  69 o 26.321  2.8943 5.5354   1.1746  5.0329   1.5850  6.1474   1.7493  24.814  4.2262 27.492  4.1913 -2.678902      5.952067 
1 1 1 4  2  70 o 23.350  3.2327 4.3959   1.1516  5.2407   1.5800  3.4387   1.6819  25.342  4.1186 20.301  5.2468 5.041203       6.670210 
1 1 1 4  2  71 o 136.878 1.9333 147.432  4.1485  149.388  5.8177  145.408  5.9174  137.528 2.6984 135.651 2.7826 1.876984       3.876109 
1 1 1 4  2  72 o 35.191  2.5888 9.8337   1.4181  10.234   1.6998  8.9176   2.5722  35.814  3.0568 32.869  5.1620 2.945694       5.999236 
1 1 1 4  2  73 o 46.194  2.1990 16.829   1.5924  18.444   1.9094  13.140   2.8861  48.246  2.5333 40.140  4.6740 8.106136       5.316422 
1 1 1 4  2  74 o 47.532  2.0764 17.817   1.5472  17.559   1.8177  18.494   2.9477  47.064  2.4723 47.892  3.9618 -0.8277016     4.669916 
1 1 1 4  2  75 f 21.010  3.6085 3.6243   1.1457  4.4841   1.3031  0.6949   2.4052  23.408  3.6717 15.027  6.2298 8.380951       7.231328 
1 1 1 4  2  76 o 25.972  6.5864 5.8945   2.6856  5.8945   2.6856  0.0000   0.0000  25.972  6.5864 ?       ?      0.000000       6.586373 
1 1 1 4  2  77 o 19.839  7.0295 3.1193   2.7368  3.1193   2.7368  0.0000   0.0000  19.839  7.0295 ?       ?      0.000000       7.029508 
1 1 1 4  2  78 o 47.423  4.0042 18.356   2.9490  0.0000   0.0000  18.356   2.9490  ?       ?      47.423  4.0042 0.000000       4.004249 
1 1 1 4  2  79 o 30.692  3.8602 7.7516   1.8162  9.4695   2.7498  6.4222   2.4189  33.249  5.4655 27.091  5.8656 6.157879       8.017327 
1 1 1 4  2  80 o 37.493  3.2631 11.399   1.8988  11.332   2.9684  11.445   2.4704  36.397  5.3632 37.112  4.3274 -0.7156754     6.891275 
1 1 1 4  2  81 o 16.881  5.0780 2.4343   1.4533  2.8745   2.2708  2.1289   1.8913  18.556  6.4154 16.449  5.8421 2.106615       8.676866 
1 1 1 4  2  82 f 15.809  5.1218 2.0850   1.4497  3.1108   2.1749  1.2649   1.9446  18.979  6.2801 14.621  5.7633 4.358730       8.523818 
1 1 1 4  2  83 o 26.432  4.6245 5.9654   1.8464  0.0000   0.0000  5.9654   1.8464  ?       ?      26.432  4.6245 0.000000       4.624526 
1 1 1 4  2  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  2  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  2  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  2  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  3  0  o 470.182 3.7113 1733.43  27.351  1733.43  27.351  1733.43  27.351  470.182 3.7113 470.182 3.7113 0.000000       0.000000 
1 1 1 4  3  1  o 67.112  0.7848 35.304   0.8257  35.387   1.1654  35.221   1.1699  67.190  1.1064 67.032  1.1133 0.1581879      1.569601 
1 1 1 4  3  2  o 255.990 1.5153 513.679  6.0810  511.328  8.5639  516.069  8.6362  255.396 2.1390 256.578 2.1471 -1.181152      3.030700 
1 1 1 4  3  3  o 290.457 1.6868 661.326  7.6808  648.747  10.656  674.930  11.081  287.672 2.3628 293.419 2.4091 -5.747070      3.374399 
1 1 1 4  3  4  o 116.856 0.8908 107.037  1.6320  106.133  2.2934  107.964  2.3228  116.361 1.2572 117.360 1.2625 -0.9994583     1.781726 
1 1 1 4  3  5  o 313.741 1.8043 771.613  8.8741  774.574  12.594  768.693  12.506  314.331 2.5558 313.136 2.5476 1.195282       3.608669 
1 1 1 4  3  6  o 343.360 1.9578 924.188  10.538  931.556  15.012  917.028  14.798  344.711 2.7779 342.013 2.7599 2.698090       3.915866 
1 1 1 4  3  7  o 138.028 1.0112 149.338  2.1881  148.076  3.1850  150.466  3.0112  137.442 1.4782 138.547 1.3864 -1.104828      2.026634 
1 1 1 4  3  8  o 376.217 2.1285 1109.54  12.553  1103.99  17.657  1115.22  17.850  375.255 3.0015 377.159 3.0190 -1.903748      4.257185 
1 1 1 4  3  9  o 32.899  1.0243 8.4841   0.5283  7.6997   0.7037  9.4972   0.7997  31.341  1.4322 34.808  1.4656 -3.466553      2.049179 
1 1 1 4  3  10 o 213.963 1.3118 358.852  4.4002  359.151  6.2147  358.552  6.2309  214.048 1.8521 213.869 1.8584 0.1784821      2.623720 
1 1 1 4  3  11 o 260.444 1.5960 531.709  6.5162  542.489  9.7567  523.029  8.7551  263.062 2.3659 258.303 2.1621 4.758789       3.205014 
1 1 1 4  3  12 o 159.041 1.1503 198.269  2.8679  200.257  4.0640  196.297  4.0478  159.834 1.6219 158.246 1.6317 1.588226       2.300646 
1 1 1 4  3  13 o 333.081 1.9789 869.673  10.333  852.498  14.884  885.655  14.357  329.761 2.8791 336.115 2.7248 -6.354706      3.964035 
1 1 1 4  3  14 o 33.101  1.1989 8.5883   0.6221  8.5758   0.8537  8.6025   0.9084  33.076  1.6465 33.081  1.7580 -0.4669189E-02 2.408594 
1 1 1 4  3  15 o 671.270 4.3724 3533.28  46.012  3515.92  64.733  3551.00  65.414  669.497 6.1677 672.826 6.2018 -3.329285      8.746532 
1 1 1 4  3  16 o 266.036 1.8501 554.794  7.7161  558.472  10.952  551.169  10.873  266.907 2.6174 265.156 2.6157 1.750854       3.700385 
1 1 1 4  3  17 o 299.737 2.1610 704.274  10.154  709.810  13.702  697.531  15.123  300.901 2.9048 298.282 3.2341 2.619568       4.347075 
1 1 1 4  3  18 o 237.329 2.0095 441.527  7.4764  429.722  9.6813  458.968  11.768  234.128 2.6377 241.958 3.1025 -7.829956      4.072184 
1 1 1 4  3  19 o 549.513 4.3002 2367.73  37.044  2352.71  48.678  2388.40  57.100  547.697 5.6695 551.776 6.6011 -4.078064      8.701579 
1 1 1 4  3  20 o 774.073 6.0069 4699.88  72.893  4678.79  95.980  4728.60  112.048 772.139 7.9293 776.076 9.2097 -3.937622      12.15288 
1 1 1 4  3  21 o 333.668 2.3865 872.769  12.483  875.965  16.825  868.854  18.619  334.263 3.2108 332.896 3.5678 1.367126       4.799792 
1 1 1 4  3  22 o 198.252 1.9120 308.099  5.9425  308.218  8.3920  307.980  8.4160  198.283 2.6998 198.207 2.7085 0.7658386E-01  3.824247 
1 1 1 4  3  23 o 225.029 1.9299 396.948  6.8083  395.665  8.9869  398.677  10.430  224.659 2.5517 225.507 2.9504 -0.8483887     3.900762 
1 1 1 4  3  24 o 231.722 1.9733 420.915  7.1683  421.010  9.4947  420.788  10.931  231.741 2.6135 231.674 3.0099 0.6663513E-01  3.986196 
1 1 1 4  3  25 o 420.090 2.7939 1383.51  18.400  1393.27  29.252  1377.12  23.668  421.517 4.4268 419.096 3.6024 2.420441       5.707359 
1 1 1 4  3  26 o 675.082 4.6338 3573.89  49.040  3529.72  72.576  3611.01  66.525  670.704 6.9025 678.447 6.2548 -7.742859      9.314882 
1 1 1 4  3  27 o 369.924 2.6202 1072.80  15.195  1070.16  20.382  1076.09  22.797  369.446 3.5192 370.456 3.9254 -1.010345      5.272013 
1 1 1 4  3  28 o 274.910 2.0033 592.444  8.6338  597.429  13.007  588.517  11.543  276.048 3.0057 273.987 2.6875 2.060638       4.031992 
1 1 1 4  3  29 o 779.229 5.0597 4762.51  61.808  4750.65  87.178  4774.50  87.642  778.007 7.1477 779.955 7.1679 -1.947449      10.12267 
1 1 1 4  3  30 o 516.140 3.2352 2088.73  26.177  2092.62  35.532  2084.12  38.711  516.559 4.3878 515.483 4.7903 1.075745       6.496174 
1 1 1 4  3  31 o 214.815 1.4883 361.728  5.0120  371.890  6.9866  350.954  7.1939  217.806 2.0462 211.584 2.1688 6.221268       2.981734 
1 1 1 4  3  32 o 327.351 2.1177 840.065  10.867  833.379  14.621  848.318  16.245  326.027 2.8607 328.927 3.1503 -2.900024      4.255358 
1 1 1 4  3  33 o 557.208 3.3358 2434.60  29.139  2464.22  41.739  2406.44  40.699  560.474 4.7504 553.870 4.6873 6.603516       6.673584 
1 1 1 4  3  34 o 289.654 1.8237 657.716  8.2810  653.733  11.652  661.782  11.771  288.756 2.5740 290.528 2.5845 -1.771851      3.647643 
1 1 1 4  3  35 o 271.232 1.8065 576.726  7.6814  574.911  10.344  578.957  11.469  270.789 2.4367 271.732 2.6924 -0.9432068     3.631332 
1 1 1 4  3  36 o 271.102 1.9014 576.193  8.0808  572.670  11.371  579.786  11.486  270.248 2.6840 271.921 2.6944 -1.673492      3.803113 
1 1 1 4  3  37 o 78.083  1.0424 47.792   1.2759  49.148   1.8345  46.522   1.7758  79.180  1.4779 77.035  1.4705 2.144424       2.084818 
1 1 1 4  3  38 o 197.484 1.4885 305.738  4.6082  304.538  6.5109  306.942  6.5232  197.083 2.1073 197.859 2.1031 -0.7764740     2.977204 
1 1 1 4  3  39 o 55.893  1.1063 24.489   0.9694  24.739   1.3934  24.254   1.3495  56.176  1.5823 55.622  1.5476 0.5534401      2.213296 
1 1 1 4  3  40 o 226.718 1.6525 402.978  5.8733  404.330  8.3476  401.653  8.2652  227.076 2.3450 226.323 2.3295 0.7524261      3.305379 
1 1 1 4  3  41 o 335.801 2.2919 884.222  12.065  895.262  17.283  873.728  16.850  337.821 3.2635 333.737 3.2207 4.084076       4.585100 
1 1 1 4  3  42 o 100.788 1.0894 79.631   1.7213  79.541   2.4543  79.719   2.4147  100.726 1.5543 100.839 1.5275 -0.1130371     2.179226 
1 1 1 4  3  43 o 122.049 1.1125 116.772  2.1285  115.489  2.8959  118.281  3.1392  121.371 1.5220 122.828 1.6303 -1.456673      2.230315 
1 1 1 4  3  44 o 296.421 1.9675 688.945  9.1426  690.091  12.428  687.592  13.498  296.625 2.6725 296.071 2.9081 0.5542603      3.949649 
1 1 1 4  3  45 o 141.738 1.1858 157.490  2.6347  155.793  3.5800  159.494  3.8916  140.965 1.6200 142.627 1.7405 -1.662247      2.377779 
1 1 1 4  3  46 o 168.446 1.3837 222.446  3.6539  223.693  4.7127  220.567  5.7856  168.908 1.7798 167.710 2.2006 1.197815       2.830213 
1 1 1 4  3  47 o 51.592  1.2997 20.867   1.0512  21.384   1.3168  19.960   1.7456  52.224  1.6084 50.450  2.2071 1.773968       2.730973 
1 1 1 4  3  48 o 137.726 1.1805 148.703  2.5489  146.064  3.1096  154.107  4.4499  136.493 1.4532 140.186 2.0249 -3.692993      2.492378 
1 1 1 4  3  49 o 215.563 1.5355 364.326  5.1888  367.094  6.5007  359.467  8.6136  216.364 1.9166 214.069 2.5667 2.295151       3.203319 
1 1 1 4  3  50 o 202.201 1.4660 320.558  4.6468  316.311  5.7119  328.871  7.9911  200.843 1.8141 204.755 2.4895 -3.911713      3.080390 
1 1 1 4  3  51 o 156.916 1.4321 193.053  3.5229  193.554  4.7634  192.449  5.2339  157.101 1.9341 156.643 2.1314 0.4574280      2.878129 
1 1 1 4  3  52 o 141.504 1.3668 156.995  3.0319  160.458  4.1678  153.102  4.4186  143.040 1.8587 139.716 2.0174 3.323380       2.743079 
1 1 1 4  3  53 o 101.053 1.2487 80.064   1.9782  79.868   2.6962  80.292   2.9114  100.918 1.7042 101.181 1.8354 -0.2634354     2.504656 
1 1 1 4  3  54 o 7.8165  3.4811 -0.3477  0.8614  0.0388   1.2164  -0.7365  1.2199  10.306  4.3614 8.8889  4.0343 1.416744       5.941146 
1 1 1 4  3  55 o 233.343 1.8213 427.102  6.6623  434.200  9.0919  418.871  9.7908  235.202 2.4658 230.981 2.7039 4.220581       3.659399 
1 1 1 4  3  56 o 104.827 1.2357 86.168   2.0307  84.085   2.7360  88.723   3.0302  103.535 1.6857 106.346 1.8176 -2.810570      2.478948 
1 1 1 4  3  57 o 93.595  1.3386 68.700   1.9640  69.835   2.4463  66.643   3.2942  94.351  1.6539 92.136  2.2807 2.215103       2.817291 
1 1 1 4  3  58 o 65.774  1.3838 33.933   1.4269  33.650   1.7521  34.489   2.4586  65.488  1.7066 66.269  2.3666 -0.7806015     2.917792 
1 1 1 4  3  59 o 98.569  1.3181 76.208   2.0368  76.604   2.5241  75.469   3.4487  98.806  1.6295 98.026  2.2442 0.7805481      2.773417 
1 1 1 4  3  60 o 114.879 1.5176 103.551  2.7330  105.530  3.3248  99.427   4.7993  115.945 1.8292 112.440 2.7227 3.504410       3.280129 
1 1 1 4  3  61 o 113.186 1.4675 100.526  2.6038  102.284  3.9634  99.191   3.4537  114.094 2.2159 112.385 1.9603 1.708321       2.958562 
1 1 1 4  3  62 o 141.688 1.6795 157.601  3.7306  154.337  5.2336  160.972  5.3191  140.104 2.3829 143.086 2.3713 -2.981979      3.361716 
1 1 1 4  3  63 o 53.492  2.0617 22.486   1.7289  20.822   2.4454  24.148   2.4447  51.308  3.0540 55.301  2.8294 -3.993393      4.163265 
1 1 1 4  3  64 o 12.139  4.4779 0.9245   1.1244  2.8070   1.9070  -0.0789  1.3922  18.760  5.8505 10.730  4.6071 8.030279       7.446698 
1 1 1 4  3  65 o 45.240  1.9828 16.087   1.4062  15.662   2.3037  16.339   1.7753  44.406  3.3335 45.488  2.4992 -1.082272      4.166337 
1 1 1 4  3  66 o 45.298  2.1189 16.138   1.5047  14.486   3.0955  16.649   1.7218  42.383  4.7401 45.926  2.3998 -3.542194      5.312978 
1 1 1 4  3  67 o 69.426  1.7866 37.877   1.9445  36.989   4.1172  38.132   2.2060  68.182  3.8679 69.634  2.0209 -1.452248      4.364012 
1 1 1 4  3  68 o 15.807  4.0695 2.0608   1.0144  4.7984   1.6674  0.4519   1.2782  24.147  4.5721 11.387  4.6101 12.76009       6.492871 
1 1 1 4  3  69 o 61.091  1.6041 29.323   1.5362  29.411   2.4536  29.266   1.9702  61.070  2.5628 60.985  2.0608 0.8510208E-01  3.288619 
1 1 1 4  3  70 o 42.627  1.8282 14.291   1.2217  13.325   1.9493  14.915   1.5679  40.928  3.0603 43.444  2.3104 -2.516132      3.834455 
1 1 1 4  3  71 o 89.258  1.5443 62.611   2.1608  61.275   3.4185  63.500   2.7886  88.120  2.4746 89.814  1.9806 -1.693619      3.169572 
1 1 1 4  3  72 o 19.023  3.1465 2.9437   0.9055  3.9076   1.6407  2.5215   1.0859  21.598  4.9515 17.424  4.0520 4.173952       6.398111 
1 1 1 4  3  73 o 85.032  1.4289 56.829   1.9048  55.236   3.2078  57.697   2.3673  83.611  2.4473 85.617  1.7638 -2.005920      3.016645 
1 1 1 4  3  74 o 40.720  2.4451 13.158   1.5536  11.696   1.7919  17.584   3.1180  38.258  3.0120 46.540  4.3230 -8.281342      5.268870 
1 1 1 4  3  75 o 25.214  3.3769 5.1615   1.3013  4.8915   1.4839  6.0603   2.7074  24.361  4.0262 26.391  6.5698 -2.029114      7.705359 
1 1 1 4  3  76 o 36.113  2.1192 10.341   1.1945  10.549   1.3103  9.3190   2.9060  36.437  2.3058 33.068  5.8183 3.369301       6.258490 
1 1 1 4  3  77 o 53.572  2.9673 22.967   2.4823  20.270   3.4405  25.895   3.5850  49.674  4.4658 56.391  4.0830 -6.716908      6.050983 
1 1 1 4  3  78 o 9.9210  4.6148 -1.3944  1.7383  0.6931   2.5558  -3.1911  2.3711  15.171  6.3658 10.351  4.9785 4.819901       8.081365 
1 1 1 4  3  79 o 13.921  5.5412 1.0175   1.8139  2.1946   2.5614  -0.1664  2.5689  17.622  6.7033 13.951  6.1207 3.670293       9.077334 
1 1 1 4  3  80 o 42.328  3.4081 14.561   2.2423  14.734   3.2050  14.396   3.1384  41.756  4.9953 41.297  4.9460 0.4582977      7.029681 
1 1 1 4  3  81 o 34.680  3.8325 9.9206   2.0488  8.2417   2.8911  11.614   2.9038  30.350  6.2834 36.854  5.1681 -6.504595      8.135765 
1 1 1 4  3  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  3  83 o 19.470  6.6049 3.3101   2.4042  0.0000   0.0000  3.3101   2.4042  ?       ?      19.470  6.6049 0.000000       6.604881 
1 1 1 4  3  84 o 26.617  4.5183 6.0572   1.8179  6.6701   2.6887  5.5410   2.4674  26.913  6.4556 24.543  6.3608 2.370264       9.062834 
1 1 1 4  3  85 o 22.738  4.8047 4.5231   1.6590  4.2984   2.4347  4.7178   2.2667  21.498  6.5953 22.602  6.2074 -1.103634      9.056970 
1 1 1 4  3  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  3  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 4  4  0  o 268.586 3.4319 565.760  14.445  565.760  14.445  565.760  14.445  268.586 3.4319 268.586 3.4319 -0.000000      0.000000 
1 1 1 4  4  1  o 461.650 4.3200 1671.29  31.258  1671.29  31.258  1671.29  31.258  461.650 4.3200 461.650 4.3200 -0.000000      0.000000 
1 1 1 4  4  2  o 146.327 1.5603 167.893  3.5782  167.893  3.5782  167.893  3.5782  146.327 1.5603 146.327 1.5603 -0.000000      0.000000 
1 1 1 4  4  3  o 355.538 3.3916 991.213  18.900  991.213  18.900  991.213  18.900  355.538 3.3916 355.538 3.3916 0.000000       0.000000 
1 1 1 4  4  4  o 529.734 4.9233 2200.72  40.877  2200.72  40.877  2200.72  40.877  529.734 4.9233 529.734 4.9233 0.000000       0.000000 
1 1 1 4  4  5  o 83.875  1.3701 55.188   1.8004  55.188   1.8004  55.188   1.8004  83.875  1.3701 83.875  1.3701 -0.000000      0.000000 
1 1 1 4  4  6  o 23.051  2.4289 4.3022   0.8554  4.3022   0.8554  4.3022   0.8554  23.051  2.4289 23.051  2.4289 -0.000000      0.000000 
1 1 1 4  4  7  o 146.110 1.7179 167.407  3.9337  167.407  3.9337  167.407  3.9337  146.110 1.7179 146.110 1.7179 -0.000000      0.000000 
1 1 1 4  4  8  o 102.311 1.4790 82.102   2.3710  82.102   2.3710  82.102   2.3710  102.311 1.4790 102.311 1.4790 -0.000000      0.000000 
1 1 1 4  4  9  o 451.801 4.7303 1600.89  33.495  1600.89  33.495  1600.89  33.495  451.801 4.7303 451.801 4.7303 0.000000       0.000000 
1 1 1 4  4  10 o 39.112  1.8008 12.067   1.0988  12.067   1.0988  12.067   1.0988  39.112  1.8008 39.112  1.8008 0.000000       0.000000 
1 1 1 4  4  11 o 195.589 3.2505 300.134  9.9605  300.134  9.9605  300.134  9.9605  195.589 3.2505 195.589 3.2505 -0.000000      0.000000 
1 1 1 4  4  12 o 761.608 7.8382 4550.78  93.561  4550.78  93.561  4550.78  93.561  761.608 7.8382 761.608 7.8382 -0.000000      0.000000 
1 1 1 4  4  13 o 424.335 4.4683 1412.11  29.716  1412.11  29.716  1412.11  29.716  424.335 4.4683 424.335 4.4683 0.000000       0.000000 
1 1 1 4  4  14 o 716.741 7.3792 4030.08  82.894  4030.08  82.894  4030.08  82.894  716.741 7.3792 716.741 7.3792 -0.000000      0.000000 
1 1 1 4  4  15 o 392.329 3.7168 1206.97  22.855  1206.97  22.855  1206.97  22.855  392.329 3.7168 392.329 3.7168 -0.000000      0.000000 
1 1 1 4  4  16 o 341.385 3.2715 913.855  17.505  913.855  17.505  913.855  17.505  341.385 3.2715 341.385 3.2715 -0.000000      0.000000 
1 1 1 4  4  17 o 409.180 4.3199 1313.04  27.704  1313.04  27.704  1313.04  27.704  409.180 4.3199 409.180 4.3199 -0.000000      0.000000 
1 1 1 4  4  18 o 245.488 2.7641 472.589  10.634  472.589  10.634  472.589  10.634  245.488 2.7641 245.488 2.7641 0.000000       0.000000 
1 1 1 4  4  19 o 759.397 7.8174 4524.41  93.042  4524.41  93.042  4524.41  93.042  759.397 7.8174 759.397 7.8174 0.000000       0.000000 
1 1 1 4  4  20 o 442.465 4.1617 1535.23  28.861  1535.23  28.861  1535.23  28.861  442.465 4.1617 442.465 4.1617 0.000000       0.000000 
1 1 1 4  4  21 o 504.484 4.7076 1995.86  37.223  1995.86  37.223  1995.86  37.223  504.484 4.7076 504.484 4.7076 0.000000       0.000000 
1 1 1 4  4  22 o 107.065 1.5545 89.909   2.6079  89.909   2.6079  89.909   2.6079  107.065 1.5545 107.065 1.5545 -0.000000      0.000000 
1 1 1 4  4  23 o 128.335 1.6463 129.164  3.3110  129.164  3.3110  129.164  3.3110  128.335 1.6463 128.335 1.6463 0.000000       0.000000 
1 1 1 4  4  24 o 132.797 1.6953 138.301  3.5280  138.301  3.5280  138.301  3.5280  132.797 1.6953 132.797 1.6953 -0.000000      0.000000 
1 1 1 4  4  25 o 37.532  1.8514 11.123   1.0833  11.123   1.0833  11.123   1.0833  37.532  1.8514 37.532  1.8514 0.000000       0.000000 
1 1 1 4  4  26 o 717.371 6.0345 4036.44  67.853  4036.44  67.853  4036.44  67.853  717.371 6.0345 717.371 6.0345 0.000000       0.000000 
1 1 1 4  4  27 o 330.998 3.1916 859.119  16.557  859.119  16.557  859.119  16.557  330.998 3.1916 330.998 3.1916 0.000000       0.000000 
1 1 1 4  4  28 o 482.248 4.5029 1823.89  34.035  1823.89  34.035  1823.89  34.035  482.248 4.5029 482.248 4.5029 -0.000000      0.000000 
1 1 1 4  4  29 o 150.751 1.6333 178.202  3.8589  178.202  3.8589  178.202  3.8589  150.751 1.6333 150.751 1.6333 -0.000000      0.000000 
1 1 1 4  4  30 o 229.354 2.1494 412.460  7.7266  412.460  7.7266  412.460  7.7266  229.354 2.1494 229.354 2.1494 0.000000       0.000000 
1 1 1 4  4  31 o 102.094 1.3932 81.748   2.2289  81.748   2.2289  81.748   2.2289  102.094 1.3932 102.094 1.3932 0.000000       0.000000 
1 1 1 4  4  32 o 361.974 3.1561 1027.45  17.906  1027.45  17.906  1027.45  17.906  361.974 3.1561 361.974 3.1561 -0.000000      0.000000 
1 1 1 4  4  33 o 538.196 4.5703 2271.94  38.554  2271.94  38.554  2271.94  38.554  538.196 4.5703 538.196 4.5703 0.000000       0.000000 
1 1 1 4  4  34 o 112.016 1.4117 98.404   2.4780  98.404   2.4780  98.404   2.4780  112.016 1.4117 112.016 1.4117 0.000000       0.000000 
1 1 1 4  4  35 o 116.109 1.4239 105.725  2.5909  105.725  2.5909  105.725  2.5909  116.109 1.4239 116.109 1.4239 0.000000       0.000000 
1 1 1 4  4  36 o 141.168 1.5497 156.274  3.4286  156.274  3.4286  156.274  3.4286  141.168 1.5497 141.168 1.5497 -0.000000      0.000000 
1 1 1 4  4  37 o 69.047  1.2882 37.411   1.3932  37.411   1.3932  37.411   1.3932  69.047  1.2882 69.047  1.2882 -0.000000      0.000000 
1 1 1 4  4  38 o 184.107 2.0320 265.822  5.8632  265.822  5.8632  265.822  5.8632  184.107 2.0320 184.107 2.0320 -0.000000      0.000000 
1 1 1 4  4  39 o 63.813  1.5950 31.982   1.5933  31.982   1.5933  31.982   1.5933  63.813  1.5950 63.813  1.5950 0.000000       0.000000 
1 1 1 4  4  40 o 349.427 3.3675 957.800  18.443  957.800  18.443  957.800  18.443  349.427 3.3675 349.427 3.3675 0.000000       0.000000 
1 1 1 4  4  41 o 618.461 5.7417 3003.49  55.657  3003.49  55.657  3003.49  55.657  618.461 5.7417 618.461 5.7417 -0.000000      0.000000 
1 1 1 4  4  42 o 151.031 1.8327 178.903  4.3377  178.903  4.3377  178.903  4.3377  151.031 1.8327 151.031 1.8327 0.000000       0.000000 
1 1 1 4  4  43 o 68.119  1.6302 36.438   1.7386  36.438   1.7386  36.438   1.7386  68.119  1.6302 68.119  1.6302 0.000000       0.000000 
1 1 1 4  4  44 o 247.374 2.5316 479.971  9.8153  479.971  9.8153  479.971  9.8153  247.374 2.5316 247.374 2.5316 -0.000000      0.000000 
1 1 1 4  4  45 o 56.425  1.7486 25.031   1.5434  25.031   1.5434  25.031   1.5434  56.425  1.7486 56.425  1.7486 -0.000000      0.000000 
1 1 1 4  4  46 o 133.823 1.7473 140.471  3.6642  140.471  3.6642  140.471  3.6642  133.823 1.7473 133.823 1.7473 -0.000000      0.000000 
1 1 1 4  4  47 o 241.470 2.4900 457.364  9.4236  457.364  9.4236  457.364  9.4236  241.470 2.4900 241.470 2.4900 -0.000000      0.000000 
1 1 1 4  4  48 o 13.656  5.1497 1.9765   1.0322  1.9765   1.0322  1.9765   1.0322  13.656  5.1497 13.656  5.1497 0.000000       0.000000 
1 1 1 4  4  49 o 31.584  2.2939 7.9455   1.1220  7.9455   1.1220  7.9455   1.1220  31.584  2.2939 31.584  2.2939 -0.000000      0.000000 
1 1 1 4  4  50 o 5.3915  3.5275 -0.1052  0.7377  -0.1052  0.7377  -0.1052  0.7377  5.3915  3.5275 5.3915  3.5275 0.000000       0.000000 
1 1 1 4  4  51 o 211.799 2.3170 351.920  7.6910  351.920  7.6910  351.920  7.6910  211.799 2.3170 211.799 2.3170 0.000000       0.000000 
1 1 1 4  4  52 o 58.671  1.9672 27.083   1.8047  27.083   1.8047  27.083   1.8047  58.671  1.9672 58.671  1.9672 -0.000000      0.000000 
1 1 1 4  4  53 o 5.9157  4.0743 -0.9360  1.2492  -0.9360  1.2492  -0.9360  1.2492  5.9157  4.0743 5.9157  4.0743 0.000000       0.000000 
1 1 1 4  4  54 o 45.454  2.1676 16.315   1.5365  16.315   1.5365  16.315   1.5365  45.454  2.1676 45.454  2.1676 0.000000       0.000000 
1 1 1 4  4  55 o 51.053  2.0162 20.539   1.6080  20.539   1.6080  20.539   1.6080  51.053  2.0162 51.053  2.0162 -0.000000      0.000000 
1 1 1 4  4  56 o 172.291 2.0286 232.955  5.4775  232.955  5.4775  232.955  5.4775  172.291 2.0286 172.291 2.0286 -0.000000      0.000000 
1 1 1 4  4  57 o 38.151  2.8117 11.613   1.6606  11.613   1.6606  11.613   1.6606  38.151  2.8117 38.151  2.8117 0.000000       0.000000 
1 1 1 4  4  58 o 64.796  1.7721 33.009   1.7970  33.009   1.7970  33.009   1.7970  64.796  1.7721 64.796  1.7721 -0.000000      0.000000 
1 1 1 4  4  59 f 259.654 2.6719 529.748  10.873  529.748  10.873  529.748  10.873  259.654 2.6719 259.654 2.6719 0.000000       0.000000 
1 1 1 4  4  60 o 22.896  3.3659 4.3809   1.1316  4.3809   1.1316  4.3809   1.1316  22.896  3.3659 22.896  3.3659 -0.000000      0.000000 
1 1 1 4  4  61 o 125.549 1.7428 123.763  3.4287  123.763  3.4287  123.763  3.4287  125.549 1.7428 125.549 1.7428 0.000000       0.000000 
1 1 1 4  4  62 o 120.588 2.0367 114.274  3.8478  114.274  3.8478  114.274  3.8478  120.588 2.0367 120.588 2.0367 0.000000       0.000000 
1 1 1 4  4  63 o 67.196  2.0749 35.563   2.1810  35.563   2.1810  35.563   2.1810  67.196  2.0749 67.196  2.0749 -0.000000      0.000000 
1 1 1 4  4  64 o 51.475  2.6152 20.999   2.0979  20.999   2.0979  20.999   2.0979  51.475  2.6152 51.475  2.6152 -0.000000      0.000000 
1 1 1 4  4  65 o 55.626  2.4745 24.478   2.1481  24.478   2.1481  24.478   2.1481  55.626  2.4745 55.626  2.4745 0.000000       0.000000 
1 1 1 4  4  66 o 7.8587  5.0843 -0.0257  1.4732  -0.0257  1.4732  -0.0257  1.4732  7.8587  5.0843 7.8587  5.0843 0.000000       0.000000 
1 1 1 4  4  67 o 10.557  5.9295 1.2068   1.4844  1.2068   1.4844  1.2068   1.4844  10.557  5.9295 10.557  5.9295 -0.000000      0.000000 
1 1 1 4  4  68 o 25.073  5.7548 5.7254   1.9698  5.7254   1.9698  5.7254   1.9698  25.073  5.7548 25.073  5.7548 0.000000       0.000000 
1 1 1 4  4  69 o 22.456  6.1007 4.8144   1.8565  4.8144   1.8565  4.8144   1.8565  22.456  6.1007 22.456  6.1007 -0.000000      0.000000 
1 1 1 4  4  70 o 23.493  6.2056 5.2389   1.9745  5.2389   1.9745  5.2389   1.9745  23.493  6.2056 23.493  6.2056 -0.000000      0.000000 
1 1 1 4  4  71 o 39.627  3.2242 12.667   1.9725  12.667   1.9725  12.667   1.9725  39.627  3.2242 39.627  3.2242 -0.000000      0.000000 
1 1 1 4  4  72 o 38.628  3.3944 12.100   2.0190  12.100   2.0190  12.100   2.0190  38.628  3.3944 38.628  3.3944 -0.000000      0.000000 
1 1 1 4  4  73 o 60.963  2.6958 29.548   2.5649  29.548   2.5649  29.548   2.5649  60.963  2.6958 60.963  2.6958 0.000000       0.000000 
1 1 1 4  4  74 o 14.943  6.6118 2.6312   1.6313  2.6312   1.6313  2.6312   1.6313  14.943  6.6118 14.943  6.6118 -0.000000      0.000000 
1 1 1 4  4  75 o 104.834 2.5498 87.126   4.1848  87.126   4.1848  87.126   4.1848  104.834 2.5498 104.834 2.5498 0.000000       0.000000 
1 1 1 4  4  76 f 51.871  2.1262 21.354   1.7223  21.354   1.7223  21.354   1.7223  51.871  2.1262 51.871  2.1262 -0.000000      0.000000 
1 1 1 4  4  77 o 20.726  4.1321 3.8279   1.1918  3.8279   1.1918  3.8279   1.1918  20.726  4.1321 20.726  4.1321 -0.000000      0.000000 
1 1 1 4  4  78 o 55.132  1.7931 24.062   1.5460  24.062   1.5460  24.062   1.5460  55.132  1.7931 55.132  1.7931 0.000000       0.000000 
1 1 1 4  4  79 o 10.407  6.8159 0.1423   2.7646  0.1423   2.7646  0.1423   2.7646  10.407  6.8159 10.407  6.8159 0.000000       0.000000 
1 1 1 4  4  80 o 89.897  4.0323 66.305   5.6566  66.305   5.6566  66.305   5.6566  89.897  4.0323 89.897  4.0323 0.000000       0.000000 
1 1 1 4  4  81 o 52.000  4.7743 22.984   3.8165  22.984   3.8165  22.984   3.8165  52.000  4.7743 52.000  4.7743 0.000000       0.000000 
1 1 1 4  4  82 o 48.279  5.4414 20.410   3.9837  20.410   3.9837  20.410   3.9837  48.279  5.4414 48.279  5.4414 -0.000000      0.000000 
1 1 1 4  4  83 o 27.280  8.5558 8.3364   3.2118  8.3364   3.2118  8.3364   3.2118  27.280  8.5558 27.280  8.5558 -0.000000      0.000000 
1 1 1 4  4  84 o 68.932  4.1381 39.761   4.4348  39.761   4.4348  39.761   4.4348  68.932  4.1381 68.932  4.1381 -0.000000      0.000000 
1 1 1 4  4  85 o 11.377  7.2070 1.2568   2.7723  1.2568   2.7723  1.2568   2.7723  11.377  7.2070 11.377  7.2070 -0.000000      0.000000 
1 1 1 4  4  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  0  o 409.285 6.0713 1314.19  38.936  1314.19  38.936  1314.19  38.936  409.285 6.0713 409.285 6.0713 0.000000       0.000000 
1 1 1 5  0  1  o 205.116 2.3446 329.930  7.5370  329.930  7.5370  329.930  7.5370  205.116 2.3446 205.116 2.3446 0.000000       0.000000 
1 1 1 5  0  2  o 570.223 5.2763 2550.16  47.157  2550.16  47.157  2550.16  47.157  570.223 5.2763 570.223 5.2763 0.000000       0.000000 
1 1 1 5  0  3  o 242.856 2.4044 462.464  9.1520  462.464  9.1520  462.464  9.1520  242.856 2.4044 242.856 2.4044 0.000000       0.000000 
1 1 1 5  0  4  o 1005.72 9.2010 7938.23  145.040 7938.23  145.040 7938.23  145.040 1005.72 9.2010 1005.72 9.2010 -0.000000      0.000000 
1 1 1 5  0  5  o 401.587 3.7707 1264.65  23.734  1264.65  23.734  1264.65  23.734  401.587 3.7707 401.587 3.7707 0.000000       0.000000 
1 1 1 5  0  6  o 96.121  1.3349 72.463   2.0106  72.463   2.0106  72.463   2.0106  96.121  1.3349 96.121  1.3349 -0.000000      0.000000 
1 1 1 5  0  7  o 271.207 2.6402 576.747  11.223  576.747  11.223  576.747  11.223  271.207 2.6402 271.207 2.6402 0.000000       0.000000 
1 1 1 5  0  8  o 52.155  1.2605 21.359   1.0293  21.359   1.0293  21.359   1.0293  52.155  1.2605 52.155  1.2605 -0.000000      0.000000 
1 1 1 5  0  9  o 213.035 2.1626 355.863  7.2208  355.863  7.2208  355.863  7.2208  213.035 2.1626 213.035 2.1626 0.000000       0.000000 
1 1 1 5  0  10 o 84.448  1.3039 55.940   1.7253  55.940   1.7253  55.940   1.7253  84.448  1.3039 84.448  1.3039 -0.000000      0.000000 
1 1 1 5  0  11 o 870.641 7.2801 5946.27  99.349  5946.27  99.349  5946.27  99.349  870.641 7.2801 870.641 7.2801 -0.000000      0.000000 
1 1 1 5  0  12 o 182.511 1.7495 261.178  5.0046  261.178  5.0046  261.178  5.0046  182.511 1.7495 182.511 1.7495 -0.000000      0.000000 
1 1 1 5  0  13 o 26.806  1.5955 5.6923   0.6651  5.6923   0.6651  5.6923   0.6651  26.806  1.5955 26.806  1.5955 -0.000000      0.000000 
1 1 1 5  0  14 o 52.390  1.1750 21.547   0.9639  21.547   0.9639  21.547   0.9639  52.390  1.1750 52.390  1.1750 -0.000000      0.000000 
1 1 1 5  0  15 o 641.817 5.4008 3230.48  54.332  3230.48  54.332  3230.48  54.332  641.817 5.4008 641.817 5.4008 0.000000       0.000000 
1 1 1 5  0  16 o 33.646  1.4362 8.9223   0.7544  8.9223   0.7544  8.9223   0.7544  33.646  1.4362 33.646  1.4362 0.000000       0.000000 
1 1 1 5  0  17 o 286.586 2.5306 643.963  11.367  643.963  11.367  643.963  11.367  286.586 2.5306 286.586 2.5306 0.000000       0.000000 
1 1 1 5  0  18 o 374.746 3.5404 1101.20  20.795  1101.20  20.795  1101.20  20.795  374.746 3.5404 374.746 3.5404 0.000000       0.000000 
1 1 1 5  0  19 o 403.269 3.4570 1275.15  21.851  1275.15  21.851  1275.15  21.851  403.269 3.4570 403.269 3.4570 -0.000000      0.000000 
1 1 1 5  0  20 o 163.463 1.6270 209.510  4.1683  209.510  4.1683  209.510  4.1683  163.463 1.6270 163.463 1.6270 0.000000       0.000000 
1 1 1 5  0  21 o 267.866 2.3882 562.583  10.027  562.583  10.027  562.583  10.027  267.866 2.3882 267.866 2.3882 -0.000000      0.000000 
1 1 1 5  0  22 o 559.802 5.1778 2457.64  45.431  2457.64  45.431  2457.64  45.431  559.802 5.1778 559.802 5.1778 -0.000000      0.000000 
1 1 1 5  0  23 o 757.877 6.3514 4504.93  75.449  4504.93  75.449  4504.93  75.449  757.877 6.3514 757.877 6.3514 0.000000       0.000000 
1 1 1 5  0  24 o 123.807 1.6633 120.216  3.2269  120.216  3.2269  120.216  3.2269  123.807 1.6633 123.807 1.6633 0.000000       0.000000 
1 1 1 5  0  25 o 266.083 2.6057 555.154  10.867  555.154  10.867  555.154  10.867  266.083 2.6057 266.083 2.6057 0.000000       0.000000 
1 1 1 5  0  26 o 348.940 3.3107 954.760  18.107  954.760  18.107  954.760  18.107  348.940 3.3107 348.940 3.3107 0.000000       0.000000 
1 1 1 5  0  27 o 226.869 2.3085 403.586  8.2084  403.586  8.2084  403.586  8.2084  226.869 2.3085 226.869 2.3085 0.000000       0.000000 
1 1 1 5  0  28 o 173.898 2.1064 237.151  5.7404  237.151  5.7404  237.151  5.7404  173.898 2.1064 173.898 2.1064 0.000000       0.000000 
1 1 1 5  0  29 o 125.616 1.8044 123.766  3.5517  123.766  3.5517  123.766  3.5517  125.616 1.8044 125.616 1.8044 0.000000       0.000000 
1 1 1 5  0  30 o 376.580 3.9653 1112.18  23.404  1112.18  23.404  1112.18  23.404  376.580 3.9653 376.580 3.9653 0.000000       0.000000 
1 1 1 5  0  31 o 75.356  1.7782 44.586   2.0980  44.586   2.0980  44.586   2.0980  75.356  1.7782 75.356  1.7782 0.000000       0.000000 
1 1 1 5  0  32 o 275.038 3.4577 593.330  14.903  593.330  14.903  593.330  14.903  275.038 3.4577 275.038 3.4577 0.000000       0.000000 
1 1 1 5  0  33 o 265.099 2.9166 551.138  12.118  551.138  12.118  551.138  12.118  265.099 2.9166 265.099 2.9166 0.000000       0.000000 
1 1 1 5  0  34 o 22.617  4.2542 4.4112   1.3524  4.4112   1.3524  4.4112   1.3524  22.617  4.2542 22.617  4.2542 0.000000       0.000000 
1 1 1 5  0  35 o 13.402  4.6665 1.8403   0.8861  1.8403   0.8861  1.8403   0.8861  13.402  4.6665 13.402  4.6665 0.000000       0.000000 
1 1 1 5  0  36 o 406.075 4.2781 1293.53  27.227  1293.53  27.227  1293.53  27.227  406.075 4.2781 406.075 4.2781 0.000000       0.000000 
1 1 1 5  0  37 o 60.321  1.5516 28.579   1.4651  28.579   1.4651  28.579   1.4651  60.321  1.5516 60.321  1.5516 0.000000       0.000000 
1 1 1 5  0  38 o 383.605 3.6416 1154.23  21.895  1154.23  21.895  1154.23  21.895  383.605 3.6416 383.605 3.6416 0.000000       0.000000 
1 1 1 5  0  39 o 176.400 1.7757 244.005  4.9092  244.005  4.9092  244.005  4.9092  176.400 1.7757 176.400 1.7757 0.000000       0.000000 
1 1 1 5  0  40 o 68.548  1.3321 36.875   1.4302  36.875   1.4302  36.875   1.4302  68.548  1.3321 68.548  1.3321 0.000000       0.000000 
1 1 1 5  0  41 o 397.150 3.7825 1237.40  23.545  1237.40  23.545  1237.40  23.545  397.150 3.7825 397.150 3.7825 0.000000       0.000000 
1 1 1 5  0  42 o 525.247 4.9115 2165.37  40.434  2165.37  40.434  2165.37  40.434  525.247 4.9115 525.247 4.9115 0.000000       0.000000 
1 1 1 5  0  43 f 302.631 3.3443 718.518  15.862  718.518  15.862  718.518  15.862  302.631 3.3443 302.631 3.3443 0.000000       0.000000 
1 1 1 5  0  44 o 203.164 2.4811 323.774  7.8993  323.774  7.8993  323.774  7.8993  203.164 2.4811 203.164 2.4811 -0.000000      0.000000 
1 1 1 5  0  45 o 68.653  1.6927 37.017   1.8192  37.017   1.8192  37.017   1.8192  68.653  1.6927 68.653  1.6927 -0.000000      0.000000 
1 1 1 5  0  46 o 10.507  5.6258 1.2363   1.2696  1.2363   1.2696  1.2363   1.2696  10.507  5.6258 10.507  5.6258 0.000000       0.000000 
1 1 1 5  0  47 o 122.102 1.8937 116.969  3.6228  116.969  3.6228  116.969  3.6228  122.102 1.8937 122.102 1.8937 0.000000       0.000000 
1 1 1 5  0  48 o 84.571  1.8262 56.151   2.4186  56.151   2.4186  56.151   2.4186  84.571  1.8262 84.571  1.8262 -0.000000      0.000000 
1 1 1 5  0  49 o 30.210  3.1547 7.3896   1.4568  7.3896   1.4568  7.3896   1.4568  30.210  3.1547 30.210  3.1547 -0.000000      0.000000 
1 1 1 5  0  50 o 132.775 1.9477 138.312  4.0521  138.312  4.0521  138.312  4.0521  132.775 1.9477 132.775 1.9477 0.000000       0.000000 
1 1 1 5  0  51 o 62.372  1.9854 30.596   1.9368  30.596   1.9368  30.596   1.9368  62.372  1.9854 62.372  1.9854 0.000000       0.000000 
1 1 1 5  0  52 o 129.115 1.9198 130.801  3.8840  130.801  3.8840  130.801  3.8840  129.115 1.9198 129.115 1.9198 -0.000000      0.000000 
1 1 1 5  0  53 o 108.523 1.5846 92.397   2.6946  92.397   2.6946  92.397   2.6946  108.523 1.5846 108.523 1.5846 -0.000000      0.000000 
1 1 1 5  0  54 o 104.485 1.5624 85.653   2.5578  85.653   2.5578  85.653   2.5578  104.485 1.5624 104.485 1.5624 -0.000000      0.000000 
1 1 1 5  0  55 o 84.578  1.5061 56.141   1.9955  56.141   1.9955  56.141   1.9955  84.578  1.5061 84.578  1.5061 -0.000000      0.000000 
1 1 1 5  0  56 o 73.804  1.4769 42.761   1.7072  42.761   1.7072  42.761   1.7072  73.804  1.4769 73.804  1.4769 -0.000000      0.000000 
1 1 1 5  0  57 o 135.202 1.6580 143.419  3.5130  143.419  3.5130  143.419  3.5130  135.202 1.6580 135.202 1.6580 -0.000000      0.000000 
1 1 1 5  0  58 o 143.527 1.6972 161.638  3.8176  161.638  3.8176  161.638  3.8176  143.527 1.6972 143.527 1.6972 -0.000000      0.000000 
1 1 1 5  0  59 o 104.865 1.5969 86.311   2.6238  86.311   2.6238  86.311   2.6238  104.865 1.5969 104.865 1.5969 -0.000000      0.000000 
1 1 1 5  0  60 o 194.163 3.3888 296.749  10.308  296.749  10.308  296.749  10.308  194.163 3.3888 194.163 3.3888 -0.000000      0.000000 
1 1 1 5  0  61 o 55.902  2.7642 24.735   2.4089  24.735   2.4089  24.735   2.4089  55.902  2.7642 55.902  2.7642 -0.000000      0.000000 
1 1 1 5  0  62 o 114.367 2.6197 102.943  4.6913  102.943  4.6913  102.943  4.6913  114.367 2.6197 114.367 2.6197 -0.000000      0.000000 
1 1 1 5  0  63 o 24.172  7.7615 5.8873   2.5950  5.8873   2.5950  5.8873   2.5950  24.172  7.7615 24.172  7.7615 -0.000000      0.000000 
1 1 1 5  0  64 o 50.327  2.8841 20.122   2.2584  20.122   2.2584  20.122   2.2584  50.327  2.8841 50.327  2.8841 -0.000000      0.000000 
1 1 1 5  0  65 o 141.982 2.8354 158.830  6.3054  158.830  6.3054  158.830  6.3054  141.982 2.8354 141.982 2.8354 -0.000000      0.000000 
1 1 1 5  0  66 o 95.272  2.5390 71.546   3.7860  71.546   3.7860  71.546   3.7860  95.272  2.5390 95.272  2.5390 -0.000000      0.000000 
1 1 1 5  0  67 o 39.911  4.6357 13.129   2.7983  13.129   2.7983  13.129   2.7983  39.911  4.6357 39.911  4.6357 -0.000000      0.000000 
1 1 1 5  0  68 o 91.997  3.5827 67.176   5.1491  67.176   5.1491  67.176   5.1491  91.997  3.5827 91.997  3.5827 -0.000000      0.000000 
1 1 1 5  0  69 o 48.967  3.9654 19.359   2.9980  19.359   2.9980  19.359   2.9980  48.967  3.9654 48.967  3.9654 0.000000       0.000000 
1 1 1 5  0  70 o 7.1999  5.0497 -2.2192  2.1643  -2.2192  2.1643  -2.2192  2.1643  7.1999  5.0497 7.1999  5.0497 0.000000       0.000000 
1 1 1 5  0  71 o 8.8327  5.4482 0.5066   1.4775  0.5066   1.4775  0.5066   1.4775  8.8327  5.4482 8.8327  5.4482 0.000000       0.000000 
1 1 1 5  0  72 o 70.344  2.4539 39.145   2.6986  39.145   2.6986  39.145   2.6986  70.344  2.4539 70.344  2.4539 -0.000000      0.000000 
1 1 1 5  0  73 o 8.9289  5.4871 0.5575   1.4862  0.5575   1.4862  0.5575   1.4862  8.9289  5.4871 8.9289  5.4871 0.000000       0.000000 
1 1 1 5  0  74 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  75 o 12.679  6.8952 1.9261   1.9351  1.9261   1.9351  1.9261   1.9351  12.679  6.8952 12.679  6.8952 0.000000       0.000000 
1 1 1 5  0  76 o 66.699  2.4247 35.314   2.5277  35.314   2.5277  35.314   2.5277  66.699  2.4247 66.699  2.4247 -0.000000      0.000000 
1 1 1 5  0  77 o 37.172  3.0649 11.216   1.7580  11.216   1.7580  11.216   1.7580  37.172  3.0649 37.172  3.0649 -0.000000      0.000000 
1 1 1 5  0  78 o 67.278  2.3032 35.962   2.4227  35.962   2.4227  35.962   2.4227  67.278  2.3032 67.278  2.3032 0.000000       0.000000 
1 1 1 5  0  79 o 9.6719  5.6413 1.0050   1.4185  1.0050   1.4185  1.0050   1.4185  9.6719  5.6413 9.6719  5.6413 0.000000       0.000000 
1 1 1 5  0  80 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  81 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  82 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  83 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  0  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  1  0  o 592.117 4.9917 2749.53  46.327  2749.53  46.327  2749.53  46.327  592.117 4.9917 592.117 4.9917 -0.000000      0.000000 
1 1 1 5  1  1  f 715.174 4.4356 4010.96  49.730  4049.35  67.978  3966.75  72.942  718.447 6.0356 711.028 6.5439 7.418823       8.902260 
1 1 1 5  1  2  o 229.135 1.5508 411.560  5.5706  408.086  7.4775  415.892  8.3505  228.161 2.0905 230.330 2.3126 -2.169174      3.117487 
1 1 1 5  1  3  o 672.148 4.1741 3542.67  43.982  3626.19  61.011  3452.30  63.463  679.903 5.7241 663.367 6.1025 16.53668       8.366960 
1 1 1 5  1  4  o 332.803 2.1421 868.252  11.176  867.282  15.117  869.422  16.596  332.603 2.8993 333.006 3.1791 -0.4034729     4.302624 
1 1 1 5  1  5  o 229.857 1.5549 414.157  5.6029  405.192  7.4309  425.969  8.5297  227.351 2.0849 233.104 2.3342 -5.753082      3.129720 
1 1 1 5  1  6  o 296.873 1.9328 690.881  8.9953  694.926  12.250  686.148  13.251  297.730 2.6246 295.840 2.8573 1.890717       3.879756 
1 1 1 5  1  7  o 641.742 3.9876 3229.25  40.117  3257.54  54.805  3196.59  58.883  644.447 5.4247 638.352 5.8840 6.094971       8.003088 
1 1 1 5  1  8  o 93.523  0.9161 68.560   1.3432  68.764   1.8227  68.318   1.9869  93.662  1.2414 93.357  1.3576 0.3044662      1.839609 
1 1 1 5  1  9  o 678.222 4.0323 3606.80  42.872  3679.32  57.264  3514.32  64.670  684.914 5.3332 669.310 6.1634 15.60376       8.150502 
1 1 1 5  1  10 o 158.760 1.1855 197.569  2.9504  194.240  3.9443  201.797  4.4456  157.415 1.5983 160.447 1.7675 -3.031799      2.382981 
1 1 1 5  1  11 o 273.697 1.8010 587.212  7.7274  589.603  10.506  584.394  11.406  274.246 2.4436 273.029 2.6649 1.217438       3.615639 
1 1 1 5  1  12 o 225.608 1.5321 398.983  5.4187  394.750  7.2647  404.292  8.1355  224.404 2.0651 227.097 2.2852 -2.693466      3.080021 
1 1 1 5  1  13 o 164.962 1.2160 213.308  3.1446  214.113  4.2710  212.355  4.6469  165.271 1.6485 164.590 1.8009 0.6806488      2.441494 
1 1 1 5  1  14 o 261.648 1.7330 536.642  7.1085  535.110  9.6006  538.502  10.576  261.268 2.3440 262.092 2.5740 -0.8239136     3.481374 
1 1 1 5  1  15 o 343.424 2.2052 924.543  11.872  947.303  16.462  899.874  17.139  347.611 3.0209 338.793 3.2269 8.818024       4.420235 
1 1 1 5  1  16 o 408.983 2.5924 1311.27  16.621  1327.99  22.818  1292.36  24.260  411.561 3.5366 405.994 3.8116 5.567322       5.199608 
1 1 1 5  1  17 o 59.361  0.9103 27.621   0.8471  27.825   1.1514  27.380   1.2508  59.580  1.2328 59.101  1.3500 0.4782753      1.828165 
1 1 1 5  1  18 o 603.409 4.1541 2854.89  39.295  2885.17  53.301  2818.83  58.161  606.520 5.6058 599.468 6.1889 7.052185       8.350266 
1 1 1 5  1  19 o 365.865 2.4495 1049.34  14.049  1014.77  19.165  1089.50  20.656  359.769 3.3980 372.778 3.5346 -13.00842      4.903019 
1 1 1 5  1  20 o 349.594 2.3490 958.071  12.874  941.455  17.857  976.056  18.578  346.532 3.2870 352.841 3.3586 -6.308990      4.699431 
1 1 1 5  1  21 o 124.955 1.5226 122.391  2.9826  122.340  3.9002  122.463  4.6290  124.927 1.9915 124.988 2.3625 -0.6114197E-01 3.089866 
1 1 1 5  1  22 o 397.242 2.9522 1237.11  18.385  1249.89  23.497  1216.93  29.522  399.268 3.7540 393.937 4.7804 5.331207       6.078207 
1 1 1 5  1  23 o 371.709 2.7734 1083.16  16.161  1075.36  20.328  1096.56  26.641  370.351 3.5013 373.953 4.5445 -3.601471      5.736825 
1 1 1 5  1  24 o 101.853 1.1640 81.318   1.8586  81.344   2.4774  81.285   2.8111  101.868 1.5513 101.831 1.7610 0.3759766E-01  2.346818 
1 1 1 5  1  25 o 317.034 2.5556 787.947  12.702  778.076  16.615  801.826  19.702  315.026 3.3644 319.783 3.9301 -4.757385      5.173510 
1 1 1 5  1  26 o 815.807 5.9140 5220.62  75.635  5238.42  96.038  5191.54  122.736 817.011 7.4983 813.032 9.6297 3.979004       12.20471 
1 1 1 5  1  27 o 386.308 3.3253 1170.03  20.138  1167.30  28.568  1172.73  28.392  385.808 4.7233 386.707 4.6834 -0.8987427     6.651626 
1 1 1 5  1  28 o 78.847  1.1759 48.731   1.4534  47.155   2.3487  49.708   1.8502  77.559  1.9317 79.633  1.4821 -2.073502      2.434790 
1 1 1 5  1  29 o 165.334 1.3710 214.273  3.5535  207.717  6.1310  217.589  4.3606  162.777 2.4026 166.607 1.6696 -3.829498      2.925732 
1 1 1 5  1  30 o 630.098 4.1164 3113.36  40.662  3110.98  74.209  3114.39  48.608  629.535 7.5194 630.142 4.9206 -0.6068726     8.986280 
1 1 1 5  1  31 o 405.177 2.8546 1287.10  18.132  1282.33  31.300  1289.50  22.244  404.335 4.9380 405.532 3.4990 -1.197662      6.052000 
1 1 1 5  1  32 o 344.406 2.3379 929.901  12.623  921.071  19.822  935.924  16.371  342.725 3.6893 345.501 3.0226 -2.775482      4.769404 
1 1 1 5  1  33 o 35.684  1.2712 9.9815   0.7111  11.014   1.0747  9.1773   0.9485  37.483  1.8289 34.169  1.7769 3.313725       2.549906 
1 1 1 5  1  34 o 183.653 1.3484 264.393  3.8822  264.475  5.7925  264.326  5.2308  183.674 2.0117 183.625 1.8171 0.4922485E-01  2.710891 
1 1 1 5  1  35 o 394.740 2.5242 1221.69  15.620  1230.00  23.349  1214.95  21.016  396.016 3.7610 393.607 3.4059 2.408844       5.073922 
1 1 1 5  1  36 o 247.895 1.6065 481.739  6.2430  475.890  8.7082  487.925  8.9548  246.371 2.2547 249.466 2.2898 -3.094955      3.213493 
1 1 1 5  1  37 o 234.000 1.6104 429.254  5.9077  426.897  7.8973  432.248  8.9019  233.344 2.1589 234.794 2.4185 -1.450439      3.241899 
1 1 1 5  1  38 o 233.083 1.6047 425.904  5.8635  422.430  7.8172  430.372  8.8658  232.117 2.1483 234.280 2.4139 -2.163361      3.231445 
1 1 1 5  1  39 o 325.360 2.3617 830.095  12.046  818.356  17.876  839.859  16.303  322.970 3.5307 327.214 3.1783 -4.243713      4.750484 
1 1 1 5  1  40 o 241.712 1.8537 458.060  7.0243  446.027  10.333  468.399  9.5778  238.482 2.7638 244.401 2.4998 -5.919510      3.726632 
1 1 1 5  1  41 o 110.140 1.1483 95.094   1.9826  99.043   2.8893  91.580   2.7256  112.398 1.6398 108.081 1.6086 4.316956       2.297080 
1 1 1 5  1  42 o 75.322  1.2954 44.476   1.5296  44.920   2.0925  43.967   2.2417  75.693  1.7634 74.884  1.9095 0.8082352      2.599195 
1 1 1 5  1  43 o 154.599 1.4555 187.374  3.5275  189.360  4.5423  184.357  5.5993  155.407 1.8644 153.328 2.3295 2.078934       2.983734 
1 1 1 5  1  44 o 159.430 1.4840 199.271  3.7089  196.864  4.7027  203.230  6.0327  158.455 1.8932 160.982 2.3904 -2.527145      3.049300 
1 1 1 5  1  45 o 218.103 1.8142 372.968  6.2028  371.727  7.8653  375.011  10.088  217.720 2.3044 218.648 2.9431 -0.9274902     3.737968 
1 1 1 5  1  46 o 77.069  1.2507 46.564   1.5111  47.814   2.0175  44.967   2.2808  78.093  1.6479 75.729  1.9212 2.363991       2.531176 
1 1 1 5  1  47 o 143.452 1.4406 161.333  3.2398  160.034  4.0514  163.638  5.3959  142.865 1.8089 144.448 2.3829 -1.583038      2.991698 
1 1 1 5  1  48 o 90.675  1.3131 64.457   1.8666  66.302   2.3579  61.362   3.0548  91.958  1.6356 88.456  2.2030 3.501801       2.743775 
1 1 1 5  1  49 o 210.629 1.6798 347.852  5.5466  347.592  6.7504  348.393  9.7316  210.534 2.0453 210.724 2.9459 -0.1899719     3.586278 
1 1 1 5  1  50 o 112.803 1.2478 99.757   2.2065  99.064   2.6528  101.313  3.9749  112.406 1.5054 113.656 2.2309 -1.250404      2.691359 
1 1 1 5  1  51 o 276.896 2.0628 601.309  8.9541  601.030  10.929  601.879  15.618  276.794 2.5186 276.870 3.5982 -0.7620239E-01 4.392092 
1 1 1 5  1  52 o 291.678 2.2769 667.351  10.411  670.091  13.158  662.761  17.026  292.212 2.8723 290.490 3.7388 1.722107       4.714754 
1 1 1 5  1  53 o 131.675 1.3487 135.944  2.7840  136.376  3.4424  135.126  4.7335  131.874 1.6651 131.242 2.3007 0.6321869      2.840030 
1 1 1 5  1  54 o 115.313 1.2798 104.258  2.3135  103.513  2.8332  105.748  4.0075  114.891 1.5730 116.100 2.2019 -1.208740      2.706040 
1 1 1 5  1  55 o 184.469 1.6027 266.872  4.6349  266.797  5.7808  267.007  7.7555  184.415 1.9996 184.426 2.6825 -0.1084900E-01 3.345726 
1 1 1 5  1  56 o 24.971  1.9161 4.9206   0.7443  4.7400   0.8780  5.3821   1.4034  24.466  2.3168 25.926  3.5460 -1.459635      4.235763 
1 1 1 5  1  57 o 147.596 1.3171 170.839  3.0475  171.816  3.9842  169.462  4.7310  147.992 1.7173 146.948 2.0537 1.044113       2.677091 
1 1 1 5  1  58 o 126.457 1.4574 125.433  2.8892  122.917  4.3775  127.376  3.8458  125.123 2.2317 127.399 1.9256 -2.275940      2.947635 
1 1 1 5  1  59 o 37.143  1.8148 10.827   1.0567  9.1345   1.5750  12.213   1.4251  33.950  2.9898 39.364  2.3196 -5.414600      3.784096 
1 1 1 5  1  60 o 42.467  1.4875 14.150   0.9903  11.514   1.6313  15.688   1.2462  38.168  2.7447 44.707  1.7781 -6.538677      3.270375 
1 1 1 5  1  61 o 75.912  1.2134 45.202   1.4440  45.754   2.4527  44.909   1.7864  76.325  2.0499 75.652  1.5063 0.6727295      2.543789 
1 1 1 5  1  62 o 39.423  1.7094 12.201   1.0565  16.093   2.1590  10.976   1.2114  45.095  3.0723 37.320  2.0788 7.775597       3.709538 
1 1 1 5  1  63 o 19.001  3.5937 2.9436   1.0312  4.0959   2.4663  2.6994   1.1352  22.378  6.5877 18.116  4.0937 4.261595       7.756013 
1 1 1 5  1  64 o 79.858  1.3332 50.044   1.6691  50.364   3.2430  49.928   1.9467  79.990  2.5862 79.750  1.5571 0.2401123      3.018776 
1 1 1 5  1  65 o 16.044  2.9696 2.0937   0.7194  -1.3596  1.6585  2.8939   0.7984  9.8362  4.5518 18.969  2.7662 -9.133119      5.326437 
1 1 1 5  1  66 o 57.629  1.9249 26.102   1.7391  23.634   2.4095  28.787   2.5125  54.680  2.8206 60.446  2.6514 -5.766369      3.871133 
1 1 1 5  1  67 o 61.462  1.8670 29.691   1.7989  29.644   2.5229  29.739   2.5657  61.333  2.6239 61.426  2.6644 -0.9242630E-01 3.739514 
1 1 1 5  1  68 o 44.602  2.1089 15.651   1.4745  13.833   2.0175  17.736   2.1604  41.729  3.1063 47.310  2.9273 -5.581276      4.268318 
1 1 1 5  1  69 o 126.953 2.2225 126.893  4.4233  127.936  7.6643  126.372  5.4164  126.912 3.8523 126.550 2.7302 0.3622513      4.721647 
1 1 1 5  1  70 o 55.631  2.2370 24.376   1.9509  25.507   3.4455  23.843   2.3669  56.495  3.9145 54.882  2.7598 1.613037       4.789587 
1 1 1 5  1  71 o 91.909  2.0733 66.516   2.9873  70.853   5.3705  64.573   3.5947  94.415  3.6285 90.455  2.5350 3.960510       4.426281 
1 1 1 5  1  72 o 46.126  1.9947 16.755   1.4424  16.505   1.9831  17.035   2.1018  45.597  2.7877 46.301  2.9104 -0.7036896     4.030115 
1 1 1 5  1  73 o 77.097  1.7829 46.782   2.1549  43.824   2.9362  50.236   3.1724  74.468  2.5151 79.724  2.5383 -5.255623      3.573353 
1 1 1 5  1  74 o 75.107  1.7799 44.418   2.0957  42.917   2.8765  46.117   3.0596  73.667  2.4907 76.346  2.5564 -2.678703      3.569167 
1 1 1 5  1  75 o 44.175  2.4549 15.489   1.6934  15.470   1.9860  15.541   3.2410  44.042  2.8926 43.486  4.8361 0.5555534      5.635177 
1 1 1 5  1  76 o 23.561  3.8609 4.5729   1.3767  4.2544   1.6091  5.4428   2.6591  22.471  4.7180 24.937  6.6714 -2.466650      8.171113 
1 1 1 5  1  77 o 29.787  3.6453 7.2345   1.6667  7.2345   1.6667  0.0000   0.0000  29.787  3.6453 ?       ?      0.000000       3.645308 
1 1 1 5  1  78 o 71.338  1.8993 40.207   2.1241  40.343   2.5760  39.918   3.7542  71.325  2.3039 70.472  3.3982 0.8532715      4.105554 
1 1 1 5  1  79 o 15.116  4.8107 1.8784   1.2832  2.1946   1.6013  1.3110   2.1454  16.360  5.3874 15.253  6.0405 1.107291       8.093941 
1 1 1 5  1  80 o 63.644  3.2622 32.707   3.2438  0.0000   0.0000  32.707   3.2438  ?       ?      63.644  3.2622 0.000000       3.262214 
1 1 1 5  1  81 o 27.397  3.9334 6.2422   1.6409  11.127   2.7731  3.6106   2.0355  36.159  5.0282 20.218  5.9935 15.94187       7.823299 
1 1 1 5  1  82 o 38.833  2.9091 12.174   1.7581  14.434   2.8430  10.774   2.2372  41.547  4.4335 36.042  4.0285 5.505146       5.990351 
1 1 1 5  1  83 o 24.722  4.7797 5.2644   1.7854  0.0000   0.0000  5.2644   1.7854  ?       ?      24.722  4.7797 0.000000       4.779719 
1 1 1 5  1  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  1  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  1  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  1  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  2  0  o 486.992 4.1435 1859.72  31.628  1859.72  31.628  1859.72  31.628  486.992 4.1435 486.992 4.1435 -0.000000      0.000000 
1 1 1 5  2  1  o 157.077 1.1386 193.402  2.8039  186.402  3.8447  201.355  4.0978  154.206 1.5904 160.271 1.6310 -6.065430      2.278050 
1 1 1 5  2  2  o 293.650 1.8400 675.956  8.4705  668.614  11.853  683.619  12.110  292.040 2.5890 295.299 2.6158 -3.258484      3.680406 
1 1 1 5  2  3  o 457.920 2.7632 1643.91  19.836  1657.30  28.274  1630.93  27.836  459.741 3.9231 456.069 3.8934 3.671570       5.527095 
1 1 1 5  2  4  o 190.853 1.2977 285.522  3.8826  285.548  5.4877  285.495  5.4938  190.858 1.8341 190.841 1.8363 0.1759338E-01  2.595395 
1 1 1 5  2  5  o 166.049 1.1772 216.127  3.0643  215.392  4.3170  216.874  4.3504  165.764 1.6613 166.333 1.6684 -0.5690155     2.354428 
1 1 1 5  2  6  o 553.132 3.3074 2398.75  28.679  2386.89  40.358  2410.86  40.763  551.697 4.6663 554.458 4.6897 -2.761414      6.615685 
1 1 1 5  2  7  o 235.777 1.5289 435.763  5.6510  434.210  7.9597  437.342  8.0241  235.351 2.1574 236.198 2.1670 -0.8471222     3.057825 
1 1 1 5  2  8  o 339.078 2.2938 901.305  12.193  905.084  15.794  895.731  19.183  339.775 2.9651 337.999 3.6204 1.775970       4.679666 
1 1 1 5  2  9  o 127.829 1.0622 128.083  2.1285  126.034  2.8468  130.682  3.2053  126.801 1.4321 129.117 1.5836 -2.316574      2.135099 
1 1 1 5  2  10 o 118.786 1.0288 110.603  1.9159  107.812  2.5470  114.240  2.9076  117.277 1.3854 120.722 1.5364 -3.445145      2.068735 
1 1 1 5  2  11 o 177.012 1.2901 245.609  3.5801  244.066  4.8174  247.513  5.3504  176.452 1.7415 177.693 1.9207 -1.240723      2.592697 
1 1 1 5  2  12 o 203.898 1.4940 325.888  4.7754  329.858  6.8108  322.049  6.6975  205.131 2.1179 202.689 2.1078 2.442383       2.988054 
1 1 1 5  2  13 o 392.393 2.6197 1207.05  16.115  1212.38  22.874  1201.80  22.707  393.231 3.7105 391.513 3.6997 1.718292       5.239830 
1 1 1 5  2  14 o 252.828 1.8673 501.075  7.4009  494.389  9.7789  510.040  11.323  251.129 2.4839 255.068 2.8317 -3.939438      3.766740 
1 1 1 5  2  15 o 832.616 5.3997 5436.96  70.480  5449.27  91.183  5418.70  111.085 833.401 6.9792 830.869 8.5284 2.531982       11.02011 
1 1 1 5  2  16 o 205.034 1.5753 329.531  5.0635  326.621  6.1645  335.566  8.8776  204.124 1.9264 206.893 2.7371 -2.769028      3.347083 
1 1 1 5  2  17 o 375.483 2.8067 1105.27  16.521  1125.95  19.439  1051.48  31.356  378.968 3.2720 366.155 5.4626 12.81317       6.367537 
1 1 1 5  2  18 o 165.391 1.6555 214.423  4.2922  203.639  5.8562  226.940  6.3094  161.175 2.3177 170.145 2.3654 -8.970886      3.311680 
1 1 1 5  2  19 o 236.184 1.8686 437.275  6.9188  434.840  8.7291  441.388  11.347  235.521 2.3642 237.279 3.0506 -1.758301      3.859487 
1 1 1 5  2  20 o 674.062 4.6277 3562.88  48.901  3595.11  66.241  3524.27  72.494  676.990 6.2415 670.232 6.8996 6.757996       9.303795 
1 1 1 5  2  21 o 743.697 5.4080 4337.72  63.050  4444.33  91.411  4240.98  87.078  752.557 7.7483 735.159 7.5557 17.39752       10.82240 
1 1 1 5  2  22 o 263.866 1.8426 545.783  7.6222  544.670  10.731  546.916  10.828  263.588 2.5970 264.131 2.6150 -0.5427551     3.685505 
1 1 1 5  2  23 o 662.893 4.5572 3445.88  47.358  3516.43  72.501  3393.37  62.546  669.456 6.9083 657.713 6.0661 11.74243       9.193576 
1 1 1 5  2  24 o 195.510 1.4685 299.629  4.5008  309.521  7.2605  293.456  5.7359  198.704 2.3308 193.483 1.8911 5.221542       3.001465 
1 1 1 5  2  25 o 316.868 2.2842 787.101  11.347  793.072  17.075  782.378  15.184  318.046 3.4246 315.902 3.0661 2.143585       4.596604 
1 1 1 5  2  26 o 176.878 1.4565 245.239  4.0388  245.632  6.0972  244.932  5.3911  177.014 2.1972 176.764 1.9455 0.2501984      2.934732 
1 1 1 5  2  27 o 586.825 4.2991 2700.39  39.550  2714.29  56.256  2686.81  55.613  588.206 6.1008 585.224 6.0618 2.982239       8.600310 
1 1 1 5  2  28 o 340.661 2.4358 909.771  13.008  899.773  19.249  918.174  17.648  338.755 3.6247 342.211 3.2896 -3.455933      4.894901 
1 1 1 5  2  29 o 366.358 2.2538 1052.18  12.944  1047.49  18.221  1056.96  18.392  365.516 3.1799 367.165 3.1954 -1.649597      4.508029 
1 1 1 5  2  30 o 406.410 2.4773 1294.87  15.783  1296.52  22.349  1293.23  22.293  406.634 3.5059 406.118 3.5015 0.5161438      4.954977 
1 1 1 5  2  31 o 197.976 1.3527 307.236  4.1984  302.881  5.8797  311.765  5.9968  196.563 1.9081 199.424 1.9182 -2.861832      2.705608 
1 1 1 5  2  32 o 405.216 2.4705 1287.31  15.693  1294.90  22.330  1279.89  22.060  406.369 3.5053 404.008 3.4830 2.361084       4.941505 
1 1 1 5  2  33 o 337.089 2.0900 890.802  11.045  908.994  15.940  874.002  15.318  340.486 2.9863 333.870 2.9266 6.615662       4.181271 
1 1 1 5  2  34 o 431.751 2.6219 1461.54  17.746  1471.29  25.273  1452.06  24.924  433.128 3.7222 430.289 3.6949 2.838715       5.244693 
1 1 1 5  2  35 o 438.554 2.6655 1508.04  18.325  1506.34  25.841  1509.75  25.991  438.237 3.7614 438.731 3.7790 -0.4935608     5.331860 
1 1 1 5  2  36 o 256.511 1.5902 515.815  6.3947  510.099  8.5687  522.999  9.6069  255.073 2.1429 258.271 2.3728 -3.198120      3.197174 
1 1 1 5  2  37 o 113.377 0.9809 100.763  1.7435  102.752  2.2809  97.967   2.7043  114.489 1.2708 111.789 1.5431 2.699631       1.999033 
1 1 1 5  2  38 f 132.600 1.0467 137.829  2.1757  138.153  2.8223  137.355  3.4158  132.751 1.3562 132.364 1.6461 0.3876801      2.132831 
1 1 1 5  2  39 o 203.170 1.5269 323.600  4.8633  321.458  6.8813  325.739  6.8743  202.480 2.1679 203.824 2.1514 -1.344284      3.054206 
1 1 1 5  2  40 o 212.959 1.5126 355.539  5.0497  354.272  6.8686  357.028  7.4493  212.564 2.0612 213.384 2.2269 -0.8195190     3.034427 
1 1 1 5  2  41 o 218.193 1.5396 373.238  5.2662  382.069  7.3342  363.839  7.5662  220.741 2.1194 215.406 2.2406 5.334839       3.084185 
1 1 1 5  2  42 o 205.304 1.5607 330.448  5.0231  328.842  6.4613  332.900  7.9858  204.791 2.0126 206.034 2.4725 -1.242523      3.188032 
1 1 1 5  2  43 o 348.001 2.3813 949.709  12.991  940.578  16.621  964.048  20.828  346.271 3.0618 350.492 3.7906 -4.220825      4.872759 
1 1 1 5  2  44 f 88.084  1.1487 60.823   1.5863  60.180   2.0485  61.785   2.5069  87.614  1.4915 88.770  1.8014 -1.156754      2.338698 
1 1 1 5  2  45 o 205.860 1.5724 332.251  5.0744  332.504  6.5543  331.871  8.0175  205.923 2.0303 205.708 2.4862 0.2152100      3.209872 
1 1 1 5  2  46 o 249.932 1.8126 489.781  7.1020  489.009  9.1599  490.946  11.245  249.708 2.3399 250.170 2.8673 -0.4611816     3.700941 
1 1 1 5  2  47 o 129.675 1.2412 131.828  2.5232  135.015  3.3140  127.432  3.8919  131.227 1.6110 127.481 1.9474 3.746048       2.527373 
1 1 1 5  2  48 o 137.777 1.2685 148.817  2.7399  147.794  3.5440  150.337  4.3197  137.294 1.6466 138.461 1.9901 -1.166870      2.582973 
1 1 1 5  2  49 o 110.569 1.1875 95.843   2.0584  96.143   2.6715  95.404   3.2293  110.735 1.5389 110.302 1.8675 0.4331436      2.419916 
1 1 1 5  2  50 o 257.667 1.6910 520.593  6.8304  519.327  8.8968  522.410  10.660  257.321 2.2055 258.050 2.6351 -0.7291260     3.436247 
1 1 1 5  2  51 o 211.859 1.4587 351.922  4.8447  355.626  6.3820  346.885  7.4425  212.949 1.9117 210.295 2.2575 2.654160       2.958248 
1 1 1 5  2  52 o 176.167 1.2922 243.323  3.5688  245.681  4.6956  240.098  5.4913  177.003 1.6922 174.964 2.0020 2.037949       2.621400 
1 1 1 5  2  53 o 58.097  1.0648 26.462   0.9698  25.270   1.2512  28.256   1.5349  56.769  1.4060 60.027  1.6311 -3.257954      2.153429 
1 1 1 5  2  54 o 87.348  1.0781 59.818   1.4763  60.255   1.7735  58.831   2.6639  87.662  1.2905 86.602  1.9621 1.059883       2.348504 
1 1 1 5  2  55 o 215.955 1.5466 365.750  5.2361  363.239  6.4625  370.548  8.9334  215.181 1.9158 217.257 2.6230 -2.075317      3.248087 
1 1 1 5  2  56 o 48.914  1.5346 18.765   1.1767  18.469   1.5801  19.133   1.7633  48.514  2.0776 49.373  2.2782 -0.8587379     3.083242 
1 1 1 5  2  57 o 58.799  1.4595 27.117   1.3453  26.964   1.8468  27.291   1.9637  58.615  2.0099 58.965  2.1243 -0.3501434     2.924434 
1 1 1 5  2  58 o 83.909  1.4537 55.229   1.9122  57.873   2.9959  53.411   2.4839  85.851  2.2260 82.494  1.9207 3.357468       2.940091 
1 1 1 5  2  59 o 76.229  1.4302 45.585   1.7091  45.860   2.5573  45.364   2.2977  76.420  2.1346 76.018  1.9281 0.4013748      2.876453 
1 1 1 5  2  60 o 80.173  1.4109 50.428   1.7733  51.835   2.6958  49.356   2.3545  81.238  2.1168 79.287  1.8943 1.950333       2.840573 
1 1 1 5  2  61 o 59.880  1.6256 28.143   1.5260  28.092   2.0610  28.205   2.2703  59.793  2.1988 59.898  2.4178 -0.1044998     3.268085 
1 1 1 5  2  62 o 82.733  1.4772 53.717   1.9159  49.366   3.0525  56.545   2.4611  79.228  2.4577 84.854  1.8501 -5.626205      3.076226 
1 1 1 5  2  63 o 61.242  1.9558 29.467   1.8777  32.568   2.8058  26.951   2.5271  64.308  2.7832 58.503  2.7554 5.805252       3.916398 
1 1 1 5  2  64 o 48.301  1.9006 18.330   1.4391  16.760   2.3250  19.306   1.8324  45.970  3.2471 49.538  2.3595 -3.568069      4.013811 
1 1 1 5  2  65 o 69.710  1.6650 38.164   1.8196  37.520   2.9627  38.555   2.3057  69.003  2.7388 70.025  2.1004 -1.021606      3.451459 
1 1 1 5  2  66 o 55.445  1.5361 24.139   1.3351  23.380   2.4556  24.458   1.5908  54.367  2.8915 55.790  1.8189 -1.422752      3.416042 
1 1 1 5  2  67 o 120.067 1.4962 113.202  2.8162  113.285  5.0896  113.166  3.3810  119.866 2.7085 120.000 1.7973 -0.1343765     3.250575 
1 1 1 5  2  68 o 43.924  1.6026 15.156   1.1035  13.812   2.1410  15.642   1.2878  41.655  3.3058 44.607  1.8415 -2.952213      3.784106 
1 1 1 5  2  69 o 71.824  1.3619 40.505   1.5334  40.228   2.9116  40.611   1.8038  71.415  2.6007 71.894  1.6005 -0.4792633     3.053739 
1 1 1 5  2  70 f 54.614  1.3715 23.424   1.1742  28.836   2.4672  21.840   1.3351  60.446  2.6037 52.715  1.6156 7.730602       3.064196 
1 1 1 5  2  71 o 65.886  2.2403 34.215   2.3139  32.825   3.8877  34.977   2.8795  64.065  3.8894 66.520  2.7613 -2.454781      4.769866 
1 1 1 5  2  72 o 47.195  2.5992 17.655   1.9156  18.021   3.3875  17.483   2.3227  47.121  4.6462 46.834  3.1824 0.2870445      5.631591 
1 1 1 5  2  73 o 37.819  2.9831 11.414   1.7543  14.115   3.0656  10.099   2.1391  41.545  4.7951 35.323  3.9295 6.221767       6.199550 
1 1 1 5  2  74 o 41.878  2.2708 13.893   1.4852  17.075   2.0680  10.502   2.1345  46.304  2.8629 36.018  3.8394 10.28620       4.789306 
1 1 1 5  2  75 o 36.019  2.4910 10.322   1.3979  11.133   1.8929  9.3475   2.0734  37.220  3.2775 33.876  3.9801 3.344036       5.155876 
1 1 1 5  2  76 o 71.206  1.8559 39.996   2.0717  38.985   2.7540  41.315   3.1444  70.117  2.5054 72.086  2.7825 -1.968315      3.744277 
1 1 1 5  2  77 f 30.588  3.1538 7.5582   1.4906  6.1987   1.7349  11.391   2.9130  27.354  4.1784 36.810  5.1922 -9.456228      6.664711 
1 1 1 5  2  78 o 11.691  4.6630 0.6438   1.2870  0.4440   1.4906  1.2290   2.5507  11.892  4.9151 15.988  6.4983 -4.096568      8.147711 
1 1 1 5  2  79 o 27.473  3.1466 6.1344   1.3307  6.1086   1.5265  6.2164   2.7159  27.244  3.6673 26.288  6.6000 0.9559975      7.550424 
1 1 1 5  2  80 o 85.584  1.9331 57.987   2.5935  59.341   3.0920  54.775   4.7633  86.409  2.2826 82.102  3.7008 4.306358       4.348145 
1 1 1 5  2  81 o 37.449  5.6575 12.178   3.2178  12.178   3.2178  0.0000   0.0000  37.449  5.6575 ?       ?      0.000000       5.657487 
1 1 1 5  2  82 o 14.753  6.3350 0.4299   2.6328  0.4299   2.6328  0.0000   0.0000  14.753  6.3350 ?       ?      0.000000       6.335021 
1 1 1 5  2  83 o 43.281  4.5810 15.780   3.0610  0.0000   0.0000  15.780   3.0610  ?       ?      43.281  4.5810 0.000000       4.581017 
1 1 1 5  2  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  2  85 o 20.953  5.1770 3.9096   1.6906  1.1882   2.4657  6.3241   2.3225  15.322  6.3262 26.451  5.7639 -11.12918      8.558235 
1 1 1 5  2  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  3  0  o 157.316 1.7821 194.068  4.3937  194.068  4.3937  194.068  4.3937  157.316 1.7821 157.316 1.7821 -0.000000      0.000000 
1 1 1 5  3  1  o 46.423  0.9343 16.893   0.6799  18.848   1.0210  15.335   0.9114  49.036  1.3282 44.230  1.3144 4.805649       1.868643 
1 1 1 5  3  2  f 488.964 2.8320 1874.36  21.708  1874.60  31.932  1874.16  29.600  488.945 4.1660 488.901 3.8621 0.4367065E-01  5.680745 
1 1 1 5  3  3  o 262.287 1.6814 539.267  6.9136  532.500  10.566  544.334  9.1427  260.625 2.5860 263.510 2.2132 -2.885162      3.403766 
1 1 1 5  3  4  o 142.768 1.0983 159.770  2.4581  159.784  3.4564  159.755  3.4964  142.772 1.5443 142.759 1.5623 0.1315308E-01  2.196734 
1 1 1 5  3  5  o 161.138 1.3518 203.533  3.4148  202.913  5.0807  204.044  4.6118  160.888 2.0144 161.337 1.8234 -0.4489288     2.717105 
1 1 1 5  3  6  o 439.023 3.0756 1511.07  21.167  1523.38  32.007  1501.51  28.220  440.751 4.6323 437.597 4.1137 3.154144       6.195192 
1 1 1 5  3  7  o 144.169 1.2659 162.923  2.8611  167.620  4.3595  159.370  3.7919  146.229 1.9017 142.586 1.6964 3.642868       2.548388 
1 1 1 5  3  8  o 164.235 1.3687 211.433  3.5238  215.140  5.3318  208.558  4.6955  165.665 2.0530 163.112 1.8363 2.552444       2.754409 
1 1 1 5  3  9  o 160.549 1.4245 202.050  3.5854  203.314  5.1012  200.816  5.0404  161.047 2.0205 160.055 2.0088 0.9921417      2.849193 
1 1 1 5  3  10 o 220.250 1.9012 380.267  6.5643  368.187  9.7056  390.451  8.9117  216.714 2.8568 223.174 2.5472 -6.459930      3.827495 
1 1 1 5  3  11 o 381.567 2.8596 1141.39  17.105  1133.35  24.033  1149.65  24.351  380.190 4.0323 382.913 4.0565 -2.722412      5.719676 
1 1 1 5  3  12 o 371.313 2.7919 1080.86  16.252  1085.16  23.055  1076.61  22.912  372.022 3.9531 370.554 3.9442 1.467682       5.584260 
1 1 1 5  3  13 o 542.188 3.9847 2304.93  33.869  2298.36  47.741  2311.59  48.056  541.332 5.6256 542.886 5.6466 -1.554260      7.970705 
1 1 1 5  3  14 o 569.145 4.1748 2539.89  37.249  2570.41  53.346  2510.85  52.034  572.456 5.9443 565.791 5.8665 6.665466       8.351692 
1 1 1 5  3  15 o 649.138 4.2419 3304.05  43.167  3345.34  61.763  3264.62  60.357  653.067 6.0327 645.145 5.9679 7.921936       8.485826 
1 1 1 5  3  16 o 196.961 1.4132 304.089  4.3636  297.278  5.7668  313.213  6.6742  194.740 1.8890 199.889 2.1299 -5.149200      2.846873 
1 1 1 5  3  17 o 611.069 4.4764 2928.00  42.882  2851.36  58.960  3014.05  62.481  602.911 6.2381 619.858 6.4298 -16.94678      8.958573 
1 1 1 5  3  18 o 177.005 1.4710 245.592  4.0818  253.749  6.2962  239.680  5.3609  179.916 2.2323 174.859 1.9557 5.056946       2.967811 
1 1 1 5  3  19 o 249.206 1.6944 486.818  6.6195  495.707  9.0926  476.794  9.6556  251.465 2.3065 246.619 2.4975 4.846069       3.399606 
1 1 1 5  3  20 o 731.524 4.5435 4196.21  52.104  4157.34  69.792  4245.15  78.315  728.008 6.1153 735.593 6.7913 -7.585266      9.138815 
1 1 1 5  3  21 o 663.008 3.9533 3446.65  41.089  3427.78  53.450  3473.92  64.246  661.118 5.1572 665.477 6.1583 -4.358887      8.032521 
1 1 1 5  3  22 o 247.492 1.6168 480.141  6.2730  475.741  8.7824  484.725  8.9633  246.348 2.2741 248.663 2.2993 -2.315002      3.233947 
1 1 1 5  3  23 o 447.647 2.7144 1570.95  19.049  1577.54  25.027  1561.88  29.369  448.560 3.5590 446.304 4.1976 2.255615       5.503307 
1 1 1 5  3  24 o 66.372  0.9883 34.531   1.0283  33.452   1.4122  35.748   1.5004  65.327  1.3789 67.531  1.4172 -2.204285      1.977350 
1 1 1 5  3  25 o 312.672 2.0493 766.377  10.045  768.618  13.647  763.728  14.839  313.116 2.7803 312.113 3.0329 1.002960       4.114372 
1 1 1 5  3  26 o 427.587 2.6066 1433.32  17.473  1433.36  24.681  1433.28  24.739  427.560 3.6822 427.547 3.6911 0.1269531E-01  5.213677 
1 1 1 5  3  27 o 255.465 1.7354 511.588  6.9500  506.017  9.3068  518.612  10.450  254.063 2.3367 257.201 2.5917 -3.138443      3.489556 
1 1 1 5  3  28 o 444.906 2.9578 1551.89  20.630  1539.20  28.897  1565.07  29.461  443.035 4.1607 446.740 4.2066 -3.704956      5.916667 
1 1 1 5  3  29 o 339.757 2.0312 904.918  10.819  893.510  15.715  915.197  14.917  337.586 2.9694 341.663 2.7849 -4.077454      4.071026 
1 1 1 5  3  30 o 144.093 1.0874 162.751  2.4564  169.307  3.7133  157.650  3.2754  146.963 1.6118 141.815 1.4733 5.148727       2.183660 
1 1 1 5  3  31 o 542.017 3.2533 2303.56  27.644  2295.59  38.962  2311.64  39.227  540.985 4.5941 542.872 4.6093 -1.886414      6.507840 
1 1 1 5  3  32 o 146.012 1.1894 167.118  2.7225  168.587  3.7023  165.389  4.0175  146.649 1.6104 145.250 1.7643 1.399063       2.388799 
1 1 1 5  3  33 o 431.015 2.6198 1456.56  17.701  1437.67  24.718  1476.46  25.362  428.153 3.6827 433.887 3.7286 -5.733826      5.240668 
1 1 1 5  3  34 o 86.821  0.9502 59.086   1.2933  61.784   1.8988  56.751   1.7664  88.779  1.3643 85.086  1.3243 3.692680       1.901344 
1 1 1 5  3  35 o 60.666  0.9676 28.850   0.9202  27.660   1.3210  29.971   1.2826  59.401  1.4186 61.833  1.3232 -2.432442      1.939912 
1 1 1 5  3  36 o 383.264 2.3520 1151.74  14.131  1149.20  19.954  1154.31  20.015  382.780 3.3253 383.630 3.3281 -0.8497620     4.704682 
1 1 1 5  3  37 o 129.554 1.0545 131.570  2.1417  127.705  2.9963  135.607  3.0625  127.633 1.4975 131.522 1.4853 -3.889709      2.109194 
1 1 1 5  3  38 o 359.151 2.3196 1011.42  13.060  1008.84  17.621  1014.57  19.454  358.640 3.1341 359.632 3.4507 -0.9919128     4.661528 
1 1 1 5  3  39 o 86.786  0.9350 59.041   1.2721  59.388   1.6080  58.460   2.0794  87.039  1.1785 86.353  1.5360 0.6858521      1.936045 
1 1 1 5  3  40 o 406.919 2.7333 1298.64  17.436  1289.86  24.520  1307.62  24.799  405.426 3.8579 408.206 3.8752 -2.779816      5.468165 
1 1 1 5  3  41 o 227.081 1.6706 404.281  5.9473  403.160  8.4139  405.401  8.4076  226.740 2.3671 227.370 2.3588 -0.6297150     3.341687 
1 1 1 5  3  42 o 26.867  1.8683 5.6872   0.7820  5.8518   1.1511  5.5461   1.0657  27.177  2.7392 26.465  2.6023 0.7120934      3.778201 
1 1 1 5  3  43 o 194.459 1.5025 296.459  4.5802  289.560  6.3713  303.838  6.5891  192.165 2.1149 196.845 2.1352 -4.679779      3.005376 
1 1 1 5  3  44 o 271.923 1.9286 579.779  8.2215  575.000  11.570  584.653  11.685  270.755 2.7259 273.018 2.7301 -2.263031      3.857916 
1 1 1 5  3  45 f 308.846 2.0491 747.964  9.9212  756.341  13.619  738.491  14.482  310.517 2.7977 306.814 3.0110 3.704010       4.110126 
1 1 1 5  3  46 o 82.111  1.0973 52.854   1.4124  52.077   1.9843  53.652   2.0109  81.500  1.5531 82.724  1.5506 -1.223236      2.194656 
1 1 1 5  3  47 o 138.507 1.2923 150.398  2.8060  152.048  3.6360  147.968  4.4121  139.256 1.6656 137.365 2.0489 1.891602       2.640439 
1 1 1 5  3  48 o 122.735 1.2452 118.096  2.3958  117.757  3.0730  118.621  3.8258  122.552 1.5995 122.991 1.9843 -0.4391022     2.548671 
1 1 1 5  3  49 o 184.379 1.4854 266.542  4.2936  264.880  5.5070  269.118  6.8564  183.787 1.9114 185.230 2.3612 -1.442642      3.037855 
1 1 1 5  3  50 f 166.864 1.4060 218.304  3.6779  218.340  4.7348  218.249  5.8401  166.863 1.8101 166.809 2.2333 0.5418396E-01  2.874696 
1 1 1 5  3  51 o 191.508 1.4492 287.562  4.3508  290.688  5.9196  283.889  6.4162  192.521 1.9614 190.245 2.1513 2.275757       2.911221 
1 1 1 5  3  52 o 103.750 1.0689 84.388   1.7385  84.387   2.2307  84.391   2.7743  103.743 1.3716 103.736 1.7060 0.6622314E-02  2.189002 
1 1 1 5  3  53 o 105.340 1.0632 86.997   1.7558  88.304   2.2585  85.000   2.7917  106.121 1.3576 104.107 1.7105 2.014458       2.183766 
1 1 1 5  3  54 o 35.359  1.3779 9.8040   0.7638  9.8025   0.9291  9.8073   1.3417  35.353  1.6763 35.266  2.4419 0.8710861E-01  2.961960 
1 1 1 5  3  55 o 101.146 1.2111 80.219   1.9203  80.170   2.7850  80.263   2.6514  101.094 1.7573 101.157 1.6720 -0.6240845E-01 2.425623 
1 1 1 5  3  56 o 103.591 1.2039 84.150   1.9551  84.366   2.8529  83.958   2.6845  103.700 1.7549 103.454 1.6553 0.2460556      2.412387 
1 1 1 5  3  57 o 164.390 1.5004 211.982  3.8667  214.788  5.2102  208.542  5.7691  165.424 2.0091 162.973 2.2581 2.451508       3.022457 
1 1 1 5  3  58 o 119.153 1.2286 111.348  2.2950  112.261  3.3490  110.540  3.1512  119.602 1.7862 118.689 1.6936 0.9128342      2.461432 
1 1 1 5  3  59 o 124.530 1.3477 121.651  2.6310  122.990  3.5207  119.957  3.9593  125.176 1.7942 123.597 2.0434 1.578613       2.719305 
1 1 1 5  3  60 o 161.891 1.5675 205.677  3.9782  205.416  5.0231  206.117  6.5158  161.731 1.9812 161.902 2.5672 -0.1715240     3.242783 
1 1 1 5  3  61 o 105.276 1.3858 86.962   2.2872  86.706   2.8363  87.437   3.8676  105.092 1.7216 105.464 2.3393 -0.3717957     2.904511 
1 1 1 5  3  62 o 69.892  1.7351 38.357   1.9011  36.797   2.6902  39.913   2.6871  68.391  2.5092 71.238  2.4061 -2.847450      3.476401 
1 1 1 5  3  63 o 21.357  3.3341 3.6848   1.0798  3.8656   1.2444  3.1337   2.1725  21.804  3.7774 19.843  6.2536 1.961599       7.305860 
1 1 1 5  3  64 o 119.877 1.4994 112.815  2.8178  112.734  3.6120  112.941  4.5039  119.774 1.9237 119.800 2.3981 -0.2562714E-01 3.074335 
1 1 1 5  3  65 o 45.363  2.2239 16.189   1.5815  15.506   2.4811  16.656   2.0526  44.120  3.6190 45.870  2.8689 -1.750320      4.618211 
1 1 1 5  3  66 o 40.367  2.0162 12.813   1.2759  11.545   2.2291  13.431   1.5560  37.980  3.7946 41.231  2.4179 -3.250198      4.499506 
1 1 1 5  3  67 o 79.815  1.6623 50.050   2.0800  47.813   3.2978  51.527   2.6803  77.864  2.7017 80.927  2.1127 -3.063011      3.429681 
1 1 1 5  3  68 o 28.056  2.6691 6.2647   1.1598  4.6709   1.8424  7.3110   1.4927  23.699  5.1094 30.237  3.1976 -6.537949      6.027458 
1 1 1 5  3  69 o 57.023  1.7513 25.564   1.5655  24.535   2.5143  26.215   2.0007  55.647  2.8922 57.694  2.2120 -2.046520      3.641138 
1 1 1 5  3  70 o 69.658  1.6564 38.144   1.8088  40.235   2.9914  36.939   2.2710  71.375  2.6735 68.486  2.1152 2.889206       3.409045 
1 1 1 5  3  71 o 74.566  1.4727 43.693   1.7215  45.438   3.1056  42.919   2.0683  75.836  2.6123 73.859  1.7863 1.976669       3.164635 
1 1 1 5  3  72 o 60.832  1.5401 29.095   1.4687  30.228   2.7103  28.623   1.7476  61.790  2.7980 60.297  1.8488 1.492798       3.353597 
1 1 1 5  3  73 o 46.533  1.8094 17.051   1.3199  19.078   3.3973  16.691   1.4325  48.440  4.5263 46.017  1.9857 2.423065       4.942732 
1 1 1 5  3  74 o 14.369  4.0084 1.7083   0.9371  -0.1825  2.5169  2.0125   1.0097  14.034  6.1101 15.539  4.0893 -1.505326      7.352258 
1 1 1 5  3  75 o 90.022  1.3728 63.732   1.9373  65.069   3.6996  63.227   2.2741  90.574  2.6055 89.607  1.6188 0.9667664      3.067492 
1 1 1 5  3  76 o 39.470  2.7679 12.452   1.7018  14.038   2.0508  8.9418   3.0500  41.804  3.1525 32.107  6.2845 9.697151       7.030880 
1 1 1 5  3  77 o 35.330  2.9246 10.030   1.6052  10.639   1.8733  8.3481   3.1143  36.263  3.3325 30.697  6.6628 5.566326       7.449744 
1 1 1 5  3  78 o 30.233  3.2134 7.4176   1.4997  8.2745   1.7603  5.1490   2.8641  31.820  3.5916 23.890  7.1158 7.929922       7.970887 
1 1 1 5  3  79 o 17.234  4.8581 2.5440   1.3690  3.1629   1.5822  0.7000   2.7311  19.104  5.1610 15.464  6.5394 3.639326       8.330618 
1 1 1 5  3  80 o 35.835  2.2975 10.253   1.2839  10.515   1.4095  8.9738   3.1104  36.234  2.4967 31.607  6.4945 4.626705       6.957881 
1 1 1 5  3  81 o 55.571  3.3229 25.065   2.8815  26.624   4.1810  23.654   3.9768  56.269  4.7852 52.977  4.8419 3.291943       6.807494 
1 1 1 5  3  82 o 28.539  5.1529 7.0605   2.2206  5.8574   3.2077  8.1677   3.0771  24.863  7.5590 29.818  6.7412 -4.955189      10.12824 
1 1 1 5  3  83 o 20.312  6.1571 3.7129   2.1305  4.5710   3.0074  2.8483   3.0187  22.203  7.3866 19.022  7.2673 3.181488       10.36225 
1 1 1 5  3  84 o 48.901  3.3112 19.534   2.5234  18.000   3.5619  21.081   3.5753  45.736  5.0523 49.876  4.6253 -4.140919      6.849763 
1 1 1 5  3  85 o 26.396  5.1660 6.1659   2.0611  5.5517   2.9088  6.7853   2.9210  23.936  7.1806 26.602  6.9336 -2.666292      9.981795 
1 1 1 5  3  86 o 16.043  6.7899 1.2406   2.9484  1.2406   2.9484  0.0000   0.0000  16.043  6.7899 ?       ?      0.000000       6.789917 
1 1 1 5  4  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 5  4  1  o 541.989 11.322 2308.64  96.202  2308.64  96.202  0.0000   0.0000  541.989 11.322 ?       ?      0.000000       11.32238 
1 1 1 5  4  2  o 287.239 3.1782 646.848  14.311  622.749  19.504  674.959  21.065  281.811 4.4148 293.381 4.5801 -11.57083      6.361445 
1 1 1 5  4  3  o 531.558 4.1892 2215.55  34.908  2205.45  45.953  2229.34  53.679  530.274 5.5278 533.079 6.4233 -2.805115      8.474438 
1 1 1 5  4  4  o 225.674 2.1385 399.234  7.5658  397.736  9.2143  402.335  13.255  225.245 2.6095 226.527 3.7325 -1.282059      4.554195 
1 1 1 5  4  5  o 586.281 4.0546 2695.13  37.266  2703.54  50.162  2684.77  55.670  587.117 5.4500 585.032 6.0700 2.084229       8.157706 
1 1 1 5  4  6  f 186.442 1.5215 272.477  4.4470  271.462  5.9564  273.755  6.6843  186.091 2.0418 186.873 2.2817 -0.7821655     3.061849 
1 1 1 5  4  7  o 365.419 2.4746 1046.79  14.176  1054.23  20.174  1039.53  19.924  366.692 3.5094 364.129 3.4903 2.563599       4.949613 
1 1 1 5  4  8  o 334.276 2.1803 875.942  11.425  875.491  16.896  876.321  15.509  334.171 3.2252 334.335 2.9590 -0.1638489     4.376984 
1 1 1 5  4  9  o 447.480 2.7199 1569.77  19.080  1532.27  26.294  1611.46  27.729  442.073 3.7942 453.350 3.9017 -11.27689      5.442312 
1 1 1 5  4  10 o 88.348  0.9729 61.182   1.3474  61.293   1.8756  61.063   1.9369  88.427  1.3530 88.261  1.3998 0.1661682      1.946854 
1 1 1 5  4  11 o 162.767 1.1570 207.666  2.9521  206.979  4.3128  208.272  4.0495  162.495 1.6930 163.002 1.5847 -0.5072327     2.319003 
1 1 1 5  4  12 o 249.063 1.5616 486.254  6.0973  488.663  8.9932  484.205  8.2948  249.673 2.2977 248.533 2.1290 1.139832       3.132380 
1 1 1 5  4  13 o 575.014 3.3146 2592.23  29.879  2505.95  42.407  2677.27  42.105  565.299 4.7852 584.313 4.5966 -19.01398      6.635289 
1 1 1 5  4  14 o 600.583 3.4551 2827.94  32.530  2841.82  48.120  2816.25  44.146  601.974 5.0991 599.282 4.6990 2.691650       6.934097 
1 1 1 5  4  15 o 213.974 1.3941 358.891  4.6762  361.705  6.9101  356.513  6.3515  214.807 2.0520 213.260 1.8998 1.546173       2.796450 
1 1 1 5  4  16 o 409.036 2.5039 1311.59  16.056  1312.62  22.691  1310.56  22.721  409.172 3.5375 408.849 3.5450 0.3221436      5.008034 
1 1 1 5  4  17 o 522.934 3.0267 2143.86  24.813  2108.98  35.890  2175.79  34.343  518.611 4.4144 526.772 4.1587 -8.161743      6.064810 
1 1 1 5  4  18 o 445.250 2.7087 1554.16  18.907  1542.82  26.515  1565.88  26.968  443.592 3.8128 446.893 3.8495 -3.301514      5.418126 
1 1 1 5  4  19 o 184.839 1.3183 267.808  3.8201  263.409  5.2938  272.588  5.5180  183.311 1.8421 186.477 1.8876 -3.166046      2.637505 
1 1 1 5  4  20 o 321.397 2.0193 809.736  10.174  796.599  14.139  823.842  14.651  318.766 2.8294 324.169 2.8830 -5.404022      4.039457 
1 1 1 5  4  21 o 174.425 1.4025 238.485  3.8351  241.298  5.4324  235.690  5.4148  175.447 1.9751 173.396 1.9920 2.051117       2.805216 
1 1 1 5  4  22 o 368.869 2.2806 1066.64  13.188  1081.78  18.878  1052.20  18.432  371.456 3.2418 366.344 3.2094 5.112549       4.561715 
1 1 1 5  4  23 o 106.712 1.1358 89.261   1.9001  90.962   2.7222  87.645   2.6536  107.722 1.6120 105.740 1.6008 1.981888       2.271784 
1 1 1 5  4  24 o 289.275 2.2549 655.988  10.226  659.890  14.548  652.177  14.376  290.116 3.1987 288.416 3.1795 1.700134       4.510092 
1 1 1 5  4  25 o 144.492 1.2638 163.654  2.8627  162.346  4.0257  164.992  4.0715  143.911 1.7844 145.078 1.7902 -1.167679      2.527625 
1 1 1 5  4  26 o 129.608 1.2088 131.675  2.4561  128.639  3.4271  134.880  3.5218  128.103 1.7066 131.173 1.7126 -3.070480      2.417730 
1 1 1 5  4  27 o 210.952 1.7711 348.841  5.8570  352.245  8.3651  345.568  8.2033  211.969 2.5173 209.951 2.4924 2.018265       3.542470 
1 1 1 5  4  28 o 663.104 4.3347 3448.44  45.061  3402.08  62.838  3497.51  64.652  658.459 6.0875 667.620 6.1773 -9.161316      8.672753 
1 1 1 5  4  29 o 242.923 1.6770 462.595  6.3865  469.036  9.6121  457.504  8.5454  244.596 2.5068 241.575 2.2564 3.021118       3.372761 
1 1 1 5  4  30 o 237.702 1.5791 442.920  5.8844  442.359  8.3378  443.476  8.3057  237.541 2.2390 237.841 2.2276 -0.2998657     3.158396 
1 1 1 5  4  31 o 260.924 1.6944 533.702  6.9309  540.346  9.9289  527.387  9.6793  262.529 2.4125 259.362 2.3806 3.166351       3.389305 
1 1 1 5  4  32 o 101.002 1.0142 79.966   1.6058  80.788   2.3026  79.187   2.2406  101.518 1.4469 100.507 1.4220 1.010368       2.028702 
1 1 1 5  4  33 f 442.375 2.6906 1534.45  18.659  1528.67  26.288  1540.31  26.489  441.468 3.7985 443.143 3.8129 -1.675598      5.382079 
1 1 1 5  4  34 o 445.973 2.7114 1559.58  18.957  1554.84  26.731  1564.38  26.887  445.210 3.8300 446.573 3.8406 -1.362335      5.423953 
1 1 1 5  4  35 o 383.057 2.3572 1150.51  14.155  1157.58  20.145  1143.60  19.894  384.171 3.3449 381.845 3.3235 2.325378       4.715273 
1 1 1 5  4  36 o 122.550 1.0582 117.729  2.0330  119.106  2.9128  116.420  2.8389  123.261 1.5074 121.863 1.4860 1.397758       2.116722 
1 1 1 5  4  37 o 162.740 1.2092 207.613  3.0850  205.782  4.3501  209.465  4.3757  162.013 1.7128 163.456 1.7076 -1.443512      2.418574 
1 1 1 5  4  38 o 249.811 1.6319 489.250  6.3907  489.823  9.0574  488.681  9.0183  249.933 2.3117 249.642 2.3044 0.2913208      3.264055 
1 1 1 5  4  39 o 214.488 1.4520 360.663  4.8823  357.716  6.8682  363.673  6.9415  213.593 2.0512 215.364 2.0560 -1.771057      2.904225 
1 1 1 5  4  40 o 154.377 1.1712 186.827  2.8344  185.970  4.0051  187.687  4.0118  154.014 1.6588 154.724 1.6540 -0.7094574     2.342511 
1 1 1 5  4  41 o 81.283  1.0362 51.792   1.3204  50.891   1.7138  53.107   2.0711  80.571  1.3568 82.303  1.6052 -1.732521      2.101800 
1 1 1 5  4  42 o 179.866 1.4423 253.630  4.0669  255.613  5.7994  251.712  5.7048  180.551 2.0489 179.169 2.0311 1.382446       2.885014 
1 1 1 5  4  43 o 213.907 1.6159 358.738  5.4185  361.493  7.7178  356.059  7.6092  214.701 2.2930 213.082 2.2779 1.619186       3.232161 
1 1 1 5  4  44 o 62.563  1.2501 30.684   1.2261  30.525   1.7584  30.835   1.7104  62.395  1.7977 62.712  1.7398 -0.3172989     2.501715 
1 1 1 5  4  45 o 229.980 1.7077 414.695  6.1567  412.181  8.6751  417.247  8.7390  229.248 2.4139 230.652 2.4169 -1.404373      3.415853 
1 1 1 5  4  46 o 177.312 1.4424 246.490  4.0093  246.970  5.6927  246.017  5.6475  177.465 2.0462 177.123 2.0339 0.3422699      2.885083 
1 1 1 5  4  47 o 101.981 1.1868 81.533   1.8974  80.343   2.6900  82.711   2.6767  101.226 1.6952 102.708 1.6624 -1.481483      2.374287 
1 1 1 5  4  48 o 251.968 1.8323 497.845  7.2374  503.743  10.365  492.232  10.111  253.403 2.6091 250.494 2.5747 2.909195       3.665575 
1 1 1 5  4  49 o 92.408  1.1297 66.945   1.6365  68.234   2.2812  65.578   2.3490  93.287  1.5599 91.451  1.6384 1.835205       2.262244 
1 1 1 5  4  50 f 364.520 2.3787 1042.38  13.593  1045.41  18.490  1038.81  20.053  364.923 3.2320 363.719 3.5168 1.203888       4.776390 
1 1 1 5  4  51 o 316.721 2.1080 786.843  10.466  794.519  14.343  778.098  15.308  318.164 2.8756 314.824 3.1017 3.339417       4.229561 
1 1 1 5  4  52 o 116.955 1.1976 107.245  2.1957  106.665  2.9204  108.000  3.3303  116.627 1.5973 117.347 1.8103 -0.7200851     2.414253 
1 1 1 5  4  53 o 202.750 1.5184 322.368  4.8261  323.767  6.5144  320.668  7.1852  203.150 2.0455 202.155 2.2673 0.9945526      3.053626 
1 1 1 5  4  54 o 123.455 1.1202 119.501  2.1679  118.326  2.7411  121.464  3.5427  122.835 1.4235 124.434 1.8161 -1.599182      2.307472 
1 1 1 5  4  55 o 65.544  1.3278 33.690   1.3643  35.613   1.9877  31.978   1.8760  67.371  1.8820 63.841  1.8745 3.530605       2.656263 
1 1 1 5  4  56 o 87.744  1.2467 60.378   1.7148  63.135   2.5081  57.957   2.3499  89.702  1.7836 85.947  1.7441 3.755089       2.494603 
1 1 1 5  4  57 o 164.967 1.5248 213.496  3.9433  205.240  5.8638  220.312  5.3279  161.656 2.3138 167.524 2.0287 -5.868805      3.077270 
1 1 1 5  4  58 o 107.126 1.2464 90.012   2.0932  87.947   2.9620  92.072   2.9584  105.854 1.7849 108.312 1.7423 -2.457855      2.494312 
1 1 1 5  4  59 o 102.785 1.2324 82.870   1.9858  82.240   2.8358  83.476   2.7818  102.355 1.7673 103.126 1.7207 -0.7703247     2.466588 
1 1 1 5  4  60 o 42.824  1.5884 14.393   1.0663  13.139   1.4759  15.764   1.5424  40.819  2.3159 44.789  2.1967 -3.969822      3.191949 
1 1 1 5  4  61 o 160.730 1.4843 202.751  3.7400  205.456  5.1081  199.626  5.4908  161.713 2.0149 159.367 2.1978 2.346161       2.981651 
1 1 1 5  4  62 o 122.381 1.2621 117.512  2.4215  117.878  3.4929  117.174  3.3599  122.506 1.8188 122.148 1.7546 0.3579941      2.527175 
1 1 1 5  4  63 o 64.189  1.2723 32.331   1.2802  32.325   1.8083  32.336   1.8128  64.148  1.7982 64.159  1.8023 -0.1097107E-01 2.545953 
1 1 1 5  4  64 o 25.077  2.5562 5.0030   0.9908  3.7168   1.2783  6.9386   1.5681  21.322  3.9705 29.427  3.4657 -8.105398      5.270329 
1 1 1 5  4  65 o 37.664  1.7282 11.145   1.0204  9.8255   1.2702  13.547   1.7136  35.258  2.3109 41.376  2.6558 -6.118362      3.520495 
1 1 1 5  4  66 o 52.780  1.7199 21.889   1.4230  20.455   2.0990  23.109   1.9358  50.871  2.6412 54.181  2.2791 -3.310631      3.488558 
1 1 1 5  4  67 o 46.577  1.7848 17.053   1.3032  15.421   1.9418  18.390   1.7580  44.112  2.8229 48.323  2.3206 -4.211395      3.654292 
1 1 1 5  4  68 o 48.102  1.7430 18.189   1.3144  19.271   1.9877  17.348   1.7521  49.361  2.5776 46.857  2.3933 2.504543       3.517307 
1 1 1 5  4  69 o 50.905  1.9704 20.393   1.5724  19.741   2.5112  20.813   2.0167  49.815  3.2331 51.364  2.5046 -1.548294      4.089734 
1 1 1 5  4  70 o 18.195  4.3285 2.7534   1.2167  3.3411   1.9310  2.3663   1.5669  20.035  5.8094 17.102  5.2983 2.933195       7.862661 
1 1 1 5  4  71 o 51.152  2.2382 20.637   1.7948  19.582   2.4228  21.919   2.6720  49.586  3.1329 52.437  3.2666 -2.851608      4.526123 
1 1 1 5  4  72 o 39.222  2.6013 12.222   1.5904  11.233   2.1451  13.429   2.3700  37.331  3.7148 40.839  3.7436 -3.508430      5.273892 
1 1 1 5  4  73 o 49.094  2.0408 19.012   1.5707  16.783   2.4308  20.609   2.0580  45.749  3.4140 50.955  2.5848 -5.206455      4.282113 
1 1 1 5  4  74 o 19.449  4.1147 3.1576   1.2154  3.7759   1.9619  2.7725   1.5483  21.018  5.7761 18.155  5.1836 2.862928       7.760959 
1 1 1 5  4  75 o 43.942  2.6426 15.386   1.8120  13.612   3.4293  16.073   2.1342  40.198  5.5934 44.794  3.0575 -4.596512      6.374533 
1 1 1 5  4  76 o 25.927  3.3298 5.4723   1.3221  3.1564   2.9682  6.0455   1.4767  20.087  7.2957 27.207  3.5466 -7.119875      8.112091 
1 1 1 5  4  77 f 26.481  2.7576 5.6500   1.1280  8.5215   1.9929  4.2966   1.3682  32.147  4.0440 22.700  3.9904 9.447254       5.681319 
1 1 1 5  4  78 o 17.668  3.8855 2.6314   1.0469  0.6811   1.8167  3.6010   1.2810  13.264  5.4480 20.675  4.0971 -7.411102      6.816668 
1 1 1 5  4  79 o 10.159  3.9285 0.5781   0.8895  -1.7997  1.6160  1.6116   1.0654  8.9715  4.2580 13.978  4.3752 -5.006673      6.105163 
1 1 1 5  4  80 o 44.462  2.1929 15.710   1.5285  14.769   1.6757  20.370   3.7297  42.955  2.4993 49.112  4.9101 -6.157085      5.509580 
1 1 1 5  4  81 o 43.908  2.6446 15.482   1.8118  14.886   2.0701  17.432   3.7462  42.861  3.1018 44.975  5.4226 -2.114243      6.247044 
1 1 1 5  4  82 o 39.234  2.0740 12.262   1.2711  12.203   1.3573  12.678   3.6246  39.093  2.2238 37.541  6.3876 1.551987       6.763638 
1 1 1 5  4  83 o 42.201  4.1586 14.885   2.7155  13.519   3.8931  16.180   3.7895  38.396  6.7122 42.831  5.7923 -4.435001      8.865906 
1 1 1 5  4  84 o 53.938  3.5163 23.917   2.9570  21.574   4.0862  26.492   4.2844  49.766  5.3201 55.525  4.9749 -5.758732      7.283711 
1 1 1 5  4  85 o 10.493  4.9566 -1.9192  2.1413  -1.3238  2.9704  -2.5633  3.0897  13.247  6.1165 12.472  5.9102 0.7745638      8.505365 
1 1 1 5  4  86 o 15.272  6.6429 0.6928   2.9694  0.6928   2.9694  0.0000   0.0000  15.272  6.6429 ?       ?      0.000000       6.642944 
1 1 1 5  5  0  o 324.342 4.0683 825.031  20.678  825.031  20.678  825.031  20.678  324.342 4.0683 324.342 4.0683 0.000000       0.000000 
1 1 1 5  5  1  o 257.082 2.3685 518.205  9.5435  518.205  9.5435  518.205  9.5435  257.082 2.3685 257.082 2.3685 -0.000000      0.000000 
1 1 1 5  5  2  o 515.250 4.3970 2081.78  35.510  2081.78  35.510  2081.78  35.510  515.250 4.3970 515.250 4.3970 -0.000000      0.000000 
1 1 1 5  5  3  o 130.339 1.5482 133.219  3.1624  133.219  3.1624  133.219  3.1624  130.339 1.5482 130.339 1.5482 0.000000       0.000000 
1 1 1 5  5  4  o 357.195 3.1358 1000.41  17.556  1000.41  17.556  1000.41  17.556  357.195 3.1358 357.195 3.1358 -0.000000      0.000000 
1 1 1 5  5  5  o 151.460 1.6550 179.881  3.9285  179.881  3.9285  179.881  3.9285  151.460 1.6550 151.460 1.6550 0.000000       0.000000 
1 1 1 5  5  6  o 260.862 2.6348 533.589  10.773  533.589  10.773  533.589  10.773  260.862 2.6348 260.862 2.6348 0.000000       0.000000 
1 1 1 5  5  7  o 1011.67 10.366 8033.19  164.361 8033.19  164.361 8033.19  164.361 1011.67 10.366 1011.67 10.366 -0.000000      0.000000 
1 1 1 5  5  8  o 105.419 1.7903 87.186   2.9568  87.186   2.9568  87.186   2.9568  105.419 1.7903 105.419 1.7903 0.000000       0.000000 
1 1 1 5  5  9  o 659.650 6.8278 3413.39  70.590  3413.39  70.590  3413.39  70.590  659.650 6.8278 659.650 6.8278 0.000000       0.000000 
1 1 1 5  5  10 o 397.521 4.2315 1239.27  26.363  1239.27  26.363  1239.27  26.363  397.521 4.2315 397.521 4.2315 -0.000000      0.000000 
1 1 1 5  5  11 o 188.909 2.3224 279.864  6.8753  279.864  6.8753  279.864  6.8753  188.909 2.3224 188.909 2.3224 -0.000000      0.000000 
1 1 1 5  5  12 o 87.353  1.7653 59.885   2.4152  59.885   2.4152  59.885   2.4152  87.353  1.7653 87.353  1.7653 0.000000       0.000000 
1 1 1 5  5  13 o 89.431  2.1067 62.797   2.9499  62.797   2.9499  62.797   2.9499  89.431  2.1067 89.431  2.1067 0.000000       0.000000 
1 1 1 5  5  14 o 86.459  1.8008 58.671   2.4384  58.671   2.4384  58.671   2.4384  86.459  1.8008 86.459  1.8008 0.000000       0.000000 
1 1 1 5  5  15 o 257.840 2.9361 521.351  11.864  521.351  11.864  521.351  11.864  257.840 2.9361 257.840 2.9361 -0.000000      0.000000 
1 1 1 5  5  16 o 809.383 9.6267 5141.91  122.109 5141.91  122.109 5141.91  122.109 809.383 9.6267 809.383 9.6267 0.000000       0.000000 
1 1 1 5  5  17 o 191.012 2.3710 286.135  7.0974  286.135  7.0974  286.135  7.0974  191.012 2.3710 191.012 2.3710 -0.000000      0.000000 
1 1 1 5  5  18 o 173.752 1.9959 236.741  5.4348  236.741  5.4348  236.741  5.4348  173.752 1.9959 173.752 1.9959 0.000000       0.000000 
1 1 1 5  5  19 o 56.473  1.7579 25.072   1.5528  25.072   1.5528  25.072   1.5528  56.473  1.7579 56.473  1.7579 -0.000000      0.000000 
1 1 1 5  5  20 o 201.661 2.1785 318.891  6.8853  318.891  6.8853  318.891  6.8853  201.661 2.1785 201.661 2.1785 -0.000000      0.000000 
1 1 1 5  5  21 o 263.752 2.9938 545.544  12.375  545.544  12.375  545.544  12.375  263.752 2.9938 263.752 2.9938 0.000000       0.000000 
1 1 1 5  5  22 o 253.021 2.5815 502.004  10.237  502.004  10.237  502.004  10.237  253.021 2.5815 253.021 2.5815 -0.000000      0.000000 
1 1 1 5  5  23 o 200.423 2.1837 314.992  6.8592  314.992  6.8592  314.992  6.8592  200.423 2.1837 200.423 2.1837 -0.000000      0.000000 
1 1 1 5  5  24 o 247.174 2.8308 479.123  10.966  479.123  10.966  479.123  10.966  247.174 2.8308 247.174 2.8308 -0.000000      0.000000 
1 1 1 5  5  25 o 457.707 4.3162 1642.96  30.964  1642.96  30.964  1642.96  30.964  457.707 4.3162 457.707 4.3162 -0.000000      0.000000 
1 1 1 5  5  26 o 632.380 5.8682 3137.00  58.164  3137.00  58.164  3137.00  58.164  632.380 5.8682 632.380 5.8682 -0.000000      0.000000 
1 1 1 5  5  27 o 149.841 1.8689 176.081  4.3886  176.081  4.3886  176.081  4.3886  149.841 1.8689 149.841 1.8689 -0.000000      0.000000 
1 1 1 5  5  28 o 236.963 2.2447 440.291  8.3369  440.291  8.3369  440.291  8.3369  236.963 2.2447 236.963 2.2447 0.000000       0.000000 
1 1 1 5  5  29 o 169.240 1.9543 224.614  5.1834  224.614  5.1834  224.614  5.1834  169.240 1.9543 169.240 1.9543 0.000000       0.000000 
1 1 1 5  5  30 o 443.218 4.1941 1540.76  29.136  1540.76  29.136  1540.76  29.136  443.218 4.1941 443.218 4.1941 -0.000000      0.000000 
1 1 1 5  5  31 o 271.625 2.7317 578.594  11.629  578.594  11.629  578.594  11.629  271.625 2.7317 271.625 2.7317 -0.000000      0.000000 
1 1 1 5  5  32 o 488.668 4.5895 1873.31  35.152  1873.31  35.152  1873.31  35.152  488.668 4.5895 488.668 4.5895 0.000000       0.000000 
1 1 1 5  5  33 o 265.037 2.6810 550.886  11.137  550.886  11.137  550.886  11.137  265.037 2.6810 265.037 2.6810 -0.000000      0.000000 
1 1 1 5  5  34 o 143.389 1.7950 161.252  4.0335  161.252  4.0335  161.252  4.0335  143.389 1.7950 143.389 1.7950 0.000000       0.000000 
1 1 1 5  5  35 o 358.463 3.4576 1007.90  19.426  1007.90  19.426  1007.90  19.426  358.463 3.4576 358.463 3.4576 -0.000000      0.000000 
1 1 1 5  5  36 o 274.041 2.7521 588.997  11.821  588.997  11.821  588.997  11.821  274.041 2.7521 274.041 2.7521 0.000000       0.000000 
1 1 1 5  5  37 o 99.530  1.6165 77.717   2.5207  77.717   2.5207  77.717   2.5207  99.530  1.6165 99.530  1.6165 0.000000       0.000000 
1 1 1 5  5  38 o 125.695 1.7091 123.923  3.3663  123.923  3.3663  123.923  3.3663  125.695 1.7091 125.695 1.7091 -0.000000      0.000000 
1 1 1 5  5  39 o 249.133 2.5507 486.804  9.9595  486.804  9.9595  486.804  9.9595  249.133 2.5507 249.133 2.5507 0.000000       0.000000 
1 1 1 5  5  40 o 128.678 1.7123 129.874  3.4527  129.874  3.4527  129.874  3.4527  128.678 1.7123 128.678 1.7123 0.000000       0.000000 
1 1 1 5  5  41 o 108.521 1.6311 92.385   2.7735  92.385   2.7735  92.385   2.7735  108.521 1.6311 108.521 1.6311 -0.000000      0.000000 
1 1 1 5  5  42 o 10.196  5.1119 1.1990   1.0014  1.1990   1.0014  1.1990   1.0014  10.196  5.1119 10.196  5.1119 0.000000       0.000000 
1 1 1 5  5  43 o 254.366 2.5965 507.509  10.351  507.509  10.351  507.509  10.351  254.366 2.5965 254.366 2.5965 -0.000000      0.000000 
1 1 1 5  5  44 o 191.448 2.4355 287.534  7.3068  287.534  7.3068  287.534  7.3068  191.448 2.4355 191.448 2.4355 0.000000       0.000000 
1 1 1 5  5  45 f 320.157 3.5495 804.375  17.810  804.375  17.810  804.375  17.810  320.157 3.5495 320.157 3.5495 -0.000000      0.000000 
1 1 1 5  5  46 o 72.012  2.0658 40.759   2.3278  40.759   2.3278  40.759   2.3278  72.012  2.0658 72.012  2.0658 -0.000000      0.000000 
1 1 1 5  5  47 o 46.750  2.4667 17.281   1.7963  17.281   1.7963  17.281   1.7963  46.750  2.4667 46.750  2.4667 -0.000000      0.000000 
1 1 1 5  5  48 o 221.715 2.6792 385.707  9.3091  385.707  9.3091  385.707  9.3091  221.715 2.6792 221.715 2.6792 -0.000000      0.000000 
1 1 1 5  5  49 o 76.095  1.7873 45.476   2.1294  45.476   2.1294  45.476   2.1294  76.095  1.7873 76.095  1.7873 -0.000000      0.000000 
1 1 1 5  5  50 o 75.402  1.7708 44.652   2.0906  44.652   2.0906  44.652   2.0906  75.402  1.7708 75.402  1.7708 -0.000000      0.000000 
1 1 1 5  5  51 o 216.308 2.3470 367.108  7.9567  367.108  7.9567  367.108  7.9567  216.308 2.3470 216.308 2.3470 -0.000000      0.000000 
1 1 1 5  5  52 o 171.070 2.0261 229.608  5.4320  229.608  5.4320  229.608  5.4320  171.070 2.0261 171.070 2.0261 -0.000000      0.000000 
1 1 1 5  5  53 o 274.532 2.5587 591.498  11.010  591.498  11.010  591.498  11.010  274.532 2.5587 274.532 2.5587 0.000000       0.000000 
1 1 1 5  5  54 o 15.967  4.8734 2.4907   1.0656  2.4907   1.0656  2.4907   1.0656  15.967  4.8734 15.967  4.8734 0.000000       0.000000 
1 1 1 5  5  55 o 128.668 1.6321 129.901  3.2909  129.901  3.2909  129.901  3.2909  128.668 1.6321 128.668 1.6321 -0.000000      0.000000 
1 1 1 5  5  56 o 6.5344  4.3931 -0.5342  1.2797  -0.5342  1.2797  -0.5342  1.2797  6.5344  4.3931 6.5344  4.3931 -0.000000      0.000000 
1 1 1 5  5  57 o 46.595  2.2819 17.164   1.6577  17.164   1.6577  17.164   1.6577  46.595  2.2819 46.595  2.2819 0.000000       0.000000 
1 1 1 5  5  58 o 151.336 1.9827 179.831  4.7021  179.831  4.7021  179.831  4.7021  151.336 1.9827 151.336 1.9827 -0.000000      0.000000 
1 1 1 5  5  59 o 88.115  1.8024 61.004   2.4874  61.004   2.4874  61.004   2.4874  88.115  1.8024 88.115  1.8024 -0.000000      0.000000 
1 1 1 5  5  60 o 92.695  1.7895 67.509   2.5982  67.509   2.5982  67.509   2.5982  92.695  1.7895 92.695  1.7895 0.000000       0.000000 
1 1 1 5  5  61 o 33.344  2.7561 8.9198   1.4180  8.9198   1.4180  8.9198   1.4180  33.344  2.7561 33.344  2.7561 0.000000       0.000000 
1 1 1 5  5  62 o 47.000  2.1971 17.467   1.6107  17.467   1.6107  17.467   1.6107  47.000  2.1971 47.000  2.1971 -0.000000      0.000000 
1 1 1 5  5  63 o 10.829  5.5759 1.3661   1.2099  1.3661   1.2099  1.3661   1.2099  10.829  5.5759 10.829  5.5759 0.000000       0.000000 
1 1 1 5  5  64 o 31.245  3.0067 7.8998   1.4414  7.8998   1.4414  7.8998   1.4414  31.245  3.0067 31.245  3.0067 -0.000000      0.000000 
1 1 1 5  5  65 o 82.949  1.7310 54.099   2.2487  54.099   2.2487  54.099   2.2487  82.949  1.7310 82.949  1.7310 0.000000       0.000000 
1 1 1 5  5  66 o 12.603  5.2726 1.7780   1.0441  1.7780   1.0441  1.7780   1.0441  12.603  5.2726 12.603  5.2726 -0.000000      0.000000 
1 1 1 5  5  67 o 53.131  1.7790 22.250   1.4780  22.250   1.4780  22.250   1.4780  53.131  1.7790 53.131  1.7790 0.000000       0.000000 
1 1 1 5  5  68 o 32.253  3.3123 8.4751   1.6343  8.4751   1.6343  8.4751   1.6343  32.253  3.3123 32.253  3.3123 0.000000       0.000000 
1 1 1 5  5  69 o 39.860  2.8222 12.723   1.7432  12.723   1.7432  12.723   1.7432  39.860  2.8222 39.860  2.8222 -0.000000      0.000000 
1 1 1 5  5  70 o 49.073  2.7899 19.196   2.1304  19.196   2.1304  19.196   2.1304  49.073  2.7899 49.073  2.7899 0.000000       0.000000 
1 1 1 5  5  71 o 9.8240  5.9057 0.8371   1.6423  0.8371   1.6423  0.8371   1.6423  9.8240  5.9057 9.8240  5.9057 0.000000       0.000000 
1 1 1 5  5  72 o 112.818 2.3880 100.576  4.2192  100.576  4.2192  100.576  4.2192  112.818 2.3880 112.818 2.3880 0.000000       0.000000 
1 1 1 5  5  73 o 20.625  7.2141 4.5557   2.1118  4.5557   2.1118  4.5557   2.1118  20.625  7.2141 20.625  7.2141 0.000000       0.000000 
1 1 1 5  5  74 o 7.6444  5.2311 -1.1163  1.9849  -1.1163  1.9849  -1.1163  1.9849  7.6444  5.2311 7.6444  5.2311 -0.000000      0.000000 
1 1 1 5  5  75 o 47.469  3.3936 18.269   2.4957  18.269   2.4957  18.269   2.4957  47.469  3.3936 47.469  3.3936 -0.000000      0.000000 
1 1 1 5  5  76 o 16.845  7.2557 3.4085   1.9676  3.4085   1.9676  3.4085   1.9676  16.845  7.2557 16.845  7.2557 0.000000       0.000000 
1 1 1 5  5  77 o 51.199  3.2958 21.270   2.6202  21.270   2.6202  21.270   2.6202  51.199  3.2958 51.199  3.2958 0.000000       0.000000 
1 1 1 5  5  78 o 48.542  5.3930 20.326   3.9744  20.326   3.9744  20.326   3.9744  48.542  5.3930 48.542  5.3930 -0.000000      0.000000 
1 1 1 5  5  79 o 10.650  6.3300 1.2280   1.8455  1.2280   1.8455  1.2280   1.8455  10.650  6.3300 10.650  6.3300 -0.000000      0.000000 
1 1 1 5  5  80 o 49.845  2.5391 19.962   1.9723  19.962   1.9723  19.962   1.9723  49.845  2.5391 49.845  2.5391 -0.000000      0.000000 
1 1 1 5  5  81 o 53.264  2.3737 22.727   1.9731  22.727   1.9731  22.727   1.9731  53.264  2.3737 53.264  2.3737 0.000000       0.000000 
1 1 1 5  5  82 o 35.200  2.8489 10.138   1.5484  10.138   1.5484  10.138   1.5484  35.200  2.8489 35.200  2.8489 0.000000       0.000000 
1 1 1 5  5  83 o 46.886  2.9028 17.909   2.1148  17.909   2.1148  17.909   2.1148  46.886  2.9028 46.886  2.9028 0.000000       0.000000 
1 1 1 5  5  84 o 12.172  7.8276 1.4209   3.4220  1.4209   3.4220  1.4209   3.4220  12.172  7.8276 12.172  7.8276 0.000000       0.000000 
1 1 1 5  5  85 o 9.8356  6.7278 -0.6896  3.2759  -0.6896  3.2759  -0.6896  3.2759  9.8356  6.7278 9.8356  6.7278 0.000000       0.000000 
1 1 1 6  0  0  o 305.835 4.6792 733.768  22.423  733.768  22.423  733.768  22.423  305.835 4.6792 305.835 4.6792 0.000000       0.000000 
1 1 1 6  0  1  o 59.380  1.7404 27.710   1.6170  27.710   1.6170  27.710   1.6170  59.380  1.7404 59.380  1.7404 -0.000000      0.000000 
1 1 1 6  0  2  o 154.811 1.7462 187.936  4.2367  187.936  4.2367  187.936  4.2367  154.811 1.7462 154.811 1.7462 -0.000000      0.000000 
1 1 1 6  0  3  o 110.828 1.4672 96.329   2.5480  96.329   2.5480  96.329   2.5480  110.828 1.4672 110.828 1.4672 -0.000000      0.000000 
1 1 1 6  0  4  o 825.584 7.5764 5347.36  98.039  5347.36  98.039  5347.36  98.039  825.584 7.5764 825.584 7.5764 -0.000000      0.000000 
1 1 1 6  0  5  o 134.498 1.6080 141.858  3.3894  141.858  3.3894  141.858  3.3894  134.498 1.6080 134.498 1.6080 -0.000000      0.000000 
1 1 1 6  0  6  o 831.463 7.6411 5423.78  99.579  5423.78  99.579  5423.78  99.579  831.463 7.6411 831.463 7.6411 0.000000       0.000000 
1 1 1 6  0  7  o 151.008 1.7215 178.817  4.0741  178.817  4.0741  178.817  4.0741  151.008 1.7215 151.008 1.7215 0.000000       0.000000 
1 1 1 6  0  8  o 614.738 5.6779 2963.92  54.707  2963.92  54.707  2963.92  54.707  614.738 5.6779 614.738 5.6779 -0.000000      0.000000 
1 1 1 6  0  9  o 3.9687  2.7841 -0.7132  0.6590  -0.7132  0.6590  -0.7132  0.6590  3.9687  2.7841 3.9687  2.7841 0.000000       0.000000 
1 1 1 6  0  10 o 551.164 5.1095 2382.42  44.139  2382.42  44.139  2382.42  44.139  551.164 5.1095 551.164 5.1095 -0.000000      0.000000 
1 1 1 6  0  11 o 296.824 2.8763 690.847  13.381  690.847  13.381  690.847  13.381  296.824 2.8763 296.824 2.8763 -0.000000      0.000000 
1 1 1 6  0  12 o 161.373 1.7937 204.202  4.5365  204.202  4.5365  204.202  4.5365  161.373 1.7937 161.373 1.7937 0.000000       0.000000 
1 1 1 6  0  13 o 285.194 2.5382 637.727  11.346  637.727  11.346  637.727  11.346  285.194 2.5382 285.194 2.5382 -0.000000      0.000000 
1 1 1 6  0  14 o 5.0604  3.3231 -0.1184  0.6636  -0.1184  0.6636  -0.1184  0.6636  5.0604  3.3231 5.0604  3.3231 -0.000000      0.000000 
1 1 1 6  0  15 o 8.2523  4.3752 0.7676   0.7611  0.7676   0.7611  0.7676   0.7611  8.2523  4.3752 8.2523  4.3752 0.000000       0.000000 
1 1 1 6  0  16 o 705.292 6.4904 3901.65  71.749  3901.65  71.749  3901.65  71.749  705.292 6.4904 705.292 6.4904 0.000000       0.000000 
1 1 1 6  0  17 o 717.497 6.5998 4037.91  74.220  4037.91  74.220  4037.91  74.220  717.497 6.5998 717.497 6.5998 0.000000       0.000000 
1 1 1 6  0  18 o 176.727 2.1428 244.928  5.9346  244.928  5.9346  244.928  5.9346  176.727 2.1428 176.727 2.1428 0.000000       0.000000 
1 1 1 6  0  19 o 597.516 6.1654 2800.41  57.738  2800.41  57.738  2800.41  57.738  597.516 6.1654 597.516 6.1654 -0.000000      0.000000 
1 1 1 6  0  20 o 224.312 2.5194 394.568  8.8569  394.568  8.8569  394.568  8.8569  224.312 2.5194 224.312 2.5194 0.000000       0.000000 
1 1 1 6  0  21 o 748.674 8.8812 4398.78  104.203 4398.78  104.203 4398.78  104.203 748.674 8.8812 748.674 8.8812 0.000000       0.000000 
1 1 1 6  0  22 o 302.979 3.2679 719.857  15.517  719.857  15.517  719.857  15.517  302.979 3.2679 302.979 3.2679 -0.000000      0.000000 
1 1 1 6  0  23 o 361.115 3.4272 1022.55  19.398  1022.55  19.398  1022.55  19.398  361.115 3.4272 361.115 3.4272 0.000000       0.000000 
1 1 1 6  0  24 o 679.352 6.2570 3619.98  66.624  3619.98  66.624  3619.98  66.624  679.352 6.2570 679.352 6.2570 -0.000000      0.000000 
1 1 1 6  0  25 o 274.694 2.9997 591.727  12.914  591.727  12.914  591.727  12.914  274.694 2.9997 274.694 2.9997 -0.000000      0.000000 
1 1 1 6  0  26 o 1007.42 8.4218 7963.26  132.985 7963.26  132.985 7963.26  132.985 1007.42 8.4218 1007.42 8.4218 0.000000       0.000000 
1 1 1 6  0  27 o 271.023 2.4384 575.935  10.358  575.935  10.358  575.935  10.358  271.023 2.4384 271.023 2.4384 -0.000000      0.000000 
1 1 1 6  0  28 o 468.919 4.0023 1724.26  29.416  1724.26  29.416  1724.26  29.416  468.919 4.0023 468.919 4.0023 -0.000000      0.000000 
1 1 1 6  0  29 o 375.398 3.2523 1105.01  19.137  1105.01  19.137  1105.01  19.137  375.398 3.2523 375.398 3.2523 0.000000       0.000000 
1 1 1 6  0  30 o 242.949 2.0767 462.780  7.9081  462.780  7.9081  462.780  7.9081  242.949 2.0767 242.949 2.0767 0.000000       0.000000 
1 1 1 6  0  31 o 291.729 2.6179 667.319  11.970  667.319  11.970  667.319  11.970  291.729 2.6179 291.729 2.6179 0.000000       0.000000 
1 1 1 6  0  32 o 89.913  1.3875 63.415   1.9547  63.415   1.9547  63.415   1.9547  89.913  1.3875 89.913  1.3875 0.000000       0.000000 
1 1 1 6  0  33 o 7.3334  4.2088 0.5302   0.7700  0.5302   0.7700  0.5302   0.7700  7.3334  4.2088 7.3334  4.2088 -0.000000      0.000000 
1 1 1 6  0  34 o 56.663  1.6123 25.229   1.4295  25.229   1.4295  25.229   1.4295  56.663  1.6123 56.663  1.6123 0.000000       0.000000 
1 1 1 6  0  35 o 182.302 2.0260 260.622  5.7885  260.622  5.7885  260.622  5.7885  182.302 2.0260 182.302 2.0260 0.000000       0.000000 
1 1 1 6  0  36 o 276.603 2.7560 600.011  11.948  600.011  11.948  600.011  11.948  276.603 2.7560 276.603 2.7560 0.000000       0.000000 
1 1 1 6  0  37 o 230.457 2.3855 416.505  8.6162  416.505  8.6162  416.505  8.6162  230.457 2.3855 230.457 2.3855 -0.000000      0.000000 
1 1 1 6  0  38 o 45.606  2.2439 16.424   1.5954  16.424   1.5954  16.424   1.5954  45.606  2.2439 45.606  2.2439 0.000000       0.000000 
1 1 1 6  0  39 o 7.8186  4.5089 0.5931   0.8904  0.5931   0.8904  0.5931   0.8904  7.8186  4.5089 7.8186  4.5089 0.000000       0.000000 
1 1 1 6  0  40 o 565.771 5.2716 2512.53  46.747  2512.53  46.747  2512.53  46.747  565.771 5.2716 565.771 5.2716 -0.000000      0.000000 
1 1 1 6  0  41 o 476.823 4.4828 1784.18  33.502  1784.18  33.502  1784.18  33.502  476.823 4.4828 476.823 4.4828 -0.000000      0.000000 
1 1 1 6  0  42 o 42.737  1.8196 14.396   1.2141  14.396   1.2141  14.396   1.2141  42.737  1.8196 42.737  1.8196 0.000000       0.000000 
1 1 1 6  0  43 o 358.041 3.4532 1005.69  19.378  1005.69  19.378  1005.69  19.378  358.041 3.4532 358.041 3.4532 -0.000000      0.000000 
1 1 1 6  0  44 o 359.171 3.9016 1012.32  21.963  1012.32  21.963  1012.32  21.963  359.171 3.9016 359.171 3.9016 0.000000       0.000000 
1 1 1 6  0  45 o 279.364 3.1660 612.304  13.861  612.304  13.861  612.304  13.861  279.364 3.1660 279.364 3.1660 -0.000000      0.000000 
1 1 1 6  0  46 o 68.399  2.1435 36.788   2.2933  36.788   2.2933  36.788   2.2933  68.399  2.1435 68.399  2.1435 -0.000000      0.000000 
1 1 1 6  0  47 o 106.863 2.0043 89.628   3.3551  89.628   3.3551  89.628   3.3551  106.863 2.0043 106.863 2.0043 -0.000000      0.000000 
1 1 1 6  0  48 o 189.797 2.4378 282.609  7.2508  282.609  7.2508  282.609  7.2508  189.797 2.4378 189.797 2.4378 -0.000000      0.000000 
1 1 1 6  0  49 o 328.684 4.1828 848.266  21.545  848.266  21.545  848.266  21.545  328.684 4.1828 328.684 4.1828 -0.000000      0.000000 
1 1 1 6  0  50 o 55.851  2.5594 24.617   2.2302  24.617   2.2302  24.617   2.2302  55.851  2.5594 55.851  2.5594 0.000000       0.000000 
1 1 1 6  0  51 o 15.993  6.2681 2.7582   1.5046  2.7582   1.5046  2.7582   1.5046  15.993  6.2681 15.993  6.2681 0.000000       0.000000 
1 1 1 6  0  52 o 290.787 2.8908 663.513  13.175  663.513  13.175  663.513  13.175  290.787 2.8908 290.787 2.8908 0.000000       0.000000 
1 1 1 6  0  53 o 147.456 1.8312 170.572  4.2315  170.572  4.2315  170.572  4.2315  147.456 1.8312 147.456 1.8312 -0.000000      0.000000 
1 1 1 6  0  54 o 164.378 1.9266 211.977  4.9632  211.977  4.9632  211.977  4.9632  164.378 1.9266 164.378 1.9266 -0.000000      0.000000 
1 1 1 6  0  55 o 157.468 1.8722 194.542  4.6203  194.542  4.6203  194.542  4.6203  157.468 1.8722 157.468 1.8722 0.000000       0.000000 
1 1 1 6  0  56 f 11.612  5.3378 1.5453   1.0648  1.5453   1.0648  1.5453   1.0648  11.612  5.3378 11.612  5.3378 -0.000000      0.000000 
1 1 1 6  0  57 o 15.141  4.9201 2.2923   1.0332  2.2923   1.0332  2.2923   1.0332  15.141  4.9201 15.141  4.9201 -0.000000      0.000000 
1 1 1 6  0  58 o 48.121  1.7299 18.234   1.3012  18.234   1.3012  18.234   1.3012  48.121  1.7299 48.121  1.7299 -0.000000      0.000000 
1 1 1 6  0  59 o 29.313  2.4552 6.8866   1.1100  6.8866   1.1100  6.8866   1.1100  29.313  2.4552 29.313  2.4552 -0.000000      0.000000 
1 1 1 6  0  60 o 35.175  3.1128 9.9527   1.6856  9.9527   1.6856  9.9527   1.6856  35.175  3.1128 35.175  3.1128 -0.000000      0.000000 
1 1 1 6  0  61 o 19.525  2.9764 3.1975   0.8482  3.1975   0.8482  3.1975   0.8482  19.525  2.9764 19.525  2.9764 0.000000       0.000000 
1 1 1 6  0  62 o 36.922  1.6458 10.760   0.9483  10.760   0.9483  10.760   0.9483  36.922  1.6458 36.922  1.6458 -0.000000      0.000000 
1 1 1 6  0  63 o 29.268  4.6083 7.2477   1.9577  7.2477   1.9577  7.2477   1.9577  29.268  4.6083 29.268  4.6083 -0.000000      0.000000 
1 1 1 6  0  64 f 7.2427  4.9451 -1.0492  1.7519  -1.0492  1.7519  -1.0492  1.7519  7.2427  4.9451 7.2427  4.9451 -0.000000      0.000000 
1 1 1 6  0  65 o 74.825  2.6965 44.221   3.1538  44.221   3.1538  44.221   3.1538  74.825  2.6965 74.825  2.6965 0.000000       0.000000 
1 1 1 6  0  66 o 88.829  2.6122 62.246   3.6304  62.246   3.6304  62.246   3.6304  88.829  2.6122 88.829  2.6122 -0.000000      0.000000 
1 1 1 6  0  67 o 10.294  6.1099 0.9541   1.7153  0.9541   1.7153  0.9541   1.7153  10.294  6.1099 10.294  6.1099 0.000000       0.000000 
1 1 1 6  0  68 o 16.665  6.7252 3.0867   1.7148  3.0867   1.7148  3.0867   1.7148  16.665  6.7252 16.665  6.7252 0.000000       0.000000 
1 1 1 6  0  69 o 31.398  4.0655 8.1917   1.9086  8.1917   1.9086  8.1917   1.9086  31.398  4.0655 31.398  4.0655 0.000000       0.000000 
1 1 1 6  0  70 o 26.861  4.6962 6.2299   1.7966  6.2299   1.7966  6.2299   1.7966  26.861  4.6962 26.861  4.6962 0.000000       0.000000 
1 1 1 6  0  71 o 8.3456  5.4149 -0.0374  1.6874  -0.0374  1.6874  -0.0374  1.6874  8.3456  5.4149 8.3456  5.4149 -0.000000      0.000000 
1 1 1 6  0  72 o 90.968  2.5978 65.451   3.6979  65.451   3.6979  65.451   3.6979  90.968  2.5978 90.968  2.5978 -0.000000      0.000000 
1 1 1 6  0  73 o 7.8129  5.2208 -0.5211  1.7587  -0.5211  1.7587  -0.5211  1.7587  7.8129  5.2208 7.8129  5.2208 -0.000000      0.000000 
1 1 1 6  0  74 o 42.653  3.2513 14.689   2.1449  14.689   2.1449  14.689   2.1449  42.653  3.2513 42.653  3.2513 0.000000       0.000000 
1 1 1 6  0  75 o 29.329  4.4818 7.3624   1.9178  7.3624   1.9178  7.3624   1.9178  29.329  4.4818 29.329  4.4818 -0.000000      0.000000 
1 1 1 6  0  76 o 58.657  4.2754 28.156   3.8835  28.156   3.8835  28.156   3.8835  58.657  4.2754 58.657  4.2754 -0.000000      0.000000 
1 1 1 6  0  77 o 13.946  7.9694 2.3712   2.7434  2.3712   2.7434  2.3712   2.7434  13.946  7.9694 13.946  7.9694 -0.000000      0.000000 
1 1 1 6  0  78 o 59.475  2.7627 28.328   2.5633  28.328   2.5633  28.328   2.5633  59.475  2.7627 59.475  2.7627 0.000000       0.000000 
1 1 1 6  0  79 o 9.0566  5.6758 0.5303   1.6687  0.5303   1.6687  0.5303   1.6687  9.0566  5.6758 9.0566  5.6758 -0.000000      0.000000 
1 1 1 6  0  80 o 38.224  3.1996 11.968   1.8864  11.968   1.8864  11.968   1.8864  38.224  3.1996 38.224  3.1996 -0.000000      0.000000 
1 1 1 6  0  81 o 51.316  3.4455 21.549   2.7431  21.549   2.7431  21.549   2.7431  51.316  3.4455 51.316  3.4455 0.000000       0.000000 
1 1 1 6  0  82 o 25.430  6.2703 6.3221   2.1642  6.3221   2.1642  6.3221   2.1642  25.430  6.2703 25.430  6.2703 -0.000000      0.000000 
1 1 1 6  0  83 o 27.536  4.4485 6.6873   1.7700  6.6873   1.7700  6.6873   1.7700  27.536  4.4485 27.536  4.4485 0.000000       0.000000 
1 1 1 6  0  84 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 6  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 6  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 6  0  87 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 6  1  0  o 834.533 7.6641 5463.90  100.248 5463.90  100.248 5463.90  100.248 834.533 7.6641 834.533 7.6641 0.000000       0.000000 
1 1 1 6  1  1  o 502.719 3.3144 1981.44  26.121  1956.53  36.404  2007.88  37.502  499.490 4.6490 505.997 4.7277 -6.507629      6.630623 
1 1 1 6  1  2  o 462.190 3.0622 1674.78  22.188  1645.77  28.099  1722.81  36.159  458.140 3.9124 468.694 4.9213 -10.55426      6.286945 
1 1 1 6  1  3  o 267.553 1.7800 561.144  7.4659  555.692  10.018  567.952  11.196  266.243 2.4003 269.160 2.6534 -2.917084      3.577999 
1 1 1 6  1  4  o 179.915 1.3083 253.731  3.6899  253.165  4.9868  254.415  5.4853  179.711 1.7701 180.153 1.9422 -0.4418945     2.627837 
1 1 1 6  1  5  o 448.906 2.8364 1579.83  19.961  1557.37  26.640  1608.58  30.140  445.671 3.8130 452.922 4.2449 -7.250641      5.705929 
1 1 1 6  1  6  o 595.984 3.7212 2784.99  34.767  2823.10  47.762  2742.03  50.706  599.970 5.0781 591.265 5.4704 8.704712       7.464081 
1 1 1 6  1  7  o 311.372 2.0295 760.014  9.9066  772.036  13.619  746.502  14.437  313.813 2.7683 308.576 2.9845 5.237244       4.070677 
1 1 1 6  1  8  o 262.906 1.7554 541.818  7.2348  531.940  9.6236  554.657  10.971  260.492 2.3566 265.992 2.6311 -5.500153      3.532197 
1 1 1 6  1  9  o 251.407 1.7714 495.457  6.9815  492.216  9.8001  498.797  9.9483  250.575 2.4948 252.244 2.5158 -1.669250      3.543069 
1 1 1 6  1  10 o 224.320 1.6156 394.441  5.6813  393.879  7.3206  395.290  9.0089  224.156 2.0833 224.552 2.5592 -0.3960266     3.299896 
1 1 1 6  1  11 o 277.504 1.9231 603.666  8.3659  602.199  10.777  605.889  13.270  277.160 2.4804 278.000 3.0450 -0.8391724     3.927397 
1 1 1 6  1  12 o 308.829 2.2244 747.657  10.769  757.109  14.625  736.461  15.916  310.763 3.0020 306.490 3.3126 4.272888       4.470502 
1 1 1 6  1  13 o 157.967 1.4000 195.602  3.4671  198.547  4.4595  191.102  5.5125  159.150 1.7874 156.135 2.2522 3.014954       2.875261 
1 1 1 6  1  14 o 223.314 2.2612 390.929  7.9159  386.249  10.106  398.358  12.733  221.966 2.9044 225.408 3.6033 -3.442612      4.628083 
1 1 1 6  1  15 o 576.850 4.5102 2609.26  40.786  2609.71  54.011  2608.67  62.215  576.814 5.9730 576.635 6.8824 0.1789551      9.112812 
1 1 1 6  1  16 o 413.924 3.0781 1343.21  19.973  1308.91  24.623  1409.20  34.155  408.584 3.8441 423.903 5.1397 -15.31873      6.418234 
1 1 1 6  1  17 o 350.151 2.8214 961.171  15.487  964.797  20.557  956.412  23.552  350.791 3.7382 349.248 4.3017 1.542694       5.699026 
1 1 1 6  1  18 o 349.792 2.6340 959.180  14.443  953.618  20.316  964.864  20.538  348.753 3.7160 350.803 3.7345 -2.049896      5.268323 
1 1 1 6  1  19 o 392.672 2.9300 1208.80  18.037  1197.86  25.281  1220.14  25.741  390.859 4.1259 394.477 4.1625 -3.617157      5.860798 
1 1 1 6  1  20 o 282.915 2.0654 627.437  9.1603  631.570  13.795  624.178  12.252  283.830 3.1002 282.169 2.7697 1.660553       4.157228 
1 1 1 6  1  21 o 734.989 5.7226 4237.06  65.937  4250.44  87.513  4219.49  100.285 735.970 7.5851 733.153 8.7254 2.817261       11.56140 
1 1 1 6  1  22 o 450.244 3.1490 1589.30  22.227  1617.93  30.330  1556.09  32.666  454.244 4.2592 445.462 4.6777 8.781494       6.326290 
1 1 1 6  1  23 o 570.347 3.7384 2550.53  33.426  2574.27  47.705  2527.65  46.850  572.907 5.3116 567.698 5.2642 5.208618       7.478312 
1 1 1 6  1  24 o 990.411 6.4146 7695.45  99.595  7687.23  140.711 7703.70  140.986 989.450 9.0716 990.508 9.0796 -1.057617      12.83479 
1 1 1 6  1  25 o 364.439 2.5888 1041.21  14.790  1016.10  19.357  1076.42  22.926  359.999 3.4298 370.515 3.9470 -10.51611      5.229032 
1 1 1 6  1  26 o 360.372 2.4335 1018.08  13.748  1029.27  19.621  1007.30  19.269  362.321 3.4544 358.434 3.4293 3.886383       4.867515 
1 1 1 6  1  27 o 394.888 2.7858 1222.51  17.246  1209.15  22.880  1240.09  26.242  392.697 3.7167 397.670 4.2094 -4.973297      5.615399 
1 1 1 6  1  28 o 454.250 3.1756 1617.79  22.614  1611.19  33.688  1623.21  30.509  453.252 4.7411 454.963 4.2776 -1.710388      6.385618 
1 1 1 6  1  29 o 82.549  1.0032 53.415   1.2983  53.242   1.7571  53.622   1.9267  82.415  1.3600 82.708  1.4860 -0.2933273     2.014389 
1 1 1 6  1  30 o 304.944 2.1048 728.987  10.062  723.919  14.136  734.193  14.326  303.864 2.9675 306.012 2.9862 -2.148010      4.209944 
1 1 1 6  1  31 o 134.970 1.2734 142.796  2.6944  145.650  4.1874  140.780  3.5199  136.307 1.9596 134.011 1.6755 2.295776       2.578246 
1 1 1 6  1  32 o 415.085 2.9278 1350.90  19.052  1349.63  28.615  1351.91  25.534  414.815 4.4003 415.192 3.9230 -0.3773499     5.895172 
1 1 1 6  1  33 o 303.870 2.1008 723.887  10.007  724.003  15.936  723.811  12.859  303.855 3.3454 303.837 2.6997 0.1806641E-01  4.298874 
1 1 1 6  1  34 o 311.681 2.1488 761.603  10.499  775.716  17.001  752.902  13.349  314.506 3.4482 309.875 2.7479 4.630859       4.409243 
1 1 1 6  1  35 o 90.280  1.1512 63.890   1.6293  61.252   2.4992  65.839   2.1487  88.393  1.8035 91.645  1.4956 -3.252029      2.342997 
1 1 1 6  1  36 o 93.141  0.9986 68.004   1.4581  66.388   2.0671  69.604   2.0571  92.026  1.4328 94.228  1.3926 -2.202568      1.998072 
1 1 1 6  1  37 o 217.798 1.4745 371.868  5.0345  368.331  7.0836  375.478  7.1567  216.746 2.0847 218.839 2.0861 -2.092529      2.949212 
1 1 1 6  1  38 o 308.646 1.9495 746.904  9.4329  748.787  13.394  745.050  13.287  308.991 2.7651 308.220 2.7498 0.7710876      3.899654 
1 1 1 6  1  39 o 145.848 1.0908 166.747  2.4940  167.557  3.4082  165.814  3.6594  146.196 1.4871 145.432 1.6051 0.7639923      2.188081 
1 1 1 6  1  40 o 181.555 1.2521 258.400  3.5637  265.970  4.6022  247.063  5.6321  184.189 1.5939 177.511 2.0239 6.677750       2.576153 
1 1 1 6  1  41 o 127.879 1.0430 128.192  2.0909  129.529  2.6325  125.907  3.4412  128.542 1.3064 126.725 1.7322 1.816750       2.169597 
1 1 1 6  1  42 o 378.717 2.2473 1124.69  13.342  1122.18  16.937  1128.80  21.659  378.246 2.8563 379.282 3.6428 -1.035431      4.629066 
1 1 1 6  1  43 o 101.065 1.1307 80.070   1.7914  82.129   2.4830  77.835   2.5870  102.351 1.5475 99.638  1.6562 2.712646       2.266678 
1 1 1 6  1  44 o 241.495 1.6931 457.247  6.4100  459.349  8.7267  454.784  9.4461  242.024 2.3001 240.808 2.5022 1.216049       3.398727 
1 1 1 6  1  45 o 160.521 1.3668 202.004  3.4395  200.924  4.4659  203.579  5.3924  160.081 1.7796 161.125 2.1349 -1.043808      2.779288 
1 1 1 6  1  46 o 266.104 1.9097 555.238  7.9664  549.416  10.222  564.244  12.713  264.674 2.4636 268.181 3.0240 -3.507782      3.900532 
1 1 1 6  1  47 f 303.779 2.1269 723.672  10.129  722.617  13.096  725.244  15.979  303.510 2.7524 304.003 3.3529 -0.4937439     4.337942 
1 1 1 6  1  48 o 235.602 1.7419 435.240  6.4337  433.987  8.3311  437.092  10.127  235.236 2.2591 236.045 2.7367 -0.8091125     3.548674 
1 1 1 6  1  49 o 137.024 1.2806 147.198  2.7508  146.898  3.6148  147.610  4.2401  136.874 1.6846 137.198 1.9714 -0.3230438     2.593162 
1 1 1 6  1  50 o 197.041 1.7458 304.444  5.3926  303.540  6.7754  306.008  8.9071  196.726 2.1970 197.480 2.8771 -0.7543030     3.620004 
1 1 1 6  1  51 o 233.137 1.8356 426.238  6.7086  424.757  8.9587  428.128  10.122  232.688 2.4560 233.583 2.7643 -0.8949890     3.697728 
1 1 1 6  1  52 o 256.728 1.8620 516.900  7.4940  518.080  9.6637  515.120  11.869  256.975 2.3988 256.180 2.9555 0.7951050      3.806507 
1 1 1 6  1  53 o 56.677  1.3200 25.187   1.1728  24.130   1.4538  27.156   1.9846  55.470  1.6718 58.836  2.1516 -3.366405      2.724808 
1 1 1 6  1  54 o 93.099  1.1799 67.958   1.7221  68.799   2.1886  66.590   2.7906  93.666  1.4905 92.136  1.9320 1.529770       2.440112 
1 1 1 6  1  55 o 270.689 2.0356 574.893  8.6379  573.703  11.492  576.438  13.096  270.306 2.7120 270.881 3.0839 -0.5749207     4.106766 
1 1 1 6  1  56 o 21.999  2.4662 3.8471   0.8359  3.6457   1.0393  4.2159   1.4065  21.300  3.2123 22.799  4.0853 -1.498388      5.196929 
1 1 1 6  1  57 o 173.235 1.4830 235.395  4.0275  233.807  5.2787  237.607  6.2302  172.606 1.9508 173.964 2.2845 -1.358078      3.004119 
1 1 1 6  1  58 f 96.247  1.1822 72.647   1.7837  72.005   2.2689  73.685   2.8862  95.805  1.5106 96.893  1.9001 -1.087494      2.427443 
1 1 1 6  1  59 o 22.855  2.1808 4.1397   0.7719  3.9947   0.8885  4.5858   1.5586  22.398  2.5775 23.730  4.3499 -1.332447      5.056225 
1 1 1 6  1  60 o 68.156  1.0754 36.431   1.1490  35.958   1.4921  37.120   1.8012  67.700  1.4059 68.772  1.6707 -1.072655      2.183492 
1 1 1 6  1  61 o 78.016  1.2940 47.749   1.5826  47.582   2.6811  47.839   1.9606  77.816  2.1978 78.071  1.6019 -0.2554703     2.719659 
1 1 1 6  1  62 o 120.218 1.4327 113.414  2.7000  118.127  4.3598  110.482  3.4388  122.583 2.2687 118.608 1.8495 3.975571       2.927057 
1 1 1 6  1  63 o 86.464  1.5394 58.685   2.0866  59.420   2.9432  57.942   2.9585  86.942  2.1594 85.850  2.1982 1.092186       3.081472 
1 1 1 6  1  64 o 80.543  1.3346 50.910   1.6851  52.902   2.7765  49.748   2.1202  82.025  2.1592 79.590  1.6993 2.435516       2.747696 
1 1 1 6  1  65 o 30.158  1.9012 7.1758   0.8942  8.3733   1.5474  6.5753   1.0957  32.430  3.0807 28.798  2.4504 3.632206       3.936392 
1 1 1 6  1  66 o 44.924  1.5631 15.849   1.1008  14.614   2.2948  16.218   1.2546  42.849  3.4453 45.433  1.7615 -2.583557      3.869477 
1 1 1 6  1  67 o 48.754  1.4402 18.663   1.1008  18.738   2.3114  18.641   1.2519  48.615  3.0483 48.713  1.6393 -0.9847260E-01 3.461095 
1 1 1 6  1  68 o 119.149 1.4425 111.480  2.6944  113.788  5.1673  110.618  3.1577  120.089 2.7448 118.646 1.6977 1.443634       3.227358 
1 1 1 6  1  69 o 32.111  2.8250 8.2047   1.4076  6.1626   1.9209  10.573   2.0685  27.406  4.6364 36.314  3.6846 -8.907480      5.922165 
1 1 1 6  1  70 o 38.120  2.4926 11.511   1.4813  11.275   2.0575  11.765   2.1346  37.525  3.5392 38.325  3.5948 -0.7997627     5.044683 
1 1 1 6  1  71 o 32.481  2.8671 8.4093   1.4449  7.6302   2.0050  9.2511   2.0841  30.602  4.2978 33.825  4.0083 -3.222651      5.876827 
1 1 1 6  1  72 o 40.086  2.4627 12.737   1.5401  11.939   2.1251  13.620   2.2351  38.569  3.5548 41.232  3.4906 -2.663216      4.982075 
1 1 1 6  1  73 o 96.783  1.9011 73.788   2.8844  75.126   4.0562  72.418   4.1026  97.427  2.6557 95.626  2.7367 1.801025       3.813474 
1 1 1 6  1  74 o 54.836  2.0696 23.725   1.7791  21.575   2.4438  26.148   2.5951  52.022  3.0095 57.320  2.8974 -5.298134      4.177566 
1 1 1 6  1  75 o 77.992  1.8829 47.967   2.3021  47.039   3.2275  48.927   3.2845  77.001  2.6737 78.533  2.6679 -1.532204      3.777123 
1 1 1 6  1  76 o 38.598  2.4960 11.862   1.5022  14.671   2.1259  9.0622   2.1229  42.739  3.1961 33.227  4.1672 9.511700       5.251765 
1 1 1 6  1  77 o 11.941  4.9707 0.3768   1.5401  0.3436   2.6229  0.3943   1.9027  14.873  6.3531 13.066  5.4882 1.806618       8.395321 
1 1 1 6  1  78 o 64.956  2.3546 33.500   2.3977  39.172   4.3030  30.946   2.8876  69.324  3.9761 62.201  2.9613 7.123428       4.957674 
1 1 1 6  1  79 o 10.623  4.4435 0.2587   1.2393  -0.0118  1.6947  0.5695   1.8168  11.672  5.0475 13.054  5.4134 -1.382541      7.401507 
1 1 1 6  1  80 o 57.822  2.0144 26.495   1.8260  28.076   2.5262  24.765   2.6423  59.257  2.7195 55.435  3.0522 3.821850       4.087977 
1 1 1 6  1  81 o 26.767  4.4003 6.0547   1.7822  6.0547   1.7822  0.0000   0.0000  26.767  4.4003 ?       ?      0.000000       4.400292 
1 1 1 6  1  82 o 30.174  4.0549 7.5995   1.8695  7.5995   1.8695  0.0000   0.0000  30.174  4.0549 ?       ?      0.000000       4.054875 
1 1 1 6  1  83 o 44.882  2.3296 16.100   1.6335  16.034   1.9352  16.265   3.0462  44.607  2.7813 43.998  4.4789 0.6090965      5.272222 
1 1 1 6  1  84 o 63.507  2.6417 32.360   2.6300  30.094   3.8084  34.426   3.6365  60.192  4.0597 64.784  3.5947 -4.592133      5.422458 
1 1 1 6  1  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 6  1  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 6  2  0  o 463.388 3.9656 1683.77  28.803  1683.77  28.803  1683.77  28.803  463.388 3.9656 463.388 3.9656 0.000000       0.000000 
1 1 1 6  2  1  o 340.834 2.4387 910.679  13.030  924.281  19.840  900.361  17.280  343.342 3.6861 338.881 3.2526 4.460876       4.915943 
1 1 1 6  2  2  o 249.795 1.7750 489.125  6.9507  494.920  9.9533  483.610  9.7106  251.261 2.5269 248.374 2.4939 2.887085       3.550343 
1 1 1 6  2  3  o 671.422 4.6221 3535.19  48.651  3493.15  71.931  3570.64  66.050  667.233 6.8768 674.653 6.2451 -7.419556      9.289314 
1 1 1 6  2  4  o 200.113 1.5717 313.904  4.9307  308.055  7.2620  318.906  6.7161  198.233 2.3368 201.697 2.1240 -3.463303      3.157894 
1 1 1 6  2  5  o 226.877 1.7300 403.490  6.1529  408.766  9.3074  399.396  8.2004  228.346 2.6001 225.717 2.3175 2.629013       3.482952 
1 1 1 6  2  6  o 389.361 2.9205 1188.52  17.827  1145.74  24.242  1238.89  26.305  382.258 4.0454 397.487 4.2215 -15.22968      5.846921 
1 1 1 6  2  7  f 171.147 1.7185 229.608  4.6108  237.227  6.6889  222.710  6.3646  173.957 2.4528 168.551 2.4087 5.405991       3.437738 
1 1 1 6  2  8  f 484.405 4.1313 1839.89  31.373  1894.18  45.672  1791.39  43.169  491.408 5.9286 477.898 5.7622 13.50998       8.267459 
1 1 1 6  2  9  o 469.567 4.0121 1728.86  29.534  1745.11  36.550  1698.28  50.135  471.729 4.9424 465.250 6.8738 6.479370       8.466200 
1 1 1 6  2  10 o 123.661 1.3438 119.868  2.6050  120.875  3.4785  118.581  3.9308  124.177 1.7869 122.993 2.0387 1.184998       2.710943 
1 1 1 6  2  11 o 214.829 1.8781 361.775  6.3251  366.197  8.4685  356.196  9.5124  216.132 2.4994 213.156 2.8467 2.975708       3.788204 
1 1 1 6  2  12 o 851.382 6.6119 5686.46  88.248  5544.99  113.691 5900.88  139.971 840.474 8.6288 866.760 10.301 -26.28601      13.43758 
1 1 1 6  2  13 o 322.003 2.4616 812.822  12.426  825.013  17.803  801.241  17.352  324.390 3.5008 319.683 3.4625 4.706879       4.923872 
1 1 1 6  2  14 f 485.736 3.2132 1849.74  24.468  1856.85  31.718  1839.29  38.451  486.636 4.1576 484.290 5.0647 2.346283       6.552605 
1 1 1 6  2  15 o 291.944 1.9292 668.117  8.8292  666.407  11.037  671.155  14.715  291.564 2.4146 292.588 3.2081 -1.024323      4.015236 
1 1 1 6  2  16 o 530.354 3.3292 2205.20  27.679  2258.61  35.559  2123.06  44.092  536.704 4.2263 520.293 5.4058 16.41089       6.861817 
1 1 1 6  2  17 o 325.426 2.3485 830.185  11.981  845.794  14.932  801.968  20.076  328.462 2.8998 319.816 4.0044 8.646484       4.944077 
1 1 1 6  2  18 f 449.259 2.7238 1582.27  19.183  1579.52  25.049  1586.16  29.833  448.846 3.5599 449.766 4.2312 -0.9194336     5.529519 
1 1 1 6  2  19 o 227.044 1.5097 404.075  5.3733  406.200  7.0431  401.116  8.3113  227.636 1.9737 226.204 2.3438 1.432465       3.064085 
1 1 1 6  2  20 o 972.486 6.0071 7418.26  91.580  7459.76  124.712 7369.68  134.916 974.907 8.1600 968.885 8.8825 6.022644       12.06174 
1 1 1 6  2  21 o 391.889 2.4029 1203.93  14.762  1209.14  20.941  1198.78  20.814  392.713 3.4014 391.027 3.3955 1.685944       4.806127 
1 1 1 6  2  22 o 468.518 2.8362 1720.88  20.831  1727.12  29.544  1714.71  29.377  469.325 4.0155 467.637 4.0072 1.688385       5.672882 
1 1 1 6  2  23 o 357.101 2.2087 999.659  12.365  999.841  16.162  999.403  19.202  357.120 2.8868 357.029 3.4308 0.9146118E-01  4.483712 
1 1 1 6  2  24 o 358.060 2.1287 1005.03  11.949  1016.69  16.439  991.966  17.397  360.116 2.9120 355.705 3.1199 4.411102       4.267703 
1 1 1 6  2  25 o 201.212 1.3820 317.359  4.3594  316.827  5.6994  318.109  6.7676  201.040 1.8084 201.444 2.1430 -0.4034882     2.804075 
1 1 1 6  2  26 o 119.943 1.1069 112.768  2.0813  112.262  3.0718  113.197  2.8297  119.671 1.6374 120.170 1.5021 -0.4982452     2.222015 
1 1 1 6  2  27 o 320.972 2.0150 807.614  10.139  806.801  14.318  808.432  14.360  320.794 2.8471 321.118 2.8525 -0.3239441     4.030249 
1 1 1 6  2  28 o 277.620 2.0520 604.189  8.9306  618.939  13.675  593.220  11.793  280.967 3.1046 275.076 2.7347 5.891632       4.137269 
1 1 1 6  2  29 o 176.971 1.4104 245.500  3.9129  247.420  6.2762  244.279  5.0045  177.654 2.2536 176.527 1.8084 1.126709       2.889456 
1 1 1 6  2  30 o 296.663 2.0675 689.934  9.6152  686.130  15.166  692.492  12.434  295.815 3.2703 297.199 2.6687 -1.384674      4.220982 
1 1 1 6  2  31 o 656.498 4.2953 3380.34  44.206  3387.60  70.076  3375.55  56.971  656.893 6.8049 655.896 5.5407 0.9962769      8.775334 
1 1 1 6  2  32 o 184.823 1.3712 267.772  3.9729  266.017  5.8694  269.256  5.3972  184.209 2.0325 185.329 1.8577 -1.120178      2.753546 
1 1 1 6  2  33 o 162.806 1.2104 207.773  3.0892  203.681  4.7376  210.800  4.0745  161.187 1.8749 163.984 1.5850 -2.796097      2.455060 
1 1 1 6  2  34 o 361.594 2.2374 1025.10  12.683  1026.64  19.701  1024.02  16.574  361.805 3.4734 361.371 2.9256 0.4333496      4.541361 
1 1 1 6  2  35 o 163.898 1.2150 210.575  3.1218  211.891  4.8904  209.670  4.0555  164.400 1.8975 163.542 1.5818 0.8590851      2.470404 
1 1 1 6  2  36 f 85.196  0.9612 56.897   1.2837  57.325   2.0477  56.619   1.6478  85.513  1.5275 84.987  1.2368 0.5263367      1.965427 
1 1 1 6  2  37 o 65.844  0.9665 33.984   0.9976  36.060   1.6260  32.731   1.2634  67.821  1.5293 64.617  1.2472 3.204697       1.973410 
1 1 1 6  2  38 o 344.324 2.2433 929.624  12.109  930.736  17.954  928.697  16.400  344.459 3.3249 344.103 3.0402 0.3564148      4.505314 
1 1 1 6  2  39 o 85.946  1.0437 57.904   1.4063  58.362   2.0732  57.513   1.9139  86.281  1.5328 85.652  1.4254 0.6287918      2.093072 
1 1 1 6  2  40 o 303.618 1.9209 722.776  9.1431  718.338  12.797  727.404  13.067  302.642 2.6974 304.543 2.7371 -1.901245      3.842824 
1 1 1 6  2  41 o 179.949 1.3372 253.855  3.7721  252.775  5.0537  255.215  5.6681  179.555 1.7954 180.414 2.0041 -0.8587189     2.690691 
1 1 1 6  2  42 o 142.680 1.1258 159.586  2.5182  157.406  3.2490  162.866  3.9853  141.697 1.4627 144.128 1.7639 -2.431030      2.291408 
1 1 1 6  2  43 o 199.073 1.5375 310.698  4.7982  314.624  6.9683  307.159  6.6166  200.305 2.2191 197.917 2.1325 2.387512       3.077705 
1 1 1 6  2  44 o 304.682 2.1282 727.944  10.165  731.588  14.541  724.461  14.217  305.379 3.0373 303.892 2.9842 1.486816       4.258035 
1 1 1 6  2  45 o 112.933 1.3003 99.986   2.3020  103.056  3.1749  96.582   3.3427  114.646 1.7665 110.984 1.9213 3.661980       2.609947 
1 1 1 6  2  46 o 237.618 1.8586 442.725  6.9233  448.472  9.4401  436.036  10.184  239.120 2.5183 235.766 2.7555 3.353470       3.732883 
1 1 1 6  2  47 o 140.891 1.3846 155.626  3.0581  151.869  4.0749  160.469  4.6271  139.169 1.8678 143.049 2.0633 -3.880066      2.783153 
1 1 1 6  2  48 o 113.528 1.3036 101.045  2.3201  101.707  3.1625  100.273  3.4141  113.890 1.7713 113.080 1.9259 0.8093491      2.616642 
1 1 1 6  2  49 o 220.321 1.7653 380.631  6.0973  381.148  8.2382  380.004  9.0670  220.435 2.3839 220.087 2.6279 0.3478394      3.548122 
1 1 1 6  2  50 o 184.587 1.5790 267.160  4.5691  267.932  6.1883  266.236  6.7748  184.827 2.1358 184.229 2.3458 0.5978088      3.172405 
1 1 1 6  2  51 o 137.071 1.2954 147.307  2.7835  150.319  3.6661  143.207  4.2770  138.453 1.6891 135.125 2.0191 3.327591       2.632427 
1 1 1 6  2  52 o 103.901 1.2091 84.639   1.9694  86.275   2.6067  82.464   3.0059  104.891 1.5853 102.540 1.8700 2.351204       2.451499 
1 1 1 6  2  53 o 96.104  1.1346 72.412   1.7093  72.574   2.3507  72.230   2.4900  96.201  1.5587 95.970  1.6551 0.2311859      2.273500 
1 1 1 6  2  54 o 53.433  1.2059 22.386   1.0101  23.492   1.3123  20.779   1.5823  54.731  1.5295 51.466  1.9611 3.265450       2.487032 
1 1 1 6  2  55 o 18.261  2.9813 2.6874   0.8240  2.2389   0.9239  4.4314   1.8218  16.550  3.6582 23.249  5.1356 -6.698927      6.305289 
1 1 1 6  2  56 o 84.279  1.1732 55.698   1.5500  56.379   1.7989  53.735   3.0542  84.787  1.3534 82.730  2.3550 2.056946       2.716177 
1 1 1 6  2  57 o 252.363 1.9420 499.847  7.6830  500.417  9.3331  498.648  13.532  252.430 2.3585 251.716 3.4293 0.7133789      4.162013 
1 1 1 6  2  58 o 89.826  1.2764 63.285   1.7973  65.369   2.1726  58.766   3.1992  91.281  1.5183 86.493  2.3594 4.788094       2.805715 
1 1 1 6  2  59 o 129.119 1.5729 130.822  3.1838  132.451  4.2247  128.680  4.8436  129.868 2.0751 127.963 2.4145 1.905136       3.183709 
1 1 1 6  2  60 o 85.128  1.6182 56.875   2.1596  57.504   2.9940  56.194   3.1180  85.547  2.2325 84.555  2.3522 0.9914093      3.242989 
1 1 1 6  2  61 o 77.970  1.4675 47.707   1.7938  48.595   2.7252  47.029   2.3827  78.634  2.2107 77.377  1.9643 1.256256       2.957282 
1 1 1 6  2  62 o 31.840  2.3751 8.0170   1.1770  6.8228   1.9528  8.6984   1.4751  29.013  4.4342 33.109  2.8703 -4.095577      5.282094 
1 1 1 6  2  63 o 24.595  2.9275 4.8339   1.1066  5.0393   1.5586  4.6252   1.5713  24.897  4.1386 23.782  4.3759 1.115108       6.023014 
1 1 1 6  2  64 o 45.039  1.7505 15.934   1.2360  15.791   1.8604  16.047   1.6537  44.694  2.6674 45.100  2.3470 -0.4057770     3.552988 
1 1 1 6  2  65 o 15.719  3.9464 2.0352   0.9710  1.6516   1.4375  2.3571   1.3169  14.955  5.1070 16.961  4.7590 -2.005174      6.980638 
1 1 1 6  2  66 o 73.397  1.3169 42.284   1.5153  45.281   2.5076  40.560   1.9017  75.872  2.1083 71.853  1.6883 4.018616       2.700955 
1 1 1 6  2  67 o 55.642  1.5255 24.316   1.3306  25.818   2.6716  23.820   1.5345  57.097  2.9952 55.053  1.7780 2.044422       3.483181 
1 1 1 6  2  68 o 95.271  1.4771 71.287   2.2061  70.638   4.0075  71.570   2.6426  94.615  2.7018 95.419  1.7666 -0.8033295     3.228134 
1 1 1 6  2  69 o 70.080  1.4693 38.578   1.6142  38.362   3.0428  38.663   1.9042  69.691  2.7851 70.128  1.7321 -0.4370193     3.279815 
1 1 1 6  2  70 o 82.823  1.4310 53.887   1.8580  59.126   3.6072  51.995   2.1677  86.522  2.6595 81.319  1.7004 5.202797       3.156610 
1 1 1 6  2  71 o 54.610  1.4926 23.437   1.2778  20.581   2.4353  24.522   1.5011  50.869  3.0682 55.836  1.7149 -4.967323      3.514953 
1 1 1 6  2  72 o 26.843  2.1591 5.7186   0.9009  5.4639   2.0429  5.7800   1.0038  25.507  5.2828 26.949  2.4011 -1.442778      5.802893 
1 1 1 6  2  73 f 18.427  4.6926 2.8496   1.3592  2.6507   1.8755  3.0697   1.9727  18.088  5.8221 19.245  5.9420 -1.157047      8.318892 
1 1 1 6  2  74 o 67.437  2.0098 35.878   2.1247  36.874   2.9942  34.867   3.0155  68.160  2.8022 66.249  2.9036 1.911041       4.035202 
1 1 1 6  2  75 o 47.073  2.2931 17.531   1.6922  16.377   2.3294  18.821   2.4624  45.155  3.3138 48.441  3.2615 -3.285412      4.649650 
1 1 1 6  2  76 o 47.766  2.2643 18.066   1.6955  18.679   2.3297  17.376   2.4722  48.265  3.0954 46.429  3.4207 1.836433       4.613339 
1 1 1 6  2  77 o 12.386  4.7977 0.8737   1.3284  1.9284   1.7858  -0.4327  1.9876  15.957  5.6758 12.015  5.3227 3.941956       7.781139 
1 1 1 6  2  78 o 50.437  2.6452 20.331   2.0842  21.580   3.6321  19.718   2.5449  51.007  4.5915 49.403  3.3051 1.604118       5.657304 
1 1 1 6  2  79 o 36.001  3.3031 10.529   1.8434  11.155   3.2314  10.227   2.2445  35.733  5.9799 35.124  4.1568 0.6086807      7.282717 
1 1 1 6  2  80 o 10.056  4.5335 -0.6081  1.5107  -1.1502  1.7818  0.7774   2.8487  10.305  4.7509 15.749  6.6703 -5.444242      8.189296 
1 1 1 6  2  81 o 29.720  3.7277 7.3029   1.6986  7.0087   1.9902  8.0918   3.2594  28.745  4.5695 29.500  7.1276 -0.7551651     8.466542 
1 1 1 6  2  82 o 14.969  5.1759 1.7906   1.4781  -0.0770  1.7173  7.1281   2.9032  11.555  5.0386 27.802  6.7328 -16.24687      8.409372 
1 1 1 6  2  83 o 44.472  2.5833 15.889   1.7933  15.720   2.1081  16.331   3.4110  44.014  3.0746 43.630  5.0822 0.3838348      5.939857 
1 1 1 6  2  84 o 16.270  4.5480 2.2950   1.2051  2.9390   1.3363  -0.5095  2.7886  18.341  4.6432 13.792  6.1939 4.548865       7.741020 
1 1 1 6  2  85 o 18.928  6.0672 3.2427   2.0383  2.1770   2.9307  4.2412   2.8368  17.536  7.0223 21.195  7.1746 -3.659323      10.03928 
1 1 1 6  2  86 o 41.176  5.6820 15.283   3.5700  15.283   3.5700  0.0000   0.0000  41.176  5.6820 ?       ?      0.000000       5.682012 
1 1 1 6  3  0  o 428.021 9.0308 1439.09  60.535  1439.09  60.535  1439.09  60.535  428.021 9.0308 428.021 9.0308 0.000000       0.000000 
1 1 1 6  3  1  o 269.753 3.4754 570.512  14.697  532.916  23.702  593.995  18.733  260.656 5.8005 275.230 4.3416 -14.57379      7.245365 
1 1 1 6  3  2  o 131.342 1.8786 135.227  3.8681  133.659  4.4746  139.865  7.6943  130.577 2.1859 133.562 3.6748 -2.985153      4.275790 
1 1 1 6  3  3  o 423.181 4.4741 1404.28  29.682  1433.64  35.021  1329.43  55.926  427.550 5.2250 411.517 8.6690 16.03229       10.12192 
1 1 1 6  3  4  f 158.978 2.0524 198.123  5.1150  200.911  7.3874  195.556  7.0892  160.085 2.9437 157.938 2.8632 2.147095       4.106476 
1 1 1 6  3  5  o 146.449 1.7703 168.123  4.0644  166.248  5.2607  170.899  6.4017  145.628 2.3043 147.647 2.7658 -2.019241      3.599914 
1 1 1 6  3  6  o 466.620 3.4678 1707.08  25.367  1710.46  35.907  1703.71  35.842  467.025 4.9044 466.103 4.9052 0.9222107      6.936376 
1 1 1 6  3  7  o 192.139 1.5533 289.386  4.6788  290.575  7.0659  288.457  6.2437  192.528 2.3411 191.827 2.0762 0.7005463      3.129149 
1 1 1 6  3  8  o 329.909 2.1551 853.201  11.146  860.718  16.658  847.108  14.998  331.341 3.2070 328.716 2.9105 2.624115       4.330777 
1 1 1 6  3  9  o 139.158 1.1130 151.794  2.4282  153.665  3.4454  149.947  3.4226  140.012 1.5697 138.308 1.5785 1.703873       2.226151 
1 1 1 6  3  10 o 759.848 4.5154 4527.40  53.787  4572.84  76.832  4483.73  75.324  763.496 6.4192 756.027 6.3554 7.469421       9.033111 
1 1 1 6  3  11 o 585.100 3.5073 2684.03  32.171  2620.62  44.351  2754.44  46.736  578.082 4.8939 592.649 5.0303 -14.56757      7.018181 
1 1 1 6  3  12 o 262.222 1.7000 538.998  6.9884  526.859  9.6467  552.404  10.138  259.246 2.3736 265.455 2.4361 -6.209686      3.401281 
1 1 1 6  3  13 f 509.638 3.0715 2036.23  24.540  2031.90  34.601  2040.61  34.808  509.050 4.3359 510.139 4.3525 -1.088989      6.143643 
1 1 1 6  3  14 o 317.970 1.9980 792.555  9.9595  792.097  14.045  793.018  14.125  317.866 2.8186 318.050 2.8329 -0.1846008     3.996218 
1 1 1 6  3  15 o 352.198 2.1876 972.385  12.079  963.774  16.902  981.371  17.267  350.619 3.0751 353.805 3.1131 -3.185516      4.375788 
1 1 1 6  3  16 o 324.565 2.1261 825.781  10.818  827.648  14.646  823.540  16.047  324.920 2.8753 324.107 3.1582 0.8128662      4.271052 
1 1 1 6  3  17 o 305.192 2.0201 730.136  9.6651  745.136  14.607  718.455  12.890  308.295 3.0223 302.730 2.7162 5.564575       4.063486 
1 1 1 6  3  18 o 246.126 1.6199 474.854  6.2504  481.159  8.9274  468.792  8.7541  247.748 2.2986 244.543 2.2835 3.204559       3.240035 
1 1 1 6  3  19 o 693.174 4.1301 3767.55  44.880  3718.23  62.550  3819.89  64.433  688.506 5.7951 697.847 5.8897 -9.340942      8.262685 
1 1 1 6  3  20 o 219.343 1.4844 377.129  5.1042  374.034  7.1378  380.368  7.3019  218.436 2.0844 220.277 2.1145 -1.841461      2.969190 
1 1 1 6  3  21 o 277.847 2.0700 605.167  9.0165  603.816  13.437  606.274  12.161  277.521 3.0885 278.091 2.7895 -0.5695190     4.161742 
1 1 1 6  3  22 o 399.380 2.5620 1250.43  16.040  1241.73  23.598  1257.90  21.870  397.955 3.7825 400.547 3.4829 -2.592194      5.141783 
1 1 1 6  3  23 o 445.025 2.8313 1552.64  19.752  1592.12  27.389  1509.86  28.513  450.611 3.8772 438.805 4.1449 11.80594       5.675666 
1 1 1 6  3  24 o 104.875 1.1640 86.215   1.9138  87.159   2.6765  85.228   2.7375  105.446 1.6191 104.271 1.6747 1.174850       2.329416 
1 1 1 6  3  25 o 150.967 1.1835 178.651  2.8010  182.441  3.9909  174.972  3.9322  152.558 1.6687 149.402 1.6789 3.155426       2.367131 
1 1 1 6  3  26 o 142.953 1.1572 160.187  2.5933  161.887  3.6675  158.487  3.6674  143.707 1.6280 142.190 1.6453 1.517166       2.314559 
1 1 1 6  3  27 o 410.631 2.6315 1321.93  16.940  1299.74  22.503  1350.95  25.733  407.139 3.5257 415.064 3.9548 -7.924652      5.298233 
1 1 1 6  3  28 o 333.976 2.4150 874.436  12.644  876.082  17.026  872.412  18.880  334.267 3.2492 333.554 3.6106 0.7129211      4.857352 
1 1 1 6  3  29 o 321.394 2.1183 809.770  10.673  793.524  15.518  824.352  14.702  318.128 3.1117 324.255 2.8923 -6.127380      4.248253 
1 1 1 6  3  30 o 132.025 1.1666 136.634  2.4145  141.459  3.6839  133.001  3.1968  134.333 1.7494 130.256 1.5655 4.076859       2.347585 
1 1 1 6  3  31 o 136.702 1.2322 146.487  2.6407  143.012  3.6987  150.101  3.7714  135.067 1.7468 138.374 1.7386 -3.307358      2.464562 
1 1 1 6  3  32 o 205.436 1.4875 330.841  4.7905  335.316  7.1889  327.267  6.4250  206.809 2.2174 204.316 2.0059 2.493240       2.990057 
1 1 1 6  3  33 o 129.610 1.1501 131.682  2.3368  131.365  3.4694  131.945  3.1615  129.449 1.7096 129.736 1.5545 -0.2870026     2.310673 
1 1 1 6  3  34 o 260.876 1.7015 533.529  6.9584  528.529  10.694  537.200  9.1635  259.623 2.6275 261.757 2.2331 -2.134247      3.448276 
1 1 1 6  3  35 o 202.760 1.4072 322.285  4.4728  325.388  7.0042  320.148  5.8122  203.717 2.1932 202.079 1.8347 1.638184       2.859416 
1 1 1 6  3  36 o 520.919 3.2798 2128.61  26.784  2137.64  39.928  2121.23  36.115  521.778 4.8813 519.850 4.4315 1.927917       6.592834 
1 1 1 6  3  37 o 114.512 1.0864 102.793  1.9502  100.686  2.8970  104.540  2.6373  113.327 1.6307 115.477 1.4568 -2.150459      2.186651 
1 1 1 6  3  38 o 142.774 1.1826 159.797  2.6469  162.719  4.0167  157.554  3.5191  144.065 1.7785 141.763 1.5835 2.301727       2.381285 
1 1 1 6  3  39 o 106.577 1.0582 89.042   1.7681  90.952   2.7176  87.639   2.3282  107.709 1.6094 105.731 1.4046 1.977524       2.136198 
1 1 1 6  3  40 o 141.633 1.1777 157.254  2.6149  155.483  3.8909  158.712  3.5313  140.824 1.7625 142.282 1.5832 -1.458221      2.369132 
1 1 1 6  3  41 o 171.426 1.3913 230.383  3.7389  228.811  5.2229  232.036  5.3549  170.827 1.9503 172.026 1.9857 -1.198624      2.783253 
1 1 1 6  3  42 o 195.839 1.4305 300.676  4.3918  303.775  5.9328  296.919  6.5323  196.831 1.9227 194.590 2.1414 2.241364       2.877904 
1 1 1 6  3  43 o 258.446 1.7577 523.704  7.1216  522.101  9.5576  525.705  10.678  258.021 2.3629 258.894 2.6310 -0.8730469     3.536317 
1 1 1 6  3  44 o 67.928  1.2894 36.174   1.3731  34.661   2.1222  37.263   1.8008  66.484  2.0362 68.940  1.6662 -2.455544      2.631019 
1 1 1 6  3  45 o 327.181 2.3887 839.558  12.252  833.242  18.308  844.681  16.488  325.831 3.5842 328.102 3.2057 -2.271545      4.808598 
1 1 1 6  3  46 f 84.278  1.2103 55.682   1.5990  55.491   2.3622  55.844   2.1724  84.125  1.7912 84.394  1.6420 -0.2690201     2.429921 
1 1 1 6  3  47 o 120.923 1.2416 114.635  2.3537  111.132  3.3862  117.909  3.2738  119.049 1.8144 122.628 1.7030 -3.578911      2.488401 
1 1 1 6  3  48 f 318.686 2.2236 796.555  11.109  800.078  15.877  793.176  15.549  319.290 3.1720 317.916 3.1198 1.373840       4.449123 
1 1 1 6  3  49 f 174.724 1.5469 239.368  4.2370  236.837  5.6656  242.580  6.3821  173.775 2.0797 175.857 2.3150 -2.082275      3.111985 
1 1 1 6  3  50 o 46.590  1.6583 17.021   1.2112  17.402   1.6392  16.562   1.7975  47.101  2.2199 45.877  2.5088 1.224724       3.349974 
1 1 1 6  3  51 o 85.814  1.3142 57.738   1.7679  57.975   2.3925  57.453   2.6239  85.980  1.7750 85.587  1.9556 0.3930817      2.641062 
1 1 1 6  3  52 o 83.088  1.3105 54.130   1.7070  55.139   2.3062  52.909   2.5385  83.848  1.7545 82.129  1.9717 1.718948       2.639267 
1 1 1 6  3  53 o 21.679  2.8822 3.7550   0.9552  4.6494   1.2872  2.6586   1.4251  24.072  3.5145 18.077  4.9042 5.995703       6.033502 
1 1 1 6  3  54 o 78.963  1.2220 48.891   1.5127  48.348   1.9514  49.710   2.3943  78.513  1.5855 79.600  1.9188 -1.086533      2.489032 
1 1 1 6  3  55 o 129.486 1.2146 131.476  2.4655  133.281  3.3593  129.369  3.6300  130.349 1.6439 128.411 1.8032 1.937607       2.440091 
1 1 1 6  3  56 o 234.406 1.6739 431.082  6.1511  434.489  7.6897  425.031  10.250  235.271 2.0849 232.561 2.8114 2.710190       3.500159 
1 1 1 6  3  57 o 120.418 1.1132 113.713  2.1014  112.464  2.6937  115.653  3.3586  119.737 1.4351 121.398 1.7648 -1.661453      2.274614 
1 1 1 6  3  58 o 71.918  1.0358 40.560   1.1678  40.759   1.4843  40.237   1.8919  72.085  1.3134 71.604  1.6854 0.4805374      2.136752 
1 1 1 6  3  59 o 28.820  1.9251 6.5510   0.8648  5.2095   1.3740  7.4310   1.1128  25.465  3.5373 30.662  2.3325 -5.197021      4.237147 
1 1 1 6  3  60 o 171.763 1.6487 231.581  4.4395  230.467  5.5987  233.467  7.2866  171.276 2.0851 172.254 2.6984 -0.9784546     3.410137 
1 1 1 6  3  61 o 163.932 1.6144 210.961  4.1487  210.491  5.7884  211.457  5.9494  163.632 2.2565 163.994 2.3141 -0.3624878     3.232181 
1 1 1 6  3  62 o 17.548  4.0938 2.5359   1.1056  1.0095   1.6264  3.8471   1.5074  13.793  5.3181 21.613  4.5907 -7.820174      7.025437 
1 1 1 6  3  63 o 62.291  1.6214 30.469   1.5833  30.237   2.0646  30.799   2.4670  62.014  2.1236 62.550  2.5159 -0.5351830     3.292371 
1 1 1 6  3  64 o 80.944  1.6148 51.454   2.0490  55.895   3.4359  49.003   2.5526  84.237  2.6018 78.945  2.0626 5.292191       3.320195 
1 1 1 6  3  65 o 28.809  2.4396 6.5816   1.0914  8.9521   1.5990  4.5138   1.4934  33.534  3.0760 23.493  4.2097 10.04044       5.213758 
1 1 1 6  3  66 o 29.496  2.3550 6.8939   1.0799  8.0051   1.5429  5.8269   1.5119  31.675  3.1490 26.872  3.6860 4.802656       4.847936 
1 1 1 6  3  67 o 70.918  1.6156 39.514   1.7962  37.807   2.3624  41.852   2.7654  69.305  2.1743 72.882  2.4204 -3.576721      3.253634 
1 1 1 6  3  68 o 88.309  1.5684 61.271   2.1713  62.475   2.9080  59.754   3.2642  89.092  2.0821 87.073  2.3913 2.019035       3.170721 
1 1 1 6  3  69 o 74.543  1.8369 43.709   2.1466  45.774   3.4129  42.357   2.7611  76.094  2.8610 73.290  2.4032 2.804298       3.736366 
1 1 1 6  3  70 o 42.957  2.1315 14.539   1.4354  15.909   2.3685  13.743   1.8045  44.632  3.4110 41.599  2.7831 3.032703       4.402360 
1 1 1 6  3  71 o 47.732  1.8066 17.931   1.3518  16.030   2.4409  18.773   1.6235  44.747  3.5078 48.801  2.1221 -4.054062      4.099734 
1 1 1 6  3  72 f 10.294  4.1340 0.4188   1.0189  0.2740   1.8515  0.4818   1.2203  12.848  5.4059 11.191  4.5138 1.656425       7.042574 
1 1 1 6  3  73 o 50.587  1.7249 20.151   1.3679  19.279   2.4718  20.535   1.6423  49.102  3.2291 51.019  2.0533 -1.917175      3.826683 
1 1 1 6  3  74 o 49.113  1.7276 19.003   1.3301  21.247   2.5158  18.133   1.5671  51.546  3.1281 47.920  2.0860 3.626148       3.759853 
1 1 1 6  3  75 o 9.7180  3.9616 0.3176   0.9516  1.0307   1.9316  0.0891   1.0935  14.364  5.7180 9.7492  4.1311 4.614365       7.054171 
1 1 1 6  3  76 o 8.3413  3.6325 -0.1260  0.8900  -2.7054  1.9119  0.5876   1.0056  9.2521  4.4552 10.641  4.1596 -1.388703      6.095115 
1 1 1 6  3  77 o 27.013  2.1347 5.8151   0.8966  4.3716   2.0282  6.1657   0.9996  22.355  5.7537 27.781  2.3164 -5.425804      6.202451 
1 1 1 6  3  78 o 13.256  5.0519 1.1122   1.4565  3.6618   2.0304  -1.5909  2.0906  20.430  5.9666 10.875  5.0592 9.554916       7.822783 
1 1 1 6  3  79 o 69.457  2.9963 38.740   3.2625  37.889   4.6136  39.591   4.6142  67.664  4.3727 69.256  4.2708 -1.591576      6.112322 
1 1 1 6  3  80 o 39.694  4.1070 13.068   2.5187  16.341   3.6687  10.150   3.4641  43.545  5.4968 33.356  6.8538 10.18864       8.785737 
1 1 1 6  3  81 o 32.939  3.5263 8.9119   1.7926  7.0789   2.0658  14.498   3.6064  28.786  4.7431 40.692  5.8191 -11.90629      7.507290 
1 1 1 6  3  82 o 20.602  5.2710 3.7497   1.7093  3.8620   2.0046  3.4505   3.2720  20.743  5.8896 20.291  7.6080 0.4526901      9.621277 
1 1 1 6  3  83 o 10.963  4.7817 -0.0751  1.5476  -0.2405  1.8075  0.3795   2.9960  11.537  5.0951 15.322  6.6685 -3.784396      8.392244 
1 1 1 6  3  84 o 35.704  4.3491 10.806   2.3840  11.093   3.3166  10.499   3.4292  34.831  6.3062 33.512  6.7604 1.318501       9.245080 
1 1 1 6  3  85 o 21.255  6.3062 4.2400   2.2527  7.0325   3.2386  1.6222   3.1356  26.561  7.4667 16.914  7.0709 9.647280       10.28343 
1 1 1 6  3  86 o 37.596  6.3425 13.264   3.6051  13.264   3.6051  0.0000   0.0000  37.596  6.3425 ?       ?      0.000000       6.342545 
1 1 1 6  4  0  o 163.296 1.6093 209.080  4.1189  209.080  4.1189  209.080  4.1189  163.296 1.6093 163.296 1.6093 0.000000       0.000000 
1 1 1 6  4  1  o 376.405 2.2359 1110.65  13.194  1108.09  19.350  1112.88  18.036  375.948 3.2832 376.767 3.0536 -0.8180847     4.483774 
1 1 1 6  4  2  o 375.192 2.1472 1103.50  12.629  1101.75  17.822  1105.27  17.899  374.877 3.0325 375.475 3.0409 -0.5981750     4.294541 
1 1 1 6  4  3  o 171.330 1.2121 230.094  3.2556  232.434  4.8205  228.131  4.4144  172.197 1.7857 170.596 1.6506 1.600586       2.431747 
1 1 1 6  4  4  o 766.838 4.5647 4611.15  54.875  4747.60  79.986  4489.83  75.424  777.930 6.5588 756.537 6.3595 21.39380       9.135675 
1 1 1 6  4  5  o 365.194 2.1749 1045.47  12.452  1037.14  18.178  1052.83  17.091  363.716 3.1880 366.462 2.9750 -2.745728      4.360502 
1 1 1 6  4  6  o 505.723 3.1938 2005.10  25.321  1985.78  37.141  2021.89  34.611  503.221 4.7080 507.792 4.3479 -4.570984      6.408562 
1 1 1 6  4  7  o 147.290 1.2189 170.052  2.8145  173.063  3.8429  166.567  4.1337  148.586 1.6498 145.770 1.8089 2.816254       2.448256 
1 1 1 6  4  8  o 508.781 3.3664 2029.47  26.851  2020.67  37.761  2038.47  38.188  507.621 4.7452 509.852 4.7778 -2.230377      6.733791 
1 1 1 6  4  9  o 377.886 2.6984 1119.46  15.985  1124.74  24.055  1115.28  21.392  378.744 4.0514 377.158 3.6180 1.585327       5.431727 
1 1 1 6  4  10 o 536.440 3.5425 2256.17  29.791  2284.71  42.675  2229.04  41.607  539.753 5.0435 533.141 4.9781 6.612366       7.086497 
1 1 1 6  4  11 o 491.420 3.2613 1893.31  25.125  1855.19  34.775  1934.93  36.341  486.401 4.5605 496.739 4.6667 -10.33792      6.525089 
1 1 1 6  4  12 o 674.949 4.6556 3572.32  49.261  3503.96  72.383  3631.30  67.232  668.289 6.9090 680.377 6.3034 -12.08801      9.352406 
1 1 1 6  4  13 o 456.822 3.2132 1636.09  23.011  1619.44  34.142  1649.94  31.149  454.436 4.7925 458.714 4.3316 -4.277924      6.459982 
1 1 1 6  4  14 o 713.230 4.9102 3989.26  54.901  3972.57  94.729  3997.70  67.369  711.397 8.4941 713.898 6.0197 -2.500854      10.41085 
1 1 1 6  4  15 f 418.123 2.8136 1370.57  18.443  1408.19  30.000  1347.71  23.383  423.769 4.5158 414.601 3.5977 9.168396       5.773748 
1 1 1 6  4  16 o 439.391 3.2905 1513.64  22.666  1528.31  37.368  1505.09  28.509  441.434 5.3999 438.121 4.1508 3.313171       6.810860 
1 1 1 6  4  17 o 840.432 5.4640 5539.84  71.990  5505.98  113.057 5562.93  93.364  837.475 8.6114 842.005 7.0731 -4.530029      11.14380 
1 1 1 6  4  18 o 313.053 2.2930 768.260  11.253  790.222  17.366  752.364  14.775  317.473 3.4894 309.784 3.0423 7.688538       4.629416 
1 1 1 6  4  19 o 366.686 2.4983 1054.08  14.361  1040.34  22.427  1063.62  18.698  364.253 3.9276 368.326 3.2382 -4.072968      5.090346 
1 1 1 6  4  20 o 296.268 2.1946 688.083  10.193  685.393  15.207  690.278  13.735  295.669 3.2808 296.728 2.9527 -1.058624      4.413816 
1 1 1 6  4  21 o 82.502  1.1683 53.354   1.5110  52.889   2.3882  53.664   1.9512  82.140  1.8547 82.741  1.5043 -0.6007385     2.388037 
1 1 1 6  4  22 o 407.555 2.6184 1302.16  16.729  1310.14  24.956  1295.66  22.544  408.760 3.8945 406.508 3.5376 2.252228       5.261391 
1 1 1 6  4  23 o 156.655 1.2808 192.367  3.1454  191.660  4.6255  192.975  4.2899  156.363 1.8870 156.900 1.7441 -0.5364227     2.569555 
1 1 1 6  4  24 o 200.740 1.4797 315.876  4.6565  320.918  6.3748  310.108  6.8180  202.331 2.0098 198.892 2.1867 3.438538       2.969975 
1 1 1 6  4  25 o 380.266 2.2620 1133.60  13.484  1126.11  18.234  1142.63  20.032  378.987 3.0690 381.746 3.3473 -2.759399      4.541280 
1 1 1 6  4  26 o 100.867 1.0662 79.751   1.6859  79.456   2.1952  80.174   2.6322  100.679 1.3909 101.132 1.6602 -0.4529953     2.165853 
1 1 1 6  4  27 o 644.095 4.0288 3253.42  40.680  3299.32  61.253  3217.20  54.414  648.423 6.0258 640.371 5.4203 8.052429       8.104924 
1 1 1 6  4  28 o 60.711  1.1798 28.892   1.1229  27.664   1.5063  30.426   1.6846  59.406  1.6175 62.301  1.7248 -2.894550      2.364549 
1 1 1 6  4  29 o 374.682 2.6724 1100.68  15.697  1096.61  20.985  1105.85  23.651  373.951 3.5797 375.500 4.0179 -1.549255      5.381190 
1 1 1 6  4  30 o 433.333 2.7667 1472.31  18.795  1449.74  25.051  1501.39  28.428  429.945 3.7167 437.508 4.1448 -7.563568      5.567156 
1 1 1 6  4  31 o 303.972 2.0207 724.387  9.6292  738.565  13.284  708.693  13.977  306.908 2.7611 300.629 2.9658 6.278564       4.052097 
1 1 1 6  4  32 o 298.407 1.9886 698.117  9.3027  695.906  12.558  700.806  13.849  297.910 2.6889 298.946 2.9550 -1.035828      3.995294 
1 1 1 6  4  33 o 327.611 2.1542 841.497  11.063  862.172  15.348  819.131  15.963  331.574 2.9526 323.181 3.1507 8.393127       4.317956 
1 1 1 6  4  34 o 425.500 2.7194 1419.77  18.140  1432.01  24.775  1405.63  26.633  427.249 3.6990 423.264 4.0137 3.984741       5.458264 
1 1 1 6  4  35 o 297.088 1.9807 692.016  9.2247  680.890  12.303  706.304  13.942  294.656 2.6634 300.087 2.9636 -5.430328      3.984550 
1 1 1 6  4  36 o 235.005 1.6439 432.971  6.0562  435.316  8.2453  430.224  8.9244  235.621 2.2322 234.232 2.4304 1.389496       3.299969 
1 1 1 6  4  37 o 281.020 1.8923 619.179  8.3364  608.849  11.112  632.477  12.608  278.636 2.5439 283.975 2.8321 -5.338867      3.806893 
1 1 1 6  4  38 o 200.409 1.4666 314.872  4.6077  319.457  6.3215  309.674  6.7301  201.848 1.9977 198.729 2.1603 3.120010       2.942404 
1 1 1 6  4  39 o 81.035  1.1078 51.477   1.4073  52.374   1.8898  50.360   2.1087  81.735  1.4749 80.146  1.6783 1.589058       2.234311 
1 1 1 6  4  40 o 56.744  1.0937 25.241   0.9729  24.630   1.4044  25.804   1.3490  56.050  1.5982 57.371  1.4999 -1.320869      2.191837 
1 1 1 6  4  41 o 182.978 1.3220 262.477  3.7922  260.578  5.3545  264.387  5.3713  182.301 1.8736 183.629 1.8659 -1.327911      2.644230 
1 1 1 6  4  42 f 41.604  1.2896 13.570   0.8411  12.351   1.2732  14.513   1.1204  39.635  2.0562 43.024  1.6612 -3.389328      2.643411 
1 1 1 6  4  43 o 28.219  1.6372 6.2646   0.7212  6.8998   1.0796  5.7528   0.9691  29.568  2.3484 26.985  2.3132 2.583271       3.296346 
1 1 1 6  4  44 o 207.180 1.5148 336.526  4.9201  333.192  6.5614  340.810  7.4364  206.131 2.0305 208.463 2.2755 -2.332001      3.049737 
1 1 1 6  4  45 o 266.470 1.7368 556.752  7.2553  554.624  9.3970  559.893  11.416  265.931 2.2541 267.157 2.7259 -1.226288      3.537109 
1 1 1 6  4  46 o 145.964 1.3352 167.034  3.0552  171.483  4.4210  162.966  4.2270  147.879 1.9071 144.162 1.8704 3.717789       2.671181 
1 1 1 6  4  47 o 83.218  1.2328 54.293   1.6083  55.660   2.3326  53.054   2.2206  84.251  1.7661 82.256  1.7221 1.995232       2.466677 
1 1 1 6  4  48 o 159.955 1.3891 200.601  3.4834  202.176  4.9832  199.097  4.8711  160.561 1.9798 159.334 1.9502 1.226257       2.778955 
1 1 1 6  4  49 o 125.186 1.2691 122.867  2.4905  122.357  3.5509  123.360  3.4941  124.910 1.8134 125.423 1.7771 -0.5122528     2.538949 
1 1 1 6  4  50 o 92.055  1.2882 66.441   1.8591  66.334   2.8555  66.521   2.4493  91.964  1.9807 92.101  1.6964 -0.1373901     2.607799 
1 1 1 6  4  51 o 223.260 1.7032 390.908  5.9610  388.069  8.4721  393.693  8.3887  222.387 2.4301 223.997 2.3889 -1.609741      3.407704 
1 1 1 6  4  52 o 37.824  1.6364 11.220   0.9703  11.452   1.4998  11.053   1.2725  38.115  2.5243 37.470  2.1757 0.6446800      3.332543 
1 1 1 6  4  53 o 53.352  1.5141 22.323   1.2664  23.467   1.6978  20.889   1.9013  54.691  1.9802 51.589  2.3510 3.102055       3.073819 
1 1 1 6  4  54 o 154.277 1.4686 186.673  3.5518  185.608  4.7472  188.027  5.3534  153.799 1.9689 154.777 2.2063 -0.9778137     2.957107 
1 1 1 6  4  55 o 100.050 1.3120 78.505   2.0578  79.759   2.7572  76.927   3.0920  100.825 1.7444 99.004  1.9922 1.820656       2.647960 
1 1 1 6  4  56 o 140.832 1.4412 155.581  3.1819  157.371  4.2233  153.232  4.8393  141.600 1.9025 139.693 2.2098 1.906448       2.915959 
1 1 1 6  4  57 o 59.624  1.3296 27.886   1.2428  28.222   1.7288  27.527   1.7879  59.962  1.8392 59.215  1.9260 0.7465172      2.663080 
1 1 1 6  4  58 o 41.316  1.6550 13.397   1.0719  13.704   1.5895  13.141   1.4517  41.684  2.4430 40.833  2.2770 0.8508682      3.339632 
1 1 1 6  4  59 o 49.003  1.5002 18.844   1.1525  16.988   1.6567  20.585   1.6043  46.493  2.2730 51.193  1.9991 -4.700798      3.026990 
1 1 1 6  4  60 o 124.285 1.3669 121.206  2.6631  119.453  3.6169  123.282  3.9358  123.326 1.8708 125.269 2.0042 -1.942604      2.741642 
1 1 1 6  4  61 o 81.609  1.3867 52.265   1.7741  56.397   2.6498  48.909   2.3885  84.719  1.9952 78.901  1.9310 5.818321       2.776625 
1 1 1 6  4  62 o 48.115  1.4805 18.173   1.1167  16.986   1.6715  19.130   1.5009  46.470  2.2945 49.340  1.9404 -2.869690      3.004957 
1 1 1 6  4  63 o 42.541  1.6062 14.212   1.0712  13.551   1.5529  14.811   1.4796  41.425  2.4016 43.340  2.1847 -1.915264      3.246590 
1 1 1 6  4  64 o 34.981  1.7828 9.6398   0.9744  8.5664   1.5971  10.276   1.2298  32.787  3.1459 36.076  2.1848 -3.289677      3.830180 
1 1 1 6  4  65 f 95.712  1.3569 71.914   2.0359  72.909   2.7216  70.649   3.0678  96.317  1.8025 94.773  2.0648 1.543762       2.740882 
1 1 1 6  4  66 o 21.093  2.9978 3.5833   0.9634  3.0798   1.2475  4.3273   1.5163  19.305  4.2382 22.939  4.3764 -3.633562      6.092203 
1 1 1 6  4  67 o 75.417  1.3582 44.659   1.6057  45.116   2.1228  44.048   2.4549  75.753  1.7875 74.810  2.0933 0.9437180      2.752669 
1 1 1 6  4  68 o 37.727  1.9707 11.231   1.1615  9.5529   1.5803  13.202   1.7128  34.637  2.9380 40.802  2.6929 -6.164665      3.985454 
1 1 1 6  4  69 o 72.509  1.4894 41.312   1.6930  42.960   2.4094  39.704   2.3794  73.855  2.0810 70.991  2.1380 2.863991       2.983601 
1 1 1 6  4  70 o 73.607  1.7108 42.620   1.9741  46.968   3.5226  40.629   2.3836  77.010  2.9179 71.800  2.1176 5.210281       3.605310 
1 1 1 6  4  71 o 70.117  1.7213 38.689   1.8920  42.568   3.3539  36.879   2.2915  73.275  2.9197 68.383  2.1376 4.892433       3.618525 
1 1 1 6  4  72 o 51.525  2.0754 20.943   1.6764  23.528   2.7345  19.386   2.1220  54.278  3.2282 49.380  2.7521 4.897896       4.242065 
1 1 1 6  4  73 o 11.860  4.6759 0.6882   1.2802  1.6024   2.0555  0.1089   1.6364  15.859  6.0116 11.824  5.0335 4.035041       7.840620 
1 1 1 6  4  74 o 12.207  4.8805 0.6710   1.4132  0.5307   1.9885  0.8143   2.0087  13.604  5.6542 14.163  5.7627 -0.5588999     8.073355 
1 1 1 6  4  75 o 66.059  1.9209 34.460   1.9892  37.722   3.1942  32.394   2.5424  68.763  2.9632 63.871  2.5391 4.891872       3.902258 
1 1 1 6  4  76 o 51.317  1.8636 20.803   1.4992  24.330   2.7201  19.264   1.7968  55.009  3.1676 49.275  2.3261 5.733864       3.929911 
1 1 1 6  4  77 o 11.206  4.3444 0.7034   1.0900  -1.0649  1.9728  1.4805   1.3078  11.098  5.0728 13.937  4.8657 -2.838703      7.029107 
1 1 1 6  4  78 o 22.638  3.5031 4.2354   1.2031  5.6241   2.2109  3.6513   1.4340  25.274  5.7143 20.655  4.5513 4.618793       7.305304 
1 1 1 6  4  79 o 47.353  1.9755 17.771   1.4665  18.672   2.6176  17.360   1.7705  47.858  3.5136 46.610  2.4315 1.248081       4.272836 
1 1 1 6  4  80 o 24.908  2.9739 5.0560   1.1383  7.6397   2.3365  4.2520   1.3034  29.701  5.2080 22.529  3.8274 7.171375       6.463147 
1 1 1 6  4  81 o 42.671  4.3214 15.228   2.8509  17.436   4.0669  13.096   3.9976  44.480  5.9841 37.704  7.0217 6.776554       9.225752 
1 1 1 6  4  82 o 26.336  4.6646 5.9622   1.8554  4.2267   2.1484  11.053   3.6797  21.568  6.0881 34.416  7.0572 -12.84791      9.320333 
1 1 1 6  4  83 o 16.105  5.6471 2.1361   1.7624  0.7523   2.0246  6.4647   3.5809  13.695  5.6998 25.481  8.0284 -11.78563      9.845979 
1 1 1 6  4  84 o 22.608  6.7746 4.8728   2.5903  9.0186   3.8620  1.4827   3.4923  29.760  8.0732 17.318  7.3625 12.44144       10.92622 
1 1 1 6  4  85 o 10.415  4.9713 -2.3781  2.2675  -1.1742  3.2081  -3.5799  3.2053  13.818  6.3721 11.949  5.7575 1.869415       8.587933 
1 1 1 6  5  0  o 212.191 1.9270 353.020  6.4088  353.020  6.4088  353.020  6.4088  212.191 1.9270 212.191 1.9270 -0.000000      0.000000 
1 1 1 6  5  1  o 471.837 2.6591 1745.30  19.669  1765.66  28.155  1725.89  27.488  474.548 3.7847 469.174 3.7373 5.374023       5.318951 
1 1 1 6  5  2  f 320.770 1.8809 806.571  9.4585  796.472  13.222  817.157  13.537  318.745 2.6460 322.857 2.6745 -4.112091      3.762223 
1 1 1 6  5  3  o 596.245 3.3143 2787.20  30.979  2770.42  43.531  2804.42  44.097  594.383 4.6717 598.018 4.7037 -3.635010      6.629427 
1 1 1 6  5  4  o 815.878 4.6582 5219.89  59.580  5194.51  87.238  5242.08  81.565  813.690 6.8390 817.458 6.3648 -3.768127      9.342515 
1 1 1 6  5  5  o 859.574 5.1064 5794.49  68.810  5703.23  95.690  5892.22  99.020  852.565 7.1595 866.560 7.2891 -13.99487      10.21709 
1 1 1 6  5  6  o 217.851 1.4375 372.015  4.9095  361.485  7.0321  382.028  6.8573  214.741 2.0889 220.759 1.9814 -6.018433      2.879157 
1 1 1 6  5  7  o 622.498 3.5824 3038.16  34.959  3001.04  50.786  3071.59  48.195  618.594 5.2370 625.843 4.9123 -7.249207      7.180337 
1 1 1 6  5  8  o 466.631 2.7288 1707.01  19.961  1701.31  29.291  1711.95  27.276  465.812 4.0111 467.276 3.7236 -1.463898      5.473041 
1 1 1 6  5  9  o 511.326 2.9736 2049.73  23.836  2106.51  36.021  2005.49  31.793  518.304 4.4332 505.741 4.0100 12.56339       5.977788 
1 1 1 6  5  10 o 290.440 1.7935 661.250  8.1659  660.809  11.992  661.631  11.151  290.332 2.6347 290.516 2.4483 -0.1833191     3.596698 
1 1 1 6  5  11 o 574.429 3.3171 2586.98  29.871  2592.74  44.046  2582.08  40.647  574.992 4.8864 573.829 4.5184 1.163452       6.655328 
1 1 1 6  5  12 o 817.689 4.6681 5243.18  59.839  5237.79  87.949  5247.82  81.652  817.057 6.8664 817.894 6.3682 -0.8377075     9.364855 
1 1 1 6  5  13 o 129.614 1.1329 131.686  2.3019  131.764  3.2339  131.606  3.2772  129.651 1.5911 129.573 1.6134 0.7798767E-01  2.265971 
1 1 1 6  5  14 o 297.275 1.8312 692.743  8.5340  707.062  12.777  681.211  11.467  300.319 2.7139 294.782 2.4813 5.537292       3.677248 
1 1 1 6  5  15 o 405.566 2.6083 1289.47  16.583  1314.84  25.044  1269.66  22.130  409.500 3.9013 402.415 3.5079 7.085358       5.246470 
1 1 1 6  5  16 o 453.088 2.7637 1609.39  19.630  1619.51  27.909  1599.48  27.616  454.472 3.9172 451.654 3.9003 2.818207       5.527841 
1 1 1 6  5  17 o 433.976 3.0707 1476.54  20.891  1513.85  32.092  1449.11  27.520  439.364 4.6593 429.890 4.0836 9.473846       6.195541 
1 1 1 6  5  18 o 604.533 3.9699 2865.63  37.623  2871.54  53.296  2859.75  53.119  605.047 5.6189 603.804 5.6118 1.243469       7.941289 
1 1 1 6  5  19 o 201.590 1.5546 318.557  4.9130  311.093  6.8101  326.659  7.0947  199.209 2.1807 204.132 2.2170 -4.922806      3.109753 
1 1 1 6  5  20 o 476.593 3.3480 1780.89  25.014  1816.35  34.208  1740.13  36.672  481.260 4.5341 471.031 4.9663 10.22961       6.724720 
1 1 1 6  5  21 o 134.264 1.5168 141.309  3.1927  147.157  4.2574  133.795  4.8261  137.012 1.9821 130.640 2.3565 6.371277       3.079264 
1 1 1 6  5  22 o 498.440 3.7031 1948.07  28.936  1927.30  36.165  1985.02  48.238  495.724 4.6536 502.990 6.1175 -7.266083      7.686358 
1 1 1 6  5  23 o 602.579 3.9667 2847.34  37.471  2895.75  49.238  2780.72  57.761  607.589 5.1694 595.304 6.1893 12.28467       8.064113 
1 1 1 6  5  24 o 594.330 4.1224 2770.08  38.409  2759.23  46.819  2792.42  67.169  593.093 5.0355 596.424 7.1839 -3.331116      8.772958 
1 1 1 6  5  25 o 339.540 2.6211 903.850  13.952  896.079  19.525  911.958  19.943  338.042 3.6844 341.022 3.7303 -2.980316      5.243106 
1 1 1 6  5  26 o 358.858 2.7547 1009.66  15.497  989.188  21.475  1031.92  22.386  355.158 3.8570 362.743 3.9365 -7.585541      5.511180 
1 1 1 6  5  27 o 510.776 3.7955 2046.00  30.391  2058.71  43.277  2033.64  42.689  512.226 5.3894 509.102 5.3488 3.124023       7.593121 
1 1 1 6  5  28 o 58.536  1.6185 26.861   1.4853  27.325   2.0387  26.336   2.1682  59.037  2.2028 57.958  2.3863 1.078487       3.247616 
1 1 1 6  5  29 o 157.446 1.5252 194.326  3.7645  195.647  4.8207  192.260  6.0265  157.975 1.9466 156.594 2.4549 1.381073       3.133005 
1 1 1 6  5  30 o 245.846 1.9077 473.834  7.3525  466.762  9.7306  483.246  11.225  243.988 2.5440 248.248 2.8842 -4.259949      3.845886 
1 1 1 6  5  31 o 40.669  1.5433 12.966   0.9840  13.405   1.4279  12.569   1.3578  41.290  2.2141 39.980  2.1746 1.310299       3.103366 
1 1 1 6  5  32 f 219.797 1.5824 378.730  5.4523  380.123  8.1420  377.597  7.3414  220.181 2.3588 219.454 2.1339 0.7265778      3.180850 
1 1 1 6  5  33 o 544.296 3.4330 2323.91  29.293  2327.29  43.535  2321.11  39.598  544.446 5.1007 543.799 4.6450 0.6470947      6.898782 
1 1 1 6  5  34 o 216.029 1.5658 365.870  5.3027  368.469  7.9486  363.785  7.1181  216.771 2.3390 215.397 2.1080 1.374237       3.148775 
1 1 1 6  5  35 o 88.979  1.1212 62.064   1.5640  59.808   2.3157  63.956   2.1207  87.342  1.6912 90.322  1.4977 -2.980598      2.259088 
1 1 1 6  5  36 o 129.244 1.1391 130.945  2.3080  126.229  3.1898  136.126  3.3437  126.889 1.6035 131.770 1.6187 -4.880180      2.278474 
1 1 1 6  5  37 o 281.896 1.8283 623.043  8.0796  628.884  11.532  617.412  11.323  283.174 2.5978 280.581 2.5743 2.593140       3.657260 
1 1 1 6  5  38 o 283.781 1.8371 631.413  8.1726  622.795  11.409  640.495  11.712  281.798 2.5826 285.773 2.6144 -3.974304      3.674919 
1 1 1 6  5  39 o 214.440 1.4886 360.513  5.0041  367.755  7.2055  353.764  6.9550  216.562 2.1224 212.404 2.0887 4.158112       2.977791 
1 1 1 6  5  40 o 128.032 1.1317 128.502  2.2714  129.162  3.2400  127.864  3.1852  128.353 1.6102 127.706 1.5910 0.6461868      2.263622 
1 1 1 6  5  41 o 350.264 2.1954 962.080  12.055  963.215  17.076  960.951  17.022  350.391 3.1086 349.980 3.1024 0.4113159      4.391897 
1 1 1 6  5  42 o 91.641  1.0756 65.835   1.5453  65.377   2.1978  66.283   2.1731  91.317  1.5352 91.947  1.5076 -0.6308365     2.151725 
1 1 1 6  5  43 o 35.284  1.5582 9.7610   0.8619  9.5891   1.2425  9.9204   1.1966  34.892  2.2840 35.501  2.1604 -0.6089935     3.143866 
1 1 1 6  5  44 o 187.509 1.3620 275.650  4.0035  275.240  5.6673  276.059  5.6564  187.351 1.9296 187.629 1.9230 -0.2786560     2.724207 
1 1 1 6  5  45 o 103.689 1.0690 84.285   1.7377  85.602   2.4998  83.054   2.4172  104.489 1.5261 102.923 1.4981 1.565903       2.138537 
1 1 1 6  5  46 o 120.048 1.1017 112.979  2.0734  111.108  2.9134  114.900  2.9513  119.040 1.5612 121.055 1.5552 -2.014297      2.203619 
1 1 1 6  5  47 o 24.402  2.0682 4.7035   0.7837  4.8969   0.9353  4.2474   1.4360  24.866  2.4303 22.900  4.1530 1.966883       4.811842 
1 1 1 6  5  48 o 189.260 1.6293 280.874  4.8340  278.113  6.4083  284.519  7.3634  188.299 2.1709 190.436 2.4665 -2.136673      3.285783 
1 1 1 6  5  49 o 132.753 1.4003 138.181  2.9141  136.599  3.8448  140.316  4.4672  131.975 1.8584 133.746 2.1306 -1.771561      2.827195 
1 1 1 6  5  50 o 111.707 1.3516 97.844   2.3669  99.382   3.1739  95.917   3.5524  112.568 1.7986 110.578 2.0493 1.989693       2.726629 
1 1 1 6  5  51 o 215.236 1.7688 363.356  5.9682  364.617  8.0168  361.788  8.9389  215.553 2.3724 214.684 2.6560 0.8694916      3.561298 
1 1 1 6  5  52 o 115.484 1.3404 104.581  2.4266  102.810  3.2211  106.905  3.6899  114.483 1.7948 116.729 2.0164 -2.245789      2.699490 
1 1 1 6  5  53 o 79.085  1.3122 49.048   1.6269  49.377   2.1920  48.645   2.4275  79.335  1.7625 78.736  1.9667 0.5984116      2.640886 
1 1 1 6  5  54 o 78.553  1.2336 48.391   1.5191  46.681   2.1406  50.125   2.1560  77.133  1.7703 79.931  1.7206 -2.797188      2.468712 
1 1 1 6  5  55 o 91.575  1.2085 65.767   1.7349  67.403   2.5325  64.320   2.3816  92.680  1.7430 90.540  1.6780 2.140289       2.419435 
1 1 1 6  5  56 o 166.643 1.7023 217.929  4.4470  214.099  5.9005  222.966  6.7662  165.094 2.2798 168.431 2.5625 -3.337006      3.429896 
1 1 1 6  5  57 o 44.189  1.9978 15.334   1.3839  15.761   2.2371  15.069   1.7614  44.620  3.2197 43.702  2.5825 0.9176483      4.127482 
1 1 1 6  5  58 o 45.217  1.6732 16.049   1.1861  15.885   1.5889  16.256   1.7824  44.902  2.2646 45.397  2.5143 -0.4953003     3.383793 
1 1 1 6  5  59 o 66.576  1.2211 34.771   1.2745  34.146   1.5525  36.065   2.2320  65.960  1.5014 67.747  2.1016 -1.786621      2.582805 
1 1 1 6  5  60 o 88.283  1.4347 61.168   1.9856  62.563   2.8497  59.852   2.7683  89.226  2.0373 87.274  2.0233 1.952690       2.871339 
1 1 1 6  5  61 o 102.320 1.5419 82.193   2.4732  82.814   3.3504  81.449   3.6662  102.639 2.0822 101.758 2.2982 0.8816681      3.101214 
1 1 1 6  5  62 o 108.392 1.4475 92.230   2.4597  91.592   3.5144  92.842   3.4437  107.930 2.0771 108.674 2.0214 -0.7432861     2.898323 
1 1 1 6  5  63 f 12.412  4.3624 1.0824   1.0521  0.6806   1.4741  1.4996   1.5020  12.576  4.9986 14.665  5.2064 -2.088819      7.217514 
1 1 1 6  5  64 o 51.356  1.6275 20.718   1.3103  22.590   1.9689  19.230   1.7554  53.564  2.3447 49.427  2.2655 4.137016       3.260378 
1 1 1 6  5  65 o 14.328  3.9903 1.6790   0.9294  0.3654   1.3221  2.9625   1.3069  11.347  4.6526 18.906  4.4784 -7.558739      6.457779 
1 1 1 6  5  66 o 25.573  2.4090 5.1989   0.9544  5.0613   1.3611  5.3320   1.3385  25.019  3.5717 25.727  3.4024 -0.7072754     4.932908 
1 1 1 6  5  67 o 39.438  1.6220 12.224   1.0028  12.763   1.5031  11.792   1.3462  40.164  2.3982 38.626  2.2327 1.538273       3.276620 
1 1 1 6  5  68 o 36.790  1.5998 10.639   0.9227  9.2850   1.4212  11.626   1.2132  34.182  2.6735 38.374  2.0238 -4.191772      3.353112 
1 1 1 6  5  69 o 69.347  1.4271 37.787   1.5515  39.129   2.0131  35.822   2.4349  70.514  1.8211 67.389  2.3048 3.125473       2.937424 
1 1 1 6  5  70 o 30.265  2.1564 7.2594   1.0164  8.6714   1.2921  4.9677   1.6461  33.030  2.5143 24.505  4.4489 8.525167       5.110202 
1 1 1 6  5  71 o 44.984  1.9613 15.950   1.3831  14.945   1.9400  16.988   1.9723  43.314  2.8733 46.226  2.7339 -2.911221      3.966081 
1 1 1 6  5  72 o 40.119  2.4004 12.777   1.5028  15.987   2.5714  11.112   1.8520  44.525  3.7179 37.215  3.2057 7.310669       4.909081 
1 1 1 6  5  73 o 37.209  2.4762 11.017   1.4361  13.051   2.4664  9.9738   1.7665  40.064  3.9796 35.204  3.2371 4.859829       5.129956 
1 1 1 6  5  74 o 38.218  2.6840 11.666   1.5979  10.601   2.4540  12.450   2.1054  35.834  4.4653 39.252  3.4567 -3.418106      5.646931 
1 1 1 6  5  75 o 34.085  2.9511 9.3455   1.5613  9.4491   2.4368  9.2734   2.0335  33.614  4.7571 33.625  3.9320 -0.1102829E-01 6.171784 
1 1 1 6  5  76 o 49.342  2.6212 19.453   2.0203  15.549   2.8202  23.569   2.8954  43.447  4.1927 53.966  3.4404 -10.51835      5.423564 
1 1 1 6  5  77 f 34.624  3.6467 9.8202   1.9496  10.367   2.5369  9.0311   3.0471  35.090  4.7324 31.887  6.3190 3.203657       7.894603 
1 1 1 6  5  78 o 57.183  2.6845 26.150   2.4065  23.615   2.9948  30.770   4.0427  53.826  3.5694 60.994  4.2546 -7.168137      5.553621 
1 1 1 6  5  79 o 40.371  3.6266 13.368   2.2708  14.903   3.4516  12.197   3.0152  41.564  5.4268 37.662  5.2496 3.901649       7.550410 
1 1 1 6  5  80 o 15.436  6.5537 0.7614   2.7606  0.7614   2.7606  0.0000   0.0000  15.436  6.5537 ?       ?      0.000000       6.553656 
1 1 1 6  5  81 o 39.825  5.0330 13.614   3.0720  0.0000   0.0000  13.614   3.0720  ?       ?      39.825  5.0330 0.000000       5.032980 
1 1 1 6  5  82 o 12.206  4.8718 0.7857   1.4056  -4.0573  2.5114  2.9948   1.6962  9.9881  4.8776 18.377  5.4765 -8.389081      7.333670 
1 1 1 6  5  83 o 40.007  4.3084 13.545   2.6595  0.0000   0.0000  13.545   2.6595  ?       ?      40.007  4.3084 0.000000       4.308442 
1 1 1 6  5  84 o 20.252  7.9743 3.6154   3.7189  0.0000   0.0000  3.6154   3.7189  ?       ?      20.252  7.9743 0.000000       7.974251 
1 1 1 6  5  85 o 9.9913  5.0103 -8.1875  3.3894  0.0000   0.0000  -8.1875  3.3894  ?       ?      9.9913  5.0103 0.000000       5.010255 
1 1 1 6  6  0  o 1177.01 13.933 10873.91 257.003 10873.91 257.003 10873.91 257.003 1177.01 13.933 1177.01 13.933 -0.000000      0.000000 
1 1 1 6  6  1  o 512.852 4.3950 2062.46  35.329  2062.46  35.329  2062.46  35.329  512.852 4.3950 512.852 4.3950 0.000000       0.000000 
1 1 1 6  6  2  o 936.964 7.8622 6886.97  115.466 6886.97  115.466 6886.97  115.466 936.964 7.8622 936.964 7.8622 0.000000       0.000000 
1 1 1 6  6  3  o 1189.52 9.9496 11104.23 185.509 11104.23 185.509 11104.23 185.509 1189.52 9.9496 1189.52 9.9496 0.000000       0.000000 
1 1 1 6  6  4  o 38.348  2.2560 11.647   1.3455  11.647   1.3455  11.647   1.3455  38.348  2.2560 38.348  2.2560 0.000000       0.000000 
1 1 1 6  6  5  o 61.840  1.6486 30.040   1.5956  30.040   1.5956  30.040   1.5956  61.840  1.6486 61.840  1.6486 0.000000       0.000000 
1 1 1 6  6  6  o 106.452 1.5549 88.883   2.5936  88.883   2.5936  88.883   2.5936  106.452 1.5549 106.452 1.5549 -0.000000      0.000000 
1 1 1 6  6  7  o 657.951 5.5712 3395.01  57.455  3395.01  57.455  3395.01  57.455  657.951 5.5712 657.951 5.5712 -0.000000      0.000000 
1 1 1 6  6  8  o 1202.75 10.058 11353.05 189.614 11353.05 189.614 11353.05 189.614 1202.75 10.058 1202.75 10.058 0.000000       0.000000 
1 1 1 6  6  9  o 154.387 1.7374 186.907  4.2038  186.907  4.2038  186.907  4.2038  154.387 1.7374 154.387 1.7374 0.000000       0.000000 
1 1 1 6  6  10 o 447.713 3.8728 1571.77  27.177  1571.77  27.177  1571.77  27.177  447.713 3.8728 447.713 3.8728 -0.000000      0.000000 
1 1 1 6  6  11 o 271.106 2.5094 576.291  10.663  576.291  10.663  576.291  10.663  271.106 2.5094 271.106 2.5094 -0.000000      0.000000 
1 1 1 6  6  12 o 186.712 2.1008 273.372  6.1475  273.372  6.1475  273.372  6.1475  186.712 2.1008 186.712 2.1008 -0.000000      0.000000 
1 1 1 6  6  13 o 917.129 7.6931 6598.73  110.590 6598.73  110.590 6598.73  110.590 917.129 7.6931 917.129 7.6931 0.000000       0.000000 
1 1 1 6  6  14 f 465.333 4.0136 1697.96  29.274  1697.96  29.274  1697.96  29.274  465.333 4.0136 465.333 4.0136 -0.000000      0.000000 
1 1 1 6  6  15 o 47.215  1.9760 17.566   1.4568  17.566   1.4568  17.566   1.4568  47.215  1.9760 47.215  1.9760 -0.000000      0.000000 
1 1 1 6  6  16 o 381.880 3.3550 1143.50  20.081  1143.50  20.081  1143.50  20.081  381.880 3.3550 381.880 3.3550 -0.000000      0.000000 
1 1 1 6  6  17 f 174.894 1.8642 239.850  5.1099  239.850  5.1099  239.850  5.1099  174.894 1.8642 174.894 1.8642 0.000000       0.000000 
1 1 1 6  6  18 o 130.761 1.6388 134.092  3.3582  134.092  3.3582  134.092  3.3582  130.761 1.6388 130.761 1.6388 0.000000       0.000000 
1 1 1 6  6  19 o 305.948 2.7756 733.957  13.310  733.957  13.310  733.957  13.310  305.948 2.7756 305.948 2.7756 0.000000       0.000000 
1 1 1 6  6  20 o 106.825 1.7450 89.524   2.9205  89.524   2.9205  89.524   2.9205  106.825 1.7450 106.825 1.7450 0.000000       0.000000 
1 1 1 6  6  21 o 330.931 2.9632 858.732  15.370  858.732  15.370  858.732  15.370  330.931 2.9632 330.931 2.9632 -0.000000      0.000000 
1 1 1 6  6  22 o 175.285 1.8728 240.927  5.1450  240.927  5.1450  240.927  5.1450  175.285 1.8728 175.285 1.8728 0.000000       0.000000 
1 1 1 6  6  23 o 238.602 2.2835 446.404  8.5395  446.404  8.5395  446.404  8.5395  238.602 2.2835 238.602 2.2835 -0.000000      0.000000 
1 1 1 6  6  24 o 213.584 2.3230 357.731  7.7760  357.731  7.7760  357.731  7.7760  213.584 2.3230 213.584 2.3230 -0.000000      0.000000 
1 1 1 6  6  25 o 422.048 5.2058 1397.54  34.431  1397.54  34.431  1397.54  34.431  422.048 5.2058 422.048 5.2058 0.000000       0.000000 
1 1 1 6  6  26 o 12.319  6.1256 1.7501   1.4329  1.7501   1.4329  1.7501   1.4329  12.319  6.1256 12.319  6.1256 -0.000000      0.000000 
1 1 1 6  6  27 o 61.533  2.1387 29.788   2.0574  29.788   2.0574  29.788   2.0574  61.533  2.1387 61.533  2.1387 -0.000000      0.000000 
1 1 1 6  6  28 o 140.866 2.4343 155.700  5.3721  155.700  5.3721  155.700  5.3721  140.866 2.4343 140.866 2.4343 -0.000000      0.000000 
1 1 1 6  6  29 o 75.264  1.9827 44.499   2.3357  44.499   2.3357  44.499   2.3357  75.264  1.9827 75.264  1.9827 0.000000       0.000000 
1 1 1 6  6  30 o 54.175  2.0098 23.103   1.7016  23.103   1.7016  23.103   1.7016  54.175  2.0098 54.175  2.0098 0.000000       0.000000 
1 1 1 6  6  31 o 10.318  5.2962 1.2208   1.0897  1.2208   1.0897  1.2208   1.0897  10.318  5.2962 10.318  5.2962 -0.000000      0.000000 
1 1 1 6  6  32 f 385.167 3.3880 1163.60  20.453  1163.60  20.453  1163.60  20.453  385.167 3.3880 385.167 3.3880 -0.000000      0.000000 
1 1 1 6  6  33 o 153.958 1.7585 185.888  4.2430  185.888  4.2430  185.888  4.2430  153.958 1.7585 153.958 1.7585 -0.000000      0.000000 
1 1 1 6  6  34 o 375.048 3.3089 1103.30  19.451  1103.30  19.451  1103.30  19.451  375.048 3.3089 375.048 3.3089 -0.000000      0.000000 
1 1 1 6  6  35 o 254.574 2.4024 508.251  9.5857  508.251  9.5857  508.251  9.5857  254.574 2.4024 254.574 2.4024 -0.000000      0.000000 
1 1 1 6  6  36 o 62.643  1.8927 30.848   1.8548  30.848   1.8548  30.848   1.8548  62.643  1.8927 62.643  1.8927 0.000000       0.000000 
1 1 1 6  6  37 o 402.235 3.8701 1269.45  24.399  1269.45  24.399  1269.45  24.399  402.235 3.8701 402.235 3.8701 -0.000000      0.000000 
1 1 1 6  6  38 o 203.301 2.2720 324.174  7.2391  324.174  7.2391  324.174  7.2391  203.301 2.2720 203.301 2.2720 0.000000       0.000000 
1 1 1 6  6  39 o 84.831  1.7687 56.490   2.3499  56.490   2.3499  56.490   2.3499  84.831  1.7687 84.831  1.7687 0.000000       0.000000 
1 1 1 6  6  40 o 7.5709  4.8613 0.0265   1.3137  0.0265   1.3137  0.0265   1.3137  7.5709  4.8613 7.5709  4.8613 -0.000000      0.000000 
1 1 1 6  6  41 o 225.537 2.4312 398.986  8.5938  398.986  8.5938  398.986  8.5938  225.537 2.4312 225.537 2.4312 0.000000       0.000000 
1 1 1 6  6  42 o 286.455 2.9043 643.716  13.039  643.716  13.039  643.716  13.039  286.455 2.9043 286.455 2.9043 -0.000000      0.000000 
1 1 1 6  6  43 o 248.916 2.3665 485.965  9.2324  485.965  9.2324  485.965  9.2324  248.916 2.3665 248.916 2.3665 0.000000       0.000000 
1 1 1 6  6  44 o 13.431  5.6370 1.9994   1.1927  1.9994   1.1927  1.9994   1.1927  13.431  5.6370 13.431  5.6370 0.000000       0.000000 
1 1 1 6  6  45 o 155.914 1.8999 190.681  4.6423  190.681  4.6423  190.681  4.6423  155.914 1.8999 155.914 1.8999 -0.000000      0.000000 
1 1 1 6  6  46 o 10.114  5.3913 1.1512   1.1612  1.1512   1.1612  1.1512   1.1612  10.114  5.3913 10.114  5.3913 -0.000000      0.000000 
1 1 1 6  6  47 o 214.889 2.2963 362.249  7.7337  362.249  7.7337  362.249  7.7337  214.889 2.2963 214.889 2.2963 0.000000       0.000000 
1 1 1 6  6  48 o 143.240 1.8101 160.956  4.0633  160.956  4.0633  160.956  4.0633  143.240 1.8101 143.240 1.8101 0.000000       0.000000 
1 1 1 6  6  49 f 230.965 2.4230 418.553  8.7708  418.553  8.7708  418.553  8.7708  230.965 2.4230 230.965 2.4230 0.000000       0.000000 
1 1 1 6  6  50 o 179.398 2.3534 252.579  6.6162  252.579  6.6162  252.579  6.6162  179.398 2.3534 179.398 2.3534 -0.000000      0.000000 
1 1 1 6  6  51 o 65.585  2.0463 33.835   2.0993  33.835   2.0993  33.835   2.0993  65.585  2.0463 65.585  2.0463 -0.000000      0.000000 
1 1 1 6  6  52 o 12.596  5.8962 1.8285   1.3019  1.8285   1.3019  1.8285   1.3019  12.596  5.8962 12.596  5.8962 -0.000000      0.000000 
1 1 1 6  6  53 o 51.137  2.0952 20.619   1.6733  20.619   1.6733  20.619   1.6733  51.137  2.0952 51.137  2.0952 -0.000000      0.000000 
1 1 1 6  6  54 o 159.755 2.0156 200.335  5.0462  200.335  5.0462  200.335  5.0462  159.755 2.0156 159.755 2.0156 0.000000       0.000000 
1 1 1 6  6  55 o 149.450 1.9609 175.342  4.5924  175.342  4.5924  175.342  4.5924  149.450 1.9609 149.450 1.9609 -0.000000      0.000000 
1 1 1 6  6  56 o 56.016  2.2521 24.752   1.9704  24.752   1.9704  24.752   1.9704  56.016  2.2521 56.016  2.2521 -0.000000      0.000000 
1 1 1 6  6  57 o 130.508 1.8687 133.747  3.8216  133.747  3.8216  133.747  3.8216  130.508 1.8687 130.508 1.8687 -0.000000      0.000000 
1 1 1 6  6  58 o 177.086 1.9452 246.247  5.3988  246.247  5.3988  246.247  5.3988  177.086 1.9452 177.086 1.9452 0.000000       0.000000 
1 1 1 6  6  59 o 52.942  1.9845 22.098   1.6418  22.098   1.6418  22.098   1.6418  52.942  1.9845 52.942  1.9845 0.000000       0.000000 
1 1 1 6  6  60 o 33.746  2.3697 9.0800   1.2394  9.0800   1.2394  9.0800   1.2394  33.746  2.3697 33.746  2.3697 -0.000000      0.000000 
1 1 1 6  6  61 o 77.184  3.4154 47.240   4.1141  47.240   4.1141  47.240   4.1141  77.184  3.4154 77.184  3.4154 0.000000       0.000000 
1 1 1 6  6  62 o 6.1091  4.3543 -2.6332  1.8412  -2.6332  1.8412  -2.6332  1.8412  6.1091  4.3543 6.1091  4.3543 0.000000       0.000000 
1 1 1 6  6  63 o 11.152  6.0732 1.4078   1.5031  1.4078   1.5031  1.4078   1.5031  11.152  6.0732 11.152  6.0732 0.000000       0.000000 
1 1 1 6  6  64 o 15.666  6.6736 2.7874   1.6676  2.7874   1.6676  2.7874   1.6676  15.666  6.6736 15.666  6.6736 0.000000       0.000000 
1 1 1 6  6  65 o 32.285  3.4863 8.5158   1.7124  8.5158   1.7124  8.5158   1.7124  32.285  3.4863 32.285  3.4863 -0.000000      0.000000 
1 1 1 6  6  66 o 17.524  6.0855 3.1959   1.5094  3.1959   1.5094  3.1959   1.5094  17.524  6.0855 17.524  6.0855 0.000000       0.000000 
1 1 1 6  6  67 o 80.978  2.0829 51.682   2.6401  51.682   2.6401  51.682   2.6401  80.978  2.0829 80.978  2.0829 -0.000000      0.000000 
1 1 1 6  6  68 o 21.092  5.0657 4.0955   1.4527  4.0955   1.4527  4.0955   1.4527  21.092  5.0657 21.092  5.0657 0.000000       0.000000 
1 1 1 6  6  69 o 48.914  2.3495 18.986   1.7921  18.986   1.7921  18.986   1.7921  48.914  2.3495 48.914  2.3495 0.000000       0.000000 
1 1 1 6  6  70 o 48.712  2.3367 18.840   1.7750  18.840   1.7750  18.840   1.7750  48.712  2.3367 48.712  2.3367 0.000000       0.000000 
1 1 1 6  6  71 o 72.088  2.0017 41.032   2.2582  41.032   2.2582  41.032   2.2582  72.088  2.0017 72.088  2.0017 0.000000       0.000000 
1 1 1 6  6  72 o 7.7565  5.2420 -0.7585  1.8675  -0.7585  1.8675  -0.7585  1.8675  7.7565  5.2420 7.7565  5.2420 -0.000000      0.000000 
1 1 1 6  6  73 o 9.8968  6.0837 0.7603   1.8283  0.7603   1.8283  0.7603   1.8283  9.8968  6.0837 9.8968  6.0837 0.000000       0.000000 
1 1 1 6  6  74 o 35.713  3.4879 10.487   1.9100  10.487   1.9100  10.487   1.9100  35.713  3.4879 35.713  3.4879 0.000000       0.000000 
1 1 1 6  6  75 o 38.273  4.6362 12.434   2.6732  12.434   2.6732  12.434   2.6732  38.273  4.6362 38.273  4.6362 0.000000       0.000000 
1 1 1 6  6  76 o 5.9979  4.3461 -4.1280  2.2006  -4.1280  2.2006  -4.1280  2.2006  5.9979  4.3461 5.9979  4.3461 0.000000       0.000000 
1 1 1 6  6  77 f 9.7472  6.2941 0.3222   2.2432  0.3222   2.2432  0.3222   2.2432  9.7472  6.2941 9.7472  6.2941 -0.000000      0.000000 
1 1 1 6  6  78 o 53.841  3.8899 23.948   3.2439  23.948   3.2439  23.948   3.2439  53.841  3.8899 53.841  3.8899 -0.000000      0.000000 
1 1 1 6  6  79 o 46.778  4.1539 18.342   2.9909  18.342   2.9909  18.342   2.9909  46.778  4.1539 46.778  4.1539 0.000000       0.000000 
1 1 1 6  6  80 o 10.245  6.5389 0.6601   2.3333  0.6601   2.3333  0.6601   2.3333  10.245  6.5389 10.245  6.5389 -0.000000      0.000000 
1 1 1 6  6  81 o 8.4776  5.7873 -0.9151  2.3969  -0.9151  2.3969  -0.9151  2.3969  8.4776  5.7873 8.4776  5.7873 -0.000000      0.000000 
1 1 1 6  6  82 o 19.338  8.1942 4.8515   2.5164  4.8515   2.5164  4.8515   2.5164  19.338  8.1942 19.338  8.1942 0.000000       0.000000 
1 1 1 6  6  83 o 13.418  7.5511 2.5837   2.4135  2.5837   2.4135  2.5837   2.4135  13.418  7.5511 13.418  7.5511 -0.000000      0.000000 
1 1 1 6  6  84 f 23.296  10.338 8.3328   3.9875  8.3328   3.9875  8.3328   3.9875  23.296  10.338 23.296  10.338 0.000000       0.000000 
1 1 1 7  0  0  o 31.397  2.5753 7.8821   1.2480  7.8821   1.2480  7.8821   1.2480  31.397  2.5753 31.397  2.5753 -0.000000      0.000000 
1 1 1 7  0  1  o 410.622 3.8791 1322.19  24.965  1322.19  24.965  1322.19  24.965  410.622 3.8791 410.622 3.8791 0.000000       0.000000 
1 1 1 7  0  2  o 107.025 1.5124 89.839   2.5364  89.839   2.5364  89.839   2.5364  107.025 1.5124 107.025 1.5124 0.000000       0.000000 
1 1 1 7  0  3  o 100.558 1.4897 79.315   2.3473  79.315   2.3473  79.315   2.3473  100.558 1.4897 100.558 1.4897 -0.000000      0.000000 
1 1 1 7  0  4  o 57.113  1.6529 25.632   1.4771  25.632   1.4771  25.632   1.4771  57.113  1.6529 57.113  1.6529 -0.000000      0.000000 
1 1 1 7  0  5  o 978.195 10.022 7510.54  153.652 7510.54  153.652 7510.54  153.652 978.195 10.022 978.195 10.022 -0.000000      0.000000 
1 1 1 7  0  6  o 463.200 4.8495 1682.72  35.206  1682.72  35.206  1682.72  35.206  463.200 4.8495 463.200 4.8495 0.000000       0.000000 
1 1 1 7  0  7  o 129.098 1.8130 130.717  3.6675  130.717  3.6675  130.717  3.6675  129.098 1.8130 129.098 1.8130 0.000000       0.000000 
1 1 1 7  0  8  o 156.189 2.0093 191.320  4.9179  191.320  4.9179  191.320  4.9179  156.189 2.0093 156.189 2.0093 0.000000       0.000000 
1 1 1 7  0  9  o 137.820 2.1375 148.999  4.6156  148.999  4.6156  148.999  4.6156  137.820 2.1375 137.820 2.1375 0.000000       0.000000 
1 1 1 7  0  10 o 88.078  1.8310 60.889   2.5257  60.889   2.5257  60.889   2.5257  88.078  1.8310 88.078  1.8310 -0.000000      0.000000 
1 1 1 7  0  11 o 386.455 4.7170 1171.41  28.567  1171.41  28.567  1171.41  28.567  386.455 4.7170 386.455 4.7170 -0.000000      0.000000 
1 1 1 7  0  12 o 107.433 1.6873 90.539   2.8401  90.539   2.8401  90.539   2.8401  107.433 1.6873 107.433 1.6873 -0.000000      0.000000 
1 1 1 7  0  13 o 170.932 2.1097 229.134  5.6514  229.134  5.6514  229.134  5.6514  170.932 2.1097 170.932 2.1097 -0.000000      0.000000 
1 1 1 7  0  14 o 455.529 4.7755 1627.40  34.094  1627.40  34.094  1627.40  34.094  455.529 4.7755 455.529 4.7755 -0.000000      0.000000 
1 1 1 7  0  15 o 22.155  3.0086 4.0551   0.9905  4.0551   0.9905  4.0551   0.9905  22.155  3.0086 22.155  3.0086 0.000000       0.000000 
1 1 1 7  0  16 o 294.370 2.8775 679.470  13.276  679.470  13.276  679.470  13.276  294.370 2.8775 294.370 2.8775 0.000000       0.000000 
1 1 1 7  0  17 o 152.695 2.0114 182.860  4.8130  182.860  4.8130  182.860  4.8130  152.695 2.0114 152.695 2.0114 0.000000       0.000000 
1 1 1 7  0  18 o 912.157 8.3634 6527.84  119.570 6527.84  119.570 6527.84  119.570 912.157 8.3634 912.157 8.3634 0.000000       0.000000 
1 1 1 7  0  19 o 210.031 2.4572 345.934  8.0881  345.934  8.0881  345.934  8.0881  210.031 2.4572 210.031 2.4572 0.000000       0.000000 
1 1 1 7  0  20 o 42.882  2.4069 14.550   1.6064  14.550   1.6064  14.550   1.6064  42.882  2.4069 42.882  2.4069 0.000000       0.000000 
1 1 1 7  0  21 o 318.805 3.4514 797.042  17.245  797.042  17.245  797.042  17.245  318.805 3.4514 318.805 3.4514 0.000000       0.000000 
1 1 1 7  0  22 o 858.713 8.8196 5786.49  118.698 5786.49  118.698 5786.49  118.698 858.713 8.8196 858.713 8.8196 0.000000       0.000000 
1 1 1 7  0  23 o 15.781  5.0607 2.4711   1.1043  2.4711   1.1043  2.4711   1.1043  15.781  5.0607 15.781  5.0607 0.000000       0.000000 
1 1 1 7  0  24 o 432.591 4.5535 1467.66  30.872  1467.66  30.872  1467.66  30.872  432.591 4.5535 432.591 4.5535 0.000000       0.000000 
1 1 1 7  0  25 o 226.812 2.9768 403.483  10.580  403.483  10.580  403.483  10.580  226.812 2.9768 226.812 2.9768 -0.000000      0.000000 
1 1 1 7  0  26 o 641.879 5.9324 3231.69  59.683  3231.69  59.683  3231.69  59.683  641.879 5.9324 641.879 5.9324 -0.000000      0.000000 
1 1 1 7  0  27 o 397.374 3.7719 1238.29  23.493  1238.29  23.493  1238.29  23.493  397.374 3.7719 397.374 3.7719 -0.000000      0.000000 
1 1 1 7  0  28 o 181.814 2.2072 259.239  6.2890  259.239  6.2890  259.239  6.2890  181.814 2.2072 181.814 2.2072 -0.000000      0.000000 
1 1 1 7  0  29 o 165.121 1.8742 213.805  4.8499  213.805  4.8499  213.805  4.8499  165.121 1.8742 165.121 1.8742 0.000000       0.000000 
1 1 1 7  0  30 o 388.180 3.6870 1181.69  22.432  1181.69  22.432  1181.69  22.432  388.180 3.6870 388.180 3.6870 -0.000000      0.000000 
1 1 1 7  0  31 o 130.130 1.6596 132.805  3.3844  132.805  3.3844  132.805  3.3844  130.130 1.6596 130.130 1.6596 -0.000000      0.000000 
1 1 1 7  0  32 o 200.529 1.9574 315.307  6.1519  315.307  6.1519  315.307  6.1519  200.529 1.9574 200.529 1.9574 -0.000000      0.000000 
1 1 1 7  0  33 o 220.176 2.2974 380.152  7.9277  380.152  7.9277  380.152  7.9277  220.176 2.2974 220.176 2.2974 0.000000       0.000000 
1 1 1 7  0  34 o 220.171 2.6070 380.188  8.9953  380.188  8.9953  380.188  8.9953  220.171 2.6070 220.171 2.6070 0.000000       0.000000 
1 1 1 7  0  35 o 177.228 2.0111 246.322  5.5858  246.322  5.5858  246.322  5.5858  177.228 2.0111 177.228 2.0111 -0.000000      0.000000 
1 1 1 7  0  36 o 44.971  1.7949 15.929   1.2608  15.929   1.2608  15.929   1.2608  44.971  1.7949 44.971  1.7949 0.000000       0.000000 
1 1 1 7  0  37 o 80.712  1.5759 51.126   1.9923  51.126   1.9923  51.126   1.9923  80.712  1.5759 80.712  1.5759 0.000000       0.000000 
1 1 1 7  0  38 o 469.848 4.4281 1732.10  32.609  1732.10  32.609  1732.10  32.609  469.848 4.4281 469.848 4.4281 0.000000       0.000000 
1 1 1 7  0  39 o 266.920 2.6986 558.789  11.290  558.789  11.290  558.789  11.290  266.920 2.6986 266.920 2.6986 -0.000000      0.000000 
1 1 1 7  0  40 f 129.234 1.7483 131.001  3.5405  131.001  3.5405  131.001  3.5405  129.234 1.7483 129.234 1.7483 -0.000000      0.000000 
1 1 1 7  0  41 o 324.731 3.1816 827.181  16.193  827.181  16.193  827.181  16.193  324.731 3.1816 324.731 3.1816 -0.000000      0.000000 
1 1 1 7  0  42 o 174.011 2.0048 237.483  5.4672  237.483  5.4672  237.483  5.4672  174.011 2.0048 174.011 2.0048 0.000000       0.000000 
1 1 1 7  0  43 o 84.176  1.6198 55.608   2.1356  55.608   2.1356  55.608   2.1356  84.176  1.6198 84.176  1.6198 0.000000       0.000000 
1 1 1 7  0  44 o 117.405 1.8653 108.145  3.4312  108.145  3.4312  108.145  3.4312  117.405 1.8653 117.405 1.8653 0.000000       0.000000 
1 1 1 7  0  45 o 362.852 3.5078 1033.02  19.949  1033.02  19.949  1033.02  19.949  362.852 3.5078 362.852 3.5078 0.000000       0.000000 
1 1 1 7  0  46 o 45.431  1.6097 16.241   1.1432  16.241   1.1432  16.241   1.1432  45.431  1.6097 45.431  1.6097 -0.000000      0.000000 
1 1 1 7  0  47 o 61.482  1.4065 29.679   1.3540  29.679   1.3540  29.679   1.3540  61.482  1.4065 61.482  1.4065 -0.000000      0.000000 
1 1 1 7  0  48 o 169.920 2.3271 226.527  6.1962  226.527  6.1962  226.527  6.1962  169.920 2.3271 169.920 2.3271 0.000000       0.000000 
1 1 1 7  0  49 o 22.823  5.6859 4.7759   1.7602  4.7759   1.7602  4.7759   1.7602  22.823  5.6859 22.823  5.6859 0.000000       0.000000 
1 1 1 7  0  50 o 469.131 4.9858 1729.28  36.659  1729.28  36.659  1729.28  36.659  469.131 4.9858 469.131 4.9858 -0.000000      0.000000 
1 1 1 7  0  51 o 210.647 3.0039 348.310  9.9151  348.310  9.9151  348.310  9.9151  210.647 3.0039 210.647 3.0039 -0.000000      0.000000 
1 1 1 7  0  52 o 53.346  2.2757 22.440   1.8953  22.440   1.8953  22.440   1.8953  53.346  2.2757 53.346  2.2757 -0.000000      0.000000 
1 1 1 7  0  53 o 99.496  1.9250 77.717   3.0000  77.717   3.0000  77.717   3.0000  99.496  1.9250 99.496  1.9250 0.000000       0.000000 
1 1 1 7  0  54 o 13.570  5.7784 2.0561   1.2503  2.0561   1.2503  2.0561   1.2503  13.570  5.7784 13.570  5.7784 0.000000       0.000000 
1 1 1 7  0  55 o 276.698 2.7903 601.066  12.101  601.066  12.101  601.066  12.101  276.698 2.7903 276.698 2.7903 -0.000000      0.000000 
1 1 1 7  0  56 o 21.477  3.8828 3.9595   1.1804  3.9595   1.1804  3.9595   1.1804  21.477  3.8828 21.477  3.8828 -0.000000      0.000000 
1 1 1 7  0  57 o 158.796 1.9144 197.902  4.7642  197.902  4.7642  197.902  4.7642  158.796 1.9144 158.796 1.9144 0.000000       0.000000 
1 1 1 7  0  58 o 61.020  1.7081 29.276   1.6311  29.276   1.6311  29.276   1.6311  61.020  1.7081 61.020  1.7081 0.000000       0.000000 
1 1 1 7  0  59 o 49.791  2.0042 19.550   1.5586  19.550   1.5586  19.550   1.5586  49.791  2.0042 49.791  2.0042 0.000000       0.000000 
1 1 1 7  0  60 o 135.110 2.9656 143.717  6.2745  143.717  6.2745  143.717  6.2745  135.110 2.9656 135.110 2.9656 -0.000000      0.000000 
1 1 1 7  0  61 o 24.765  3.0654 5.0398   1.1411  5.0398   1.1411  5.0398   1.1411  24.765  3.0654 24.765  3.0654 0.000000       0.000000 
1 1 1 7  0  62 o 22.327  3.2928 4.1698   1.0789  4.1698   1.0789  4.1698   1.0789  22.327  3.2928 22.327  3.2928 0.000000       0.000000 
1 1 1 7  0  63 o 57.729  1.8555 26.244   1.6753  26.244   1.6753  26.244   1.6753  57.729  1.8555 57.729  1.8555 0.000000       0.000000 
1 1 1 7  0  64 o 14.274  4.7302 2.0609   0.9415  2.0609   0.9415  2.0609   0.9415  14.274  4.7302 14.274  4.7302 0.000000       0.000000 
1 1 1 7  0  65 o 45.554  1.5723 16.346   1.1198  16.346   1.1198  16.346   1.1198  45.554  1.5723 45.554  1.5723 0.000000       0.000000 
1 1 1 7  0  66 o 56.356  1.6408 24.997   1.4468  24.997   1.4468  24.997   1.4468  56.356  1.6408 56.356  1.6408 -0.000000      0.000000 
1 1 1 7  0  67 o 43.208  2.6968 14.871   1.8104  14.871   1.8104  14.871   1.8104  43.208  2.6968 43.208  2.6968 0.000000       0.000000 
1 1 1 7  0  68 o 30.945  4.3811 8.0338   2.0025  8.0338   2.0025  8.0338   2.0025  30.945  4.3811 30.945  4.3811 0.000000       0.000000 
1 1 1 7  0  69 o 83.156  2.6874 54.668   3.4950  54.668   3.4950  54.668   3.4950  83.156  2.6874 83.156  2.6874 -0.000000      0.000000 
1 1 1 7  0  70 o 113.571 2.7725 101.935  4.9295  101.935  4.9295  101.935  4.9295  113.571 2.7725 113.571 2.7725 -0.000000      0.000000 
1 1 1 7  0  71 o 10.723  6.3548 1.0847   1.8505  1.0847   1.8505  1.0847   1.8505  10.723  6.3548 10.723  6.3548 0.000000       0.000000 
1 1 1 7  0  72 o 37.879  3.8036 11.746   2.2064  11.746   2.2064  11.746   2.2064  37.879  3.8036 37.879  3.8036 -0.000000      0.000000 
1 1 1 7  0  73 o 50.201  3.3032 20.258   2.5737  20.258   2.5737  20.258   2.5737  50.201  3.3032 50.201  3.3032 0.000000       0.000000 
1 1 1 7  0  74 o 24.018  6.1277 5.4833   1.9947  5.4833   1.9947  5.4833   1.9947  24.018  6.1277 24.018  6.1277 0.000000       0.000000 
1 1 1 7  0  75 o 26.333  5.5100 6.2883   2.0041  6.2883   2.0041  6.2883   2.0041  26.333  5.5100 26.333  5.5100 -0.000000      0.000000 
1 1 1 7  0  76 o 17.725  7.1897 3.6349   1.9569  3.6349   1.9569  3.6349   1.9569  17.725  7.1897 17.725  7.1897 0.000000       0.000000 
1 1 1 7  0  77 o 13.215  7.0079 2.1995   1.9531  2.1995   1.9531  2.1995   1.9531  13.215  7.0079 13.215  7.0079 0.000000       0.000000 
1 1 1 7  0  78 o 55.418  3.0487 24.761   2.6303  24.761   2.6303  24.761   2.6303  55.418  3.0487 55.418  3.0487 0.000000       0.000000 
1 1 1 7  0  79 o 7.8029  5.2802 -0.6931  1.9067  -0.6931  1.9067  -0.6931  1.9067  7.8029  5.2802 7.8029  5.2802 0.000000       0.000000 
1 1 1 7  0  80 o 38.719  3.8810 12.530   2.3014  12.530   2.3014  12.530   2.3014  38.719  3.8810 38.719  3.8810 -0.000000      0.000000 
1 1 1 7  0  81 o 20.277  7.0802 4.5748   2.0363  4.5748   2.0363  4.5748   2.0363  20.277  7.0802 20.277  7.0802 0.000000       0.000000 
1 1 1 7  0  82 o 9.3012  6.3884 -1.3115  3.0219  -1.3115  3.0219  -1.3115  3.0219  9.3012  6.3884 9.3012  6.3884 0.000000       0.000000 
1 1 1 7  0  83 o 50.006  3.0877 20.391   2.3994  20.391   2.3994  20.391   2.3994  50.006  3.0877 50.006  3.0877 -0.000000      0.000000 
1 1 1 7  0  84 o 42.069  3.4080 14.673   2.2137  14.673   2.2137  14.673   2.2137  42.069  3.4080 42.069  3.4080 -0.000000      0.000000 
1 1 1 7  0  85 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 7  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 7  1  0  o 413.902 5.0528 1343.78  32.775  1343.78  32.775  1343.78  32.775  413.902 5.0528 413.902 5.0528 -0.000000      0.000000 
1 1 1 7  1  1  o 415.331 3.5870 1352.48  23.355  1343.48  32.796  1361.73  33.266  413.892 5.0546 416.692 5.0925 -2.799927      7.175112 
1 1 1 7  1  2  o 352.010 3.0878 971.454  17.040  1031.29  25.527  923.365  22.885  362.648 4.4901 343.156 4.2540 19.49219       6.185232 
1 1 1 7  1  3  o 148.967 1.9664 173.956  4.5921  179.663  6.6476  168.746  6.3510  151.385 2.8011 146.713 2.7613 4.671402       3.933325 
1 1 1 7  1  4  o 310.475 3.3708 755.753  16.406  737.395  22.639  776.056  23.809  306.647 4.7095 314.579 4.8279 -7.932190      6.744455 
1 1 1 7  1  5  o 544.914 5.0681 2328.68  43.294  2345.07  56.333  2305.04  67.667  546.729 6.5725 541.930 7.9649 4.799316       10.32658 
1 1 1 7  1  6  o 75.250  1.2407 44.387   1.4636  44.912   1.9310  43.677   2.2438  75.694  1.6273 74.644  1.9175 1.049362       2.514963 
1 1 1 7  1  7  o 305.684 2.7196 732.542  13.033  726.986  18.312  738.246  18.553  304.500 3.8360 306.848 3.8569 -2.348602      5.439717 
1 1 1 7  1  8  o 374.912 3.0199 1101.95  17.749  1086.59  23.155  1123.83  27.639  372.266 3.9677 378.568 4.6572 -6.302490      6.118149 
1 1 1 7  1  9  f 211.442 1.7512 350.455  5.8047  355.904  7.4559  342.071  9.2490  213.075 2.2321 208.887 2.8244 4.188095       3.599947 
1 1 1 7  1  10 o 189.537 1.4503 281.599  4.3093  282.735  5.5795  279.918  6.7843  189.917 1.8740 188.965 2.2902 0.9516754      2.959205 
1 1 1 7  1  11 o 245.861 1.7592 473.836  6.7805  474.445  8.7585  472.925  10.712  246.014 2.2710 245.613 2.7820 0.4006805      3.591265 
1 1 1 7  1  12 o 458.195 3.0407 1645.90  21.841  1650.19  28.269  1639.53  34.402  458.766 3.9307 457.247 4.7993 1.518341       6.203569 
1 1 1 7  1  13 o 390.600 2.6243 1196.04  16.070  1217.91  21.127  1166.03  24.753  394.137 3.4193 385.631 4.0945 8.505188       5.334478 
1 1 1 7  1  14 o 253.953 1.9064 505.545  7.5898  506.409  10.193  504.471  11.370  254.162 2.5582 253.672 2.8593 0.4907227      3.836632 
1 1 1 7  1  15 o 493.527 3.4411 1909.61  26.623  1902.99  35.595  1918.02  40.110  492.626 4.6092 494.542 5.1736 -1.915649      6.928953 
1 1 1 7  1  16 o 376.400 2.6760 1110.66  15.790  1113.64  21.223  1106.97  23.633  376.883 3.5920 375.741 4.0122 1.142670       5.385214 
1 1 1 7  1  17 o 323.919 2.4911 822.526  12.650  837.268  18.206  808.766  17.588  326.789 3.5538 321.180 3.4932 5.609039       4.983198 
1 1 1 7  1  18 o 640.296 4.1909 3214.66  42.067  3256.24  60.237  3175.08  58.775  644.310 5.9637 636.235 5.8928 8.075073       8.383892 
1 1 1 7  1  19 o 211.783 1.5738 351.582  5.2249  357.583  7.5071  345.943  7.2767  213.577 2.2421 210.072 2.2096 3.504745       3.147926 
1 1 1 7  1  20 o 746.917 5.4392 4375.51  63.688  4380.51  90.186  4370.54  89.952  747.118 7.7001 746.269 7.6888 0.8493042      10.88163 
1 1 1 7  1  21 o 888.461 5.7682 6191.69  80.340  6099.77  111.846 6289.66  115.477 881.539 8.0933 895.133 8.2291 -13.59467      11.54212 
1 1 1 7  1  22 o 753.655 5.1739 4454.69  61.128  4384.68  80.624  4549.35  93.749  747.544 6.8797 761.335 7.8549 -13.79089      10.44174 
1 1 1 7  1  23 o 314.486 2.1668 775.303  10.683  752.033  14.664  801.619  15.594  309.716 3.0202 319.761 3.1109 -10.04568      4.335793 
1 1 1 7  1  24 o 646.842 4.2295 3280.93  42.888  3241.98  59.856  3322.02  61.483  642.864 5.9393 650.743 6.0269 -7.878967      8.461596 
1 1 1 7  1  25 o 630.862 4.6103 3121.13  45.595  3149.18  65.089  3094.09  63.890  633.529 6.5537 627.969 6.4900 5.559448       9.223393 
1 1 1 7  1  26 o 251.326 1.7981 495.148  7.0845  502.215  10.162  488.465  9.8819  253.103 2.5611 249.615 2.5253 3.488266       3.596745 
1 1 1 7  1  27 o 442.258 2.8115 1533.43  19.492  1541.30  29.043  1526.98  26.294  443.335 4.1789 441.289 3.8009 2.045898       5.648872 
1 1 1 7  1  28 o 278.299 1.8691 607.140  8.1544  609.783  11.054  603.984  12.077  278.893 2.5284 277.558 2.7757 1.334564       3.754598 
1 1 1 7  1  29 o 233.304 1.5528 426.677  5.6794  431.936  8.1051  421.603  7.9606  234.729 2.2026 231.904 2.1897 2.824448       3.105849 
1 1 1 7  1  30 o 281.558 1.8032 621.447  7.9593  622.889  11.265  620.009  11.248  281.869 2.5493 281.217 2.5513 0.6524658      3.606684 
1 1 1 7  1  31 o 194.613 1.3599 296.891  4.1490  292.790  5.7855  301.234  5.9532  193.258 1.9096 196.025 1.9373 -2.766342      2.720237 
1 1 1 7  1  32 o 112.950 1.0320 100.003  1.8274  97.616   2.5393  102.566  2.6319  111.591 1.4515 114.386 1.4677 -2.794083      2.064261 
1 1 1 7  1  33 o 133.518 1.1575 139.742  2.4229  135.948  3.5527  143.042  3.3128  131.688 1.7209 135.081 1.5644 -3.393570      2.325692 
1 1 1 7  1  34 o 190.402 1.4844 284.193  4.4306  286.826  7.1470  282.549  5.6466  191.265 2.3836 189.844 1.8973 1.421692       3.046533 
1 1 1 7  1  35 o 115.171 1.1653 103.979  2.1039  104.270  3.4451  103.805  2.6570  115.325 1.9056 115.073 1.4729 0.2525864      2.408419 
1 1 1 7  1  36 o 40.045  1.3464 12.571   0.8452  11.916   1.8635  12.740   0.9484  38.857  3.0846 40.313  1.5007 -1.456791      3.430290 
1 1 1 7  1  37 o 120.502 1.1125 113.828  2.1016  115.404  3.6920  113.073  2.5561  121.322 1.9412 120.099 1.3577 1.223045       2.368845 
1 1 1 7  1  38 o 85.842  1.1097 57.764   1.4933  57.169   2.0509  58.436   2.1787  85.395  1.5320 86.335  1.6098 -0.9397430     2.222229 
1 1 1 7  1  39 o 176.005 1.3038 242.846  3.5975  240.941  5.1132  244.713  5.0624  175.302 1.8606 176.670 1.8279 -1.367599      2.608247 
1 1 1 7  1  40 o 191.330 1.3093 286.978  3.9272  284.254  5.3284  290.217  5.8107  190.409 1.7851 192.391 1.9266 -1.982651      2.626456 
1 1 1 7  1  41 o 157.163 1.1186 193.628  2.7560  192.959  3.6395  194.529  4.2197  156.885 1.4798 157.517 1.7088 -0.6321716     2.260518 
1 1 1 7  1  42 o 220.552 1.3881 381.344  4.7995  378.951  6.3093  384.630  7.3940  219.845 1.8307 221.475 2.1296 -1.630051      2.808297 
1 1 1 7  1  43 o 134.876 1.1005 142.607  2.3270  144.482  2.9528  139.534  3.7800  135.756 1.3875 133.403 1.8075 2.352844       2.278595 
1 1 1 7  1  44 o 147.634 1.1432 170.863  2.6458  174.009  3.3655  165.772  4.2810  148.981 1.4410 145.403 1.8781 3.578644       2.367213 
1 1 1 7  1  45 o 245.378 1.5723 472.064  6.0482  473.433  7.6695  469.812  9.8361  245.716 1.9910 244.743 2.5636 0.9727325      3.246005 
1 1 1 7  1  46 o 183.403 1.2845 263.700  3.6932  262.759  4.6374  265.332  6.1069  183.066 1.6159 183.942 2.1178 -0.8759918     2.663857 
1 1 1 7  1  47 o 283.055 2.0255 628.296  8.9877  627.993  12.719  628.598  12.702  282.922 2.8677 283.059 2.8624 -0.1368103     4.051840 
1 1 1 7  1  48 o 255.274 1.9648 511.020  7.8627  515.172  10.683  506.111  11.614  256.260 2.6593 253.975 2.9171 2.285400       3.947294 
1 1 1 7  1  49 o 78.472  1.3025 48.278   1.6023  48.819   2.2523  47.723   2.2801  78.902  1.8209 78.011  1.8644 0.8912048      2.606082 
1 1 1 7  1  50 o 193.571 1.6230 293.811  4.9251  295.620  6.7047  291.691  7.2585  194.136 2.2030 192.829 2.4011 1.306686       3.258647 
1 1 1 7  1  51 o 60.029  1.3731 28.253   1.2921  29.729   1.9026  26.990   1.7604  61.566  1.9713 58.663  1.9143 2.903419       2.747771 
1 1 1 7  1  52 o 237.642 1.7529 442.898  6.5303  445.505  9.4232  440.490  9.0582  238.271 2.5227 236.935 2.4387 1.336441       3.508775 
1 1 1 7  1  53 o 47.168  1.7684 17.450   1.3077  17.506   1.6115  17.341   2.2376  47.237  2.1761 46.892  3.0607 0.3446922      3.755455 
1 1 1 7  1  54 o 243.863 2.0355 466.584  7.7818  465.339  9.7856  468.726  12.835  243.469 2.5638 244.222 3.3524 -0.7533112     4.220365 
1 1 1 7  1  55 o 99.439  1.3931 77.547   2.1717  77.243   2.6927  78.112   3.6731  99.230  1.7310 99.753  2.3488 -0.5227890     2.917745 
1 1 1 7  1  56 f 75.300  1.3114 44.468   1.5480  44.058   1.8327  45.490   2.8920  74.943  1.5599 76.111  2.4238 -1.167931      2.882390 
1 1 1 7  1  57 o 173.331 1.5190 235.687  4.1275  237.508  5.4892  233.317  6.2609  173.945 2.0130 172.363 2.3171 1.581970       3.069349 
1 1 1 7  1  58 o 53.566  1.4537 22.510   1.2207  22.747   1.6006  22.180   1.8874  53.832  1.8966 53.139  2.2657 0.6923676      2.954746 
1 1 1 7  1  59 o 49.282  1.4568 19.055   1.1254  18.901   1.5063  19.250   1.6933  49.063  1.9584 49.503  2.1820 -0.4398460     2.931977 
1 1 1 7  1  60 o 108.562 1.4153 92.474   2.4087  89.258   2.9592  98.789   4.1463  106.627 1.7703 112.106 2.3593 -5.479393      2.949640 
1 1 1 7  1  61 o 14.768  3.3740 1.7887   0.7640  2.4028   1.0187  0.9991   1.1552  17.101  3.8879 12.458  4.5473 4.643192       5.982759 
1 1 1 7  1  62 o 49.551  1.3066 19.266   1.0150  19.598   1.3703  18.861   1.5108  49.956  1.7497 48.996  1.9670 0.9605713      2.632553 
1 1 1 7  1  63 o 70.798  1.2055 39.326   1.3380  39.310   1.7728  39.347   2.0395  70.757  1.5982 70.772  1.8383 -0.1438904E-01 2.435893 
1 1 1 7  1  64 o 58.917  1.1020 27.232   1.0178  27.192   1.3008  27.296   1.6345  58.858  1.4098 58.946  1.7688 -0.8848953E-01 2.261889 
1 1 1 7  1  65 o 51.129  1.6272 20.532   1.3042  20.754   2.0198  20.374   1.7080  51.333  2.5099 50.894  2.1408 0.4394150      3.298905 
1 1 1 7  1  66 o 65.223  1.3324 33.393   1.3624  33.055   2.3460  33.565   1.6735  64.799  2.3095 65.367  1.6331 -0.5685730     2.828550 
1 1 1 7  1  67 o 68.109  1.3062 36.414   1.3947  37.333   2.4449  35.971   1.6981  68.861  2.2648 67.668  1.6008 1.192970       2.773421 
1 1 1 7  1  68 o 60.890  1.3187 29.109   1.2588  30.147   2.2708  28.648   1.5124  61.859  2.3417 60.384  1.5977 1.475170       2.834804 
1 1 1 7  1  69 o 73.962  1.2487 42.946   1.4479  44.933   2.6037  42.057   1.7421  75.528  2.1990 73.164  1.5188 2.363640       2.672536 
1 1 1 7  1  70 o 137.600 1.5847 148.821  3.4183  146.730  6.3180  149.686  4.0646  136.161 2.9599 137.921 1.8799 -1.760574      3.506425 
1 1 1 7  1  71 o 39.992  2.5861 12.689   1.6127  10.642   2.2361  14.908   2.3280  36.290  3.9967 43.163  3.4697 -6.873146      5.292701 
1 1 1 7  1  72 o 22.432  4.1594 4.1562   1.4088  2.7177   1.8960  5.9296   2.1051  18.311  5.8496 26.598  5.2351 -8.286577      7.850130 
1 1 1 7  1  73 o 34.830  2.8778 9.6892   1.5573  8.7812   2.1630  10.666   2.2438  32.762  4.3165 36.252  4.0158 -3.489555      5.895618 
1 1 1 7  1  74 o 60.155  2.1168 28.573   1.9962  30.809   2.8446  26.404   2.8019  62.260  2.9145 57.499  3.1201 4.760590       4.269581 
1 1 1 7  1  75 o 50.618  2.2629 20.272   1.7957  19.425   2.4878  21.193   2.5945  49.209  3.2431 51.411  3.2357 -2.202263      4.581215 
1 1 1 7  1  76 f 38.893  2.6821 12.085   1.6253  13.082   2.3198  11.124   2.2779  40.130  3.7301 36.878  4.0045 3.251595       5.472587 
1 1 1 7  1  77 o 31.187  3.1904 7.8747   1.5379  9.6045   2.2165  6.2691   2.1355  34.089  4.2393 27.069  5.2216 7.019564       6.725808 
1 1 1 7  1  78 o 13.973  5.1099 1.3893   1.4597  1.9102   2.0382  0.8407   2.0915  16.243  6.0214 14.260  5.8500 1.982915       8.395212 
1 1 1 7  1  79 o 24.669  4.0896 5.0961   1.5262  2.9493   2.1033  7.4835   2.2180  18.629  6.1763 29.622  4.9511 -10.99267      7.915801 
1 1 1 7  1  80 o 41.367  2.7301 13.753   1.7605  11.135   2.3346  17.203   2.6807  36.612  4.1403 45.798  3.7671 -9.185974      5.597602 
1 1 1 7  1  81 o 18.815  5.0250 3.0874   1.5101  0.7173   2.0120  6.1454   2.2854  13.734  5.6961 26.339  5.7003 -12.60495      8.058477 
1 1 1 7  1  82 o 43.003  3.1512 15.015   2.1096  14.722   3.7175  15.154   2.5620  40.836  5.9847 42.840  3.8563 -2.003929      7.119483 
1 1 1 7  1  83 o 34.933  3.4653 10.030   1.8727  10.906   3.3468  9.6304   2.2595  34.672  6.3929 33.775  4.3699 0.8964119      7.743727 
1 1 1 7  1  84 o 38.688  2.6493 12.078   1.5971  9.9300   2.1563  14.689   2.3770  34.386  4.0797 42.172  3.6309 -7.785591      5.461433 
1 1 1 7  1  85 o 11.631  5.2442 -0.5759  2.0223  -1.3368  2.8775  0.1666   2.8426  13.037  6.0200 14.568  6.4138 -1.530996      8.796443 
1 1 1 7  1  86 o 18.540  7.2664 2.8728   3.0749  2.8728   3.0749  0.0000   0.0000  18.540  7.2664 ?       ?      0.000000       7.266377 
1 1 1 7  2  0  o 108.513 2.0216 92.397   3.4363  92.397   3.4363  92.397   3.4363  108.513 2.0216 108.513 2.0216 0.000000       0.000000 
1 1 1 7  2  1  o 173.922 1.9598 237.120  5.3435  224.562  8.1273  246.682  7.0919  169.245 3.0632 177.390 2.5502 -8.145218      3.985842 
1 1 1 7  2  2  o 414.789 3.5834 1348.94  23.301  1322.53  32.326  1377.49  33.618  410.658 5.0214 419.100 5.1168 -8.442108      7.169049 
1 1 1 7  2  3  o 516.458 4.0784 2091.41  33.020  2089.36  50.461  2092.94  43.667  516.090 6.2370 516.582 5.3921 -0.4920044     8.244668 
1 1 1 7  2  4  o 334.619 2.9605 877.809  15.530  898.082  22.494  859.345  21.467  338.429 4.2398 331.053 4.1363 7.376190       5.923241 
1 1 1 7  2  5  o 260.893 2.2225 533.571  9.0898  540.996  12.190  524.273  13.642  262.692 2.9601 258.594 3.3651 4.098480       4.481796 
1 1 1 7  2  6  o 423.474 3.1694 1405.93  21.041  1435.07  30.390  1379.10  29.161  427.795 4.5314 419.374 4.4355 8.421265       6.340977 
1 1 1 7  2  7  f 108.848 1.2614 92.871   2.1523  91.462   3.0524  94.264   3.0354  108.018 1.8026 109.660 1.7657 -1.642151      2.523288 
1 1 1 7  2  8  o 560.663 4.1256 2464.75  36.261  2535.52  52.788  2401.53  49.896  568.554 5.9226 553.338 5.7520 15.21552       8.256113 
1 1 1 7  2  9  o 405.749 2.8713 1290.65  18.264  1291.91  27.440  1289.65  24.472  405.906 4.3123 405.565 3.8491 0.3410034      5.780267 
1 1 1 7  2  10 o 517.995 3.6056 2103.71  29.279  2095.12  43.788  2110.65  39.377  516.856 5.4043 518.797 4.8416 -1.941101      7.255808 
1 1 1 7  2  11 o 243.308 1.8474 464.052  7.0463  464.526  9.4839  463.468  10.528  243.426 2.4852 243.145 2.7619 0.2805939      3.715426 
1 1 1 7  2  12 o 257.814 1.8391 521.032  7.4328  530.112  10.686  512.521  10.346  260.042 2.6212 255.691 2.5810 4.350449       3.678661 
1 1 1 7  2  13 o 396.407 2.6647 1231.88  16.560  1222.39  23.243  1241.66  23.599  394.851 3.7549 397.950 3.7828 -3.098907      5.329999 
1 1 1 7  2  14 o 400.044 2.5638 1254.57  16.078  1258.05  21.831  1250.44  23.769  400.577 3.4764 399.355 3.7966 1.222137       5.147782 
1 1 1 7  2  15 o 391.589 2.5147 1202.10  15.437  1198.03  20.828  1207.05  22.995  390.906 3.3988 392.366 3.7384 -1.459656      5.052526 
1 1 1 7  2  16 o 220.082 1.6314 379.678  5.6287  383.792  7.3242  373.743  8.7970  221.267 2.1115 218.347 2.5700 2.920471       3.326158 
1 1 1 7  2  17 o 689.245 4.5054 3725.18  48.681  3768.70  69.631  3683.58  68.086  693.115 6.4083 685.250 6.3380 7.865356       9.013157 
1 1 1 7  2  18 o 321.173 2.1099 808.616  10.623  787.299  14.004  837.507  16.303  316.901 2.8189 326.842 3.1818 -9.941315      4.250884 
1 1 1 7  2  19 o 288.267 2.0175 651.405  9.1170  647.921  12.831  654.958  12.957  287.483 2.8471 289.040 2.8595 -1.556702      4.035122 
1 1 1 7  2  20 o 246.482 1.7798 476.240  6.8771  476.148  8.8655  476.378  10.897  246.453 2.2946 246.505 2.8200 -0.5252075E-01 3.635585 
1 1 1 7  2  21 o 580.339 3.6361 2640.67  33.080  2679.99  49.813  2609.64  44.246  584.540 5.4359 576.853 4.8928 7.687012       7.313587 
1 1 1 7  2  22 o 303.093 1.9255 720.130  9.1488  739.960  13.256  702.097  12.642  307.224 2.7524 299.262 2.6947 7.962311       3.851947 
1 1 1 7  2  23 o 412.941 2.5304 1336.79  16.381  1345.60  21.573  1324.80  25.173  414.276 3.3218 411.042 3.9065 3.234344       5.127898 
1 1 1 7  2  24 o 154.476 1.1535 187.052  2.7933  185.781  3.7762  188.587  4.1511  153.949 1.5647 155.106 1.7072 -1.157425      2.315750 
1 1 1 7  2  25 o 256.607 1.6792 516.167  6.7548  524.327  9.6458  508.314  9.4624  258.618 2.3792 254.638 2.3704 3.979431       3.358475 
1 1 1 7  2  26 o 276.701 1.7861 600.180  7.7479  603.248  10.970  597.126  10.944  277.395 2.5226 275.984 2.5296 1.411316       3.572463 
1 1 1 7  2  27 o 173.831 1.2324 236.864  3.3584  239.941  4.6031  233.363  4.9108  174.954 1.6783 172.538 1.8156 2.416092       2.472448 
1 1 1 7  2  28 o 232.721 1.6209 424.551  5.9134  432.047  7.5392  412.564  9.5329  234.761 2.0485 229.397 2.6508 5.364120       3.350147 
1 1 1 7  2  29 o 566.027 3.5530 2512.34  31.527  2474.30  45.953  2546.17  43.334  561.591 5.2196 569.723 4.8519 -8.132385      7.126429 
1 1 1 7  2  30 o 242.626 1.6087 461.465  6.1187  464.785  8.6994  458.215  8.6077  243.486 2.2791 241.759 2.2712 1.726807       3.217531 
1 1 1 7  2  31 o 181.982 1.3147 259.603  3.7507  259.155  5.2901  260.056  5.3186  181.818 1.8560 182.134 1.8627 -0.3157654     2.629529 
1 1 1 7  2  32 o 182.154 1.3797 260.098  3.9399  255.348  5.7950  264.181  5.3728  180.474 2.0483 183.572 1.8670 -3.097778      2.771464 
1 1 1 7  2  33 o 142.412 1.2123 158.983  2.7066  154.750  3.9813  162.621  3.6907  140.497 1.8076 144.028 1.6346 -3.530975      2.437057 
1 1 1 7  2  34 o 119.389 1.1374 111.734  2.1287  112.372  3.2133  111.234  2.8417  119.724 1.7121 119.119 1.5218 0.6054916      2.290616 
1 1 1 7  2  35 f 335.013 2.1022 879.964  11.041  887.123  15.748  873.045  15.483  336.327 2.9868 333.649 2.9602 2.677612       4.205223 
1 1 1 7  2  36 o 103.333 0.9924 83.702   1.6075  86.219   2.4411  81.774   2.1361  104.871 1.4849 102.133 1.3341 2.737534       1.996169 
1 1 1 7  2  37 o 148.317 1.1305 172.442  2.6284  170.743  3.8711  173.895  3.5802  147.576 1.6733 148.934 1.5334 -1.358200      2.269627 
1 1 1 7  2  38 o 146.294 1.1195 167.773  2.5674  167.929  3.8153  167.643  3.4707  146.355 1.6629 146.232 1.5140 0.1222076      2.248877 
1 1 1 7  2  39 o 124.472 1.0852 121.452  2.1176  121.620  3.0690  121.300  2.9257  124.551 1.5718 124.388 1.5004 0.1631012      2.172938 
1 1 1 7  2  40 o 41.456  1.1979 13.473   0.7785  15.199   1.2553  12.393   0.9924  44.029  1.8186 39.759  1.5922 4.269695       2.417111 
1 1 1 7  2  41 o 271.392 1.7686 577.475  7.5244  575.253  10.576  579.752  10.708  270.834 2.4909 271.889 2.5121 -1.055786      3.537715 
1 1 1 7  2  42 o 249.702 1.6579 488.847  6.4897  491.748  9.2009  485.975  9.1549  250.411 2.3438 248.937 2.3459 1.474411       3.316139 
1 1 1 7  2  43 o 64.520  1.0157 32.632   1.0274  33.214   1.3437  31.814   1.5940  65.090  1.3169 63.701  1.5962 1.389774       2.069273 
1 1 1 7  2  44 o 103.026 1.0063 83.207   1.6252  82.399   2.0553  84.556   2.6550  102.521 1.2788 103.850 1.6308 -1.328423      2.072397 
1 1 1 7  2  45 o 108.863 1.0180 92.903   1.7373  92.952   2.2129  92.823   2.8048  108.888 1.2963 108.807 1.6443 0.8135223E-01  2.093865 
1 1 1 7  2  46 f 202.338 1.3593 320.971  4.3116  313.717  5.3818  333.971  7.2045  200.026 1.7163 206.360 2.2270 -6.333252      2.811615 
1 1 1 7  2  47 o 143.949 1.3447 162.454  3.0344  161.186  3.9209  164.348  4.7915  143.375 1.7445 144.763 2.1114 -1.387680      2.738788 
1 1 1 7  2  48 o 167.743 1.4391 220.610  3.7844  216.149  4.8309  227.697  6.0888  166.024 1.8561 170.382 2.2796 -4.358292      2.939656 
1 1 1 7  2  49 f 105.462 1.2563 87.198   2.0770  85.295   2.6771  90.075   3.2920  104.297 1.6373 107.171 1.9594 -2.873917      2.553479 
1 1 1 7  2  50 o 129.367 1.3039 131.214  2.6444  136.006  3.5119  124.938  4.0188  131.696 1.7010 126.212 2.0311 5.484032       2.649343 
1 1 1 7  2  51 o 111.739 1.2588 97.892   2.2051  99.822   2.9127  95.300   3.3749  112.824 1.6468 110.229 1.9530 2.595604       2.554681 
1 1 1 7  2  52 o 155.481 1.3883 189.556  3.3840  186.523  4.3515  194.197  5.3825  154.213 1.8000 157.330 2.1823 -3.117538      2.828870 
1 1 1 7  2  53 o 108.162 1.2402 91.732   2.1029  91.601   2.7563  91.915   3.2529  108.072 1.6269 108.244 1.9170 -0.1726379     2.514255 
1 1 1 7  2  54 f 113.632 1.2417 101.249  2.2120  103.264  2.9259  98.562   3.3793  114.741 1.6267 112.083 1.9232 2.657906       2.518893 
1 1 1 7  2  55 o 84.276  1.2682 55.698   1.6755  55.390   2.2985  56.047   2.4476  84.025  1.7449 84.518  1.8473 -0.4924850     2.541137 
1 1 1 7  2  56 o 120.433 1.3149 113.756  2.4825  116.814  3.4310  110.395  3.5965  122.011 1.7938 118.601 1.9343 3.410400       2.638041 
1 1 1 7  2  57 o 95.524  1.3175 71.571   1.9729  72.334   2.5942  70.524   3.0384  96.009  1.7236 94.777  2.0450 1.231438       2.674478 
1 1 1 7  2  58 o 106.001 1.2905 88.137   2.1445  86.485   2.7588  90.660   3.4090  104.976 1.6764 107.450 2.0238 -2.473541      2.627935 
1 1 1 7  2  59 o 40.400  1.8331 12.814   1.1609  12.409   1.5745  13.297   1.7186  39.645  2.5468 41.029  2.6869 -1.384125      3.702116 
1 1 1 7  2  60 f 140.353 1.4768 154.589  3.2494  154.259  3.9829  155.244  5.6192  140.162 1.8127 140.487 2.5514 -0.3252411     3.129790 
1 1 1 7  2  61 o 63.816  1.3285 31.955   1.3291  33.876   1.7221  29.126   2.0901  65.686  1.6724 60.872  2.1903 4.814400       2.755738 
1 1 1 7  2  62 o 111.057 1.3255 96.784   2.3076  95.885   3.0162  98.053   3.5837  110.495 1.7413 111.696 2.0466 -1.200699      2.687128 
1 1 1 7  2  63 o 49.763  2.2490 19.479   1.7545  19.797   2.8145  19.276   2.2438  49.902  3.6225 49.361  2.9125 0.5403175      4.648111 
1 1 1 7  2  64 o 39.824  2.4401 12.532   1.5160  12.762   2.2318  12.336   2.0657  40.001  3.5975 39.362  3.3805 0.6392555      4.936548 
1 1 1 7  2  65 o 20.540  3.4162 3.4243   1.0614  3.5744   1.5919  3.3041   1.4241  20.747  4.9614 19.972  4.6374 0.7755318      6.791188 
1 1 1 7  2  66 o 73.918  1.3853 42.897   1.6053  41.070   2.5813  44.049   2.0499  72.227  2.2797 74.868  1.7465 -2.641663      2.871866 
1 1 1 7  2  67 o 62.112  1.4412 30.297   1.4033  31.903   2.3378  29.392   1.7546  63.639  2.3433 61.143  1.8306 2.496136       2.973562 
1 1 1 7  2  68 o 45.136  1.6256 16.010   1.1502  15.569   1.8753  16.276   1.4564  44.327  2.7117 45.476  2.0429 -1.148743      3.395070 
1 1 1 7  2  69 o 13.240  3.9570 1.4137   0.8846  0.4464   1.4796  1.9517   1.1035  12.041  4.9278 15.419  4.3669 -3.378655      6.584341 
1 1 1 7  2  70 o 53.789  1.4567 22.734   1.2283  23.341   2.0457  22.391   1.5360  54.388  2.3993 53.343  1.8368 1.044731       3.021709 
1 1 1 7  2  71 o 12.778  4.1692 1.2660   0.9598  0.3159   1.9630  1.5645   1.1003  13.277  5.5755 14.041  4.4531 -0.7642469     7.135524 
1 1 1 7  2  72 o 18.909  3.5628 2.9420   1.0174  5.6839   2.0994  2.1004   1.1631  25.977  5.3339 15.919  4.4745 10.05844       6.962156 
1 1 1 7  2  73 o 54.430  1.5899 23.314   1.3566  21.492   2.6265  23.976   1.5843  51.840  3.2483 55.162  1.8320 -3.322128      3.729341 
1 1 1 7  2  74 o 21.929  2.7778 3.8780   0.9335  5.0139   2.0096  3.5654   1.0542  24.242  5.4235 20.883  3.3321 3.359377       6.365256 
1 1 1 7  2  75 o 44.789  2.4961 15.961   1.7456  15.503   2.3651  16.510   2.5873  43.838  3.4698 45.167  3.6861 -1.329517      5.062341 
1 1 1 7  2  76 o 14.511  5.1431 1.5665   1.4651  1.2357   2.0037  1.9465   2.1476  14.871  5.8541 16.597  6.1753 -1.725451      8.509079 
1 1 1 7  2  77 o 52.652  2.3677 22.019   1.9543  22.313   2.7241  21.708   2.8053  52.572  3.3225 51.780  3.4761 0.7917290      4.808507 
1 1 1 7  2  78 o 30.220  3.4933 7.4715   1.6244  8.7362   2.2269  6.0332   2.3749  32.280  4.5248 26.135  5.9324 6.145658       7.461027 
1 1 1 7  2  79 o 25.941  4.0655 5.6276   1.5990  3.5452   2.1529  8.1896   2.3880  20.063  6.2095 30.907  5.1069 -10.84461      8.039798 
1 1 1 7  2  80 o 20.380  4.9506 3.6150   1.5660  6.4468   2.2190  0.8054   2.2103  27.162  5.4015 14.370  5.9659 12.79212       8.047804 
1 1 1 7  2  81 o 48.602  2.5681 18.938   1.9498  21.668   2.7479  16.170   2.7670  51.563  3.4189 44.175  4.0403 7.388130       5.292704 
1 1 1 7  2  82 o 28.959  3.6812 6.9528   1.6334  7.5790   2.2205  6.2143   2.4114  29.642  4.9532 26.252  5.9915 3.390585       7.773775 
1 1 1 7  2  83 o 55.975  2.8435 25.300   2.4870  23.307   4.4594  26.199   2.9962  51.617  5.6008 56.618  3.3913 -5.000164      6.547509 
1 1 1 7  2  84 o 28.267  5.5298 7.1466   2.3626  6.8298   3.3786  7.4497   3.3052  26.216  7.7083 27.556  7.4657 -1.339670      10.73101 
1 1 1 7  2  85 o 64.883  3.2133 34.405   3.2684  33.754   4.6518  35.040   4.5932  62.609  4.7755 63.989  4.6098 -1.380295      6.637408 
1 1 1 7  3  0  o 717.690 6.0491 4039.65  68.047  4039.65  68.047  4039.65  68.047  717.690 6.0491 717.690 6.0491 0.000000       0.000000 
1 1 1 7  3  1  o 504.848 3.1884 1998.17  25.234  1950.31  36.514  2041.92  34.913  498.708 4.6704 510.300 4.3643 -11.59183      6.392166 
1 1 1 7  3  2  o 282.383 1.8137 625.069  8.0290  624.950  11.366  625.187  11.343  282.347 2.5679 282.400 2.5622 -0.5355835E-01 3.627550 
1 1 1 7  3  3  o 372.538 2.3042 1087.96  13.457  1108.67  19.377  1068.66  18.703  376.047 3.2869 369.202 3.2315 6.845581       4.609378 
1 1 1 7  3  4  o 519.412 3.1324 2115.10  25.506  2109.95  35.986  2120.30  36.156  518.729 4.4253 520.000 4.4353 -1.271057      6.265398 
1 1 1 7  3  5  o 384.234 2.4740 1157.36  14.902  1148.18  21.919  1165.25  20.322  382.680 3.6537 385.522 3.3624 -2.841980      4.965428 
1 1 1 7  3  6  o 146.902 1.2731 169.159  2.9319  163.424  4.5176  173.333  3.8537  144.387 1.9958 148.702 1.6531 -4.314804      2.591563 
1 1 1 7  3  7  o 266.527 1.8964 556.849  7.9236  559.367  11.231  554.354  11.180  267.120 2.6821 265.920 2.6819 1.199738       3.792896 
1 1 1 7  3  8  o 204.796 1.5536 328.765  4.9877  318.287  6.8460  340.620  7.2815  201.501 2.1672 208.450 2.2283 -6.949051      3.108385 
1 1 1 7  3  9  o 555.503 3.8555 2419.49  33.576  2392.20  44.500  2455.56  51.160  552.299 5.1396 559.523 5.8326 -7.224243      7.773938 
1 1 1 7  3  10 o 508.701 3.7616 2028.94  29.998  2028.36  37.911  2029.92  49.059  508.585 4.7549 508.705 6.1518 -0.1197510     7.775188 
1 1 1 7  3  11 o 508.517 3.7618 2027.47  29.988  2018.54  37.736  2042.78  49.402  507.354 4.7445 510.312 6.1753 -2.957672      7.787457 
1 1 1 7  3  12 o 248.851 1.8054 485.433  7.0431  491.002  9.1414  477.299  11.048  250.269 2.3300 246.745 2.8562 3.523605       3.685990 
1 1 1 7  3  13 o 471.279 3.3084 1741.31  24.443  1747.19  32.878  1734.03  36.547  472.034 4.4430 470.229 4.9578 1.804596       6.657300 
1 1 1 7  3  14 f 531.153 3.7024 2211.99  30.829  2235.11  41.762  2184.29  45.701  533.862 4.9900 527.728 5.5241 6.134155       7.444142 
1 1 1 7  3  15 o 532.876 3.7143 2226.37  31.028  2229.74  41.661  2222.18  46.498  533.219 4.9839 532.280 5.5723 0.9385376      7.475986 
1 1 1 7  3  16 o 1004.77 6.2221 7919.58  98.007  8057.92  147.852 7811.14  130.896 1013.01 9.3103 997.544 8.3703 15.46222       12.51969 
1 1 1 7  3  17 o 550.036 3.4594 2372.00  29.830  2384.28  44.477  2361.96  40.215  551.373 5.1456 548.813 4.6742 2.560059       6.951656 
1 1 1 7  3  18 o 357.544 2.5779 1002.18  14.449  990.222  21.398  1012.21  19.591  355.373 3.8409 359.307 3.4780 -3.933777      5.181572 
1 1 1 7  3  19 f 369.695 2.5175 1071.45  14.590  1039.43  22.393  1095.07  19.233  364.093 3.9233 373.729 3.2827 -9.635864      5.115523 
1 1 1 7  3  20 o 254.475 1.8490 507.628  7.3761  502.228  10.330  513.246  10.536  253.108 2.6034 255.869 2.6266 -2.761002      3.698230 
1 1 1 7  3  21 o 651.956 4.0732 3332.94  41.631  3370.50  62.435  3302.88  55.861  655.465 6.0761 648.906 5.4913 6.558167       8.189809 
1 1 1 7  3  22 f 428.460 2.6227 1439.19  17.616  1462.07  25.300  1417.65  24.543  431.817 3.7373 425.208 3.6820 6.608307       5.246371 
1 1 1 7  3  23 o 382.902 2.4747 1149.39  14.855  1166.48  20.389  1130.06  21.686  385.713 3.3719 379.634 3.6439 6.078430       4.964615 
1 1 1 7  3  24 o 414.114 2.5439 1344.43  16.515  1334.96  23.163  1354.22  23.552  412.619 3.5809 415.583 3.6150 -2.964294      5.088369 
1 1 1 7  3  25 o 84.096  1.1824 55.436   1.5589  57.548   2.4993  54.090   1.9943  85.681  1.8607 83.068  1.5315 2.612526       2.409900 
1 1 1 7  3  26 o 353.760 2.4189 981.107  13.414  972.800  18.824  989.679  19.122  352.229 3.4090 355.271 3.4333 -3.041748      4.838250 
1 1 1 7  3  27 o 465.008 2.8325 1695.33  20.649  1678.92  28.912  1712.42  29.499  462.694 3.9860 467.286 4.0270 -4.591766      5.666080 
1 1 1 7  3  28 o 116.071 1.1445 105.607  2.0826  103.411  2.7806  108.413  3.1430  114.856 1.5443 117.600 1.7048 -2.744102      2.300274 
1 1 1 7  3  29 o 207.562 1.5118 337.720  4.9192  334.773  7.1760  340.333  6.7566  206.644 2.2152 208.356 2.0686 -1.711426      3.030818 
1 1 1 7  3  30 o 294.608 1.8907 680.420  8.7320  689.805  12.501  671.478  12.202  296.610 2.6884 292.645 2.6598 3.965729       3.781839 
1 1 1 7  3  31 o 546.722 3.4467 2344.21  29.541  2318.79  43.287  2366.36  40.415  543.576 5.0797 549.170 4.6944 -5.594421      6.916722 
1 1 1 7  3  32 o 224.606 1.6044 395.478  5.6492  383.714  8.1639  406.286  7.8252  221.223 2.3540 227.641 2.1927 -6.417938      3.217092 
1 1 1 7  3  33 o 420.302 2.6978 1385.24  17.776  1382.79  26.312  1387.30  24.110  419.825 3.9979 420.541 3.6571 -0.7160645     5.418262 
1 1 1 7  3  34 o 247.149 1.7211 478.875  6.6684  481.132  9.9385  477.026  8.9932  247.703 2.5594 246.653 2.3258 1.050583       3.458296 
1 1 1 7  3  35 o 136.478 1.2127 146.015  2.5947  143.486  3.8176  148.186  3.5372  135.283 1.8001 137.483 1.6412 -2.200333      2.435944 
1 1 1 7  3  36 o 519.704 3.1437 2118.56  25.612  2097.40  39.296  2134.19  33.771  516.851 4.8499 521.484 4.1309 -4.632446      6.370706 
1 1 1 7  3  37 o 358.439 2.1498 1007.41  12.080  1003.79  17.729  1010.55  16.504  357.721 3.1615 358.943 2.9329 -1.221344      4.312408 
1 1 1 7  3  38 o 128.048 1.0786 128.531  2.1651  127.215  3.1838  129.662  2.9531  127.383 1.5943 128.605 1.4648 -1.221550      2.165053 
1 1 1 7  3  39 o 104.630 1.0492 85.818   1.7209  88.403   2.5203  83.560   2.3556  106.189 1.5140 103.240 1.4554 2.949287       2.100112 
1 1 1 7  3  40 o 56.183  1.1255 24.745   0.9913  24.477   1.4738  24.966   1.3397  55.875  1.6825 56.431  1.5143 -0.5562668     2.263636 
1 1 1 7  3  41 o 168.540 1.2691 222.687  3.3532  217.674  4.7024  227.873  4.7829  166.620 1.8003 170.480 1.7896 -3.859100      2.538457 
1 1 1 7  3  42 o 44.006  1.2747 15.182   0.8794  15.272   1.3291  15.111   1.1727  44.133  1.9211 43.902  1.7039 0.2308769      2.567888 
1 1 1 7  3  43 o 137.372 1.1477 147.936  2.4716  147.257  3.5441  148.580  3.4487  137.046 1.6496 137.662 1.5981 -0.6153564     2.296746 
1 1 1 7  3  44 f 238.190 1.6777 444.832  6.2644  442.566  8.4332  447.622  9.3571  237.554 2.2645 238.893 2.4985 -1.339142      3.372052 
1 1 1 7  3  45 o 261.653 1.7158 536.804  7.0378  533.764  9.1233  541.271  11.060  260.882 2.2308 262.678 2.6857 -1.795837      3.491343 
1 1 1 7  3  46 o 118.468 1.0922 110.024  2.0285  107.654  2.5652  113.980  3.3140  117.180 1.3964 120.566 1.7534 -3.385933      2.241473 
1 1 1 7  3  47 o 240.167 1.6053 452.261  6.0438  456.675  7.9359  446.167  9.3258  241.308 2.0978 238.488 2.4944 2.819687       3.259291 
1 1 1 7  3  48 o 123.690 1.2195 119.944  2.3647  121.375  3.3051  118.443  3.3847  124.413 1.6946 122.900 1.7568 1.513382       2.440856 
1 1 1 7  3  49 o 75.737  1.1995 44.971   1.4241  43.253   2.0113  46.697   2.0168  74.268  1.7275 77.169  1.6671 -2.901047      2.400728 
1 1 1 7  3  50 o 72.480  1.2247 41.188   1.3915  41.456   1.9483  40.909   1.9881  72.707  1.7093 72.225  1.7559 0.4823074      2.450500 
1 1 1 7  3  51 o 178.615 1.5025 250.174  4.2072  248.733  5.4231  252.354  6.6678  178.075 1.9426 179.335 2.3717 -1.260437      3.065755 
1 1 1 7  3  52 f 149.632 1.3815 175.570  3.2405  179.512  4.2555  170.128  4.9996  151.282 1.7943 147.252 2.1658 4.029892       2.812535 
1 1 1 7  3  53 o 58.619  1.3783 26.946   1.2666  27.144   1.6435  26.658   1.9876  58.824  1.7823 58.284  2.1753 0.5404892      2.812189 
1 1 1 7  3  54 f 64.007  1.3300 32.129   1.3346  33.171   1.7464  30.667   2.0690  65.026  1.7132 62.509  2.1114 2.516384       2.719007 
1 1 1 7  3  55 o 131.908 1.3119 136.462  2.7129  138.621  3.5561  133.455  4.1960  132.922 1.7066 130.393 2.0527 2.528091       2.669430 
1 1 1 7  3  56 o 85.763  1.2443 57.687   1.6729  58.447   2.1838  56.608   2.6027  86.309  1.6140 84.921  1.9551 1.388054       2.535176 
1 1 1 7  3  57 o 13.235  3.8660 1.4065   0.8523  2.4399   1.1267  0.0239   1.3032  17.238  4.2065 10.603  4.5024 6.634933       6.161620 
1 1 1 7  3  58 f 70.314  1.3081 38.785   1.4419  38.443   2.1658  39.057   1.9324  69.967  1.9746 70.538  1.7475 -0.5709534     2.636783 
1 1 1 7  3  59 o 103.746 1.1751 84.426   1.9112  82.908   2.5857  86.255   2.8376  102.776 1.6048 104.819 1.7269 -2.043045      2.357450 
1 1 1 7  3  60 o 68.133  1.1288 36.413   1.2056  36.835   1.5324  35.729   1.9532  68.511  1.4268 67.449  1.8473 1.062492       2.334088 
1 1 1 7  3  61 o 41.963  1.3487 13.818   0.8872  14.827   1.2755  12.873   1.2350  43.444  1.8728 40.478  1.9463 2.966770       2.700961 
1 1 1 7  3  62 o 18.763  2.7454 2.8315   0.7836  3.3865   0.9170  1.3290   1.5088  20.522  2.9340 14.252  5.1977 6.270024       5.968646 
1 1 1 7  3  63 o 80.668  1.6360 51.106   2.0689  49.501   3.2682  52.180   2.6725  79.268  2.6300 81.460  2.0927 -2.191902      3.361016 
1 1 1 7  3  64 o 119.481 1.6103 112.124  3.0163  116.847  4.7586  108.952  3.8998  121.800 2.4922 117.693 2.1137 4.107109       3.267792 
1 1 1 7  3  65 o 95.525  1.4540 71.651   2.1774  72.971   3.1070  70.377   3.0524  96.317  2.0577 94.589  2.0585 1.727547       2.910593 
1 1 1 7  3  66 o 13.944  4.3890 1.5338   1.0705  1.5529   1.5998  1.5182   1.4405  14.987  5.3676 14.564  5.1054 0.4228096      7.407850 
1 1 1 7  3  67 o 68.485  1.6757 36.862   1.7990  37.513   2.5772  36.243   2.5125  68.993  2.3827 67.818  2.3632 1.174950       3.355946 
1 1 1 7  3  68 o 58.034  1.7266 26.480   1.5708  26.662   2.5850  26.374   1.9778  58.081  2.8391 57.864  2.1804 0.2165527      3.579708 
1 1 1 7  3  69 o 45.190  1.9429 16.075   1.3764  16.911   2.2203  15.553   1.7541  46.101  3.0901 44.314  2.5355 1.787731       3.997143 
1 1 1 7  3  70 o 40.718  2.0052 13.060   1.2800  11.216   2.0304  14.277   1.6489  37.388  3.5051 42.444  2.4890 -5.056267      4.298950 
1 1 1 7  3  71 o 11.429  4.5185 0.6076   1.1986  -0.5365  1.6594  1.8559   1.7333  10.882  4.8401 15.898  5.5984 -5.015202      7.400543 
1 1 1 7  3  72 o 37.491  2.1700 11.132   1.2699  10.758   1.9803  11.393   1.6551  36.554  3.4985 37.800  2.8132 -1.245998      4.489251 
1 1 1 7  3  73 o 13.042  4.5044 1.2655   1.1193  -0.8957  2.7297  1.7023   1.2272  13.712  6.1452 14.612  4.7103 -0.9001703     7.742741 
1 1 1 7  3  74 o 41.151  2.0909 13.414   1.3444  10.537   2.4800  14.612   1.5999  35.741  4.5278 42.885  2.3893 -7.144779      5.119513 
1 1 1 7  3  75 o 44.335  1.9644 15.529   1.3653  13.896   2.4993  16.224   1.6299  41.293  3.9074 45.191  2.3084 -3.897587      4.538348 
1 1 1 7  3  76 f 35.612  2.1351 10.079   1.1865  11.384   2.3208  9.6175   1.3806  37.226  4.0417 34.680  2.5574 2.546829       4.782858 
1 1 1 7  3  77 o 34.672  2.1591 9.5684   1.1677  6.5600   2.2902  10.625   1.3574  27.501  5.5042 36.484  2.3865 -8.982664      5.999324 
1 1 1 7  3  78 o 19.942  3.3566 3.2913   1.0121  2.3633   2.2033  3.5395   1.1394  17.384  6.2901 20.604  3.6618 -3.219313      7.278311 
1 1 1 7  3  79 o 36.855  3.1044 11.012   1.7769  10.257   2.4282  11.882   2.6072  34.915  4.5441 37.631  4.5094 -2.716003      6.401825 
1 1 1 7  3  80 o 46.429  2.7095 17.326   1.9636  15.503   2.7367  19.259   2.8189  43.235  4.0863 48.430  3.7420 -5.195442      5.540771 
1 1 1 7  3  81 o 17.327  5.3762 2.5981   1.6127  6.6832   2.2771  -1.5127  2.2842  27.555  5.4645 11.457  5.3159 16.09766       7.623618 
1 1 1 7  3  82 o 22.363  4.9121 4.3728   1.6749  3.3775   2.2547  5.5985   2.5020  19.471  6.3919 24.633  6.4155 -5.162071      9.056266 
1 1 1 7  3  83 o 35.525  3.7325 10.482   2.0476  10.761   2.4494  9.8357   3.7310  35.565  4.4934 31.783  7.5922 3.781895       8.822280 
1 1 1 7  3  84 o 19.803  6.7335 3.6094   2.4988  9.6170   3.7717  -1.0901  3.3359  31.002  7.7747 14.277  6.5520 16.72430       10.16732 
1 1 1 7  3  85 o 39.405  4.5075 13.375   2.7344  10.721   3.7443  16.408   4.0027  32.783  7.4541 42.058  6.2619 -9.274220      9.735300 
1 1 1 7  4  0  o 86.632  1.4886 58.880   2.0203  58.880   2.0203  58.880   2.0203  86.632  1.4886 86.632  1.4886 0.000000       0.000000 
1 1 1 7  4  1  o 483.830 2.7237 1835.16  20.659  1877.43  29.897  1796.53  28.579  489.332 3.8973 478.677 3.8085 10.65555       5.449209 
1 1 1 7  4  2  o 180.679 1.3254 255.890  3.7542  249.383  5.1920  263.021  5.4348  178.364 1.8568 183.176 1.8926 -4.811722      2.651389 
1 1 1 7  4  3  o 257.841 1.5748 521.133  6.3653  525.748  9.0685  516.651  8.9367  258.974 2.2337 256.723 2.2205 2.250153       3.149647 
1 1 1 7  4  4  o 37.150  1.3687 10.818   0.7971  10.501   1.1026  11.165   1.1537  36.550  1.9311 37.689  1.9594 -1.139145      2.751041 
1 1 1 7  4  5  o 661.807 3.6628 3434.02  38.002  3383.02  52.884  3488.48  54.644  656.789 5.1362 666.942 5.2264 -10.15283      7.327753 
1 1 1 7  4  6  o 527.351 2.9491 2180.21  24.381  2190.52  34.658  2170.11  34.304  528.550 4.1828 526.083 4.1595 2.467468       5.898881 
1 1 1 7  4  7  o 270.045 1.6965 571.638  7.1820  585.919  10.792  560.286  9.6220  273.388 2.5181 267.344 2.2958 6.044098       3.407607 
1 1 1 7  4  8  o 653.467 3.6177 3348.00  37.060  3377.41  52.890  3319.63  51.945  656.243 5.1410 650.609 5.0930 5.634094       7.236614 
1 1 1 7  4  9  o 417.766 2.3765 1368.17  15.564  1366.28  21.974  1370.07  22.049  417.454 3.3578 418.032 3.3645 -0.5781860     4.753330 
1 1 1 7  4  10 o 791.049 4.3565 4906.79  54.025  4814.92  74.897  5006.44  78.005  783.464 6.0980 798.880 6.2285 -15.41650      8.716683 
1 1 1 7  4  11 o 344.448 2.0001 930.053  10.800  932.039  15.298  928.080  15.250  344.802 2.8302 344.069 2.8273 0.7329102      4.000454 
1 1 1 7  4  12 o 821.093 4.5165 5286.77  58.137  5201.27  80.799  5378.56  83.714  814.260 6.3298 828.009 6.4493 -13.74860      9.036552 
1 1 1 7  4  13 o 136.742 1.1143 146.568  2.3887  146.851  3.5062  146.322  3.2632  136.872 1.6341 136.626 1.5236 0.2461395      2.234146 
1 1 1 7  4  14 o 170.860 1.3397 228.833  3.5883  236.153  5.4353  223.178  4.7775  173.567 1.9976 168.732 1.8061 4.834229       2.693021 
1 1 1 7  4  15 o 445.097 2.8457 1553.13  19.856  1573.06  27.216  1530.46  29.034  447.909 3.8760 441.791 4.1921 6.118469       5.709381 
1 1 1 7  4  16 o 448.007 2.8615 1573.52  20.097  1544.19  29.225  1599.83  27.680  443.767 4.2010 451.701 3.9090 -7.934906      5.738301 
1 1 1 7  4  17 o 500.864 3.1689 1966.81  24.882  1989.38  34.051  1940.95  36.446  503.681 4.3125 497.495 4.6732 6.185944       6.358911 
1 1 1 7  4  18 o 737.199 4.5899 4261.91  53.045  4312.19  72.655  4204.52  77.624  741.381 6.2513 732.011 6.7643 9.370239       9.210588 
1 1 1 7  4  19 o 334.931 2.4408 879.418  12.816  867.067  16.902  896.120  19.656  332.553 3.2421 338.065 3.7088 -5.512482      4.926150 
1 1 1 7  4  20 o 270.332 2.0464 572.878  8.6725  573.380  11.573  572.235  13.098  270.439 2.7297 270.162 3.0925 0.2772522      4.124953 
1 1 1 7  4  21 o 715.421 5.2313 4014.66  58.671  3966.62  81.846  4065.43  84.149  710.889 7.3442 719.673 7.4586 -8.783630      10.46748 
1 1 1 7  4  22 o 313.118 2.3085 768.603  11.332  768.539  15.128  768.685  17.104  313.088 3.0822 313.107 3.4846 -0.1870728E-01 4.652127 
1 1 1 7  4  23 o 482.896 3.0678 1828.29  23.224  1820.63  31.258  1837.73  34.696  481.832 4.1383 484.064 4.5722 -2.232452      6.166876 
1 1 1 7  4  24 o 350.158 2.4098 961.227  13.228  953.576  16.898  973.334  21.258  348.742 3.0909 352.310 3.8490 -3.567139      4.936391 
1 1 1 7  4  25 o 277.980 2.0979 605.772  9.1422  609.038  13.715  603.161  12.264  278.704 3.1391 277.365 2.8205 1.339630       4.220116 
1 1 1 7  4  26 o 398.023 2.6958 1242.07  16.821  1236.66  21.612  1250.38  26.789  397.123 3.4715 399.279 4.2798 -2.155670      5.510718 
1 1 1 7  4  27 o 838.512 5.4638 5517.13  71.822  5509.49  101.412 5524.82  101.731 837.478 7.7243 838.640 7.7379 -1.161255      10.93346 
1 1 1 7  4  28 o 393.440 2.6734 1213.68  16.489  1216.84  21.312  1208.97  26.026  393.915 3.4512 392.592 4.2288 1.322845       5.458331 
1 1 1 7  4  29 f 303.344 2.1323 721.411  10.140  728.843  13.206  710.732  15.829  304.882 2.7630 301.046 3.3540 3.835876       4.345482 
1 1 1 7  4  30 o 509.234 3.0873 2033.58  24.646  2033.16  34.830  2034.00  34.880  509.063 4.3644 509.167 4.3697 -0.1038818     6.175998 
1 1 1 7  4  31 o 78.854  1.0850 48.741   1.3412  47.356   1.8696  50.210   1.9250  77.722  1.5345 80.031  1.5344 -2.308273      2.169982 
1 1 1 7  4  32 o 222.330 1.5327 387.509  5.3422  390.914  7.5908  384.167  7.5197  223.289 2.1685 221.354 2.1670 1.935455       3.065692 
1 1 1 7  4  33 o 274.772 1.8730 591.925  8.0678  589.579  10.893  594.776  12.008  274.201 2.5340 275.395 2.7813 -1.194061      3.762580 
1 1 1 7  4  34 o 327.320 2.2731 840.111  11.664  856.828  16.846  824.714  16.166  330.495 3.2514 324.248 3.1804 6.247131       4.548262 
1 1 1 7  4  35 o 333.683 2.3115 873.095  12.092  881.240  17.289  865.297  16.917  335.168 3.2904 332.126 3.2492 3.042419       4.624303 
1 1 1 7  4  36 o 187.442 1.4300 275.440  4.2020  280.896  6.3785  271.257  5.5852  189.270 2.1497 186.001 1.9154 3.268936       2.879267 
1 1 1 7  4  37 o 129.289 1.2011 131.038  2.4344  130.413  3.6447  131.540  3.2711  128.971 1.8027 129.530 1.6109 -0.5594788     2.417569 
1 1 1 7  4  38 o 320.527 2.1292 805.602  10.699  811.704  16.041  800.713  14.359  321.662 3.1812 319.503 2.8668 2.159271       4.282329 
1 1 1 7  4  39 o 129.147 1.2014 130.752  2.4323  133.541  3.7116  128.652  3.2201  130.507 1.8142 128.100 1.6035 2.406891       2.421247 
1 1 1 7  4  40 o 221.119 1.5965 383.332  5.5341  384.506  8.3036  382.393  7.4230  221.425 2.3921 220.827 2.1442 0.5979919      3.212471 
1 1 1 7  4  41 o 360.272 2.3578 1017.92  13.316  1008.89  19.616  1025.64  18.135  358.559 3.4898 361.555 3.1996 -2.995880      4.734571 
1 1 1 7  4  42 o 40.449  1.5801 12.827   1.0019  12.385   1.5054  13.179   1.3424  39.664  2.4328 40.941  2.0986 -1.276737      3.212881 
1 1 1 7  4  43 o 212.907 1.6355 355.406  5.4588  355.438  7.7754  355.375  7.6657  212.886 2.3298 212.869 2.2971 0.1701355E-01  3.271837 
1 1 1 7  4  44 o 252.605 1.7577 500.331  6.9606  503.677  9.5030  496.458  10.224  253.411 2.3921 251.575 2.5924 1.836441       3.527396 
1 1 1 7  4  45 o 48.904  1.3016 18.750   0.9979  21.290   1.4517  16.475   1.3740  52.106  1.7771 45.836  1.9121 6.270618       2.610460 
1 1 1 7  4  46 o 151.196 1.2725 179.223  3.0161  179.069  4.0993  179.405  4.4535  151.118 1.7304 151.254 1.8782 -0.1366119     2.553783 
1 1 1 7  4  47 o 107.235 1.2252 90.155   2.0597  88.370   2.5633  93.408   3.4604  106.162 1.5402 109.134 2.0226 -2.971588      2.542290 
1 1 1 7  4  48 o 59.453  1.1527 27.712   1.0744  27.917   1.2568  27.155   2.0707  59.671  1.3435 58.837  2.2450 0.8334236      2.616292 
1 1 1 7  4  49 o 40.365  1.7435 12.778   1.1033  12.815   1.5953  12.744   1.5274  40.333  2.5359 40.228  2.4334 0.1051216      3.514596 
1 1 1 7  4  50 o 121.020 1.2866 114.834  2.4409  118.530  3.5428  111.495  3.3678  122.932 1.8384 119.230 1.8018 3.702217       2.574112 
1 1 1 7  4  51 o 219.490 1.6913 377.846  5.8197  382.049  8.3600  373.893  8.1065  220.639 2.4170 218.276 2.3690 2.362518       3.384381 
1 1 1 7  4  52 o 97.130  1.1825 73.974   1.8005  75.656   2.5494  72.300   2.5431  98.212  1.6559 96.008  1.6897 2.204315       2.365784 
1 1 1 7  4  53 o 70.392  1.2486 38.857   1.3779  38.765   2.0282  38.936   1.8778  70.291  1.8406 70.451  1.7002 -0.1597366     2.505659 
1 1 1 7  4  54 o 152.717 1.3697 182.919  3.2791  182.998  4.7173  182.846  4.5614  152.700 1.9706 152.643 1.9062 0.5718994E-01  2.741711 
1 1 1 7  4  55 o 106.482 1.3382 88.933   2.2339  88.920   2.9839  88.949   3.3696  106.447 1.7881 106.447 2.0192 -0.3280640E-03 2.697176 
1 1 1 7  4  56 o 30.329  2.2624 7.2655   1.0679  6.5124   1.3465  8.5425   1.7533  28.608  3.0494 32.750  3.4677 -4.141380      4.617793 
1 1 1 7  4  57 o 39.379  1.9929 12.209   1.2263  11.119   1.6184  13.678   1.8790  37.494  2.7731 41.591  2.9000 -4.096516      4.012523 
1 1 1 7  4  58 o 74.391  1.4050 43.422   1.6386  43.407   2.0807  43.448   2.6588  74.354  1.7850 74.351  2.2811 0.3456116E-02  2.896479 
1 1 1 7  4  59 o 57.497  1.4330 25.944   1.2917  25.211   1.7205  26.890   1.9555  56.652  1.9372 58.496  2.1325 -1.843853      2.881007 
1 1 1 7  4  60 o 8.2186  3.5980 -0.2043  0.8835  -0.7646  1.1317  0.6703   1.4139  8.4006  3.8407 12.384  4.9039 -3.983076      6.228905 
1 1 1 7  4  61 f 79.908  1.2238 50.101   1.5330  49.053   1.9321  51.881   2.5186  79.043  1.5593 81.250  1.9774 -2.206474      2.518190 
1 1 1 7  4  62 o 41.709  1.4612 13.657   0.9554  13.212   1.1888  14.467   1.6056  41.005  1.8493 42.805  2.4025 -1.799904      3.031807 
1 1 1 7  4  63 o 80.044  1.5616 50.315   1.9595  49.054   2.8077  51.512   2.7360  78.951  2.2685 80.921  2.1568 -1.969765      3.130143 
1 1 1 7  4  64 o 49.737  1.7422 19.439   1.3584  21.205   2.5069  18.705   1.6163  51.716  3.1065 48.761  2.1144 2.955219       3.757807 
1 1 1 7  4  65 o 73.249  1.4292 42.131   1.6411  41.201   2.6232  42.729   2.1036  72.331  2.3134 73.726  1.8201 -1.395081      2.943572 
1 1 1 7  4  66 o 21.428  3.6381 3.7413   1.1784  5.6564   1.6030  1.4896   1.7382  26.381  4.0017 15.116  5.5688 11.26425       6.857504 
1 1 1 7  4  67 o 7.9093  3.6641 -0.9018  1.0790  -2.1074  1.4349  0.6670   1.6369  8.0555  3.8741 13.007  5.2342 -4.951809      6.511903 
1 1 1 7  4  68 o 14.121  4.2834 1.6061   1.0309  2.1614   1.4190  0.9855   1.5001  16.357  5.0378 13.303  5.1133 3.054895       7.178083 
1 1 1 7  4  69 o 50.847  1.7414 20.340   1.3881  17.393   1.8440  24.194   2.1088  46.860  2.5194 55.360  2.4298 -8.499844      3.500180 
1 1 1 7  4  70 o 49.954  1.8276 19.647   1.4312  19.301   2.0447  19.979   2.0040  49.323  2.6542 50.206  2.5546 -0.8829231     3.683810 
1 1 1 7  4  71 o 66.760  1.6314 35.071   1.7074  33.106   2.4101  37.051   2.4190  64.722  2.3754 68.498  2.2527 -3.776268      3.273738 
1 1 1 7  4  72 o 10.949  4.2615 0.6245   1.0520  1.6845   1.4348  -0.6078  1.5470  14.880  5.1021 10.324  4.6265 4.556444       6.887336 
1 1 1 7  4  73 o 20.017  3.6057 3.3056   1.0899  2.9255   1.4849  3.7494   1.6046  18.584  4.9912 21.015  4.9519 -2.431009      7.030906 
1 1 1 7  4  74 o 44.764  2.2687 15.908   1.5869  20.103   2.8146  13.953   1.9214  49.871  3.6249 41.729  2.9563 8.142365       4.677533 
1 1 1 7  4  75 f 72.812  1.7707 41.845   2.0211  41.180   3.6509  42.139   2.4269  71.646  3.2505 72.957  2.1220 -1.310677      3.881836 
1 1 1 7  4  76 o 31.577  3.4099 8.1221   1.6611  7.1041   2.3426  9.1517   2.3559  28.714  5.4024 33.023  4.6819 -4.308580      7.148835 
1 1 1 7  4  77 o 27.313  4.8314 6.3586   1.9930  6.8959   2.4306  5.2559   3.4821  28.056  5.7202 23.916  7.9478 4.140150       9.792289 
1 1 1 7  4  78 o 57.089  2.3481 25.945   2.1014  27.260   3.1775  24.923   2.8016  57.870  3.5192 55.485  3.2349 2.385368       4.780113 
1 1 1 7  4  79 o 43.591  2.3233 15.176   1.5820  18.997   2.9004  13.558   1.8874  48.020  3.8861 40.957  2.9595 7.062954       4.884733 
1 1 1 7  4  80 o 45.410  2.2131 16.411   1.5755  13.694   2.7898  17.684   1.9091  40.345  4.4869 46.934  2.6048 -6.589226      5.188230 
1 1 1 7  4  81 o 19.664  4.2809 3.3217   1.2822  4.5073   2.3558  2.8226   1.5285  22.161  6.4140 17.943  5.1587 4.218824       8.231123 
1 1 1 7  4  82 o 29.160  3.8562 7.1125   1.7196  9.0519   3.3160  6.3992   2.0111  30.974  6.9945 27.125  4.9101 3.848896       8.545893 
1 1 1 7  4  83 o 14.268  5.9960 0.8003   2.2730  0.1534   2.9895  1.6868   3.4995  14.891  6.5656 17.619  7.4238 -2.728036      9.910617 
1 1 1 7  4  84 o 30.418  5.4797 8.3262   2.5169  8.7117   3.3320  7.8140   3.8408  29.760  7.2165 27.237  8.2692 2.522892       10.97537 
1 1 1 7  4  85 o 15.477  6.9851 -0.0302  3.5972  0.0000   0.0000  -0.0302  3.5972  ?       ?      15.477  6.9851 0.000000       6.985071 
1 1 1 7  5  0  o 239.070 2.3039 448.145  8.6329  448.145  8.6329  448.145  8.6329  239.070 2.3039 239.070 2.3039 0.000000       0.000000 
1 1 1 7  5  1  o 247.852 1.5413 481.539  5.9886  465.178  8.2071  500.173  8.7583  243.600 2.1491 252.596 2.2118 -8.996094      3.083910 
1 1 1 7  5  2  o 193.612 1.3020 293.836  3.9517  293.499  5.5782  294.174  5.5991  193.498 1.8389 193.720 1.8437 -0.2223511     2.603991 
1 1 1 7  5  3  o 521.199 2.9225 2129.65  23.879  2144.69  34.019  2115.04  33.525  522.990 4.1493 519.364 4.1176 3.626404       5.845625 
1 1 1 7  5  4  o 526.962 2.9510 2177.01  24.378  2200.80  34.865  2154.26  34.099  529.784 4.1979 524.155 4.1498 5.629211       5.902848 
1 1 1 7  5  5  o 441.638 2.6024 1529.04  18.017  1519.32  26.333  1537.59  24.705  440.197 3.8159 442.845 3.5587 -2.648071      5.217790 
1 1 1 7  5  6  o 444.647 2.5207 1549.93  17.571  1539.96  24.681  1560.17  25.020  443.185 3.5524 446.084 3.5778 -2.898560      5.041834 
1 1 1 7  5  7  o 462.733 2.6165 1678.60  18.980  1698.08  27.148  1659.98  26.547  465.376 3.7211 460.127 3.6804 5.248779       5.233708 
1 1 1 7  5  8  o 119.716 1.0468 112.341  1.9645  113.923  2.7991  110.806  2.7579  120.554 1.4811 118.894 1.4796 1.660339       2.093564 
1 1 1 7  5  9  o 431.948 2.4547 1462.66  16.622  1444.91  23.212  1481.33  23.813  429.292 3.4492 434.668 3.4947 -5.376465      4.910153 
1 1 1 7  5  10 o 193.842 1.3468 294.534  4.0925  294.968  5.5762  294.026  6.0253  193.982 1.8337 193.670 1.9845 0.3113708      2.702001 
1 1 1 7  5  11 o 988.742 5.6327 7668.04  87.307  7720.58  129.577 7624.35  118.155 991.722 8.3346 985.638 7.6468 6.083679       11.31098 
1 1 1 7  5  12 o 505.522 2.9484 2003.48  23.366  1993.58  34.223  2012.13  31.980  504.216 4.3296 506.570 4.0270 -2.354340      5.912889 
1 1 1 7  5  13 o 451.121 2.6502 1595.43  18.742  1610.96  27.829  1582.54  25.354  453.269 3.9164 449.264 3.6000 4.004547       5.319571 
1 1 1 7  5  14 o 322.548 1.9724 815.551  9.9735  815.980  14.661  815.181  13.607  322.616 2.8988 322.462 2.6918 0.1535339      3.955846 
1 1 1 7  5  15 o 401.806 2.4838 1265.67  15.645  1254.96  23.990  1273.59  20.638  400.063 3.8251 403.041 3.2663 -2.978516      5.029956 
1 1 1 7  5  16 o 973.966 5.7722 7441.44  88.133  7607.21  139.714 7331.88  113.583 984.182 9.0554 966.505 7.4964 17.67676       11.75574 
1 1 1 7  5  17 f 345.716 2.1776 936.944  11.802  916.443  16.304  959.510  17.105  341.894 3.0419 349.833 3.1190 -7.939240      4.356771 
1 1 1 7  5  18 f 164.098 1.2757 211.080  3.2816  209.915  4.6121  212.274  4.6703  163.641 1.7978 164.558 1.8104 -0.9168854     2.551424 
1 1 1 7  5  19 o 195.837 1.4190 300.631  4.3565  288.638  5.9176  314.822  6.4371  191.886 1.9672 200.400 2.0490 -8.513550      2.840482 
1 1 1 7  5  20 o 605.726 3.8016 2877.05  36.100  2889.30  53.754  2866.98  48.721  606.870 5.6502 604.566 5.1407 2.304443       7.638770 
1 1 1 7  5  21 o 418.704 2.5792 1374.42  16.930  1360.27  23.655  1389.28  24.240  416.505 3.6229 420.920 3.6734 -4.415710      5.159406 
1 1 1 7  5  22 o 446.255 2.7349 1561.30  19.133  1559.24  26.995  1563.39  27.120  445.910 3.8618 446.503 3.8745 -0.5927734     5.470386 
1 1 1 7  5  23 o 324.952 2.0678 827.792  10.534  831.731  14.926  823.885  14.868  325.702 2.9234 324.162 2.9257 1.539764       4.135875 
1 1 1 7  5  24 o 284.179 1.9349 633.088  8.6198  639.992  11.758  625.065  12.674  285.709 2.6251 282.352 2.8634 3.357819       3.884597 
1 1 1 7  5  25 o 221.449 1.7718 384.435  6.1511  381.968  8.1798  387.646  9.3314  220.728 2.3639 222.356 2.6770 -1.628204      3.571312 
1 1 1 7  5  26 o 481.049 3.3854 1814.68  25.530  1822.92  34.394  1804.57  38.098  482.050 4.5513 479.572 5.0676 2.478516       6.811373 
1 1 1 7  5  27 o 258.094 1.8860 522.212  7.6307  518.993  9.7703  527.247  12.218  257.284 2.4224 259.304 3.0058 -2.019684      3.860374 
1 1 1 7  5  28 o 452.696 3.2056 1607.14  22.749  1623.35  28.124  1576.46  38.691  454.915 3.9436 448.138 5.5073 6.777374       6.773697 
1 1 1 7  5  29 o 341.136 2.4960 912.477  13.348  921.668  18.087  901.484  19.781  342.803 3.3656 339.006 3.7221 3.797089       5.018125 
1 1 1 7  5  30 o 234.822 1.8453 432.304  6.7928  445.876  10.444  422.354  8.9426  238.450 2.7940 232.087 2.4579 6.363052       3.721254 
1 1 1 7  5  31 o 24.678  2.4112 4.8208   0.9209  4.7045   1.3297  4.9280   1.2766  24.224  3.6119 24.839  3.3650 -0.6150875     4.936520 
1 1 1 7  5  32 o 192.732 1.4658 291.205  4.4288  298.161  6.1157  283.535  6.4220  195.007 2.0005 190.160 2.1543 4.847473       2.939891 
1 1 1 7  5  33 o 256.700 1.8818 516.636  7.5729  516.020  9.7386  517.578  12.045  256.525 2.4216 256.884 2.9909 -0.3584900     3.848346 
1 1 1 7  5  34 o 286.335 2.0460 642.855  9.1838  648.013  11.923  635.329  14.401  287.451 2.6458 284.586 3.2280 2.864441       4.173772 
1 1 1 7  5  35 o 240.875 1.7098 454.895  6.4563  446.911  8.5886  465.268  9.7901  238.729 2.2949 243.570 2.5639 -4.840866      3.440975 
1 1 1 7  5  36 o 120.831 1.2028 114.456  2.2784  115.365  3.0789  113.356  3.3873  121.304 1.6191 120.240 1.7970 1.063950       2.418815 
1 1 1 7  5  37 o 269.022 1.8573 567.453  7.8331  569.999  10.634  564.432  11.582  269.591 2.5162 268.257 2.7541 1.334259       3.730423 
1 1 1 7  5  38 o 253.627 1.7770 504.357  7.0655  501.132  9.5019  508.346  10.567  252.785 2.3978 254.584 2.6477 -1.798767      3.572030 
1 1 1 7  5  39 o 327.836 2.1797 842.808  11.202  857.441  15.409  826.404  16.315  330.607 2.9731 324.546 3.2067 6.060516       4.372869 
1 1 1 7  5  40 o 197.519 1.4274 305.862  4.4197  303.500  6.2183  308.274  6.2832  196.735 2.0162 198.276 2.0214 -1.541336      2.855025 
1 1 1 7  5  41 o 149.553 1.2345 175.340  2.8943  175.713  4.1064  174.971  4.0800  149.700 1.7498 149.384 1.7422 0.3163605      2.469203 
1 1 1 7  5  42 o 145.479 1.2883 165.922  2.9380  171.602  4.5012  161.705  3.8781  147.932 1.9409 143.609 1.7226 4.323044       2.595112 
1 1 1 7  5  43 o 286.916 1.9537 645.538  8.7874  645.709  13.089  645.397  11.856  286.878 2.9105 286.834 2.6368 0.4461670E-01  3.927246 
1 1 1 7  5  44 o 134.343 1.2910 141.495  2.7188  138.385  4.2571  143.637  3.5333  132.838 2.0443 135.347 1.6652 -2.508652      2.636667 
1 1 1 7  5  45 o 93.568  1.2420 68.638   1.8218  69.181   2.8192  68.248   2.3873  93.924  1.9147 93.295  1.6322 0.6292572      2.515986 
1 1 1 7  5  46 o 244.137 1.8876 467.419  7.2244  464.559  10.843  469.702  9.6883  243.312 2.8426 244.684 2.5257 -1.372223      3.802605 
1 1 1 7  5  47 o 120.278 1.2826 113.424  2.4185  111.100  3.6572  115.230  3.2240  119.019 1.9601 121.220 1.6966 -2.200661      2.592368 
1 1 1 7  5  48 o 169.449 1.3964 225.137  3.7094  226.165  5.3075  224.155  5.1863  169.807 1.9938 169.053 1.9570 0.7543030      2.793742 
1 1 1 7  5  49 o 241.923 1.8819 459.058  7.1373  454.346  9.4416  465.342  10.903  240.616 2.5030 243.467 2.8565 -2.850937      3.798024 
1 1 1 7  5  50 o 112.126 1.1569 98.574   2.0335  98.813   2.5222  98.131   3.4373  112.253 1.4333 111.844 1.9604 0.4089737      2.428481 
1 1 1 7  5  51 o 144.880 1.4309 164.610  3.2499  164.650  4.4352  164.563  4.7758  144.866 1.9530 144.817 2.1037 0.4879761E-01  2.870439 
1 1 1 7  5  52 o 105.775 1.2663 87.737   2.0998  88.048   3.0101  87.442   2.9305  105.937 1.8125 105.574 1.7706 0.3629608      2.533844 
1 1 1 7  5  53 o 20.816  3.0038 3.4762   0.9519  3.8367   1.3936  3.1609   1.3032  21.691  4.2503 19.641  4.3475 2.050129       6.079927 
1 1 1 7  5  54 o 265.044 2.0545 551.493  8.5363  542.371  11.300  563.617  13.028  262.683 2.7440 267.674 3.1047 -4.991241      4.143513 
1 1 1 7  5  55 o 71.416  1.4486 40.013   1.6218  41.093   2.1213  38.493   2.5158  72.353  1.8703 70.001  2.2926 2.352234       2.958667 
1 1 1 7  5  56 o 29.412  2.5469 6.8520   1.1628  6.5914   1.2896  7.9847   2.6885  28.798  2.8958 31.211  5.7051 -2.412523      6.397949 
1 1 1 7  5  57 o 45.715  1.7544 16.407   1.2573  17.701   1.8065  15.192   1.7511  47.385  2.4402 43.877  2.5568 3.508141       3.534395 
1 1 1 7  5  58 o 119.434 1.2765 111.913  2.3901  110.821  3.1713  113.349  3.6364  118.806 1.7027 120.126 1.9310 -1.319283      2.574478 
1 1 1 7  5  59 o 53.909  1.5359 22.813   1.2980  22.232   1.5721  24.059   2.3008  53.198  1.8851 55.281  2.6549 -2.082722      3.256068 
1 1 1 7  5  60 o 149.216 1.4246 174.763  3.3325  175.482  4.2636  173.635  5.3427  149.458 1.8197 148.573 2.2939 0.8857574      2.927980 
1 1 1 7  5  61 o 144.941 1.4635 164.924  3.3253  165.976  4.3823  163.495  5.1055  145.321 1.9236 144.158 2.2592 1.163574       2.967178 
1 1 1 7  5  62 o 94.144  1.3326 69.567   1.9668  68.538   2.5366  71.119   3.1143  93.400  1.7324 95.092  2.0891 -1.692001      2.713993 
1 1 1 7  5  63 o 108.447 1.4967 92.355   2.5445  93.279   3.6514  91.484   3.5478  108.883 2.1391 107.838 2.0986 1.045181       2.996670 
1 1 1 7  5  64 o 55.246  1.9115 24.000   1.6555  24.844   2.5606  23.395   2.1700  56.014  2.9261 54.478  2.5409 1.536263       3.875383 
1 1 1 7  5  65 o 52.884  1.8384 21.991   1.5241  20.639   2.4269  22.871   1.9584  51.003  3.0493 53.882  2.3186 -2.878696      3.830644 
1 1 1 7  5  66 o 50.176  1.8291 19.801   1.4388  21.353   2.4316  18.964   1.7847  51.873  3.0029 49.054  2.3208 2.819759       3.795260 
1 1 1 7  5  67 o 63.073  1.5253 31.262   1.5081  31.633   2.2469  30.958   2.0345  63.349  2.2625 62.698  2.0699 0.6509819      3.066527 
1 1 1 7  5  68 o 8.8128  3.7532 0.0112   0.9105  -0.1524  1.4476  0.1182   1.1712  10.744  4.6558 10.193  4.2948 0.5511475      6.334136 
1 1 1 7  5  69 o 28.309  2.1088 6.3526   0.9291  4.5602   1.5175  7.4276   1.1752  23.498  4.2770 30.563  2.4740 -7.064550      4.940972 
1 1 1 7  5  70 o 63.453  1.8861 31.722   1.8761  30.827   2.4821  32.915   2.8655  62.422  2.5365 64.427  2.8371 -2.005249      3.805640 
1 1 1 7  5  71 o 118.727 1.7623 111.039  3.2801  111.049  4.4676  111.027  4.8313  118.480 2.4053 118.376 2.6034 0.1042633      3.544476 
1 1 1 7  5  72 o 20.514  3.9204 3.4928   1.2148  4.9919   1.5664  1.2306   1.9243  24.536  4.2248 14.776  5.7601 9.759841       7.143374 
1 1 1 7  5  73 o 45.068  2.0762 16.055   1.4668  15.283   1.9104  17.164   2.2896  43.736  2.8010 46.237  3.1781 -2.500862      4.236223 
1 1 1 7  5  74 o 23.615  3.2255 4.5463   1.1628  4.9568   1.4434  3.7871   1.9630  24.475  3.8921 20.887  5.7925 3.588234       6.978623 
1 1 1 7  5  75 o 39.033  2.7804 12.222   1.6902  11.552   2.6344  12.690   2.2036  37.210  4.6153 39.478  3.6002 -2.267834      5.853380 
1 1 1 7  5  76 f 14.412  5.1661 1.5504   1.4822  1.9072   2.2966  1.2958   1.9404  16.613  6.3407 14.737  5.7732 1.876930       8.575267 
1 1 1 7  5  77 o 28.628  4.0248 6.8273   1.7564  6.3085   2.5069  7.3276   2.4616  26.541  6.1461 28.923  5.6316 -2.381294      8.336033 
1 1 1 7  5  78 o 61.565  3.0028 30.509   2.8981  29.374   5.3453  30.981   3.4490  58.008  5.9629 61.605  3.5868 -3.597027      6.958518 
1 1 1 7  5  79 o 22.461  4.4443 4.3210   1.5095  5.2256   2.5577  3.8375   1.8698  23.814  6.6149 20.758  5.6118 3.056278       8.674601 
1 1 1 7  5  80 o 33.922  2.9845 9.3463   1.5709  13.302   2.7799  7.4905   1.9041  39.669  4.5526 29.833  4.1867 9.836544       6.185040 
1 1 1 7  5  81 o 13.247  5.3131 0.9406   1.6806  0.6021   2.5011  1.2192   2.2692  14.560  6.2111 15.046  6.1238 -0.4863253     8.722329 
1 1 1 7  5  82 o 20.944  6.0399 4.0317   2.0923  6.4711   2.5970  -0.4812  3.5323  26.361  6.3578 15.307  6.9138 11.05406       9.392673 
1 1 1 7  5  83 o 13.719  5.7284 0.7985   2.0545  -1.9268  2.4682  6.9456   3.7069  11.413  5.3699 25.858  8.1707 -14.44532      9.777371 
1 1 1 7  5  84 o 12.031  5.3040 -0.0555  1.9506  1.3898   2.3912  -2.9306  3.3726  15.236  6.2534 12.706  6.0644 2.530399       8.710999 
1 1 1 7  6  0  o 561.279 4.7900 2470.48  42.141  2470.48  42.141  2470.48  42.141  561.279 4.7900 561.279 4.7900 0.000000       0.000000 
1 1 1 7  6  1  o 178.730 1.4072 250.403  3.9428  246.761  5.2719  255.026  5.9396  177.423 1.8954 180.368 2.1006 -2.945374      2.829339 
1 1 1 7  6  2  o 556.656 3.3596 2429.42  29.318  2415.43  41.202  2443.76  41.726  554.985 4.7357 558.229 4.7680 -3.243469      6.720181 
1 1 1 7  6  3  o 363.602 2.2794 1036.40  12.993  1046.58  18.571  1026.63  18.184  365.363 3.2422 361.866 3.2055 3.497131       4.559312 
1 1 1 7  6  4  o 139.710 1.2032 153.000  2.6352  148.883  3.6596  157.434  3.7977  137.815 1.6939 141.718 1.7094 -3.902328      2.406508 
1 1 1 7  6  5  o 258.146 1.7965 522.378  7.2701  528.593  10.916  517.423  9.7461  259.666 2.6816 256.911 2.4199 2.754456       3.612033 
1 1 1 7  6  6  o 318.704 2.2255 796.246  11.119  785.652  15.563  807.292  15.891  316.560 3.1360 320.890 3.1590 -4.329590      4.451276 
1 1 1 7  6  7  o 255.271 1.7006 510.807  6.8055  520.075  9.7834  502.118  9.4728  257.568 2.4230 253.083 2.3876 4.485397       3.401676 
1 1 1 7  6  8  o 201.441 1.4428 318.083  4.5563  326.541  6.5819  310.301  6.3137  204.096 2.0571 198.957 2.0243 5.139389       2.886076 
1 1 1 7  6  9  o 457.731 2.8005 1642.57  20.096  1696.23  29.324  1595.05  27.595  465.103 4.0218 451.023 3.9028 14.08054       5.604125 
1 1 1 7  6  10 o 286.379 1.8607 642.898  8.3534  632.661  11.638  653.775  11.997  284.079 2.6133 288.779 2.6500 -4.700592      3.721851 
1 1 1 7  6  11 o 163.716 1.2969 210.099  3.3285  204.896  4.6208  215.710  4.7986  161.673 1.8232 165.885 1.8453 -4.211517      2.594016 
1 1 1 7  6  12 o 201.290 1.4490 317.607  4.5724  319.422  6.4966  315.826  6.4365  201.859 2.0530 200.720 2.0455 1.139328       2.898087 
1 1 1 7  6  13 o 781.197 4.6540 4786.06  56.995  4773.50  80.347  4798.79  80.862  779.963 6.5711 782.024 6.5959 -2.060242      9.310492 
1 1 1 7  6  14 o 377.066 2.5762 1114.63  15.228  1116.99  21.577  1112.29  21.496  377.433 3.6467 376.638 3.6406 0.7946777      5.152901 
1 1 1 7  6  15 o 507.047 3.0797 2015.71  24.480  1990.58  34.179  2042.17  35.079  503.817 4.3274 510.300 4.3850 -6.483429      6.160768 
1 1 1 7  6  16 o 333.174 2.2123 870.206  11.555  873.828  17.202  867.229  15.598  333.840 3.2868 332.585 2.9917 1.254578       4.444477 
1 1 1 7  6  17 o 277.427 1.8226 603.338  7.9265  604.942  11.231  601.747  11.189  277.782 2.5790 277.048 2.5762 0.7344055      3.645272 
1 1 1 7  6  18 o 595.395 3.5849 2779.69  33.461  2801.75  47.708  2758.32  46.942  597.641 5.0921 592.995 5.0496 4.645935       7.171361 
1 1 1 7  6  19 o 266.508 1.8469 556.785  7.7162  570.632  10.662  541.558  11.181  269.789 2.5210 262.822 2.7137 6.966888       3.703988 
1 1 1 7  6  20 o 400.458 2.4854 1257.25  15.603  1287.10  22.583  1229.99  21.584  405.142 3.5556 396.055 3.4763 9.086914       4.972617 
1 1 1 7  6  21 o 472.489 2.8871 1750.36  21.385  1757.79  30.346  1743.04  30.140  473.423 4.0888 471.434 4.0782 1.989288       5.774981 
1 1 1 7  6  22 o 147.634 1.2934 170.852  2.9935  169.433  4.0115  172.635  4.4968  147.016 1.7405 148.397 1.9330 -1.381088      2.601141 
1 1 1 7  6  23 o 229.766 1.6553 413.847  5.9623  403.773  7.8900  427.257  9.1034  226.943 2.2177 233.443 2.4875 -6.500732      3.332582 
1 1 1 7  6  24 o 109.223 1.1869 93.514   2.0323  96.707   2.7913  89.912   2.9648  111.069 1.6031 107.095 1.7660 3.974174       2.385050 
1 1 1 7  6  25 o 337.389 2.4674 892.494  13.051  889.823  17.444  895.890  19.668  336.847 3.3034 337.971 3.7121 -1.124420      4.969137 
1 1 1 7  6  26 o 457.086 2.9294 1638.34  20.991  1632.50  28.325  1645.46  31.264  456.190 3.9607 457.960 4.3547 -1.769348      5.886467 
1 1 1 7  6  27 o 275.043 1.9893 593.086  8.5776  588.973  12.053  597.307  12.209  274.059 2.8055 275.990 2.8219 -1.931366      3.979179 
1 1 1 7  6  28 o 376.495 2.8876 1111.61  17.043  1086.56  23.574  1139.05  24.669  372.140 4.0408 381.015 4.1301 -8.874847      5.778069 
1 1 1 7  6  29 o 115.901 1.3462 105.304  2.4460  106.084  3.7297  104.716  3.2400  116.320 2.0453 115.571 1.7883 0.7487793      2.716899 
1 1 1 7  6  30 o 221.108 1.8775 383.303  6.5079  372.521  8.9938  395.153  9.4287  217.949 2.6323 224.470 2.6794 -6.520981      3.756072 
1 1 1 7  6  31 o 36.572  1.6875 10.486   0.9675  10.334   1.3146  10.666   1.4291  36.227  2.3270 36.796  2.4922 -0.5689659     3.409707 
1 1 1 7  6  32 o 262.700 1.9246 541.088  7.9258  537.380  10.140  546.913  12.708  261.775 2.4708 264.053 3.0699 -2.278137      3.940742 
1 1 1 7  6  33 o 316.536 2.3572 785.717  11.697  793.336  15.817  776.521  17.377  318.009 3.1727 314.591 3.5234 3.418091       4.741372 
1 1 1 7  6  34 o 141.028 1.4282 155.924  3.1576  152.410  4.1576  160.713  4.8538  139.421 1.9022 143.162 2.1627 -3.740875      2.880264 
1 1 1 7  6  35 o 97.431  1.2735 74.419   1.9451  74.575   2.7531  74.263   2.7485  97.526  1.8007 97.322  1.8015 0.2038651      2.547121 
1 1 1 7  6  36 o 57.319  1.4212 25.757   1.2770  26.254   2.0098  25.420   1.6537  57.862  2.2157 56.939  1.8527 0.9231186      2.888226 
1 1 1 7  6  37 o 128.735 1.2875 129.922  2.5984  126.460  3.6175  133.611  3.7346  126.999 1.8170 130.540 1.8249 -3.540955      2.575240 
1 1 1 7  6  38 o 199.528 1.5740 312.131  4.9234  304.870  6.8414  319.931  7.0908  197.171 2.2133 201.981 2.2394 -4.810364      3.148597 
1 1 1 7  6  39 o 155.499 1.3747 189.565  3.3511  187.668  4.7065  191.516  4.7724  154.704 1.9406 156.281 1.9479 -1.577530      2.749636 
1 1 1 7  6  40 o 101.274 1.2314 80.407   1.9550  78.136   2.7269  82.809   2.8043  99.826  1.7425 102.768 1.7407 -2.941704      2.462957 
1 1 1 7  6  41 o 96.289  1.2334 72.687   1.8618  71.379   2.6089  74.044   2.6578  95.411  1.7442 97.176  1.7446 -1.765076      2.466989 
1 1 1 7  6  42 o 133.972 1.2529 140.712  2.6314  141.874  3.6126  139.400  3.8406  134.513 1.7132 133.331 1.8374 1.181473       2.512179 
1 1 1 7  6  43 o 65.045  1.2575 33.169   1.2822  33.645   1.8060  32.686   1.8207  65.503  1.7587 64.563  1.7989 0.9406128      2.515804 
1 1 1 7  6  44 o 65.959  1.3606 34.109   1.4068  32.378   1.8026  36.807   2.2501  64.257  1.7895 68.505  2.0952 -4.247902      2.755386 
1 1 1 7  6  45 o 50.311  1.5436 19.848   1.2175  20.283   1.5903  19.231   1.8925  50.855  1.9947 49.511  2.4383 1.343975       3.150285 
1 1 1 7  6  46 o 73.489  1.3036 42.343   1.5018  41.081   1.9349  44.257   2.3820  72.378  1.7052 75.117  2.0228 -2.738426      2.645660 
1 1 1 7  6  47 o 158.761 1.5785 197.652  3.9287  195.035  5.5171  200.343  5.5957  157.672 2.2321 159.803 2.2337 -2.131363      3.157742 
1 1 1 7  6  48 o 102.121 1.2828 81.769   2.0536  81.453   3.1063  82.015   2.7371  101.902 1.9445 102.261 1.7074 -0.3594208     2.587730 
1 1 1 7  6  49 o 38.935  1.7006 11.890   1.0380  12.059   1.6877  11.787   1.3164  39.092  2.7719 38.697  2.1788 0.3958702      3.525707 
1 1 1 7  6  50 o 80.576  1.2701 50.912   1.6044  52.387   2.6184  50.025   2.0301  81.709  2.0442 79.861  1.6215 1.847542       2.609219 
1 1 1 7  6  51 o 161.955 1.5340 205.737  3.8946  199.423  6.1572  209.947  5.0284  159.365 2.4645 163.569 1.9610 -4.203995      3.149503 
1 1 1 7  6  52 o 204.197 1.9339 327.239  6.1907  324.843  9.3453  329.112  8.2639  203.284 2.9325 204.682 2.5754 -1.398178      3.902873 
1 1 1 7  6  53 o 120.561 1.5267 114.031  2.8855  112.940  4.3359  114.898  3.8658  119.915 2.3065 120.977 2.0384 -1.061607      3.078102 
1 1 1 7  6  54 o 51.238  1.7105 20.604   1.3740  19.028   2.0427  21.906   1.8568  49.125  2.6624 52.808  2.2428 -3.683239      3.481210 
1 1 1 7  6  55 o 39.197  2.0400 12.099   1.2492  12.964   1.8878  11.426   1.6661  40.472  2.9968 38.004  2.8166 2.467861       4.112699 
1 1 1 7  6  56 o 70.916  2.0093 39.504   2.2338  38.114   3.6230  40.357   2.8373  69.529  3.3239 71.633  2.5266 -2.104202      4.175138 
1 1 1 7  6  57 o 62.392  1.5006 30.553   1.4678  28.254   2.0871  32.803   2.0646  59.952  2.2206 64.613  2.0383 -4.660828      3.014248 
1 1 1 7  6  58 o 118.755 1.3668 110.673  2.5446  110.902  3.4860  110.411  3.7228  118.817 1.8715 118.535 2.0034 0.2823715      2.741570 
1 1 1 7  6  59 o 105.728 1.2741 87.717   2.1118  88.057   2.8078  87.276   3.2045  105.888 1.6915 105.385 1.9397 0.5028763      2.573598 
1 1 1 7  6  60 o 45.225  1.5039 16.059   1.0662  16.253   1.4742  15.845   1.5439  45.465  2.0684 44.882  2.1943 0.5835762      3.015510 
1 1 1 7  6  61 o 82.993  1.3371 54.065   1.7397  53.928   2.5447  54.185   2.3838  82.821  1.9599 83.035  1.8313 -0.2131958     2.682316 
1 1 1 7  6  62 o 29.302  2.1618 6.7927   0.9860  6.9633   1.2136  6.4615   1.6914  29.604  2.6427 28.272  3.9220 1.331760       4.729279 
1 1 1 7  6  63 o 96.242  1.4611 72.740   2.2044  73.367   2.4938  70.503   4.7144  96.631  1.6463 94.417  3.1851 2.214066       3.585414 
1 1 1 7  6  64 o 40.417  2.1876 12.899   1.3809  12.138   1.7378  14.204   2.2748  39.099  2.8548 42.192  3.4700 -3.092281      4.493409 
1 1 1 7  6  65 f 37.252  2.1061 10.961   1.2249  11.365   1.7158  10.541   1.7492  37.804  2.9178 36.366  3.0978 1.437790       4.255545 
1 1 1 7  6  66 o 27.613  2.7523 6.0848   1.1756  6.0037   1.8465  6.1401   1.5244  27.034  4.5162 27.566  3.6148 -0.5316963     5.784681 
1 1 1 7  6  67 o 55.299  1.7046 24.053   1.4777  25.919   2.3342  22.805   1.9090  57.273  2.5998 53.774  2.2645 3.498577       3.447699 
1 1 1 7  6  68 o 34.518  2.2313 9.4385   1.2009  6.8922   1.8703  11.225   1.5666  29.031  4.2341 37.574  2.6771 -8.542498      5.009442 
1 1 1 7  6  69 o 8.0282  3.6209 -0.4797  0.9648  -0.6293  1.3886  -0.3401  1.3415  9.6838  4.3579 9.9688  4.3966 -0.2849941     6.190443 
1 1 1 7  6  70 o 19.927  3.3511 3.2498   1.0097  3.5461   1.4752  2.9885   1.3849  20.527  4.6871 18.837  4.7040 1.689955       6.640543 
1 1 1 7  6  71 o 92.142  1.3762 66.770   1.9879  66.802   2.8491  66.740   2.7749  92.002  1.9754 91.976  1.9245 0.2672577E-01  2.757874 
1 1 1 7  6  72 o 35.569  1.9575 10.020   1.0873  9.3082   1.5531  10.705   1.5228  34.056  2.9378 36.609  2.6718 -2.553116      3.971026 
1 1 1 7  6  73 o 61.616  1.6991 29.943   1.6412  28.692   1.9896  32.608   2.9036  60.214  2.1077 63.923  2.8975 -3.708336      3.583004 
1 1 1 7  6  74 o 34.557  2.4185 9.5356   1.3020  9.4460   1.5940  9.7152   2.2567  34.226  3.0012 34.226  4.3009 -0.4653931E-03 5.244457 
1 1 1 7  6  75 o 38.592  2.8039 11.972   1.6848  13.114   2.4077  10.876   2.3583  39.954  3.8936 36.202  4.2355 3.752136       5.753173 
1 1 1 7  6  76 o 11.762  4.8313 0.5095   1.4288  0.8512   2.0388  0.1796   2.0029  14.073  5.7748 12.856  5.5230 1.216856       7.990747 
1 1 1 7  6  77 o 47.777  2.6689 18.326   1.9910  19.068   3.1718  17.843   2.5576  47.876  4.2709 46.739  3.5163 1.137306       5.532175 
1 1 1 7  6  78 o 27.837  4.1683 6.5196   1.7630  8.5199   2.8462  5.2742   2.2457  30.822  6.1065 24.190  5.9606 6.631605       8.533327 
1 1 1 7  6  79 o 24.991  5.0510 5.4537   1.9108  5.8010   2.7699  5.1383   2.6393  24.889  6.8727 23.489  6.7864 1.400127       9.658685 
1 1 1 7  6  80 o 35.386  3.7198 10.378   2.0326  9.7500   2.8941  10.990   2.8553  33.076  5.7924 35.493  5.2936 -2.416218      7.846909 
1 1 1 7  6  81 o 20.827  5.7601 3.9477   1.9439  1.8060   2.7385  6.1228   2.7598  16.743  6.7586 25.381  6.7992 -8.638496      9.586796 
1 1 1 7  6  82 o 23.128  4.5529 4.6666   1.5920  2.8489   2.6091  5.7449   2.0095  18.278  6.8054 25.352  5.2298 -7.073786      8.582743 
1 1 1 7  6  83 o 38.014  3.4193 11.997   2.0158  9.7065   2.8496  14.292   2.8521  32.539  5.7989 40.680  4.5502 -8.140354      7.371034 
1 1 1 7  7  0  o 178.508 2.7467 249.958  7.6822  249.958  7.6822  249.958  7.6822  178.508 2.7467 178.508 2.7467 0.000000       0.000000 
1 1 1 7  7  1  o 497.132 4.2800 1938.01  33.350  1938.01  33.350  1938.01  33.350  497.132 4.2800 497.132 4.2800 0.000000       0.000000 
1 1 1 7  7  2  o 370.269 3.2824 1075.02  19.049  1075.02  19.049  1075.02  19.049  370.269 3.2824 370.269 3.2824 0.000000       0.000000 
1 1 1 7  7  3  o 159.411 1.8356 199.273  4.5859  199.273  4.5859  199.273  4.5859  159.411 1.8356 159.411 1.8356 0.000000       0.000000 
1 1 1 7  7  4  o 245.752 2.3622 473.553  9.0989  473.553  9.0989  473.553  9.0989  245.752 2.3622 245.752 2.3622 0.000000       0.000000 
1 1 1 7  7  5  o 138.099 1.7284 149.563  3.7405  149.563  3.7405  149.563  3.7405  138.099 1.7284 138.099 1.7284 0.000000       0.000000 
1 1 1 7  7  6  o 149.254 2.2100 174.737  5.1683  174.737  5.1683  174.737  5.1683  149.254 2.2100 149.254 2.2100 0.000000       0.000000 
1 1 1 7  7  7  o 599.126 5.1034 2815.09  47.925  2815.09  47.925  2815.09  47.925  599.126 5.1034 599.126 5.1034 0.000000       0.000000 
1 1 1 7  7  8  o 610.834 5.1975 2926.24  49.762  2926.24  49.762  2926.24  49.762  610.834 5.1975 610.834 5.1975 0.000000       0.000000 
1 1 1 7  7  9  o 350.099 3.1306 961.089  17.179  961.089  17.179  961.089  17.179  350.099 3.1306 350.099 3.1306 0.000000       0.000000 
1 1 1 7  7  10 o 587.462 5.0111 2706.56  46.142  2706.56  46.142  2706.56  46.142  587.462 5.0111 587.462 5.0111 0.000000       0.000000 
1 1 1 7  7  11 o 159.844 1.8423 200.359  4.6150  200.359  4.6150  200.359  4.6150  159.844 1.8423 159.844 1.8423 0.000000       0.000000 
1 1 1 7  7  12 o 114.944 1.6743 103.630  3.0155  103.630  3.0155  103.630  3.0155  114.944 1.6743 114.944 1.6743 0.000000       0.000000 
1 1 1 7  7  13 o 125.730 1.7015 123.982  3.3523  123.982  3.3523  123.982  3.3523  125.730 1.7015 125.730 1.7015 0.000000       0.000000 
1 1 1 7  7  14 o 740.234 6.2551 4298.30  72.576  4298.30  72.576  4298.30  72.576  740.234 6.2551 740.234 6.2551 0.000000       0.000000 
1 1 1 7  7  15 o 473.393 4.0981 1757.41  30.408  1757.41  30.408  1757.41  30.408  473.393 4.0981 473.393 4.0981 0.000000       0.000000 
1 1 1 7  7  16 o 495.181 4.6810 1923.16  36.330  1923.16  36.330  1923.16  36.330  495.181 4.6810 495.181 4.6810 0.000000       0.000000 
1 1 1 7  7  17 o 50.890  2.0878 20.403   1.6593  20.403   1.6593  20.403   1.6593  50.890  2.0878 50.890  2.0878 0.000000       0.000000 
1 1 1 7  7  18 f 518.902 4.4629 2111.73  36.298  2111.73  36.298  2111.73  36.298  518.902 4.4629 518.902 4.4629 0.000000       0.000000 
1 1 1 7  7  19 o 271.169 2.7952 576.639  11.880  576.639  11.880  576.639  11.880  271.169 2.7952 271.169 2.7952 0.000000       0.000000 
1 1 1 7  7  20 o 348.886 3.1224 954.499  17.074  954.499  17.074  954.499  17.074  348.886 3.1224 348.886 3.1224 0.000000       0.000000 
1 1 1 7  7  21 o 102.085 1.6449 81.754   2.6309  81.754   2.6309  81.754   2.6309  102.085 1.6449 102.085 1.6449 0.000000       0.000000 
1 1 1 7  7  22 o 423.077 3.7020 1403.77  24.549  1403.77  24.549  1403.77  24.549  423.077 3.7020 423.077 3.7020 0.000000       0.000000 
1 1 1 7  7  23 o 321.329 2.9149 809.695  14.681  809.695  14.681  809.695  14.681  321.329 2.9149 321.329 2.9149 0.000000       0.000000 
1 1 1 7  7  24 o 519.861 4.4719 2119.95  36.438  2119.95  36.438  2119.95  36.438  519.861 4.4719 519.861 4.4719 0.000000       0.000000 
1 1 1 7  7  25 f 263.979 2.7224 546.507  11.264  546.507  11.264  546.507  11.264  263.979 2.7224 263.979 2.7224 0.000000       0.000000 
1 1 1 7  7  26 o 35.514  2.6720 10.055   1.4682  10.055   1.4682  10.055   1.4682  35.514  2.6720 35.514  2.6720 0.000000       0.000000 
1 1 1 7  7  27 o 322.126 3.2097 813.874  16.205  813.874  16.205  813.874  16.205  322.126 3.2097 322.126 3.2097 0.000000       0.000000 
1 1 1 7  7  28 o 34.402  3.4580 9.5586   1.8217  9.5586   1.8217  9.5586   1.8217  34.402  3.4580 34.402  3.4580 0.000000       0.000000 
1 1 1 7  7  29 o 301.753 3.3811 714.297  15.990  714.297  15.990  714.297  15.990  301.753 3.3811 301.753 3.3811 0.000000       0.000000 
1 1 1 7  7  30 o 104.938 1.9690 86.420   3.2366  86.420   3.2366  86.420   3.2366  104.938 1.9690 104.938 1.9690 0.000000       0.000000 
1 1 1 7  7  31 o 26.654  3.8206 5.9052   1.5013  5.9052   1.5013  5.9052   1.5013  26.654  3.8206 26.654  3.8206 0.000000       0.000000 
1 1 1 7  7  32 o 22.926  4.5804 4.5833   1.4609  4.5833   1.4609  4.5833   1.4609  22.926  4.5804 22.926  4.5804 0.000000       0.000000 
1 1 1 7  7  33 o 66.236  2.0822 34.497   2.1572  34.497   2.1572  34.497   2.1572  66.236  2.0822 66.236  2.0822 0.000000       0.000000 
1 1 1 7  7  34 o 110.657 1.6721 96.059   2.8992  96.059   2.8992  96.059   2.8992  110.657 1.6721 110.657 1.6721 0.000000       0.000000 
1 1 1 7  7  35 o 88.437  1.8183 61.393   2.5185  61.393   2.5185  61.393   2.5185  88.437  1.8183 88.437  1.8183 0.000000       0.000000 
1 1 1 7  7  36 o 265.682 2.7589 553.684  11.488  553.684  11.488  553.684  11.488  265.682 2.7589 265.682 2.7589 0.000000       0.000000 
1 1 1 7  7  37 o 163.087 2.0454 208.626  5.2276  208.626  5.2276  208.626  5.2276  163.087 2.0454 163.087 2.0454 0.000000       0.000000 
1 1 1 7  7  38 o 155.782 2.2729 190.400  5.5481  190.400  5.5481  190.400  5.5481  155.782 2.2729 155.782 2.2729 0.000000       0.000000 
1 1 1 7  7  39 o 202.141 2.9574 320.660  9.3671  320.660  9.3671  320.660  9.3671  202.141 2.9574 202.141 2.9574 0.000000       0.000000 
1 1 1 7  7  40 o 138.991 2.4966 151.633  5.4359  151.633  5.4359  151.633  5.4359  138.991 2.4966 138.991 2.4966 0.000000       0.000000 
1 1 1 7  7  41 o 20.957  6.6783 4.3552   1.9326  4.3552   1.9326  4.3552   1.9326  20.957  6.6783 20.957  6.6783 0.000000       0.000000 
1 1 1 7  7  42 o 32.974  3.0668 8.7472   1.5537  8.7472   1.5537  8.7472   1.5537  32.974  3.0668 32.974  3.0668 0.000000       0.000000 
1 1 1 7  7  43 o 104.607 1.7932 85.869   2.9388  85.869   2.9388  85.869   2.9388  104.607 1.7932 104.607 1.7932 0.000000       0.000000 
1 1 1 7  7  44 o 182.137 2.1374 260.240  6.1011  260.240  6.1011  260.240  6.1011  182.137 2.1374 182.137 2.1374 0.000000       0.000000 
1 1 1 7  7  45 o 171.854 2.0724 231.694  5.5813  231.694  5.5813  231.694  5.5813  171.854 2.0724 171.854 2.0724 0.000000       0.000000 
1 1 1 7  7  46 o 6.7628  4.5000 -0.3933  1.2826  -0.3933  1.2826  -0.3933  1.2826  6.7628  4.5000 6.7628  4.5000 0.000000       0.000000 
1 1 1 7  7  47 o 14.027  5.8477 2.1780   1.2850  2.1780   1.2850  2.1780   1.2850  14.027  5.8477 14.027  5.8477 0.000000       0.000000 
1 1 1 7  7  48 o 122.021 1.6675 116.817  3.1884  116.817  3.1884  116.817  3.1884  122.021 1.6675 122.021 1.6675 0.000000       0.000000 
1 1 1 7  7  49 o 20.047  4.4741 3.5897   1.2282  3.5897   1.2282  3.5897   1.2282  20.047  4.4741 20.047  4.4741 0.000000       0.000000 
1 1 1 7  7  50 o 224.586 2.2237 395.836  7.8272  395.836  7.8272  395.836  7.8272  224.586 2.2237 224.586 2.2237 0.000000       0.000000 
1 1 1 7  7  51 o 8.2038  4.8408 0.5969   1.0656  0.5969   1.0656  0.5969   1.0656  8.2038  4.8408 8.2038  4.8408 0.000000       0.000000 
1 1 1 7  7  52 o 52.536  1.9066 21.738   1.5655  21.738   1.5655  21.738   1.5655  52.536  1.9066 52.536  1.9066 0.000000       0.000000 
1 1 1 7  7  53 o 92.428  1.6975 67.083   2.4578  67.083   2.4578  67.083   2.4578  92.428  1.6975 92.428  1.6975 0.000000       0.000000 
1 1 1 7  7  54 o 119.213 2.1880 111.675  4.0860  111.675  4.0860  111.675  4.0860  119.213 2.1880 119.213 2.1880 0.000000       0.000000 
1 1 1 7  7  55 o 170.058 2.4073 227.278  6.4149  227.278  6.4149  227.278  6.4149  170.058 2.4073 170.058 2.4073 0.000000       0.000000 
1 1 1 7  7  56 o 23.613  4.3059 4.8080   1.4371  4.8080   1.4371  4.8080   1.4371  23.613  4.3059 23.613  4.3059 0.000000       0.000000 
1 1 1 7  7  57 o 86.972  1.8817 59.462   2.5629  59.462   2.5629  59.462   2.5629  86.972  1.8817 86.972  1.8817 0.000000       0.000000 
1 1 1 7  7  58 o 109.176 1.8750 93.663   3.2070  93.663   3.2070  93.663   3.2070  109.176 1.8750 109.176 1.8750 0.000000       0.000000 
1 1 1 7  7  59 o 65.555  1.9442 33.837   1.9940  33.837   1.9940  33.837   1.9940  65.555  1.9442 65.555  1.9442 0.000000       0.000000 
1 1 1 7  7  60 o 32.115  2.9181 8.3188   1.4412  8.3188   1.4412  8.3188   1.4412  32.115  2.9181 32.115  2.9181 0.000000       0.000000 
1 1 1 7  7  61 f 87.609  1.8551 60.363   2.5453  60.363   2.5453  60.363   2.5453  87.609  1.8551 87.609  1.8551 0.000000       0.000000 
1 1 1 7  7  62 o 83.122  1.8476 54.353   2.4049  54.353   2.4049  54.353   2.4049  83.122  1.8476 83.122  1.8476 0.000000       0.000000 
1 1 1 7  7  63 o 24.492  3.9051 5.0878   1.3851  5.0878   1.3851  5.0878   1.3851  24.492  3.9051 24.492  3.9051 0.000000       0.000000 
1 1 1 7  7  64 o 51.302  2.0420 20.790   1.6363  20.790   1.6363  20.790   1.6363  51.302  2.0420 51.302  2.0420 0.000000       0.000000 
1 1 1 7  7  65 o 20.587  7.0144 4.4092   2.0305  4.4092   2.0305  4.4092   2.0305  20.587  7.0144 20.587  7.0144 0.000000       0.000000 
1 1 1 7  7  66 o 22.426  5.9164 4.7685   1.7971  4.7685   1.7971  4.7685   1.7971  22.426  5.9164 22.426  5.9164 0.000000       0.000000 
1 1 1 7  7  67 o 42.542  3.0762 14.535   2.0269  14.535   2.0269  14.535   2.0269  42.542  3.0762 42.542  3.0762 0.000000       0.000000 
1 1 1 7  7  68 o 82.146  2.4138 53.365   3.1023  53.365   3.1023  53.365   3.1023  82.146  2.4138 82.146  2.4138 0.000000       0.000000 
1 1 1 7  7  69 o 65.807  2.6335 34.392   2.7069  34.392   2.7069  34.392   2.7069  65.807  2.6335 65.807  2.6335 0.000000       0.000000 
1 1 1 7  7  70 o 33.651  3.1683 9.2264   1.6374  9.2264   1.6374  9.2264   1.6374  33.651  3.1683 33.651  3.1683 0.000000       0.000000 
1 1 1 7  7  71 o 33.346  3.3116 9.1100   1.6920  9.1100   1.6920  9.1100   1.6920  33.346  3.3116 33.346  3.3116 0.000000       0.000000 
1 1 1 7  7  72 o 33.527  3.1217 9.1791   1.6080  9.1791   1.6080  9.1791   1.6080  33.527  3.1217 33.527  3.1217 0.000000       0.000000 
1 1 1 7  7  73 o 42.097  2.6264 14.233   1.7178  14.233   1.7178  14.233   1.7178  42.097  2.6264 42.097  2.6264 0.000000       0.000000 
1 1 1 7  7  74 o 7.1554  4.7047 -0.1323  1.3361  -0.1323  1.3361  -0.1323  1.3361  7.1554  4.7047 7.1554  4.7047 0.000000       0.000000 
1 1 1 7  7  75 o 46.632  2.6147 17.473   1.8977  17.473   1.8977  17.473   1.8977  46.632  2.6147 46.632  2.6147 0.000000       0.000000 
1 1 1 7  7  76 o 36.750  3.8167 11.294   2.1446  11.294   2.1446  11.294   2.1446  36.750  3.8167 36.750  3.8167 0.000000       0.000000 
1 1 1 7  7  77 o 10.854  6.7170 1.0783   2.2641  1.0783   2.2641  1.0783   2.2641  10.854  6.7170 10.854  6.7170 0.000000       0.000000 
1 1 1 7  7  78 o 20.707  7.9464 5.1126   2.4388  5.1126   2.4388  5.1126   2.4388  20.707  7.9464 20.707  7.9464 0.000000       0.000000 
1 1 1 7  7  79 o 22.426  7.8439 5.7639   2.4966  5.7639   2.4966  5.7639   2.4966  22.426  7.8439 22.426  7.8439 0.000000       0.000000 
1 1 1 7  7  80 o 53.302  4.3279 24.039   3.5615  24.039   3.5615  24.039   3.5615  53.302  4.3279 53.302  4.3279 0.000000       0.000000 
1 1 1 7  7  81 o 8.9375  6.1262 -0.9975  2.7475  -0.9975  2.7475  -0.9975  2.7475  8.9375  6.1262 8.9375  6.1262 0.000000       0.000000 
1 1 1 7  7  82 o 10.679  6.9499 0.7554   2.8080  0.7554   2.8080  0.7554   2.8080  10.679  6.9499 10.679  6.9499 -0.000000      0.000000 
1 1 1 7  7  83 o 19.275  8.6915 5.3857   2.8174  5.3857   2.8174  5.3857   2.8174  19.275  8.6915 19.275  8.6915 0.000000       0.000000 
1 1 1 8  0  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 8  0  1  o 22.463  7.2498 5.0192   2.2551  5.0192   2.2551  5.0192   2.2551  22.463  7.2498 22.463  7.2498 -0.000000      0.000000 
1 1 1 8  0  2  o 145.211 3.9678 165.677  9.0173  165.677  9.0173  165.677  9.0173  145.211 3.9678 145.211 3.9678 0.000000       0.000000 
1 1 1 8  0  3  o 82.483  3.4529 53.613   4.4470  53.613   4.4470  53.613   4.4470  82.483  3.4529 82.483  3.4529 0.000000       0.000000 
1 1 1 8  0  4  o 393.398 8.3815 1215.57  51.637  1215.57  51.637  1215.57  51.637  393.398 8.3815 393.398 8.3815 -0.000000      0.000000 
1 1 1 8  0  5  o 326.566 4.1045 836.459  21.006  836.459  21.006  836.459  21.006  326.566 4.1045 326.566 4.1045 0.000000       0.000000 
1 1 1 8  0  6  o 558.889 6.7199 2450.51  58.857  2450.51  58.857  2450.51  58.857  558.889 6.7199 558.889 6.7199 0.000000       0.000000 
1 1 1 8  0  7  o 496.003 5.1951 1929.52  40.385  1929.52  40.385  1929.52  40.385  496.003 5.1951 496.003 5.1951 -0.000000      0.000000 
1 1 1 8  0  8  o 318.188 3.4647 793.958  17.278  793.958  17.278  793.958  17.278  318.188 3.4647 318.188 3.4647 -0.000000      0.000000 
1 1 1 8  0  9  o 185.115 2.0487 268.711  5.9438  268.711  5.9438  268.711  5.9438  185.115 2.0487 185.115 2.0487 -0.000000      0.000000 
1 1 1 8  0  10 o 318.587 3.0987 795.873  15.473  795.873  15.473  795.873  15.473  318.587 3.0987 318.587 3.0987 0.000000       0.000000 
1 1 1 8  0  11 o 204.880 2.1803 329.147  7.0010  329.147  7.0010  329.147  7.0010  204.880 2.1803 204.880 2.1803 -0.000000      0.000000 
1 1 1 8  0  12 o 975.649 8.9461 7468.87  136.803 7468.87  136.803 7468.87  136.803 975.649 8.9461 975.649 8.9461 0.000000       0.000000 
1 1 1 8  0  13 o 272.029 2.7144 580.248  11.573  580.248  11.573  580.248  11.573  272.029 2.7144 272.029 2.7144 0.000000       0.000000 
1 1 1 8  0  14 o 447.276 4.2144 1568.79  29.544  1568.79  29.544  1568.79  29.544  447.276 4.2144 447.276 4.2144 0.000000       0.000000 
1 1 1 8  0  15 f 951.987 8.7357 7110.80  130.346 7110.80  130.346 7110.80  130.346 951.987 8.7357 951.987 8.7357 -0.000000      0.000000 
1 1 1 8  0  16 o 353.821 3.4004 981.659  18.857  981.659  18.857  981.659  18.857  353.821 3.4004 353.821 3.4004 0.000000       0.000000 
1 1 1 8  0  17 o 190.849 2.0845 285.612  6.2349  285.612  6.2349  285.612  6.2349  190.849 2.0845 190.849 2.0845 0.000000       0.000000 
1 1 1 8  0  18 o 966.017 8.8578 7322.33  134.116 7322.33  134.116 7322.33  134.116 966.017 8.8578 966.017 8.8578 0.000000       0.000000 
1 1 1 8  0  19 o 586.972 5.4546 2702.12  50.182  2702.12  50.182  2702.12  50.182  586.972 5.4546 586.972 5.4546 -0.000000      0.000000 
1 1 1 8  0  20 o 166.262 2.1478 216.794  5.5960  216.794  5.5960  216.794  5.5960  166.262 2.1478 166.262 2.1478 -0.000000      0.000000 
1 1 1 8  0  21 o 958.186 8.8015 7204.52  132.184 7204.52  132.184 7204.52  132.184 958.186 8.8015 958.186 8.8015 0.000000       0.000000 
1 1 1 8  0  22 o 118.750 1.8324 110.616  3.4094  110.616  3.4094  110.616  3.4094  118.750 1.8324 118.750 1.8324 0.000000       0.000000 
1 1 1 8  0  23 o 340.778 3.2963 910.636  17.606  910.636  17.606  910.636  17.606  340.778 3.2963 340.778 3.2963 -0.000000      0.000000 
1 1 1 8  0  24 o 569.907 5.2971 2547.38  47.316  2547.38  47.316  2547.38  47.316  569.907 5.2971 569.907 5.2971 0.000000       0.000000 
1 1 1 8  0  25 o 323.627 3.5038 821.364  17.771  821.364  17.771  821.364  17.771  323.627 3.5038 323.627 3.5038 -0.000000      0.000000 
1 1 1 8  0  26 o 559.599 5.2084 2456.13  45.683  2456.13  45.683  2456.13  45.683  559.599 5.2084 559.599 5.2084 0.000000       0.000000 
1 1 1 8  0  27 o 149.603 1.8141 175.516  4.2531  175.516  4.2531  175.516  4.2531  149.603 1.8141 149.603 1.8141 -0.000000      0.000000 
1 1 1 8  0  28 o 200.005 2.1534 313.682  6.7501  313.682  6.7501  313.682  6.7501  200.005 2.1534 200.005 2.1534 -0.000000      0.000000 
1 1 1 8  0  29 o 361.989 3.4759 1027.60  19.721  1027.60  19.721  1027.60  19.721  361.989 3.4759 361.989 3.4759 -0.000000      0.000000 
1 1 1 8  0  30 o 120.150 1.6334 113.222  3.0753  113.222  3.0753  113.222  3.0753  120.150 1.6334 120.150 1.6334 -0.000000      0.000000 
1 1 1 8  0  31 o 422.616 3.9955 1400.80  26.466  1400.80  26.466  1400.80  26.466  422.616 3.9955 422.616 3.9955 0.000000       0.000000 
1 1 1 8  0  32 o 180.132 1.9989 254.453  5.6431  254.453  5.6431  254.453  5.6431  180.132 1.9989 180.132 1.9989 0.000000       0.000000 
1 1 1 8  0  33 o 48.368  1.6935 18.406   1.2805  18.406   1.2805  18.406   1.2805  48.368  1.6935 48.368  1.6935 -0.000000      0.000000 
1 1 1 8  0  34 o 254.202 2.3624 506.718  9.4122  506.718  9.4122  506.718  9.4122  254.202 2.3624 254.202 2.3624 -0.000000      0.000000 
1 1 1 8  0  35 o 532.617 4.5433 2225.58  37.929  2225.58  37.929  2225.58  37.929  532.617 4.5433 532.617 4.5433 0.000000       0.000000 
1 1 1 8  0  36 o 270.751 2.4830 574.872  10.537  574.872  10.537  574.872  10.537  270.751 2.4830 270.751 2.4830 -0.000000      0.000000 
1 1 1 8  0  37 o 74.915  1.6499 44.059   1.9355  44.059   1.9355  44.059   1.9355  74.915  1.6499 74.915  1.6499 -0.000000      0.000000 
1 1 1 8  0  38 o 137.065 1.8029 147.355  3.8724  147.355  3.8724  147.355  3.8724  137.065 1.8029 137.065 1.8029 0.000000       0.000000 
1 1 1 8  0  39 o 116.707 2.0190 106.878  3.6915  106.878  3.6915  106.878  3.6915  116.707 2.0190 116.707 2.0190 0.000000       0.000000 
1 1 1 8  0  40 o 287.758 2.8902 649.500  13.035  649.500  13.035  649.500  13.035  287.758 2.8902 287.758 2.8902 0.000000       0.000000 
1 1 1 8  0  41 o 20.561  4.2885 3.7173   1.2185  3.7173   1.2185  3.7173   1.2185  20.561  4.2885 20.561  4.2885 0.000000       0.000000 
1 1 1 8  0  42 o 101.279 1.7113 80.482   2.7154  80.482   2.7154  80.482   2.7154  101.279 1.7113 101.279 1.7113 -0.000000      0.000000 
1 1 1 8  0  43 o 9.3044  5.3112 0.8696   1.2168  0.8696   1.2168  0.8696   1.2168  9.3044  5.3112 9.3044  5.3112 0.000000       0.000000 
1 1 1 8  0  44 o 169.141 2.0141 224.392  5.3387  224.392  5.3387  224.392  5.3387  169.141 2.0141 169.141 2.0141 0.000000       0.000000 
1 1 1 8  0  45 o 21.929  4.1486 4.1530   1.2774  4.1530   1.2774  4.1530   1.2774  21.929  4.1486 21.929  4.1486 0.000000       0.000000 
1 1 1 8  0  46 o 236.737 2.4973 439.621  9.2658  439.621  9.2658  439.621  9.2658  236.737 2.4973 236.737 2.4973 -0.000000      0.000000 
1 1 1 8  0  47 o 219.943 2.3778 379.460  8.1965  379.460  8.1965  379.460  8.1965  219.943 2.3778 219.943 2.3778 -0.000000      0.000000 
1 1 1 8  0  48 o 223.183 2.1616 390.682  7.5614  390.682  7.5614  390.682  7.5614  223.183 2.1616 223.183 2.1616 0.000000       0.000000 
1 1 1 8  0  49 o 227.644 2.1882 406.471  7.8074  406.471  7.8074  406.471  7.8074  227.644 2.1882 227.644 2.1882 -0.000000      0.000000 
1 1 1 8  0  50 o 108.001 1.4819 91.499   2.5079  91.499   2.5079  91.499   2.5079  108.001 1.4819 108.001 1.4819 0.000000       0.000000 
1 1 1 8  0  51 o 11.164  6.0256 1.3889   1.4675  1.3889   1.4675  1.3889   1.4675  11.164  6.0256 11.164  6.0256 0.000000       0.000000 
1 1 1 8  0  52 o 56.972  2.0915 25.557   1.8623  25.557   1.8623  25.557   1.8623  56.972  2.0915 56.972  2.0915 0.000000       0.000000 
1 1 1 8  0  53 o 43.739  2.4578 15.149   1.6731  15.149   1.6731  15.149   1.6731  43.739  2.4578 43.739  2.4578 -0.000000      0.000000 
1 1 1 8  0  54 o 142.126 2.1337 158.556  4.7516  158.556  4.7516  158.556  4.7516  142.126 2.1337 142.126 2.1337 0.000000       0.000000 
1 1 1 8  0  55 o 304.672 3.4140 729.461  16.302  729.461  16.302  729.461  16.302  304.672 3.4140 304.672 3.4140 -0.000000      0.000000 
1 1 1 8  0  56 o 8.3238  5.1972 0.3228   1.3862  0.3228   1.3862  0.3228   1.3862  8.3238  5.1972 8.3238  5.1972 0.000000       0.000000 
1 1 1 8  0  57 o 82.639  1.7075 53.637   2.2099  53.637   2.2099  53.637   2.2099  82.639  1.7075 82.639  1.7075 -0.000000      0.000000 
1 1 1 8  0  58 o 27.871  2.9529 6.3062   1.2571  6.3062   1.2571  6.3062   1.2571  27.871  2.9529 27.871  2.9529 0.000000       0.000000 
1 1 1 8  0  59 o 38.992  2.5113 12.089   1.5204  12.089   1.5204  12.089   1.5204  38.992  2.5113 38.992  2.5113 -0.000000      0.000000 
1 1 1 8  0  60 o 84.770  1.6873 56.452   2.2402  56.452   2.2402  56.452   2.2402  84.770  1.6873 84.770  1.6873 -0.000000      0.000000 
1 1 1 8  0  61 o 27.560  2.8185 6.1568   1.1886  6.1568   1.1886  6.1568   1.1886  27.560  2.8185 27.560  2.8185 -0.000000      0.000000 
1 1 1 8  0  62 o 67.634  1.8531 35.991   1.9614  35.991   1.9614  35.991   1.9614  67.634  1.8531 67.634  1.8531 -0.000000      0.000000 
1 1 1 8  0  63 o 58.269  1.8767 26.742   1.7103  26.742   1.7103  26.742   1.7103  58.269  1.8767 58.269  1.8767 -0.000000      0.000000 
1 1 1 8  0  64 o 73.957  1.6259 42.995   1.8831  42.995   1.8831  42.995   1.8831  73.957  1.6259 73.957  1.6259 0.000000       0.000000 
1 1 1 8  0  65 o 5.5519  3.7592 -0.4807  0.9694  -0.4807  0.9694  -0.4807  0.9694  5.5519  3.7592 5.5519  3.7592 -0.000000      0.000000 
1 1 1 8  0  66 o 27.143  2.4699 5.9383   1.0310  5.9383   1.0310  5.9383   1.0310  27.143  2.4699 27.143  2.4699 -0.000000      0.000000 
1 1 1 8  0  67 o 104.964 1.5855 86.564   2.6075  86.564   2.6075  86.564   2.6075  104.964 1.5855 104.964 1.5855 0.000000       0.000000 
1 1 1 8  0  68 o 29.067  2.1103 6.7478   0.9500  6.7478   0.9500  6.7478   0.9500  29.067  2.1103 29.067  2.1103 0.000000       0.000000 
1 1 1 8  0  69 o 64.811  2.9922 33.372   3.0253  33.372   3.0253  33.372   3.0253  64.811  2.9922 64.811  2.9922 0.000000       0.000000 
1 1 1 8  0  70 o 39.756  3.7613 12.870   2.2960  12.870   2.2960  12.870   2.2960  39.756  3.7613 39.756  3.7613 0.000000       0.000000 
1 1 1 8  0  71 o 7.4770  4.9526 -0.3280  1.5248  -0.3280  1.5248  -0.3280  1.5248  7.4770  4.9526 7.4770  4.9526 -0.000000      0.000000 
1 1 1 8  0  72 o 75.875  2.8692 45.735   3.4017  45.735   3.4017  45.735   3.4017  75.875  2.8692 75.875  2.8692 0.000000       0.000000 
1 1 1 8  0  73 o 15.792  7.3441 3.0197   2.0182  3.0197   2.0182  3.0197   2.0182  15.792  7.3441 15.792  7.3441 -0.000000      0.000000 
1 1 1 8  0  74 o 35.229  4.3436 10.404   2.3010  10.404   2.3010  10.404   2.3010  35.229  4.3436 35.229  4.3436 0.000000       0.000000 
1 1 1 8  0  75 o 31.282  4.9639 8.4872   2.2507  8.4872   2.2507  8.4872   2.2507  31.282  4.9639 31.282  4.9639 0.000000       0.000000 
1 1 1 8  0  76 o 34.010  4.5182 9.8394   2.2901  9.8394   2.2901  9.8394   2.2901  34.010  4.5182 34.010  4.5182 -0.000000      0.000000 
1 1 1 8  0  77 o 23.346  6.9093 5.5695   2.1992  5.5695   2.1992  5.5695   2.1992  23.346  6.9093 23.346  6.9093 0.000000       0.000000 
1 1 1 8  0  78 o 12.088  6.9527 1.7484   2.1085  1.7484   2.1085  1.7484   2.1085  12.088  6.9527 12.088  6.9527 0.000000       0.000000 
1 1 1 8  0  79 o 34.078  4.6045 10.016   2.3335  10.016   2.3335  10.016   2.3335  34.078  4.6045 34.078  4.6045 0.000000       0.000000 
1 1 1 8  0  80 o 17.168  7.6790 3.7453   2.1996  3.7453   2.1996  3.7453   2.1996  17.168  7.6790 17.168  7.6790 -0.000000      0.000000 
1 1 1 8  0  81 o 11.809  6.9694 1.6567   2.2095  1.6567   2.2095  1.6567   2.2095  11.809  6.9694 11.809  6.9694 -0.000000      0.000000 
1 1 1 8  0  82 o 7.9725  5.4527 -0.9568  2.1503  -0.9568  2.1503  -0.9568  2.1503  7.9725  5.4527 7.9725  5.4527 0.000000       0.000000 
1 1 1 8  0  83 o 24.121  6.8198 6.0423   2.2333  6.0423   2.2333  6.0423   2.2333  24.121  6.8198 24.121  6.8198 0.000000       0.000000 
1 1 1 8  0  84 o 8.6983  5.7458 -0.0093  2.0300  -0.0093  2.0300  -0.0093  2.0300  8.6983  5.7458 8.6983  5.7458 -0.000000      0.000000 
1 1 1 8  0  85 o 26.558  6.3099 7.0454   2.2802  7.0454   2.2802  7.0454   2.2802  26.558  6.3099 26.558  6.3099 -0.000000      0.000000 
1 1 1 8  0  86 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 8  1  0  o 221.234 2.5893 383.825  8.9775  383.825  8.9775  383.825  8.9775  221.234 2.5893 221.234 2.5893 0.000000       0.000000 
1 1 1 8  1  1  f 410.259 2.7579 1319.48  17.738  1332.63  25.348  1306.88  24.830  412.265 3.9220 408.263 3.8795 4.001556       5.516584 
1 1 1 8  1  2  o 535.738 3.9501 2250.42  33.175  2256.93  47.050  2243.98  46.784  536.429 5.5949 534.888 5.5793 1.540833       7.901357 
1 1 1 8  1  3  o 345.601 2.6415 936.343  14.311  911.386  19.707  964.191  20.817  340.942 3.6871 350.678 3.7867 -9.735413      5.285270 
1 1 1 8  1  4  o 157.649 1.5681 194.816  3.8754  193.337  5.1119  196.815  5.9427  157.046 2.0764 158.450 2.3924 -1.404297      3.167793 
1 1 1 8  1  5  o 218.014 1.8112 372.580  6.1902  374.891  8.7920  370.309  8.7170  218.682 2.5646 217.341 2.5584 1.340469       3.622536 
1 1 1 8  1  6  o 646.097 5.0599 3273.70  51.250  3347.68  69.404  3184.98  76.000  653.227 6.7775 637.081 7.6097 16.14655       10.19028 
1 1 1 8  1  7  o 78.767  1.3370 48.633   1.6510  48.368   2.1985  48.976   2.5001  78.551  1.7853 79.043  2.0176 -0.4913559     2.694097 
1 1 1 8  1  8  o 1124.49 8.7054 9926.08  153.460 9749.14  199.043 10185.41 240.969 1113.83 11.399 1137.89 13.508 -24.06433      17.67545 
1 1 1 8  1  9  o 339.367 2.4516 902.849  13.043  904.991  16.007  898.617  22.501  339.760 3.0052 338.532 4.2398 1.228088       5.196833 
1 1 1 8  1  10 o 486.994 3.2342 1859.34  24.691  1865.03  31.992  1850.97  38.831  487.704 4.1843 485.822 5.0986 1.882416       6.595767 
1 1 1 8  1  11 o 79.723  1.1903 49.820   1.4876  48.339   1.7822  53.220   2.7014  78.529  1.4477 82.396  2.0913 -3.867310      2.543540 
1 1 1 8  1  12 o 195.844 1.5122 300.650  4.6428  304.539  6.0577  295.113  7.2280  197.103 1.9605 194.025 2.3763 3.077789       3.080649 
1 1 1 8  1  13 o 311.676 2.0582 761.492  10.056  758.690  13.580  764.895  14.964  311.091 2.7846 312.355 3.0558 -1.264679      4.134290 
1 1 1 8  1  14 o 154.193 1.1945 186.366  2.8874  189.424  3.8290  182.335  4.3963  155.452 1.5712 152.514 1.8387 2.937866       2.418613 
1 1 1 8  1  15 o 694.521 4.1389 3782.18  45.064  3815.10  59.525  3737.98  68.974  697.450 5.4441 690.288 6.3738 7.161560       8.382374 
1 1 1 8  1  16 o 299.685 2.2075 704.038  10.371  721.012  14.241  684.868  15.134  303.263 2.9955 295.559 3.2662 7.704102       4.431844 
1 1 1 8  1  17 o 127.103 1.1526 126.633  2.2966  122.027  3.0377  132.778  3.5087  124.769 1.5530 130.148 1.7197 -5.379158      2.317189 
1 1 1 8  1  18 f 1037.87 6.4148 8450.58  104.371 8372.42  139.922 8548.63  156.707 1032.69 8.6429 1043.32 9.5811 -10.62292      12.90341 
1 1 1 8  1  19 o 508.889 3.3664 2030.38  26.856  2003.72  37.478  2058.51  38.503  505.477 4.7295 512.338 4.7939 -6.860199      6.734185 
1 1 1 8  1  20 o 501.578 3.1659 1972.40  24.894  1959.53  33.477  1988.33  37.232  499.893 4.2718 503.532 4.7167 -3.638885      6.363620 
1 1 1 8  1  21 o 371.207 2.3995 1080.22  13.963  1072.00  18.770  1090.41  20.895  369.772 3.2380 372.923 3.5741 -3.151154      4.822717 
1 1 1 8  1  22 o 285.426 1.9132 638.628  8.5608  649.214  11.766  626.722  12.479  287.771 2.6081 282.739 2.8154 5.032379       3.837797 
1 1 1 8  1  23 o 569.056 3.5699 2539.02  31.847  2543.83  43.230  2533.32  47.095  569.520 4.8419 568.312 5.2861 1.208130       7.168483 
1 1 1 8  1  24 o 387.136 2.4949 1174.95  15.142  1160.58  20.254  1193.15  22.799  384.737 3.3580 390.086 3.7282 -5.348785      5.017527 
1 1 1 8  1  25 o 425.371 2.7185 1418.55  18.128  1406.39  24.339  1433.71  27.169  423.510 3.6659 427.587 4.0531 -4.076935      5.465050 
1 1 1 8  1  26 o 333.194 2.2860 870.326  11.941  847.991  15.048  908.301  19.622  328.876 2.9187 340.346 3.6776 -11.47028      4.695081 
1 1 1 8  1  27 o 351.088 2.2858 966.326  12.581  975.801  17.208  955.447  18.439  352.782 3.1116 349.074 3.3694 3.707458       4.586376 
1 1 1 8  1  28 o 136.906 1.1828 146.921  2.5387  144.992  3.4058  149.333  3.8082  136.001 1.5974 138.021 1.7600 -2.019836      2.376872 
1 1 1 8  1  29 o 355.699 2.3136 991.903  12.901  1012.88  19.484  975.532  17.215  359.398 3.4583 352.724 3.1133 6.673584       4.653201 
1 1 1 8  1  30 o 47.399  1.2362 17.611   0.9186  17.491   1.2368  17.759   1.3718  47.236  1.6703 47.595  1.8385 -0.3596077     2.483937 
1 1 1 8  1  31 o 268.835 1.7476 566.567  7.3651  567.307  10.407  565.824  10.425  268.993 2.4678 268.641 2.4755 0.3521423      3.495446 
1 1 1 8  1  32 o 329.957 2.0753 853.551  10.735  859.184  15.252  848.023  15.111  331.010 2.9393 328.853 2.9312 2.156677       4.151058 
1 1 1 8  1  33 o 290.335 1.8606 660.849  8.4685  650.785  11.787  671.585  12.175  288.090 2.6100 292.656 2.6537 -4.565857      3.722080 
1 1 1 8  1  34 o 376.344 2.3317 1110.54  13.756  1107.80  19.375  1113.32  19.535  375.820 3.2885 376.754 3.3075 -0.9337463     4.664140 
1 1 1 8  1  35 o 270.427 1.7557 573.335  7.4431  573.604  10.513  573.065  10.539  270.463 2.4796 270.336 2.4867 0.1273499      3.511746 
1 1 1 8  1  36 o 253.946 1.8453 505.601  7.3460  502.980  11.635  507.338  9.4729  253.242 2.9307 254.363 2.3756 -1.120285      3.772615 
1 1 1 8  1  37 o 256.550 1.8608 516.034  7.4837  505.961  11.712  522.985  9.7289  253.985 2.9415 258.250 2.4031 -4.264984      3.798289 
1 1 1 8  1  38 o 205.226 1.5831 330.198  5.0933  337.815  8.3351  325.658  6.4344  207.547 2.5618 203.798 2.0140 3.748993       3.258648 
1 1 1 8  1  39 o 116.420 1.2129 106.250  2.2136  104.939  3.6590  107.007  2.7801  115.687 2.0175 116.830 1.5179 -1.142624      2.524785 
1 1 1 8  1  40 o 256.050 1.7857 514.032  7.1680  515.484  10.742  512.866  9.6241  256.369 2.6728 255.732 2.4006 0.6370239      3.592577 
1 1 1 8  1  41 o 357.070 2.3439 999.862  13.121  996.850  19.486  1002.36  17.747  356.428 3.4873 357.445 3.1670 -1.016876      4.710790 
1 1 1 8  1  42 o 30.428  1.9332 7.2891   0.9174  9.7678   1.5700  6.0040   1.1304  35.171  2.8725 27.540  2.6510 7.630360       3.908836 
1 1 1 8  1  43 o 196.150 1.3548 301.630  4.1658  301.875  5.6880  301.346  6.1183  196.215 1.8491 196.037 1.9908 0.1773071      2.717125 
1 1 1 8  1  44 o 178.371 1.3275 249.430  3.7121  251.232  5.2750  247.662  5.2249  178.998 1.8798 177.722 1.8754 1.276154       2.655316 
1 1 1 8  1  45 o 224.774 1.6250 396.131  5.7259  401.751  7.7846  389.505  8.4518  226.337 2.1940 222.848 2.4193 3.488663       3.265936 
1 1 1 8  1  46 o 231.451 1.6567 420.025  6.0112  415.294  7.9979  426.168  9.1129  230.115 2.2171 233.091 2.4939 -2.975861      3.336899 
1 1 1 8  1  47 o 195.351 1.4803 299.205  4.5335  305.302  6.1715  292.058  6.6815  197.310 1.9952 192.972 2.2086 4.337631       2.976386 
1 1 1 8  1  48 o 31.999  1.6475 8.0502   0.8236  8.9279   1.0079  6.2862   1.4290  33.686  1.9165 28.106  3.3063 5.580250       3.821622 
1 1 1 8  1  49 o 115.957 1.1098 105.414  2.0173  107.535  2.5778  102.063  3.2404  117.112 1.4041 114.083 1.8119 3.029266       2.292253 
1 1 1 8  1  50 o 109.660 1.3422 94.285   2.3074  93.012   3.1549  95.748   3.3833  108.903 1.8479 110.490 1.9533 -1.587105      2.688909 
1 1 1 8  1  51 o 103.245 1.3285 83.579   2.1503  85.363   3.0043  81.704   3.0789  104.326 1.8370 102.063 1.9243 2.263458       2.660352 
1 1 1 8  1  52 o 238.786 1.8884 447.250  7.0690  453.831  9.6759  439.717  10.353  240.463 2.5668 236.666 2.7904 3.797104       3.791376 
1 1 1 8  1  53 o 53.800  1.4716 22.699   1.2411  24.445   1.8133  21.160   1.7024  55.817  2.0723 51.931  2.0911 3.886429       2.943964 
1 1 1 8  1  54 o 169.115 1.4252 224.298  3.7784  223.674  5.5029  224.854  5.1970  168.828 2.0792 169.284 1.9583 -0.4555359     2.856245 
1 1 1 8  1  55 f 176.518 1.6856 244.448  4.6644  246.021  5.8911  241.803  7.6362  177.040 2.1226 175.428 2.7767 1.611526       3.495060 
1 1 1 8  1  56 o 38.641  2.0028 11.751   1.2090  12.500   1.5187  10.457   1.9979  39.816  2.4449 36.271  3.5595 3.545822       4.318295 
1 1 1 8  1  57 o 48.122  1.7410 18.174   1.3134  17.879   1.6191  18.740   2.2460  47.715  2.1645 48.721  2.9546 -1.006119      3.662672 
1 1 1 8  1  58 o 98.012  1.4376 75.369   2.2089  75.521   2.7680  75.102   3.6654  98.085  1.8001 97.757  2.3918 0.3282776      2.993492 
1 1 1 8  1  59 o 62.971  1.8121 31.134   1.7888  30.156   2.5580  32.069   2.5025  61.918  2.6353 63.862  2.4996 -1.944809      3.632238 
1 1 1 8  1  60 o 27.959  2.3157 6.1872   1.0058  6.7477   1.1873  4.7625   1.8930  29.168  2.6247 24.022  5.1791 5.145407       5.806244 
1 1 1 8  1  61 o 31.113  2.1154 7.6431   1.0257  7.1352   1.2038  8.9878   1.9590  30.000  2.5849 33.507  3.7965 -3.506191      4.592927 
1 1 1 8  1  62 o 113.597 1.3008 101.261  2.3164  103.576  3.0591  98.150   3.5466  114.843 1.6992 111.750 2.0245 3.093277       2.643033 
1 1 1 8  1  63 o 35.685  1.7961 10.030   1.0016  10.038   1.2035  10.010   1.8064  35.662  2.1629 35.452  3.2878 0.2102242      3.935425 
1 1 1 8  1  64 o 34.237  1.6901 9.2076   0.9071  7.7588   1.2199  11.000   1.3567  31.288  2.5081 37.312  2.3311 -6.024065      3.424113 
1 1 1 8  1  65 f 61.667  1.2009 29.843   1.1610  29.164   1.5330  30.756   1.7779  60.934  1.6048 62.557  1.8129 -1.622784      2.421154 
1 1 1 8  1  66 o 22.157  2.1264 3.8982   0.7295  3.7519   0.9223  4.1428   1.1923  21.631  2.7845 22.618  3.4736 -0.9873714     4.451900 
1 1 1 8  1  67 o 61.638  1.1210 29.815   1.0833  29.947   1.4149  29.628   1.6839  61.749  1.4616 61.394  1.7495 0.3552742      2.279766 
1 1 1 8  1  68 o 15.856  3.9160 2.0793   0.9677  3.5557   2.0586  1.6605   1.0963  20.689  5.9981 14.402  4.4269 6.286922       7.454826 
1 1 1 8  1  69 o 23.518  2.7552 4.4296   0.9966  5.1393   2.0974  4.2227   1.1326  24.732  5.5464 22.858  3.2523 1.874100       6.429664 
1 1 1 8  1  70 o 25.127  2.4657 5.0318   0.9588  3.2540   1.9912  5.5684   1.0939  19.812  5.9404 26.408  2.6795 -6.595499      6.516777 
1 1 1 8  1  71 o 45.543  1.5098 16.307   1.0780  16.824   1.9841  16.091   1.2840  46.017  2.7632 45.210  1.8117 0.8061752      3.304171 
1 1 1 8  1  72 o 72.659  1.2885 41.481   1.4677  42.332   2.6722  41.114   1.7563  73.200  2.3287 72.297  1.5496 0.9024506      2.797154 
1 1 1 8  1  73 o 50.339  2.1611 20.013   1.7054  21.879   2.6752  18.735   2.2135  52.281  3.2807 48.470  2.9268 3.811264       4.396514 
1 1 1 8  1  74 o 35.787  2.8855 10.252   1.6051  10.792   2.2233  9.6635   2.3195  36.400  3.9601 34.264  4.4215 2.136524       5.935638 
1 1 1 8  1  75 o 84.877  2.0337 56.934   2.7060  60.295   3.8668  53.708   3.7881  87.011  2.8348 82.070  2.9443 4.941162       4.087195 
1 1 1 8  1  76 o 85.783  2.0709 58.229   2.7850  57.329   3.8987  59.168   3.9796  84.715  2.9357 86.055  2.9499 -1.340210      4.161746 
1 1 1 8  1  77 o 16.150  5.2346 2.1518   1.5141  1.4831   2.0841  2.8992   2.2033  15.453  6.0027 18.665  6.3229 -3.211983      8.718477 
1 1 1 8  1  78 o 29.441  3.6321 7.1241   1.6408  6.3670   2.2992  7.9098   2.3422  26.983  5.6180 30.412  5.0928 -3.428776      7.582820 
1 1 1 8  1  79 o 12.192  5.0263 0.5371   1.5533  2.4230   2.2065  -1.3155  2.1870  17.477  6.2991 11.432  5.2679 6.044960       8.211549 
1 1 1 8  1  80 o 15.436  5.3855 1.8957   1.6019  -2.2955  2.2095  6.5401   2.3259  10.500  4.9823 27.228  5.6349 -16.72733      7.521622 
1 1 1 8  1  81 o 25.839  4.3553 5.6641   1.7015  5.1122   2.3442  6.2787   2.4736  23.715  6.2261 26.377  6.1031 -2.661354      8.718473 
1 1 1 8  1  82 o 16.432  5.4510 2.2805   1.6382  3.8309   2.3210  0.7416   2.3124  20.564  6.4611 14.406  6.0505 6.158479       8.851803 
1 1 1 8  1  83 o 18.830  5.3645 3.1541   1.6602  4.7264   2.3407  1.5626   2.3550  22.604  6.3456 15.787  6.3044 6.817071       8.944911 
1 1 1 8  1  84 o 33.813  3.2880 9.4090   1.7208  9.7230   2.4444  9.1005   2.4229  33.531  4.7860 32.330  4.9371 1.201073       6.876122 
1 1 1 8  1  85 o 28.575  3.7389 6.8723   1.6347  8.8998   2.3683  5.0272   2.2592  31.854  4.8997 23.113  6.1335 8.741014       7.850291 
1 1 1 8  2  0  o 308.560 2.7747 746.520  13.419  746.520  13.419  746.520  13.419  308.560 2.7747 308.560 2.7747 0.000000       0.000000 
1 1 1 8  2  1  o 336.081 2.2029 885.427  11.606  864.773  15.352  912.986  17.733  332.125 2.9485 341.250 3.3147 -9.125061      4.436328 
1 1 1 8  2  2  o 265.092 1.8916 550.869  7.8609  560.744  10.328  537.270  12.120  267.451 2.4633 261.786 2.9532 5.664734       3.845673 
1 1 1 8  2  3  o 471.505 3.1374 1742.93  23.190  1739.49  32.709  1746.41  32.884  470.994 4.4300 471.929 4.4448 -0.9350281     6.275405 
1 1 1 8  2  4  o 232.824 1.8034 424.919  6.5822  425.066  9.8646  424.801  8.8372  232.855 2.7023 232.785 2.4216 0.6950378E-01  3.628618 
1 1 1 8  2  5  o 600.985 3.7646 2831.87  35.468  2822.04  47.827  2843.87  52.870  599.873 5.0858 602.155 5.6007 -2.282715      7.565280 
1 1 1 8  2  6  o 544.885 3.4274 2327.74  29.277  2338.17  39.817  2315.47  43.197  546.051 4.6514 543.373 5.0710 2.678406       6.881218 
1 1 1 8  2  7  o 431.924 2.7595 1462.53  18.685  1461.98  25.269  1463.19  27.754  431.816 3.7328 431.983 4.0983 -0.1663818     5.543430 
1 1 1 8  2  8  o 455.851 3.0400 1629.10  21.725  1661.79  31.336  1598.85  30.145  460.358 4.3420 451.559 4.2584 8.799255       6.081713 
1 1 1 8  2  9  o 136.852 1.2465 146.805  2.6742  146.336  3.7626  147.284  3.8014  136.631 1.7567 137.073 1.7691 -0.4417877     2.493071 
1 1 1 8  2  10 o 418.058 2.9583 1370.16  19.388  1355.53  25.717  1389.43  29.510  415.791 3.9454 420.941 4.4719 -5.149445      5.963544 
1 1 1 8  2  11 o 464.204 3.2592 1689.40  23.718  1698.96  31.992  1677.74  35.342  465.475 4.3842 462.539 4.8741 2.935547       6.555761 
1 1 1 8  2  12 o 414.540 3.1170 1347.23  20.256  1351.79  25.697  1339.74  32.919  415.216 3.9478 413.319 5.0806 1.896942       6.434041 
1 1 1 8  2  13 o 146.932 1.3648 169.228  3.1436  173.318  3.8993  161.633  5.3134  148.695 1.6728 143.592 2.3604 5.103638       2.893034 
1 1 1 8  2  14 o 539.963 3.7583 2286.01  31.814  2266.04  38.589  2328.39  56.213  537.562 4.5791 544.783 6.5820 -7.220764      8.018112 
1 1 1 8  2  15 o 224.078 1.7663 393.596  6.2048  389.400  7.5093  402.626  11.016  222.877 2.1492 226.619 3.1007 -3.741730      3.772759 
1 1 1 8  2  16 o 543.077 3.7841 2312.48  32.216  2287.15  38.998  2366.90  57.167  540.055 4.6063 549.258 6.6392 -9.203186      8.080707 
1 1 1 8  2  17 o 663.819 4.5823 3455.58  47.686  3449.98  58.295  3466.91  82.902  663.206 5.6070 664.602 7.9570 -1.396362      9.734065 
1 1 1 8  2  18 o 238.409 1.7560 445.554  6.5630  434.386  8.2626  464.645  10.803  235.398 2.2390 243.450 2.8306 -8.052719      3.609111 
1 1 1 8  2  19 o 756.013 5.1965 4482.77  61.588  4540.03  83.734  4415.29  90.903  760.634 7.0222 750.023 7.7313 10.61115       10.44431 
1 1 1 8  2  20 o 253.411 1.7473 503.389  6.9414  509.283  9.5085  496.665  10.157  254.882 2.3797 251.702 2.5740 3.180099       3.505480 
1 1 1 8  2  21 o 214.906 1.6256 362.031  5.4767  364.182  7.8141  359.955  7.6782  215.536 2.3126 214.282 2.2857 1.254013       3.251575 
1 1 1 8  2  22 o 78.965  1.1894 48.877   1.4724  48.924   2.1225  48.833   2.0442  79.001  1.7138 78.928  1.6521 0.7352448E-01  2.380451 
1 1 1 8  2  23 o 472.791 2.8756 1752.49  21.313  1742.61  27.728  1766.74  33.318  471.422 3.7519 474.637 4.4778 -3.215302      5.841925 
1 1 1 8  2  24 o 406.670 2.4053 1296.51  15.334  1285.96  20.702  1309.34  22.825  404.984 3.2608 408.639 3.5629 -3.654388      4.829847 
1 1 1 8  2  25 o 543.088 3.1455 2312.53  26.780  2299.73  36.263  2327.89  39.718  541.518 4.2716 544.795 4.6505 -3.277893      6.314622 
1 1 1 8  2  26 o 374.089 2.4221 1097.11  14.204  1094.92  19.186  1099.77  21.129  373.688 3.2751 374.501 3.5990 -0.8135376     4.866104 
1 1 1 8  2  27 o 193.769 1.3317 294.318  4.0453  293.036  5.4731  295.862  6.0059  193.342 1.8057 194.269 1.9721 -0.9279327     2.673899 
1 1 1 8  2  28 o 301.716 1.8534 713.632  8.7663  714.188  11.926  712.978  12.929  301.818 2.5206 301.556 2.7349 0.2619934      3.719321 
1 1 1 8  2  29 o 171.453 1.2819 230.431  3.4454  235.861  4.9115  225.171  4.8345  173.456 1.8062 169.479 1.8196 3.976624       2.563887 
1 1 1 8  2  30 o 323.063 1.9621 818.223  9.9374  817.502  13.505  819.075  14.675  322.897 2.6679 323.198 2.8964 -0.3013000     3.937888 
1 1 1 8  2  31 o 139.645 1.1135 152.863  2.4376  156.409  3.3551  148.899  3.5474  141.252 1.5152 137.818 1.6419 3.433960       2.234181 
1 1 1 8  2  32 o 626.550 3.7556 3079.41  36.889  3062.27  51.828  3097.01  52.515  624.568 5.2934 628.093 5.3334 -3.525391      7.514359 
1 1 1 8  2  33 o 225.038 1.5358 397.004  5.4179  391.745  7.5632  402.547  7.7650  223.527 2.1584 226.587 2.1860 -3.060104      3.072004 
1 1 1 8  2  34 o 213.373 1.4823 356.916  4.9583  357.927  7.0227  355.912  7.0015  213.660 2.0966 213.058 2.0962 0.6022034      2.964807 
1 1 1 8  2  35 o 156.974 1.2987 193.166  3.1958  194.296  4.7890  192.259  4.2910  157.421 1.9405 156.598 1.7479 0.8233948      2.611699 
1 1 1 8  2  36 f 46.780  1.3634 17.155   0.9999  16.776   1.5441  17.429   1.3121  46.255  2.1295 47.149  1.7752 -0.8942757     2.772339 
1 1 1 8  2  37 o 506.127 3.2078 2009.52  25.452  1998.45  37.559  2018.93  34.612  504.487 4.7490 507.138 4.3536 -2.650238      6.442572 
1 1 1 8  2  38 o 273.744 1.7909 587.526  7.6856  573.370  10.623  603.074  11.133  270.392 2.5061 277.304 2.5610 -6.912445      3.583169 
1 1 1 8  2  39 o 73.532  1.0981 42.386   1.2658  42.733   2.0542  42.174   1.6072  73.826  1.7750 73.346  1.3977 0.4805450      2.259241 
1 1 1 8  2  40 o 276.388 1.8051 598.946  7.8214  607.085  12.322  593.453  10.122  278.203 2.8253 275.091 2.3472 3.111511       3.673050 
1 1 1 8  2  41 o 98.883  1.0885 76.650   1.6874  74.848   2.6765  77.839   2.1738  97.705  1.7474 99.643  1.3916 -1.937920      2.233833 
1 1 1 8  2  42 o 208.509 1.4683 340.851  4.7996  343.915  7.5740  338.794  6.2043  209.413 2.3071 207.865 1.9040 1.548157       2.991293 
1 1 1 8  2  43 o 311.731 1.9935 762.005  9.7423  766.462  15.245  758.927  12.666  312.553 3.1113 311.058 2.5974 1.494507       4.053045 
1 1 1 8  2  44 o 161.210 1.3416 203.746  3.3905  203.368  5.0443  204.058  4.5793  161.042 1.9981 161.320 1.8107 -0.2789459     2.696468 
1 1 1 8  2  45 o 99.639  1.0746 77.829   1.6785  76.984   2.2581  78.873   2.5091  99.092  1.4536 100.297 1.5958 -1.205780      2.158624 
1 1 1 8  2  46 o 149.174 1.1810 174.454  2.7619  174.888  3.7454  173.937  4.0890  149.348 1.5997 148.938 1.7513 0.4108734      2.371933 
1 1 1 8  2  47 o 64.701  1.1314 32.819   1.1476  33.594   1.5123  31.766   1.7621  65.457  1.4737 63.648  1.7660 1.809872       2.300157 
1 1 1 8  2  48 f 148.922 1.2117 173.873  2.8289  173.173  3.7081  174.846  4.3756  148.611 1.5916 149.317 1.8693 -0.7059784     2.455108 
1 1 1 8  2  49 o 98.104  1.1405 75.455   1.7540  75.698   2.1355  74.949   3.0747  98.258  1.3864 97.755  2.0064 0.5031815      2.438771 
1 1 1 8  2  50 o 148.095 1.3909 171.968  3.2291  171.337  4.1947  172.886  5.0592  147.806 1.8103 148.454 2.1739 -0.6481476     2.828949 
1 1 1 8  2  51 o 211.849 1.6654 351.974  5.5309  349.370  7.1351  355.894  8.7546  211.025 2.1568 212.940 2.6225 -1.914978      3.395530 
1 1 1 8  2  52 o 103.550 1.3391 84.081   2.1737  85.057   2.9699  82.955   3.1901  104.132 1.8193 102.830 1.9789 1.301743       2.688113 
1 1 1 8  2  53 o 21.303  3.0472 3.6376   0.9886  3.6273   1.3761  3.6486   1.4212  21.081  4.3095 21.130  4.4321 -0.4825974E-01 6.181796 
1 1 1 8  2  54 o 165.231 1.5241 214.144  3.9478  212.067  5.3002  216.732  5.9166  164.381 2.0568 166.156 2.2714 -1.775116      3.064250 
1 1 1 8  2  55 o 132.036 1.5118 136.756  3.1291  136.761  3.9095  136.746  5.2199  132.009 1.8891 131.939 2.5237 0.7058716E-01  3.152438 
1 1 1 8  2  56 o 38.079  1.7653 11.380   1.0538  11.888   1.4946  10.877   1.4860  38.820  2.4687 37.116  2.5697 1.704250       3.563465 
1 1 1 8  2  57 o 65.557  1.3529 33.714   1.3904  34.058   1.9538  33.361   1.9791  65.865  1.8923 65.186  1.9367 0.6792221      2.707687 
1 1 1 8  2  58 o 10.870  3.9208 0.7781   0.8551  0.9847   1.3560  0.6416   1.1018  12.996  4.8928 11.283  4.3697 1.712441       6.560059 
1 1 1 8  2  59 o 57.115  1.1706 25.588   1.0481  26.366   1.7743  25.172   1.2989  57.938  1.9535 56.636  1.4630 1.302479       2.440565 
1 1 1 8  2  60 o 98.340  1.4525 75.897   2.2392  74.421   2.7504  78.797   3.8564  97.346  1.8023 100.085 2.4579 -2.738724      3.047840 
1 1 1 8  2  61 o 14.009  3.8510 1.6011   0.8719  0.8662   1.0647  3.0980   1.5194  11.789  4.3556 19.364  4.9779 -7.574511      6.614485 
1 1 1 8  2  62 o 22.219  2.6814 3.9446   0.9151  2.8856   1.1179  6.0956   1.5932  18.743  3.9301 27.497  3.7972 -8.754099      5.464833 
1 1 1 8  2  63 o 99.765  1.2956 78.113   2.0263  77.956   2.5944  78.359   3.2448  99.625  1.6612 99.824  2.0735 -0.1994553     2.656856 
1 1 1 8  2  64 o 69.371  1.2699 37.769   1.3810  38.751   1.8809  36.619   2.0343  70.231  1.7083 68.253  1.9013 1.978333       2.556040 
1 1 1 8  2  65 o 57.345  1.2926 25.812   1.1620  25.452   1.5188  26.320   1.8044  56.914  1.7023 57.850  1.9897 -0.9361267     2.618501 
1 1 1 8  2  66 o 68.394  1.1981 36.713   1.2846  36.077   1.6889  37.586   1.9787  67.765  1.5898 69.143  1.8255 -1.377266      2.420687 
1 1 1 8  2  67 o 39.141  2.2250 12.105   1.3596  13.785   2.3889  11.300   1.6535  41.500  3.7110 37.720  2.8166 3.780247       4.658896 
1 1 1 8  2  68 o 35.684  3.0719 10.153   1.7017  7.0216   3.2848  11.302   1.9895  28.599  7.3015 37.591  3.4132 -8.992542      8.059850 
1 1 1 8  2  69 o 18.487  5.0180 2.8481   1.4915  1.4789   2.9704  3.3097   1.7247  17.678  7.0729 19.884  5.3955 -2.206135      8.895941 
1 1 1 8  2  70 o 16.262  4.3110 2.1969   1.1168  2.7620   1.9090  1.9029   1.3771  18.459  5.8667 15.497  4.9890 2.961923       7.701236 
1 1 1 8  2  71 o 72.998  1.4955 41.899   1.7114  45.132   3.3360  40.744   1.9937  75.461  2.8200 71.940  1.7678 3.521484       3.328262 
1 1 1 8  2  72 o 46.818  1.7572 17.263   1.2897  17.945   2.4256  16.995   1.5228  47.344  3.2885 46.406  2.0933 0.9375801      3.898191 
1 1 1 8  2  73 o 25.543  2.6639 5.2302   1.0510  4.8827   1.9610  5.3703   1.2449  23.943  5.3582 25.776  3.1461 -1.833256      6.213572 
1 1 1 8  2  74 o 14.980  4.0352 1.8751   0.9689  1.4715   1.8024  2.0392   1.1490  14.991  5.6416 15.630  4.4664 -0.6382980     7.195588 
1 1 1 8  2  75 o 70.098  1.6539 38.738   1.8175  40.441   4.7013  38.439   1.9707  70.361  4.2825 69.789  1.8013 0.5716248      4.645940 
1 1 1 8  2  76 o 22.488  2.9878 4.1126   1.0272  8.1688   3.0270  3.5847   1.0920  30.314  6.5601 20.839  3.4643 9.474796       7.418643 
1 1 1 8  2  77 o 24.096  5.0326 4.9989   1.8397  7.3462   2.9130  3.4414   2.3729  28.563  6.6327 19.967  6.5574 8.596708       9.326905 
1 1 1 8  2  78 o 51.035  3.0359 21.000   2.4179  15.946   3.7362  24.642   3.1716  42.963  5.6870 54.932  3.7047 -11.96878      6.787251 
1 1 1 8  2  79 o 20.183  5.9840 3.6161   2.0290  7.3836   3.3981  1.5287   2.5293  27.917  7.5726 16.230  6.5151 11.68688       9.989551 
1 1 1 8  2  80 o 15.259  5.5103 1.7843   1.6897  2.3642   2.3564  1.1706   2.4243  17.454  6.4736 15.393  6.3046 2.061432       9.036328 
1 1 1 8  2  81 o 45.704  2.8709 16.865   2.0465  16.607   2.8342  17.146   2.9582  44.693  4.0906 45.341  4.2099 -0.6486549     5.869905 
1 1 1 8  2  82 o 12.867  5.2355 0.7756   1.6581  -0.0026  2.3054  1.6094   2.3865  13.269  5.8105 15.961  6.3550 -2.691216      8.610935 
1 1 1 8  2  83 o 14.621  5.4112 1.6057   1.6447  1.2342   2.2872  2.0035   2.3667  15.048  6.1390 16.555  6.4063 -1.507251      8.872833 
1 1 1 8  2  84 o 16.106  5.5064 2.2147   1.6712  -0.6526  2.2830  5.5248   2.4529  12.246  5.5421 24.188  6.3778 -11.94265      8.449337 
1 1 1 8  2  85 o 33.549  4.1352 9.6058   2.1288  8.8089   3.7258  9.9921   2.5939  29.043  7.9508 33.557  5.0905 -4.514118      9.440793 
1 1 1 8  3  0  o 77.822  1.5427 47.528   1.8804  47.528   1.8804  47.528   1.8804  77.822  1.5427 77.822  1.5427 0.000000       0.000000 
1 1 1 8  3  1  o 138.149 1.2220 149.601  2.6464  148.091  3.9020  150.886  3.6012  137.448 1.8109 138.740 1.6558 -1.291672      2.453763 
1 1 1 8  3  2  f 461.097 2.8107 1666.77  20.317  1663.77  28.685  1669.80  28.780  460.644 3.9722 461.478 3.9782 -0.8336487     5.621770 
1 1 1 8  3  3  f 296.361 1.9030 688.492  8.8412  694.375  12.600  682.785  12.409  297.614 2.7006 295.120 2.6822 2.493835       3.806203 
1 1 1 8  3  4  o 642.109 3.8443 3232.73  38.697  3230.32  54.671  3235.15  54.781  641.774 5.4340 642.254 5.4409 -0.4792480     7.689710 
1 1 1 8  3  5  o 582.339 3.5001 2658.78  31.953  2629.74  44.691  2689.14  45.703  579.081 4.9230 585.581 4.9786 -6.500549      7.001589 
1 1 1 8  3  6  o 419.055 2.5737 1376.65  16.908  1360.12  23.637  1393.97  24.196  416.504 3.6201 421.655 3.6604 -5.150635      5.148133 
1 1 1 8  3  7  o 386.865 2.5020 1173.27  15.174  1198.13  20.968  1145.93  21.987  390.921 3.4214 382.304 3.6686 8.616760       5.016437 
1 1 1 8  3  8  f 828.274 5.1371 5380.28  66.703  5351.09  89.804  5416.20  99.621  825.842 6.9366 830.764 7.6493 -4.921509      10.32606 
1 1 1 8  3  9  o 863.299 5.3514 5845.21  72.425  5811.11  97.428  5887.33  108.276 860.571 7.2218 866.095 7.9747 -5.524536      10.75871 
1 1 1 8  3  10 o 480.023 3.0447 1806.47  22.912  1779.52  30.540  1841.16  34.653  476.393 4.0894 484.553 4.5620 -8.160187      6.126525 
1 1 1 8  3  11 o 396.668 2.5572 1233.49  15.902  1224.82  21.388  1244.20  23.779  395.249 3.4518 398.354 3.8078 -3.104248      5.139491 
1 1 1 8  3  12 o 350.824 2.2946 964.831  12.620  955.155  16.913  976.987  18.956  349.045 3.0908 353.004 3.4254 -3.958588      4.613728 
1 1 1 8  3  13 o 205.030 1.5067 329.519  4.8429  321.835  6.4177  339.681  7.3808  202.622 2.0204 208.162 2.2618 -5.539825      3.032746 
1 1 1 8  3  14 o 236.456 1.6620 438.278  6.1609  440.215  8.3698  435.987  9.1019  236.972 2.2530 235.829 2.4620 1.143005       3.337258 
1 1 1 8  3  15 o 98.573  1.4055 76.165   2.1719  75.185   3.2675  76.941   2.9071  97.934  2.1283 99.072  1.8718 -1.138039      2.834281 
1 1 1 8  3  16 o 257.162 1.8684 518.406  7.5322  521.570  11.977  516.337  9.6878  257.930 2.9620 256.641 2.4079 1.288513       3.817314 
1 1 1 8  3  17 o 399.654 2.5776 1252.16  16.149  1267.76  24.219  1239.67  21.670  402.099 3.8422 397.631 3.4763 4.467957       5.181425 
1 1 1 8  3  18 o 210.009 1.4709 345.718  4.8426  348.652  6.8791  342.835  6.8184  210.893 2.0807 209.126 2.0798 1.766739       2.941925 
1 1 1 8  3  19 o 236.369 1.7550 437.963  6.5030  431.999  8.2482  447.759  10.571  234.749 2.2413 238.984 2.8217 -4.235168      3.603505 
1 1 1 8  3  20 o 91.326  1.2169 65.378   1.7422  65.121   2.2129  65.798   2.8254  91.145  1.5487 91.616  1.9672 -0.4707260     2.503691 
1 1 1 8  3  21 o 252.151 1.9479 498.410  7.6997  497.336  10.248  499.802  11.667  251.869 2.5955 252.486 2.9476 -0.6171417     3.927485 
1 1 1 8  3  22 o 405.469 2.6147 1288.90  16.620  1285.81  20.738  1294.44  27.790  404.962 3.2666 406.272 4.3633 -1.309753      5.450576 
1 1 1 8  3  23 o 829.493 5.4015 5397.75  70.240  5412.47  84.146  5363.92  127.559 830.474 6.4633 826.088 9.8498 4.385437       11.78104 
1 1 1 8  3  24 o 332.580 2.1991 867.123  11.466  860.744  14.214  879.007  19.401  331.341 2.7364 334.807 3.6964 -3.465271      4.599011 
1 1 1 8  3  25 o 301.419 2.0273 712.236  9.5796  728.710  13.226  694.055  13.894  304.868 2.7673 297.524 2.9788 7.343536       4.065908 
1 1 1 8  3  26 o 262.249 1.8155 539.139  7.4639  544.624  10.169  532.732  10.990  263.567 2.4610 260.668 2.6895 2.898621       3.645535 
1 1 1 8  3  27 o 76.003  1.1805 45.280   1.4066  44.499   1.8839  46.264   2.1144  75.343  1.5950 76.822  1.7557 -1.479164      2.372029 
1 1 1 8  3  28 o 369.327 2.4117 1069.43  13.963  1078.65  20.879  1061.96  18.782  370.861 3.5912 367.999 3.2556 2.862579       4.847258 
1 1 1 8  3  29 o 422.153 2.8479 1397.42  18.847  1403.96  26.795  1391.02  26.514  423.059 4.0402 421.106 4.0163 1.952454       5.696882 
1 1 1 8  3  30 o 256.040 1.7038 513.931  6.8386  514.103  9.6692  513.759  9.6734  256.064 2.4087 255.978 2.4106 0.8580017E-01  3.407769 
1 1 1 8  3  31 o 292.452 1.8922 670.533  8.6751  669.843  12.241  671.229  12.296  292.272 2.6716 292.574 2.6808 -0.3017273     3.784781 
1 1 1 8  3  32 o 160.195 1.2099 201.169  3.0384  206.223  4.1897  195.562  4.4128  162.189 1.6478 157.939 1.7823 4.250137       2.427289 
1 1 1 8  3  33 o 410.525 2.4368 1321.56  15.682  1352.86  21.810  1288.07  22.565  415.279 3.3502 405.192 3.5524 10.08704       4.882976 
1 1 1 8  3  34 o 274.451 1.8007 590.544  7.7473  597.522  11.073  583.853  10.843  276.036 2.5589 272.861 2.5348 3.174347       3.601873 
1 1 1 8  3  35 o 265.045 1.7518 550.762  7.2786  547.124  10.223  554.503  10.366  264.138 2.4687 265.912 2.4866 -1.774200      3.504010 
1 1 1 8  3  36 o 244.093 1.6484 467.121  6.3077  469.554  8.9489  464.719  8.8922  244.701 2.3328 243.438 2.3301 1.263016       3.297153 
1 1 1 8  3  37 o 231.193 1.5851 419.047  5.7450  423.708  8.1892  414.531  8.0616  232.450 2.2473 229.919 2.2366 2.530594       3.170614 
1 1 1 8  3  38 o 35.806  1.7124 10.052   0.9612  9.4583   1.2713  10.845   1.4687  34.649  2.3544 37.099  2.5406 -2.449612      3.463829 
1 1 1 8  3  39 o 80.067  1.1138 50.254   1.3980  50.147   1.9857  50.360   1.9686  79.977  1.5838 80.146  1.5669 -0.1692200     2.227882 
1 1 1 8  3  40 o 229.032 1.5771 411.258  5.6626  412.113  8.0085  410.403  8.0078  229.243 2.2284 228.767 2.2329 0.4763489      3.154624 
1 1 1 8  3  41 o 175.846 1.3357 242.417  3.6822  238.599  5.1323  246.466  5.2860  174.441 1.8768 177.293 1.9019 -2.851563      2.671954 
1 1 1 8  3  42 o 140.868 1.2484 155.566  2.7570  156.723  3.7833  154.255  4.0259  141.381 1.7070 140.260 1.8309 1.120575       2.503225 
1 1 1 8  3  43 o 103.087 1.1652 83.309   1.8830  85.708   2.6372  80.814   2.6893  104.554 1.6090 101.523 1.6897 3.030296       2.333266 
1 1 1 8  3  44 o 356.364 2.3361 996.046  13.051  1001.19  17.794  990.058  19.199  357.189 3.1778 355.162 3.4482 2.027283       4.689220 
1 1 1 8  3  45 o 179.888 1.4794 253.714  4.1719  252.891  5.9663  254.501  5.8358  179.571 2.1194 180.145 2.0665 -0.5731964     2.960087 
1 1 1 8  3  46 f 438.703 2.9586 1510.28  20.347  1509.00  28.769  1511.56  28.782  438.267 4.1873 438.639 4.1857 -0.3726196     5.920576 
1 1 1 8  3  47 o 226.702 1.7253 403.012  6.1315  395.392  8.5643  411.025  8.7822  224.502 2.4334 228.896 2.4474 -4.394028      3.451293 
1 1 1 8  3  48 o 249.507 1.7489 488.196  6.8408  494.323  9.3392  481.103  10.049  251.018 2.3733 247.618 2.5886 3.399643       3.511886 
1 1 1 8  3  49 o 49.875  1.2615 19.503   0.9863  19.722   1.2398  19.125   1.6280  50.151  1.5769 49.377  2.1032 0.7736092      2.628679 
1 1 1 8  3  50 o 114.765 1.1150 103.264  2.0060  105.951  2.6280  99.513   3.1051  116.240 1.4422 112.642 1.7584 3.597931       2.274167 
1 1 1 8  3  51 o 97.000  1.2424 73.776   1.8893  75.743   2.8560  72.245   2.5192  98.265  1.8540 95.975  1.6744 2.289322       2.498172 
1 1 1 8  3  52 o 9.4108  3.7373 0.3597   0.8234  -0.1781  1.3232  0.6996   1.0519  10.310  4.4594 11.299  4.2962 -0.9886837     6.192200 
1 1 1 8  3  53 o 208.309 1.7410 340.427  5.6855  340.994  7.6402  339.725  8.5111  208.409 2.3385 207.980 2.6104 0.4288177      3.504694 
1 1 1 8  3  54 o 91.482  1.3421 65.638   1.9247  65.011   2.5785  66.427   2.8922  91.022  1.8071 91.996  2.0055 -0.9737930     2.699501 
1 1 1 8  3  55 o 60.727  1.6890 28.937   1.6080  28.858   1.8601  29.169   3.1985  60.633  1.9569 60.779  3.3701 -0.1463509     3.897081 
1 1 1 8  3  56 o 147.464 1.5424 170.625  3.5655  172.199  4.5946  168.242  5.6532  148.094 1.9791 146.314 2.4647 1.779327       3.160896 
1 1 1 8  3  57 o 134.232 1.4959 141.385  3.1478  144.547  4.1110  136.904  4.8941  135.675 1.9328 131.981 2.3654 3.694412       3.054669 
1 1 1 8  3  58 o 77.638  1.5793 47.309   1.9221  48.204   2.4526  45.886   3.0946  78.337  1.9971 76.376  2.5846 1.961136       3.266314 
1 1 1 8  3  59 o 125.946 1.5535 124.510  3.0672  126.033  3.7523  121.444  5.3248  126.671 1.8896 124.203 2.7347 2.468185       3.324055 
1 1 1 8  3  60 o 75.596  1.4907 44.857   1.7666  45.084   2.1792  44.421   3.0171  75.760  1.8349 75.124  2.5618 0.6353760      3.151147 
1 1 1 8  3  61 o 9.5526  3.8407 0.3334   0.8805  0.8156   1.1861  -0.2586  1.3143  12.014  4.5636 10.079  4.4010 1.935366       6.339920 
1 1 1 8  3  62 o 42.455  1.7187 14.159   1.1439  14.109   1.6513  14.205   1.5860  42.255  2.5040 42.414  2.3951 -0.1593056     3.465062 
1 1 1 8  3  63 o 126.910 1.4520 126.456  2.8888  127.695  3.2942  122.330  6.0102  127.500 1.6481 124.463 3.0803 3.037628       3.493531 
1 1 1 8  3  64 o 8.1630  3.5471 -0.1359  0.8450  0.2435   0.9302  -1.9255  2.0203  9.5110  3.9016 10.525  4.9220 -1.013883      6.280764 
1 1 1 8  3  65 o 54.393  1.4067 23.232   1.1995  23.586   1.3324  21.716   2.7553  54.796  1.5511 52.264  3.3810 2.532669       3.719816 
1 1 1 8  3  66 o 7.8211  3.2534 0.1092   0.6591  0.4637   0.7173  -1.8138  1.6706  9.2501  3.5405 9.3286  4.3979 -0.7845974E-01 5.645983 
1 1 1 8  3  67 o 14.859  4.5472 1.7746   1.1582  1.9589   1.5500  1.5415   1.7428  15.947  5.3029 15.229  5.5814 0.7179050      7.698821 
1 1 1 8  3  68 o 61.606  2.0941 29.896   2.0224  28.221   3.1244  31.103   2.6532  59.534  3.3614 62.736  2.6977 -3.201569      4.310112 
1 1 1 8  3  69 o 21.304  3.9199 3.7334   1.2609  4.8642   2.2911  3.2421   1.5102  23.919  6.0931 19.670  4.9123 4.249624       7.826616 
1 1 1 8  3  70 o 36.522  2.4689 10.589   1.4053  12.615   2.6117  9.7634   1.6672  39.410  4.2969 34.939  3.0751 4.470390       5.283919 
1 1 1 8  3  71 f 32.897  2.3644 8.5971   1.2112  8.9176   1.7780  8.3195   1.6546  33.263  3.4603 32.149  3.3313 1.113628       4.803296 
1 1 1 8  3  72 o 54.840  1.7519 23.694   1.5062  23.942   2.2448  23.490   2.0313  54.958  2.6054 54.489  2.3780 0.4698029      3.527510 
1 1 1 8  3  73 o 9.6281  4.0840 0.0759   1.0705  0.0244   1.6214  0.1158   1.4252  11.595  4.9751 11.080  4.7068 0.5148182      6.848717 
1 1 1 8  3  74 o 14.914  4.6020 1.8271   1.1835  0.8050   1.5779  3.1415   1.7894  12.949  5.1638 19.180  5.6013 -6.231332      7.618332 
1 1 1 8  3  75 o 18.631  4.1368 2.9288   1.1768  3.1848   1.5543  2.5850   1.8012  19.253  5.0770 17.623  5.7092 1.630859       7.640106 
1 1 1 8  3  76 o 52.408  2.0501 21.754   1.6843  23.705   2.9930  20.850   2.0376  54.045  3.5524 51.166  2.5403 2.879139       4.367206 
1 1 1 8  3  77 o 17.351  4.7447 2.5857   1.3277  1.1591   2.2904  3.3077   1.6294  15.205  6.1658 19.491  5.2257 -4.286016      8.082400 
1 1 1 8  3  78 o 73.073  1.9203 42.298   2.1998  40.787   3.6859  43.134   2.7416  71.025  3.3104 73.587  2.3766 -2.561676      4.075151 
1 1 1 8  3  79 o 55.748  2.0041 24.657   1.7515  20.730   3.0410  26.606   2.1425  50.154  3.8984 57.773  2.3656 -7.618603      4.559996 
1 1 1 8  3  80 o 20.001  3.7191 3.3643   1.1232  3.0429   2.4330  3.4513   1.2662  18.888  6.6344 20.116  4.1527 -1.228695      7.826869 
1 1 1 8  3  81 o 21.447  5.8571 4.1544   2.0248  4.1793   2.4811  4.1047   3.5035  21.336  6.6764 21.434  7.9047 -0.9811592E-01 10.34691 
1 1 1 8  3  82 o 27.444  5.2043 6.6292   2.1571  3.8043   2.6281  12.462   3.7764  20.411  6.9057 36.600  6.8331 -16.18817      9.714917 
1 1 1 8  3  83 o 9.3388  4.4048 -1.5734  1.6795  -3.1710  2.3900  -0.0149  2.3606  10.201  4.9293 13.275  5.8446 -3.073904      7.645774 
1 1 1 8  3  84 o 34.446  3.6537 9.9219   1.9429  10.558   2.7726  9.3080   2.7234  34.423  5.3085 32.057  5.6243 2.366112       7.733870 
1 1 1 8  4  0  o 934.555 7.8399 6851.61  114.841 6851.61  114.841 6851.61  114.841 934.555 7.8399 934.555 7.8399 -0.000000      0.000000 
1 1 1 8  4  1  o 294.854 1.9861 681.512  9.1804  665.126  12.174  703.113  13.978  291.278 2.6661 299.475 2.9773 -8.196899      3.996586 
1 1 1 8  4  2  o 105.320 1.1127 86.947   1.8371  87.852   2.5996  86.044   2.5964  105.865 1.5664 104.770 1.5808 1.094986       2.225457 
1 1 1 8  4  3  o 455.676 2.6764 1627.80  19.119  1598.97  27.626  1654.30  26.487  451.585 3.9023 459.339 3.6783 -7.754059      5.362630 
1 1 1 8  4  4  o 580.893 3.3586 2645.57  30.585  2630.27  44.729  2659.00  41.915  579.133 4.9267 582.307 4.5916 -3.174072      6.734626 
1 1 1 8  4  5  o 337.189 2.0479 891.271  10.825  888.770  15.878  893.444  14.798  336.699 3.0081 337.587 2.7961 -0.8885498     4.106946 
1 1 1 8  4  6  o 305.299 1.8818 730.645  9.0064  738.622  13.374  724.027  12.183  306.947 2.7794 303.903 2.5572 3.044037       3.776801 
1 1 1 8  4  7  o 203.245 1.3869 323.803  4.4190  322.437  6.4599  325.004  6.0582  202.811 2.0318 203.618 1.8979 -0.8068695     2.780339 
1 1 1 8  4  8  o 456.378 2.6789 1632.83  19.166  1628.62  28.135  1636.47  26.181  455.750 3.9380 456.856 3.6555 -1.106506      5.373137 
1 1 1 8  4  9  o 150.188 1.1756 176.810  2.7679  172.538  3.9893  180.775  3.8436  148.360 1.7153 151.861 1.6145 -3.500488      2.355563 
1 1 1 8  4  10 o 437.847 2.5810 1502.90  17.716  1504.80  26.088  1501.28  24.133  438.086 3.7986 437.584 3.5181 0.5022278      5.177499 
1 1 1 8  4  11 o 499.649 2.9140 1957.19  22.825  1956.73  33.566  1957.59  31.130  499.536 4.2863 499.660 3.9743 -0.1236267     5.845263 
1 1 1 8  4  12 o 171.866 1.3097 231.538  3.5288  235.660  5.0633  227.644  4.9207  173.386 1.8628 170.412 1.8419 2.974030       2.619691 
1 1 1 8  4  13 o 594.476 3.5755 2770.89  33.322  2798.25  47.578  2744.55  46.683  597.315 5.0810 591.559 5.0340 5.756409       7.152436 
1 1 1 8  4  14 o 534.820 3.2359 2242.57  27.130  2276.58  38.913  2210.40  37.845  538.794 4.6070 530.907 4.5471 7.886475       6.473085 
1 1 1 8  4  15 o 50.044  1.3617 19.631   1.0683  20.217   1.5034  19.033   1.5184  50.785  1.8884 49.275  1.9656 1.509888       2.725725 
1 1 1 8  4  16 o 186.836 1.4468 273.633  4.2376  264.791  6.1066  281.844  5.8853  183.788 2.1195 189.615 1.9799 -5.827042      2.900377 
1 1 1 8  4  17 o 217.427 1.5185 370.574  5.1759  374.065  7.3583  367.155  7.2820  218.442 2.1488 216.415 2.1464 2.026794       3.037121 
1 1 1 8  4  18 o 398.307 2.4669 1243.74  15.404  1229.35  21.504  1258.90  22.075  395.967 3.4642 400.695 3.5143 -4.727448      4.934657 
1 1 1 8  4  19 o 393.562 2.4414 1214.28  15.063  1216.34  19.726  1211.40  23.328  393.874 3.1947 393.051 3.7860 0.8225098      4.953762 
1 1 1 8  4  20 o 287.371 1.7940 647.365  8.0822  657.797  11.153  635.826  11.729  289.666 2.4560 284.784 2.6272 4.882111       3.596374 
1 1 1 8  4  21 o 223.902 1.4935 392.977  5.2424  394.280  7.1450  391.458  7.7155  224.266 2.0323 223.460 2.2025 0.8062897      2.996841 
1 1 1 8  4  22 o 134.695 1.1944 142.216  2.5220  138.470  3.4774  146.372  3.6632  132.907 1.6690 136.646 1.7100 -3.739563      2.389492 
1 1 1 8  4  23 o 147.356 1.1812 170.208  2.7286  168.958  3.6877  171.720  4.0563  146.811 1.6023 148.005 1.7482 -1.194214      2.371408 
1 1 1 8  4  24 o 463.743 2.8365 1686.17  20.621  1652.36  26.409  1738.99  33.010  459.027 3.6699 470.852 4.4721 -11.82474      5.785115 
1 1 1 8  4  25 o 436.122 2.5750 1491.24  17.605  1465.82  23.544  1523.49  26.516  432.345 3.4737 440.744 3.8377 -8.399384      5.176337 
1 1 1 8  4  26 o 145.015 1.2289 164.845  2.7937  167.999  3.6575  160.427  4.3283  146.393 1.5937 143.052 1.9301 3.340744       2.503034 
1 1 1 8  4  27 o 93.211  1.2205 68.106   1.7834  68.199   2.2691  67.956   2.8845  93.272  1.5518 93.103  1.9763 0.1691818      2.512779 
1 1 1 8  4  28 o 555.997 3.3601 2424.45  29.287  2403.25  37.956  2455.65  46.041  553.451 4.3747 559.335 5.2508 -5.884094      6.834352 
1 1 1 8  4  29 o 178.104 1.4158 248.669  3.9531  254.434  5.3944  241.981  5.8097  180.149 1.9101 175.682 2.1095 4.467545       2.845748 
1 1 1 8  4  30 o 249.507 1.8419 488.063  7.2044  483.239  10.001  493.266  10.387  248.247 2.5699 250.806 2.6417 -2.559448      3.685519 
1 1 1 8  4  31 o 426.946 2.7496 1429.50  18.403  1411.52  24.550  1452.56  27.804  424.169 3.6920 430.244 4.1223 -6.075378      5.533943 
1 1 1 8  4  32 o 139.435 1.2646 152.412  2.7643  155.976  3.7436  148.139  4.0991  141.049 1.6930 137.456 1.9023 3.592880       2.546552 
1 1 1 8  4  33 o 74.126  1.3952 43.075   1.6213  46.877   2.5356  40.446   2.1086  77.321  2.0919 71.824  1.8727 5.496925       2.807697 
1 1 1 8  4  34 o 317.825 2.1335 792.053  10.630  810.878  14.683  771.318  15.409  321.530 2.9129 313.573 3.1347 7.957672       4.279203 
1 1 1 8  4  35 f 617.019 3.8790 2987.84  37.521  2977.77  50.569  3000.18  55.965  615.664 5.2395 617.826 5.7783 -2.161926      7.800026 
1 1 1 8  4  36 o 113.108 1.2102 100.291  2.1459  100.443  2.8674  100.098  3.2352  113.188 1.6159 112.990 1.8265 0.1979675      2.438711 
1 1 1 8  4  37 o 57.503  1.3775 25.922   1.2418  24.257   1.5630  28.773   2.0448  55.622  1.7925 60.575  2.1533 -4.953266      2.801719 
1 1 1 8  4  38 o 339.610 2.2470 904.449  11.963  910.930  16.331  896.943  17.574  340.758 3.0570 338.107 3.3156 2.651367       4.509841 
1 1 1 8  4  39 o 59.652  1.2498 27.896   1.1688  26.898   1.6503  28.900   1.6555  58.571  1.7974 60.712  1.7394 -2.140949      2.501172 
1 1 1 8  4  40 o 370.096 2.3179 1074.19  13.448  1052.27  18.658  1097.89  19.402  366.207 3.2499 374.054 3.3087 -7.847046      4.637867 
1 1 1 8  4  41 o 413.124 2.5542 1338.68  16.542  1347.43  23.569  1330.19  23.222  414.329 3.6286 411.676 3.5983 2.653259       5.110209 
1 1 1 8  4  42 o 489.646 2.9848 1881.09  22.912  1856.80  31.995  1906.65  32.824  486.245 4.1974 492.717 4.2495 -6.472321      5.972991 
1 1 1 8  4  43 o 81.425  1.1829 51.977   1.5099  51.602   2.2370  52.290   2.0463  81.123  1.7590 81.665  1.5984 -0.5420532     2.376764 
1 1 1 8  4  44 o 168.374 1.3554 222.265  3.5776  221.469  5.3080  222.928  4.8430  168.049 2.0148 168.609 1.8322 -0.5597992     2.723343 
1 1 1 8  4  45 f 161.446 1.3816 204.356  3.4968  203.772  5.0099  204.910  4.8829  161.194 1.9826 161.645 1.9269 -0.4519043     2.764686 
1 1 1 8  4  46 o 52.636  1.3712 21.722   1.1314  24.245   1.7380  19.867   1.4905  55.600  1.9940 50.332  1.8890 5.268463       2.746738 
1 1 1 8  4  47 o 168.908 1.4113 223.695  3.7369  217.613  5.2432  229.974  5.3272  166.569 2.0079 171.236 1.9845 -4.666641      2.823147 
1 1 1 8  4  48 o 244.637 1.7936 469.365  6.8785  474.968  9.9015  464.140  9.5629  246.021 2.5673 243.207 2.5082 2.814163       3.589129 
1 1 1 8  4  49 o 152.605 1.5279 182.623  3.6553  180.437  4.6395  186.201  5.9353  151.667 1.9513 154.037 2.4579 -2.370178      3.138311 
1 1 1 8  4  50 o 118.937 1.2861 110.922  2.3980  109.907  2.8939  113.146  4.2837  118.382 1.5594 120.077 2.2756 -1.695396      2.758636 
1 1 1 8  4  51 o 78.580  1.2551 48.419   1.5461  48.183   1.7526  49.249   3.2829  78.383  1.4263 79.196  2.6442 -0.8133392     3.004395 
1 1 1 8  4  52 o 138.321 1.6442 150.087  3.5653  151.231  4.8384  148.727  5.2739  138.803 2.2236 137.628 2.4444 1.174515       3.304433 
1 1 1 8  4  53 o 246.544 2.0936 477.144  8.0919  478.143  10.343  475.567  12.992  246.689 2.6745 245.851 3.3710 0.8377838      4.303070 
1 1 1 8  4  54 o 63.799  1.4903 31.931   1.4905  33.453   1.9964  30.015   2.2405  65.281  1.9508 61.818  2.3119 3.463360       3.024955 
1 1 1 8  4  55 o 167.776 1.6304 220.891  4.2881  224.672  5.5381  215.230  6.7762  169.144 2.0886 165.464 2.6123 3.679596       3.344603 
1 1 1 8  4  56 o 118.354 1.4699 109.912  2.7273  109.029  3.4393  111.407  4.4765  117.842 1.8618 119.054 2.3985 -1.212646      3.036279 
1 1 1 8  4  57 o 82.606  1.7413 53.573   2.2549  54.961   3.3695  52.448   3.0347  83.590  2.5713 81.678  2.3700 1.911713       3.496940 
1 1 1 8  4  58 o 118.420 1.3950 110.044  2.5897  107.701  3.4248  113.171  3.9576  117.101 1.8656 120.005 2.1037 -2.904106      2.811759 
1 1 1 8  4  59 o 58.970  1.4946 27.296   1.3817  27.950   1.8629  26.497   2.0599  59.639  1.9925 58.047  2.2637 1.592102       3.015657 
1 1 1 8  4  60 o 110.592 1.4369 96.003   2.4912  97.462   3.2028  93.768   3.9640  111.380 1.8343 109.174 2.3161 2.205528       2.954477 
1 1 1 8  4  61 o 61.522  1.4368 29.713   1.3857  27.761   1.8189  32.412   2.1393  59.429  1.9523 64.198  2.1256 -4.768475      2.886160 
1 1 1 8  4  62 o 62.028  1.5826 30.217   1.5389  33.515   2.3039  27.560   2.0679  65.259  2.2520 59.181  2.2289 6.078430       3.168545 
1 1 1 8  4  63 o 85.122  1.2832 56.873   1.7123  60.284   2.4476  53.603   2.3963  87.582  1.7827 82.577  1.8511 5.004448       2.569911 
1 1 1 8  4  64 o 84.610  1.2527 56.192   1.6616  56.987   2.1601  55.039   2.6002  85.167  1.6179 83.650  1.9829 1.517273       2.559162 
1 1 1 8  4  65 f 28.390  1.7773 6.3612   0.7870  7.1273   0.9905  5.0493   1.2962  30.017  2.1185 25.024  3.3915 4.992945       3.998785 
1 1 1 8  4  66 o 53.936  1.5413 22.858   1.3033  22.595   2.1916  23.002   1.6210  53.503  2.6130 54.070  1.9124 -0.5673485     3.238039 
1 1 1 8  4  67 o 21.836  3.6069 3.8873   1.1916  4.8184   1.7048  2.9979   1.6662  24.115  4.6783 18.990  5.3618 5.125666       7.115843 
1 1 1 8  4  68 o 20.714  3.7876 3.5239   1.1846  3.9953   1.6696  3.0459   1.6811  21.835  4.9871 19.106  5.3826 2.728600       7.337818 
1 1 1 8  4  69 o 48.404  2.0865 18.471   1.5832  19.819   2.5049  17.575   2.0431  49.839  3.2232 47.029  2.7836 2.810352       4.258845 
1 1 1 8  4  70 o 28.964  3.0437 6.7354   1.3614  6.1327   2.1345  7.1488   1.7675  27.020  5.2281 29.633  3.8995 -2.612980      6.522199 
1 1 1 8  4  71 o 15.598  4.5949 2.0095   1.1996  2.3004   1.7177  1.7326   1.6759  16.959  5.5796 15.430  5.4973 1.529562       7.832754 
1 1 1 8  4  72 o 32.710  2.5628 8.5357   1.3037  7.6812   1.8702  9.3434   1.8182  30.635  3.9889 33.998  3.4596 -3.362730      5.280134 
1 1 1 8  4  73 o 18.117  4.1652 2.7615   1.1582  3.3241   1.6557  2.2225   1.6208  19.708  5.2608 16.554  5.4186 3.153793       7.552313 
1 1 1 8  4  74 o 38.445  2.1275 11.736   1.2773  14.676   2.0118  9.7507   1.6532  42.741  3.0220 34.785  3.0630 7.955566       4.302795 
1 1 1 8  4  75 o 43.535  1.9275 14.991   1.3155  14.668   1.9871  15.243   1.7552  42.699  2.9874 43.674  2.5750 -0.9749107     3.944015 
1 1 1 8  4  76 o 24.004  3.0367 4.6942   1.1171  7.1098   1.6858  2.8029   1.4917  29.366  3.7474 18.025  5.0676 11.34043       6.302697 
1 1 1 8  4  77 o 19.061  4.2987 3.1043   1.2539  3.4024   2.3659  2.9879   1.4786  19.760  6.5505 18.552  4.9797 1.208424       8.228420 
1 1 1 8  4  78 o 36.739  2.4922 10.824   1.4269  12.616   2.8151  10.204   1.6552  38.599  4.7526 35.486  3.0036 3.112984       5.622206 
1 1 1 8  4  79 o 52.297  2.4083 21.829   1.9744  21.351   3.2409  22.112   2.4898  50.719  4.1115 52.271  3.0517 -1.551590      5.120285 
1 1 1 8  4  80 o 14.838  5.1879 1.7540   1.4869  4.1313   2.6023  0.6016   1.8119  21.234  6.8605 12.954  5.3918 8.280057       8.725678 
1 1 1 8  4  81 o 38.269  2.5840 11.797   1.5411  12.095   2.8354  11.672   1.8360  37.471  4.9479 37.832  3.1236 -0.3611069     5.851400 
1 1 1 8  4  82 o 14.157  5.3125 1.4567   1.5960  1.5828   2.5447  1.3749   2.0492  16.050  6.5023 14.820  5.8926 1.230336       8.775104 
1 1 1 8  4  83 o 11.630  5.2426 -0.5416  2.0194  0.9513   2.4264  -3.9055  3.6423  14.724  6.1917 12.745  6.1400 1.979772       8.719929 
1 1 1 8  4  84 o 20.623  6.1127 4.0373   2.1174  6.8069   2.5968  -1.4571  3.6576  26.695  6.3057 14.362  6.6850 12.33301       9.189690 
1 1 1 8  5  0  o 211.380 2.1261 350.350  7.0436  350.350  7.0436  350.350  7.0436  211.380 2.1261 211.380 2.1261 0.000000       0.000000 
1 1 1 8  5  1  o 544.222 3.0492 2322.00  26.015  2340.03  37.094  2304.56  36.494  546.274 4.3315 542.121 4.2941 4.153442       6.099281 
1 1 1 8  5  2  o 885.559 4.8710 6150.08  67.622  6157.21  95.739  6142.99  95.526  885.845 6.8941 884.823 6.8867 1.022217       9.744514 
1 1 1 8  5  3  o 479.631 2.7092 1803.46  20.370  1802.13  28.793  1804.80  28.823  479.416 3.8310 479.770 3.8322 -0.3543091     5.418745 
1 1 1 8  5  4  o 415.447 2.3754 1353.04  15.471  1327.57  21.463  1380.57  22.320  411.496 3.3271 419.627 3.3930 -8.131104      4.752046 
1 1 1 8  5  5  o 472.801 2.6728 1752.46  19.811  1746.83  27.904  1758.19  28.130  472.004 3.7711 473.535 3.7894 -1.531281      5.346128 
1 1 1 8  5  6  o 308.663 1.8384 746.838  8.8956  751.451  12.648  742.323  12.514  309.603 2.6059 307.717 2.5941 1.885864       3.676969 
1 1 1 8  5  7  o 358.358 2.0834 1006.70  11.704  1016.16  16.704  997.583  16.404  360.018 2.9597 356.714 2.9334 3.304443       4.167099 
1 1 1 8  5  8  o 555.204 3.1042 2416.72  27.019  2428.60  38.377  2405.04  38.045  556.505 4.3989 553.799 4.3822 2.705139       6.209216 
1 1 1 8  5  9  o 192.678 1.3080 291.007  3.9508  283.257  5.4612  299.516  5.7226  190.091 1.8326 195.470 1.8675 -5.379303      2.616488 
1 1 1 8  5  10 o 618.695 3.4440 3001.23  33.403  2987.80  46.998  3014.94  47.485  617.222 4.8572 620.018 4.8853 -2.795166      6.889058 
1 1 1 8  5  11 o 494.206 2.7870 1914.79  21.592  1900.52  30.276  1929.57  30.804  492.315 3.9228 496.062 3.9611 -3.746521      5.574808 
1 1 1 8  5  12 o 482.748 2.7268 1827.02  20.636  1824.63  29.155  1829.43  29.212  482.388 3.8554 483.021 3.8578 -0.6337280     5.454088 
1 1 1 8  5  13 f 339.944 1.9949 905.906  10.631  896.335  14.868  915.920  15.208  338.127 2.8049 341.801 2.8381 -3.673370      3.990276 
1 1 1 8  5  14 o 635.852 3.8174 3170.29  38.052  3170.82  53.792  3169.75  53.835  635.786 5.3970 635.679 5.4022 0.1070557      7.636207 
1 1 1 8  5  15 o 590.282 3.4184 2731.97  31.633  2703.01  46.016  2757.93  43.556  587.041 5.0002 592.999 4.6853 -5.957764      6.852320 
1 1 1 8  5  16 o 326.188 2.0017 834.081  10.236  834.282  15.041  833.907  13.969  326.207 2.9413 326.139 2.7321 0.6820679E-01  4.014426 
1 1 1 8  5  17 o 587.267 3.5394 2704.26  32.585  2694.42  45.875  2714.28  46.292  586.096 4.9929 588.249 5.0198 -2.153259      7.080092 
1 1 1 8  5  18 o 416.695 2.5784 1361.27  16.843  1373.87  24.014  1349.07  23.631  418.577 3.6596 414.784 3.6341 3.792542       5.157459 
1 1 1 8  5  19 o 469.157 3.0000 1725.76  22.064  1737.81  30.020  1711.60  32.539  470.738 4.0680 467.152 4.4431 3.586182       6.024140 
1 1 1 8  5  20 o 212.646 1.5805 354.465  5.2687  342.872  7.5872  365.261  7.3220  209.130 2.3143 215.852 2.1638 -6.722351      3.168258 
1 1 1 8  5  21 o 95.004  1.1462 70.750   1.7070  71.919   2.4023  69.557   2.4260  95.784  1.5999 94.197  1.6429 1.586388       2.293183 
1 1 1 8  5  22 o 136.135 1.2131 145.275  2.5890  147.238  3.6672  143.324  3.6557  137.049 1.7069 135.215 1.7246 1.834244       2.426463 
1 1 1 8  5  23 o 52.625  1.3432 21.709   1.1081  22.733   1.5423  20.617   1.5931  53.850  1.8270 51.282  1.9817 2.567562       2.695338 
1 1 1 8  5  24 o 150.590 1.3124 177.766  3.0982  180.997  4.2238  174.004  4.5583  151.948 1.7732 148.981 1.9517 2.966446       2.636942 
1 1 1 8  5  25 o 248.259 1.6829 483.159  6.5495  473.962  9.0631  493.212  9.4753  245.869 2.3514 250.811 2.4099 -4.941681      3.366953 
1 1 1 8  5  26 o 192.926 1.3649 291.775  4.1281  294.013  5.6226  289.158  6.0802  193.657 1.8520 192.049 2.0195 1.608490       2.740180 
1 1 1 8  5  27 o 264.909 1.7635 550.161  7.3237  542.403  9.4418  561.880  11.604  263.019 2.2899 267.682 2.7652 -4.663086      3.590267 
1 1 1 8  5  28 o 172.466 1.2813 233.170  3.4643  235.607  4.7299  230.349  5.0883  173.357 1.7404 171.410 1.8936 1.947998       2.571903 
1 1 1 8  5  29 o 264.651 1.6963 549.099  7.0375  554.722  9.6420  542.688  10.295  265.981 2.3124 263.072 2.4963 2.908600       3.402780 
1 1 1 8  5  30 o 100.980 1.1993 79.936   1.8985  79.380   2.4451  80.781   3.0126  100.625 1.5500 101.505 1.8933 -0.8798523     2.446816 
1 1 1 8  5  31 o 422.125 2.6064 1397.40  17.248  1393.26  22.500  1403.29  26.858  421.426 3.4057 422.866 4.0516 -1.440491      5.292845 
1 1 1 8  5  32 o 397.788 2.7156 1241.01  16.934  1251.53  22.019  1225.78  26.494  399.393 3.5168 395.172 4.2767 4.221680       5.536962 
1 1 1 8  5  33 o 410.983 2.7947 1324.79  18.006  1314.63  23.048  1340.70  28.845  409.319 3.5919 413.240 4.4526 -3.921722      5.720776 
1 1 1 8  5  34 o 243.561 1.8265 465.117  6.9740  457.281  8.8464  477.983  11.335  241.479 2.3369 246.851 2.9292 -5.372589      3.747166 
1 1 1 8  5  35 o 162.105 1.6007 206.022  4.0679  208.415  5.7336  203.596  5.7723  163.026 2.2435 161.129 2.2852 1.897156       3.202387 
1 1 1 8  5  36 o 214.634 1.9895 361.222  6.6940  352.351  8.6575  374.410  10.556  211.954 2.6055 218.462 3.0822 -6.507385      4.035903 
1 1 1 8  5  37 o 320.995 2.5132 808.120  12.647  824.752  18.276  792.839  17.519  324.181 3.5961 317.855 3.5157 6.325256       5.029152 
1 1 1 8  5  38 o 195.221 1.6439 298.806  5.0309  299.875  7.6420  297.989  6.6835  195.536 2.4930 194.934 2.1871 0.6021729      3.316395 
1 1 1 8  5  39 o 182.345 1.4970 260.680  4.2793  258.594  6.0269  262.802  6.0772  181.593 2.1171 183.064 2.1176 -1.471329      2.994389 
1 1 1 8  5  40 o 346.850 2.3985 943.566  13.042  957.348  18.734  930.607  18.166  349.263 3.4216 344.358 3.3651 4.905396       4.799077 
1 1 1 8  5  41 o 118.604 1.3481 110.284  2.5066  107.512  3.0739  115.785  4.3306  117.098 1.6745 121.504 2.2736 -4.405891      2.823668 
1 1 1 8  5  42 o 161.416 1.4303 204.277  3.6194  205.345  4.6841  202.695  5.7020  161.824 1.8464 160.760 2.2625 1.063828       2.920330 
1 1 1 8  5  43 o 220.721 1.7025 382.005  5.8910  377.637  7.5414  388.843  9.4356  219.429 2.1923 222.625 2.7036 -3.196503      3.480746 
1 1 1 8  5  44 o 94.482  1.2706 69.988   1.8819  70.544   2.4658  69.211   2.9125  94.850  1.6583 93.942  1.9777 0.9083557      2.580929 
1 1 1 8  5  45 o 150.730 1.4397 178.139  3.4020  177.972  4.5583  178.348  5.1113  150.642 1.9302 150.790 2.1622 -0.1485901     2.898446 
1 1 1 8  5  46 o 137.844 1.3168 148.977  2.8455  146.233  3.9961  151.798  4.0528  136.549 1.8668 139.124 1.8582 -2.574432      2.633983 
1 1 1 8  5  47 o 90.274  1.2229 63.895   1.7307  65.645   2.5142  62.319   2.3860  91.489  1.7530 89.143  1.7074 2.346512       2.447068 
1 1 1 8  5  48 o 48.827  1.3953 18.694   1.0680  18.962   1.6326  18.494   1.4120  49.162  2.1183 48.558  1.8550 0.6049385      2.815678 
1 1 1 8  5  49 o 108.732 1.2096 92.701   2.0619  89.988   3.1975  94.632   2.6977  107.104 1.9044 109.847 1.5666 -2.743423      2.465961 
1 1 1 8  5  50 o 112.474 1.2094 99.196   2.1324  101.443  3.3867  97.719   2.7448  113.710 1.8999 111.620 1.5686 2.090271       2.463724 
1 1 1 8  5  51 o 73.351  1.1495 42.189   1.3218  40.446   2.0571  43.416   1.7251  71.797  1.8276 74.400  1.4791 -2.602112      2.351134 
1 1 1 8  5  52 o 75.758  1.5752 45.024   1.8708  44.048   3.5871  45.388   2.1926  74.845  3.0572 76.052  1.8391 -1.207321      3.567734 
1 1 1 8  5  53 o 171.283 1.6774 230.210  4.5040  229.868  7.4892  230.404  5.6374  170.992 2.7939 171.303 2.0992 -0.3108673     3.494625 
1 1 1 8  5  54 o 73.980  1.4860 42.941   1.7234  41.442   2.9080  43.753   2.1397  72.610  2.5547 74.658  1.8282 -2.048172      3.141471 
1 1 1 8  5  55 o 131.139 1.6548 134.979  3.4020  138.817  5.3811  132.423  4.3909  132.864 2.5835 129.831 2.1574 3.032562       3.365805 
1 1 1 8  5  56 f 169.850 1.7587 226.502  4.6829  220.078  7.1429  231.345  6.2015  167.230 2.7246 171.554 2.3059 -4.323517      3.569427 
1 1 1 8  5  57 o 100.686 1.3433 79.546   2.1203  80.099   2.9851  78.983   3.0124  100.984 1.8856 100.274 1.9163 0.7092590      2.688442 
1 1 1 8  5  58 o 50.909  1.5252 20.345   1.2173  19.817   1.7527  20.837   1.6919  50.202  2.2270 51.487  2.0962 -1.284397      3.058343 
1 1 1 8  5  59 o 122.857 1.4639 118.485  2.8194  120.844  3.7181  115.294  4.3246  124.009 1.9126 121.064 2.2787 2.945107       2.974934 
1 1 1 8  5  60 o 63.357  1.7399 31.534   1.7281  31.617   1.9934  31.285   3.4670  63.416  2.0051 62.789  3.5366 0.6269722      4.065494 
1 1 1 8  5  61 o 90.590  1.5936 64.455   2.2631  68.681   2.6896  54.210   4.1880  93.482  1.8353 82.822  3.2255 10.65981       3.711138 
1 1 1 8  5  62 o 53.603  1.6049 22.570   1.3486  22.711   1.6877  22.321   2.2431  53.738  2.0033 53.133  2.7019 0.6045570      3.363546 
1 1 1 8  5  63 o 52.357  1.6004 21.536   1.3136  22.480   1.6291  19.781   2.2209  53.463  1.9438 49.975  2.8466 3.488285       3.446906 
1 1 1 8  5  64 o 50.150  1.6253 19.764   1.2778  21.027   1.5916  17.472   2.1433  51.699  1.9638 46.933  2.9276 4.765926       3.525259 
1 1 1 8  5  65 o 52.059  1.5159 21.293   1.2371  21.115   1.5701  21.585   2.0091  51.803  1.9334 52.315  2.4497 -0.5123100     3.120751 
1 1 1 8  5  66 o 70.937  1.1816 39.504   1.3140  39.973   1.5814  38.459   2.3612  71.333  1.4142 69.866  2.1558 1.466118       2.578265 
1 1 1 8  5  67 o 40.141  1.9568 12.689   1.2314  12.047   1.7900  13.265   1.6967  38.890  2.9583 40.878  2.6621 -1.988354      3.979712 
1 1 1 8  5  68 o 49.201  1.7899 19.055   1.3806  20.519   2.1225  17.981   1.8176  50.856  2.6716 47.647  2.4416 3.209057       3.619282 
1 1 1 8  5  69 o 64.040  1.5631 32.261   1.5692  34.801   2.4410  30.471   2.0486  66.366  2.3462 62.149  2.1027 4.217113       3.150565 
1 1 1 8  5  70 o 27.946  2.3718 6.2203   1.0293  4.8542   1.7513  6.9411   1.2722  24.052  4.8128 29.447  2.7890 -5.395832      5.562540 
1 1 1 8  5  71 f 68.968  2.0118 37.551   2.1752  38.652   3.1342  36.528   3.0211  69.715  2.8678 67.781  2.8432 1.933945       4.038363 
1 1 1 8  5  72 o 44.431  2.1625 15.616   1.5063  17.025   1.9437  13.498   2.3833  46.200  2.6954 40.773  3.7714 5.427532       4.635591 
1 1 1 8  5  73 o 31.965  2.7073 8.1917   1.3439  7.1799   1.7078  9.8368   2.1777  29.596  3.7662 34.585  4.0962 -4.988165      5.564472 
1 1 1 8  5  74 o 20.546  3.9896 3.5411   1.2387  4.4271   1.5974  2.2046   1.9618  22.821  4.6235 16.811  5.9521 6.009800       7.536841 
1 1 1 8  5  75 o 9.5814  4.2592 -0.3630  1.2834  0.6831   1.6833  -1.8155  1.9835  12.885  5.2627 10.274  4.8277 2.610917       7.141610 
1 1 1 8  5  76 o 10.558  4.3633 0.3478   1.1744  1.8198   1.6041  -1.3527  1.7242  15.271  5.3849 9.8561  4.5884 5.414449       7.074614 
1 1 1 8  5  77 o 14.377  5.1602 1.5660   1.4793  -2.1834  2.5391  3.4925   1.8200  11.575  5.4464 19.869  5.6018 -8.293402      7.812968 
1 1 1 8  5  78 o 15.656  4.9295 2.0756   1.3502  5.1141   2.7950  1.1506   1.5421  23.417  7.0418 13.441  5.1796 9.975437       8.741617 
1 1 1 8  5  79 o 17.528  4.8007 2.6769   1.3580  4.2792   2.7458  2.1581   1.5624  21.560  7.0527 16.032  5.3237 5.527842       8.836416 
1 1 1 8  5  80 o 43.458  2.5116 15.175   1.7038  13.205   3.1240  16.008   2.0327  38.977  5.2459 44.444  2.9339 -5.466698      6.010577 
1 1 1 8  5  81 o 23.168  4.2243 4.5994   1.4777  0.5128   2.7241  6.3033   1.7590  14.825  6.4054 27.188  4.2674 -12.36298      7.696747 
1 1 1 8  5  82 o 8.4507  4.0600 -2.0201  1.5668  0.9951   2.5467  -3.8564  1.9874  15.044  6.3356 8.4685  4.1761 6.575505       7.588130 
1 1 1 8  5  83 o 23.227  5.2833 4.9074   1.8804  5.4511   2.7570  4.4345   2.5713  23.450  6.9808 21.339  6.8117 2.110937       9.753465 
1 1 1 8  6  0  o 217.039 2.0199 369.344  6.8713  369.344  6.8713  369.344  6.8713  217.039 2.0199 217.039 2.0199 0.000000       0.000000 
1 1 1 8  6  1  o 312.493 1.8664 765.494  9.1431  773.734  13.063  757.580  12.801  314.157 2.6524 310.861 2.6269 3.296173       3.733084 
1 1 1 8  6  2  o 385.337 2.2288 1164.01  13.464  1179.50  19.280  1149.27  18.810  387.868 3.1708 382.866 3.1339 5.002655       4.458171 
1 1 1 8  6  3  o 268.090 1.7192 563.401  7.2252  555.998  9.7305  572.499  10.787  266.315 2.3307 270.234 2.5462 -3.919312      3.451891 
1 1 1 8  6  4  o 483.337 2.8384 1831.52  21.507  1810.30  31.315  1850.46  29.589  480.474 4.1575 485.788 3.8854 -5.313751      5.690456 
1 1 1 8  6  5  o 168.144 1.2789 221.617  3.3712  225.689  5.0279  218.291  4.5438  169.678 1.8902 166.874 1.7369 2.803040       2.567050 
1 1 1 8  6  6  o 456.146 2.6894 1631.21  19.232  1656.39  28.732  1610.78  25.885  459.602 3.9878 453.245 3.6430 6.356903       5.401302 
1 1 1 8  6  7  o 225.335 1.5130 398.023  5.3446  399.815  7.8920  396.505  7.2637  225.834 2.2292 224.900 2.0602 0.9344482      3.035420 
1 1 1 8  6  8  o 193.695 1.3776 294.091  4.1831  283.905  5.9764  303.874  5.8569  190.306 2.0032 196.886 1.8976 -6.580139      2.759304 
1 1 1 8  6  9  o 374.652 2.2558 1100.37  13.249  1098.37  19.436  1102.10  18.109  374.284 3.3125 374.925 3.0810 -0.6410828     4.523846 
1 1 1 8  6  10 f 325.335 2.0025 829.721  10.213  848.260  15.339  814.958  13.689  328.928 2.9747 322.413 2.7083 6.514832       4.022869 
1 1 1 8  6  11 o 636.995 3.8282 3181.77  38.228  3160.17  53.702  3203.96  54.432  634.705 5.3972 639.083 5.4330 -4.378418      7.658138 
1 1 1 8  6  12 o 104.974 1.1887 86.379   1.9561  83.716   2.9954  88.359   2.5829  103.341 1.8490 106.169 1.5519 -2.828270      2.413924 
1 1 1 8  6  13 o 285.040 1.8751 636.913  8.3787  657.456  12.179  618.453  11.545  289.586 2.6827 280.866 2.6221 8.719849       3.751302 
1 1 1 8  6  14 o 231.830 1.5491 421.304  5.6298  418.337  8.2144  423.931  7.7311  231.003 2.2683 232.545 2.1207 -1.541489      3.105273 
1 1 1 8  6  15 o 416.951 2.5869 1362.96  16.909  1311.23  25.177  1405.47  22.823  408.908 3.9275 423.370 3.4387 -14.46243      5.220164 
1 1 1 8  6  16 o 545.865 3.3109 2336.39  28.332  2322.81  39.802  2350.33  40.339  544.183 4.6656 547.394 4.7008 -3.210754      6.623092 
1 1 1 8  6  17 o 209.474 1.4503 343.966  4.7626  344.987  7.0140  343.093  6.4874  209.777 2.1328 209.202 1.9781 0.5744476      2.908917 
1 1 1 8  6  18 o 194.480 1.3839 296.486  4.2193  294.775  6.1537  298.004  5.7962  193.911 2.0243 194.972 1.8964 -1.061081      2.773825 
1 1 1 8  6  19 o 212.330 1.5854 353.416  5.2773  352.927  7.8252  353.824  7.1474  212.171 2.3526 212.444 2.1461 -0.2731628     3.184421 
1 1 1 8  6  20 o 299.020 1.9439 700.950  9.1124  687.466  12.651  715.489  13.137  296.108 2.7253 302.082 2.7740 -5.973175      3.888738 
1 1 1 8  6  21 o 84.940  1.2272 56.555   1.6342  54.750   2.1689  58.927   2.4854  83.571  1.6555 86.699  1.8286 -3.128258      2.466710 
1 1 1 8  6  22 o 158.807 1.3554 197.697  3.3744  201.878  4.6184  192.909  4.9424  160.472 1.8359 156.864 2.0098 3.607941       2.722096 
1 1 1 8  6  23 o 477.091 3.0487 1784.94  22.802  1765.08  30.513  1810.06  34.314  474.341 4.1034 480.301 4.5573 -5.959564      6.132428 
1 1 1 8  6  24 o 100.432 1.2082 79.069   1.9022  80.054   2.5802  77.895   2.8156  101.053 1.6287 99.680  1.8018 1.373405       2.428818 
1 1 1 8  6  25 o 125.520 1.3580 123.509  2.6722  124.277  3.3127  122.078  4.5214  125.907 1.6783 124.779 2.3114 1.127686       2.856470 
1 1 1 8  6  26 o 243.703 1.7365 465.615  6.6343  462.807  8.9135  469.103  9.9340  242.949 2.3404 244.586 2.5908 -1.637665      3.491361 
1 1 1 8  6  27 o 210.299 1.5745 346.714  5.1909  354.854  7.1693  337.743  7.5258  212.739 2.1497 207.541 2.3131 5.197495       3.157777 
1 1 1 8  6  28 o 102.933 1.3718 83.060   2.2136  79.762   3.0509  86.728   3.2167  100.862 1.9295 105.174 1.9510 -4.311882      2.743983 
1 1 1 8  6  29 o 294.144 2.2073 678.420  10.178  683.287  13.746  672.514  15.144  295.154 2.9709 292.796 3.2993 2.358093       4.439738 
1 1 1 8  6  30 o 20.943  3.0486 3.5126   0.9715  4.0693   1.3266  2.8687   1.4267  22.447  3.9121 18.761  4.8241 3.686323       6.211002 
1 1 1 8  6  31 o 127.381 1.3598 127.203  2.7154  126.679  3.6410  127.860  4.0759  127.110 1.8272 127.697 2.0361 -0.5868988     2.735731 
1 1 1 8  6  32 o 13.702  4.0476 1.4942   0.9297  1.4649   1.2265  1.5338   1.4253  14.103  4.7178 14.722  5.0830 -0.6189117     6.935020 
1 1 1 8  6  33 o 144.647 1.4298 164.029  3.2423  163.787  4.0085  164.487  5.5139  144.533 1.7691 144.824 2.4286 -0.2906189     3.004679 
1 1 1 8  6  34 o 166.630 1.4522 217.677  3.7935  215.994  4.8671  220.281  6.0548  165.974 1.8706 167.599 2.3045 -1.624939      2.968125 
1 1 1 8  6  35 o 18.593  3.4333 2.7991   0.9638  2.6010   1.2559  3.0831   1.5035  17.853  4.4912 19.437  4.9275 -1.583975      6.667123 
1 1 1 8  6  36 o 91.539  1.3584 65.693   1.9494  62.876   2.5873  69.392   2.9650  89.549  1.8430 94.071  2.0105 -4.522446      2.727424 
1 1 1 8  6  37 o 203.664 1.8117 325.235  5.7844  335.184  8.3586  316.091  8.0130  206.721 2.5793 200.748 2.5462 5.972473       3.624328 
1 1 1 8  6  38 o 184.722 1.7222 267.546  4.9872  273.299  7.0980  261.936  7.0089  186.669 2.4255 182.746 2.4465 3.922684       3.445083 
1 1 1 8  6  39 o 30.912  2.4552 7.5424   1.1800  6.8574   1.6854  8.2010   1.6526  29.317  3.7533 32.155  3.3266 -2.838093      5.015356 
1 1 1 8  6  40 o 82.498  1.5226 53.362   1.9692  51.900   3.0913  54.360   2.5546  81.344  2.4241 83.259  1.9572 -1.915329      3.115611 
1 1 1 8  6  41 o 65.466  1.5687 33.604   1.6100  31.159   2.6029  35.119   2.0489  63.022  2.6346 66.921  1.9530 -3.898800      3.279549 
1 1 1 8  6  42 o 201.920 1.8024 319.720  5.7055  318.827  9.3498  320.249  7.2019  201.565 2.9589 202.061 2.2736 -0.4967346     3.731532 
1 1 1 8  6  43 f 106.975 1.3342 89.721   2.2374  91.786   3.3898  88.127   2.9784  108.182 1.9988 106.009 1.7922 2.171982       2.684582 
1 1 1 8  6  44 o 188.715 1.4812 279.243  4.3820  286.426  6.0940  271.554  6.3057  191.098 2.0342 186.063 2.1618 5.034897       2.968402 
1 1 1 8  6  45 f 65.830  1.3304 33.978   1.3730  35.688   1.9080  32.142   1.9773  67.457  1.8042 64.015  1.9704 3.442665       2.671605 
1 1 1 8  6  46 o 108.544 1.2233 92.376   2.0816  89.850   2.8225  95.388   3.0822  107.037 1.6821 110.283 1.7828 -3.245918      2.451063 
1 1 1 8  6  47 o 40.635  1.6529 12.950   1.0530  13.326   1.4834  12.569   1.4949  41.145  2.3092 39.948  2.3981 1.196625       3.329161 
1 1 1 8  6  48 o 38.032  1.7033 11.346   1.0156  9.7458   1.4059  13.091   1.4685  35.140  2.5700 40.776  2.3067 -5.636040      3.453390 
1 1 1 8  6  49 o 168.855 1.3980 223.606  3.7007  224.958  5.0381  222.021  5.4538  169.328 1.8980 168.204 2.0683 1.124191       2.807146 
1 1 1 8  6  50 o 181.356 1.4460 257.968  4.1111  253.228  5.4835  264.052  6.2124  179.635 1.9472 183.409 2.1607 -3.774185      2.908617 
1 1 1 8  6  51 o 90.578  1.2868 64.346   1.8272  64.671   2.2923  63.780   3.0263  90.791  1.6105 90.132  2.1418 0.6587982      2.679721 
1 1 1 8  6  52 o 87.086  1.0985 59.475   1.4997  58.731   2.1431  60.188   2.0994  86.518  1.5801 87.588  1.5290 -1.069572      2.198773 
1 1 1 8  6  53 o 127.388 1.1662 127.275  2.3290  124.641  3.2771  129.963  3.3104  126.024 1.6588 128.688 1.6409 -2.663979      2.333275 
1 1 1 8  6  54 o 55.669  1.2845 24.311   1.1209  24.413   1.4125  24.137   1.8423  55.772  1.6155 55.430  2.1201 0.3416862      2.665488 
1 1 1 8  6  55 o 123.704 1.5766 120.111  3.0575  118.721  4.2611  121.586  4.3896  122.906 2.2115 124.373 2.2514 -1.467743      3.155883 
1 1 1 8  6  56 o 145.729 1.5157 166.690  3.4627  162.223  5.2263  170.185  4.6230  143.630 2.3211 147.173 2.0038 -3.542984      3.066365 
1 1 1 8  6  57 o 72.234  1.4768 40.956   1.6723  39.826   2.6390  41.714   2.1618  71.152  2.3659 72.866  1.8925 -1.714233      3.029706 
1 1 1 8  6  58 o 99.771  1.3069 78.117   2.0441  76.670   2.9213  79.506   2.8612  98.778  1.8865 100.598 1.8143 -1.819664      2.617374 
1 1 1 8  6  59 o 51.659  1.5065 20.953   1.2200  22.061   1.8149  20.040   1.6479  52.957  2.1861 50.481  2.0823 2.475880       3.019166 
1 1 1 8  6  60 o 77.028  1.3238 46.573   1.5986  44.785   2.2808  48.299   2.2412  75.476  1.9277 78.393  1.8237 -2.917664      2.653634 
1 1 1 8  6  61 o 101.113 1.3480 80.263   2.1368  78.701   3.2247  81.485   2.8530  100.022 2.0565 101.821 1.7873 -1.798203      2.724697 
1 1 1 8  6  62 o 73.380  1.2820 42.269   1.4748  43.368   2.1474  41.288   2.0289  74.269  1.8444 72.472  1.7858 1.796440       2.567253 
1 1 1 8  6  63 o 117.394 1.4767 108.250  2.7177  105.708  3.2780  113.837  4.8601  115.947 1.8034 120.126 2.5808 -4.178398      3.148493 
1 1 1 8  6  64 o 42.516  1.8117 14.217   1.2075  13.819   1.5099  14.924   2.0114  41.809  2.3127 43.335  2.9788 -1.526665      3.771225 
1 1 1 8  6  65 o 39.748  1.9343 12.436   1.2053  11.850   1.4968  13.516   2.0327  38.671  2.4822 41.174  3.1737 -2.503635      4.029055 
1 1 1 8  6  66 f 43.193  1.8177 14.683   1.2308  14.728   1.5232  14.597   2.0891  43.155  2.2594 42.788  3.1364 0.3671074      3.865490 
1 1 1 8  6  67 o 56.528  1.6966 25.143   1.5035  22.932   2.3068  26.776   1.9824  53.751  2.7468 58.264  2.1704 -4.512482      3.500756 
1 1 1 8  6  68 o 54.926  1.7310 23.751   1.4905  25.921   2.3617  22.315   1.9215  57.216  2.6331 53.149  2.3061 4.066357       3.500162 
1 1 1 8  6  69 o 49.984  1.7924 19.685   1.4045  16.950   2.1339  21.776   1.8655  46.083  2.9696 52.491  2.2671 -6.407345      3.736071 
1 1 1 8  6  70 o 33.785  2.3324 9.0748   1.2277  10.535   1.9904  8.1778   1.5598  36.093  3.5643 31.869  3.1640 4.223265       4.765988 
1 1 1 8  6  71 o 38.989  2.0712 12.049   1.2614  14.878   2.0733  10.386   1.5894  43.060  3.0920 36.010  2.8385 7.050362       4.197291 
1 1 1 8  6  72 o 37.769  2.3706 11.361   1.3965  10.895   3.1394  11.476   1.5592  35.631  5.8216 37.888  2.6417 -2.257542      6.392881 
1 1 1 8  6  73 o 9.5746  3.9963 0.1995   0.9993  0.1952   1.8260  0.2014   1.1940  12.447  5.3085 10.345  4.3464 2.101989       6.860837 
1 1 1 8  6  74 o 25.106  3.5649 5.1961   1.3637  6.1282   1.9349  4.2761   1.9222  26.832  4.7749 22.065  5.5595 4.766693       7.328550 
1 1 1 8  6  75 o 30.856  3.0164 7.7220   1.4404  9.2565   2.0528  6.2337   2.0217  33.410  3.9988 26.923  4.9732 6.486898       6.381476 
1 1 1 8  6  76 o 17.889  4.4662 2.7574   1.2486  1.8281   1.6500  4.0026   1.9100  15.318  5.4550 21.215  5.6443 -5.896240      7.849528 
1 1 1 8  6  77 o 52.970  2.2954 22.361   1.9061  23.377   2.9683  21.648   2.4865  53.439  3.5636 51.695  3.0822 1.744305       4.711550 
1 1 1 8  6  78 o 47.201  2.6460 17.920   1.9501  17.658   3.3806  18.050   2.3873  45.560  4.8057 47.069  3.2553 -1.508720      5.804487 
1 1 1 8  6  79 o 30.538  4.2359 7.8818   1.9732  11.180   3.2425  5.9421   2.4867  35.239  6.0898 25.395  6.2812 9.844458       8.748699 
1 1 1 8  6  80 o 13.546  5.2409 1.2003   1.5838  -0.2757  2.7635  1.9222   1.9326  13.942  6.2203 15.772  5.8601 -1.829730      8.545897 
1 1 1 8  6  81 o 24.919  4.0474 5.2935   1.5268  4.3943   2.9998  5.6079   1.7738  21.392  7.3749 25.366  4.6313 -3.974361      8.708522 
1 1 1 8  6  82 o 27.190  4.1541 6.3460   1.7145  8.2146   2.9947  5.4350   2.0910  29.175  6.6903 24.297  5.6041 4.878225       8.727289 
1 1 1 8  7  0  o 136.389 1.7722 145.888  3.7877  145.888  3.7877  145.888  3.7877  136.389 1.7722 136.389 1.7722 -0.000000      0.000000 
1 1 1 8  7  1  o 370.079 2.3314 1073.69  13.526  1106.61  19.687  1044.25  18.615  375.680 3.3427 364.943 3.2538 10.73651       4.664891 
1 1 1 8  7  2  o 289.138 1.9006 655.357  8.6148  661.018  12.267  649.849  12.101  290.369 2.6949 287.906 2.6811 2.463348       3.801409 
1 1 1 8  7  3  o 214.444 1.5389 360.480  5.1734  365.624  7.3973  355.555  7.2379  215.961 2.1850 212.967 2.1679 2.994141       3.077996 
1 1 1 8  7  4  o 292.902 1.9198 672.533  8.8151  667.402  12.376  677.817  12.559  291.767 2.7058 294.035 2.7246 -2.267334      3.839864 
1 1 1 8  7  5  o 252.097 1.7148 498.193  6.7768  490.185  9.4515  506.665  9.7220  250.053 2.4111 254.221 2.4394 -4.168289      3.429899 
1 1 1 8  7  6  o 293.882 1.9245 677.044  8.8665  669.644  12.405  684.773  12.678  292.256 2.7076 295.539 2.7363 -3.282318      3.849471 
1 1 1 8  7  7  o 277.108 1.8396 601.957  7.9916  601.625  11.299  602.290  11.305  277.018 2.6018 277.171 2.6017 -0.1531677     3.679436 
1 1 1 8  7  8  o 125.267 1.2224 123.004  2.4004  124.039  3.4310  122.010  3.3596  125.790 1.7399 124.758 1.7178 1.032715       2.444972 
1 1 1 8  7  9  o 489.617 2.9906 1879.56  22.955  1883.02  32.533  1876.13  32.393  490.000 4.2352 489.104 4.2247 0.8957520      5.982096 
1 1 1 8  7  10 f 221.702 1.5687 385.299  5.4520  384.153  7.6871  386.459  7.7338  221.364 2.2151 222.027 2.2219 -0.6631470     3.137494 
1 1 1 8  7  11 o 423.023 2.6202 1402.97  17.376  1420.20  24.870  1386.54  24.287  425.565 3.7279 420.494 3.6844 5.070679       5.241368 
1 1 1 8  7  12 o 537.588 3.2643 2266.08  27.510  2255.67  38.716  2276.70  39.097  536.258 4.6054 538.750 4.6292 -2.491882      6.529870 
1 1 1 8  7  13 o 284.418 2.0530 634.164  9.1537  632.179  12.904  636.174  12.987  283.952 2.8989 284.848 2.9083 -0.8956909     4.106302 
1 1 1 8  7  14 o 251.079 1.7080 494.185  6.7229  486.078  9.3593  502.828  9.6633  248.998 2.3977 253.252 2.4340 -4.253174      3.416609 
1 1 1 8  7  15 o 212.363 1.6005 353.529  5.3285  356.427  7.9806  351.197  7.1575  213.220 2.3876 211.654 2.1572 1.566116       3.217743 
1 1 1 8  7  16 o 152.355 1.2865 181.954  3.0728  181.745  4.3434  182.164  4.3477  152.262 1.8196 152.438 1.8194 -0.1755066     2.573150 
1 1 1 8  7  17 o 135.825 1.2367 144.615  2.6333  145.398  3.7358  143.841  3.7124  136.189 1.7498 135.457 1.7482 0.7313690      2.473471 
1 1 1 8  7  18 o 212.716 1.6747 354.712  5.5846  360.050  7.2833  347.098  8.6995  214.301 2.1680 210.401 2.6375 3.900284       3.414170 
1 1 1 8  7  19 o 236.014 1.6390 436.669  6.0641  440.922  8.6704  432.598  8.4845  237.145 2.3322 234.896 2.3041 2.248444       3.278415 
1 1 1 8  7  20 o 195.961 1.5740 301.036  4.8353  298.015  6.7782  304.167  6.8998  194.964 2.2177 196.965 2.2346 -2.001465      3.148257 
1 1 1 8  7  21 o 213.937 1.6625 358.808  5.5757  358.617  7.8805  358.999  7.8901  213.865 2.3505 213.979 2.3521 -0.1138763     3.325250 
1 1 1 8  7  22 o 192.720 1.5573 291.163  4.7048  296.462  6.7440  286.139  6.5668  194.452 2.2123 191.037 2.1927 3.414719       3.114866 
1 1 1 8  7  23 o 256.437 1.9885 515.575  7.9940  515.275  10.728  515.949  11.987  256.338 2.6696 256.491 2.9813 -0.1536560     4.001809 
1 1 1 8  7  24 o 143.844 1.6139 162.212  3.6394  159.859  4.7623  165.516  5.6428  142.788 2.1275 145.285 2.4775 -2.496887      3.265639 
1 1 1 8  7  25 o 129.028 1.5719 130.516  3.1794  129.940  3.8003  131.859  5.8043  128.738 1.8830 129.664 2.8555 -0.9262543     3.420449 
1 1 1 8  7  26 o 268.624 2.0798 565.785  8.7584  568.828  11.801  562.054  13.069  269.311 2.7951 267.684 3.1142 1.627045       4.184655 
1 1 1 8  7  27 o 276.976 2.1278 601.533  9.2391  618.557  12.707  582.440  13.458  280.827 2.8863 272.488 3.1504 8.338623       4.272684 
1 1 1 8  7  28 o 93.836  1.4130 69.029   2.0785  70.991   2.9159  67.002   2.9636  95.153  1.9548 92.440  2.0450 2.713638       2.829013 
1 1 1 8  7  29 o 253.240 2.4426 502.930  9.6970  520.107  14.157  487.747  13.310  257.459 3.5076 249.328 3.4052 8.130371       4.888572 
1 1 1 8  7  30 o 238.543 2.3369 446.238  8.7391  434.614  12.077  459.016  12.662  235.361 3.2731 241.874 3.3393 -6.512436      4.675907 
1 1 1 8  7  31 f 209.926 2.3063 345.593  7.5898  339.461  11.786  349.939  9.9209  207.982 3.6147 211.206 2.9963 -3.224426      4.695087 
1 1 1 8  7  32 o 90.983  1.4265 64.898   2.0346  65.874   2.9087  63.963   2.8469  91.657  2.0244 90.317  2.0107 1.339691       2.853261 
1 1 1 8  7  33 o 298.819 2.2559 700.247  10.568  693.777  14.055  708.664  16.030  297.378 3.0148 300.516 3.4026 -3.137878      4.546056 
1 1 1 8  7  34 o 170.575 1.5673 228.118  4.1910  224.233  5.5409  233.313  6.4068  169.100 2.0902 172.479 2.3695 -3.378876      3.159634 
1 1 1 8  7  35 o 23.695  2.9078 4.4708   1.0575  4.9792   1.3818  3.7523   1.6428  24.925  3.6439 21.425  4.9850 3.500244       6.174801 
1 1 1 8  7  36 o 190.106 1.5118 283.350  4.5056  283.568  6.0842  283.085  6.7047  190.161 2.0410 189.989 2.2511 0.1713867      3.038589 
1 1 1 8  7  37 o 122.537 1.2302 117.715  2.3631  118.399  3.3373  117.028  3.3466  122.882 1.7324 122.169 1.7474 0.7136154      2.460633 
1 1 1 8  7  38 o 84.352  1.2369 55.782   1.6357  55.599   2.3136  55.965   2.3128  84.206  1.7526 84.483  1.7463 -0.2768936     2.474097 
1 1 1 8  7  39 f 148.258 1.2934 172.327  3.0060  172.947  4.2607  171.712  4.2417  148.510 1.8301 147.979 1.8285 0.5311432      2.586976 
1 1 1 8  7  40 o 147.799 1.2944 171.264  2.9991  167.792  4.1830  174.936  4.3024  146.278 1.8241 149.359 1.8375 -3.081207      2.589153 
1 1 1 8  7  41 o 171.256 1.3723 229.948  3.6843  228.781  5.1976  231.125  5.2231  170.798 1.9412 171.671 1.9408 -0.8726349     2.744969 
1 1 1 8  7  42 o 156.847 1.3241 192.881  3.2557  193.044  4.6138  192.719  4.5947  156.892 1.8759 156.760 1.8697 0.1318512      2.648502 
1 1 1 8  7  43 o 154.011 1.3803 185.978  3.3327  187.356  4.5093  184.320  4.9473  154.561 1.8611 153.294 2.0587 1.266937       2.775194 
1 1 1 8  7  44 o 128.810 1.3944 130.100  2.8158  135.375  4.0701  125.258  3.8996  131.373 1.9763 126.369 1.9684 5.003883       2.789332 
1 1 1 8  7  45 o 54.306  1.6469 23.129   1.4020  21.540   1.9877  24.702   1.9780  52.391  2.4201 56.109  2.2487 -3.717842      3.303537 
1 1 1 8  7  46 o 52.426  1.5294 21.555   1.2570  23.061   1.9670  20.515   1.6342  54.209  2.3146 51.136  2.0386 3.072643       3.084341 
1 1 1 8  7  47 o 108.162 1.1963 91.733   2.0285  93.554   2.9060  90.003   2.8328  109.210 1.6974 107.117 1.6869 2.092598       2.393076 
1 1 1 8  7  48 o 142.655 1.2624 159.586  2.8233  158.952  3.9866  160.224  3.9989  142.339 1.7866 142.907 1.7850 -0.5681152     2.525467 
1 1 1 8  7  49 f 150.054 1.2830 176.585  3.0180  176.458  4.2839  176.711  4.2523  149.959 1.8223 150.068 1.8075 -0.1089935     2.566680 
1 1 1 8  7  50 o 56.504  1.3040 25.042   1.1551  26.632   1.6767  23.605   1.5935  58.253  1.8361 54.842  1.8535 3.411846       2.608952 
1 1 1 8  7  51 o 65.623  1.2293 33.776   1.2647  36.518   1.8373  31.307   1.7434  68.214  1.7181 63.158  1.7608 5.056431       2.460153 
1 1 1 8  7  52 o 38.454  1.5522 11.604   0.9357  11.860   1.3334  11.355   1.3135  38.792  2.2017 37.953  2.2173 0.8387947      3.124688 
1 1 1 8  7  53 o 73.547  1.1604 42.428   1.3379  44.133   1.9288  40.848   1.8573  74.983  1.6409 72.139  1.6424 2.844063       2.321600 
1 1 1 8  7  54 f 92.501  1.1239 67.117   1.6298  68.427   2.3371  65.876   2.2740  93.366  1.5968 91.610  1.5834 1.756126       2.248753 
1 1 1 8  7  55 o 15.336  3.2936 1.9264   0.7682  2.1878   1.2103  1.7500   0.9941  16.363  4.5522 14.670  4.1413 1.692273       6.154110 
1 1 1 8  7  56 o 18.427  2.7346 2.7323   0.7660  2.4242   0.8522  4.0284   1.7479  17.245  3.2719 22.044  5.1507 -4.799595      6.102038 
1 1 1 8  7  57 o 132.716 1.4075 138.258  2.9283  134.052  4.0498  142.867  4.2392  130.591 1.9782 134.811 2.0059 -4.220108      2.817216 
1 1 1 8  7  58 f 38.772  2.0314 11.853   1.2304  13.462   1.9798  10.840   1.5705  41.177  3.0896 36.983  2.7281 4.194153       4.121634 
1 1 1 8  7  59 o 73.217  1.5086 42.098   1.7316  41.779   2.7186  42.316   2.2461  72.838  2.3809 73.360  1.9530 -0.5223389     3.079469 
1 1 1 8  7  60 o 94.407  1.3420 69.971   1.9861  70.213   2.8264  69.735   2.7915  94.495  1.9080 94.175  1.8908 0.3198166      2.686178 
1 1 1 8  7  61 f 13.721  4.2240 1.5007   0.9977  -0.9487  1.4418  3.7512   1.3821  9.4770  4.3338 21.331  4.2819 -11.85363      6.092306 
1 1 1 8  7  62 o 67.995  1.4097 36.310   1.5026  37.645   2.1898  35.122   2.0656  69.162  2.0197 66.811  1.9722 2.350945       2.822892 
1 1 1 8  7  63 o 102.729 1.3431 82.878   2.1629  84.526   2.8924  80.787   3.2578  103.671 1.7797 101.296 2.0515 2.374687       2.715907 
1 1 1 8  7  64 o 13.993  3.9536 1.6041   0.9056  0.4752   1.2839  2.7218   1.2775  11.426  4.6224 18.076  4.5201 -6.650064      6.465117 
1 1 1 8  7  65 o 36.246  1.7157 10.335   0.9749  11.154   1.4699  9.6925   1.3026  37.493  2.5154 34.961  2.3910 2.532040       3.470467 
1 1 1 8  7  66 o 51.626  1.5825 20.962   1.2807  19.644   1.6362  23.049   2.0580  49.913  2.0910 54.011  2.4306 -4.098099      3.206291 
1 1 1 8  7  67 f 23.628  2.6392 4.4745   0.9609  4.6972   1.1911  4.0595   1.6260  24.087  3.2362 21.973  4.8502 2.114599       5.830758 
1 1 1 8  7  68 o 42.226  2.0584 14.073   1.3626  14.809   1.9562  13.379   1.8990  43.074  2.9142 40.914  2.9812 2.159573       4.168948 
1 1 1 8  7  69 f 24.228  3.1281 4.7553   1.1603  7.1710   1.7021  2.6579   1.5860  29.658  3.7444 17.805  5.2933 11.85330       6.483767 
1 1 1 8  7  70 o 9.3351  4.1546 -0.3971  1.2247  0.9808   1.6150  -2.2618  1.8787  13.442  5.2667 9.5467  4.5481 3.895145       6.958709 
1 1 1 8  7  71 o 43.411  2.3323 14.990   1.5814  13.597   1.9206  17.921   2.7867  41.142  2.9985 46.928  3.8211 -5.786373      4.857148 
1 1 1 8  7  72 o 20.938  3.8133 3.6569   1.2056  4.1321   1.6909  3.1656   1.7193  21.899  5.0311 19.133  5.4621 2.765638       7.426123 
1 1 1 8  7  73 o 21.188  4.0652 3.7816   1.3011  5.6253   2.0655  2.5686   1.6754  25.435  5.3497 17.391  5.4927 8.043615       7.667441 
1 1 1 8  7  74 o 40.102  2.3776 12.852   1.4880  11.971   2.3150  13.473   1.9424  38.067  3.9362 40.810  3.0584 -2.742924      4.984742 
1 1 1 8  7  75 o 54.041  1.8620 23.134   1.5774  26.474   2.3619  20.444   2.1193  57.516  2.6195 50.449  2.6895 7.067188       3.754336 
1 1 1 8  7  76 o 25.034  4.7924 5.4149   1.8123  8.4471   2.5825  2.4725   2.5439  31.007  5.5149 17.830  6.7038 13.17688       8.680745 
1 1 1 8  7  77 o 13.546  5.1723 1.2224   1.5286  1.2773   2.3350  1.1812   2.0222  15.304  6.2185 14.508  5.8249 0.7960453      8.520522 
1 1 1 8  7  78 o 32.685  3.6304 8.8521   1.8287  10.122   3.3284  8.3028   2.1887  33.068  6.6509 31.137  4.6243 1.931026       8.100558 
1 1 1 8  7  79 o 22.636  5.0856 4.5469   1.7607  3.2253   3.1199  5.1645   2.1327  19.484  7.4013 23.807  5.7739 -4.323385      9.387064 
1 1 1 8  7  80 o 12.387  5.3321 0.2559   1.8737  0.2654   2.9776  0.2497   2.4109  14.920  6.5667 13.708  5.9737 1.212763       8.877274 
1 1 1 8  7  81 f 39.074  3.4969 12.700   2.1193  11.345   3.3678  13.589   2.7270  34.689  6.4298 39.740  4.4540 -5.050869      7.821747 
1 1 1 8  7  82 o 13.595  5.5140 1.0945   1.8321  -0.5887  2.8994  2.2133   2.3639  13.557  6.1786 16.519  6.3996 -2.961468      8.895486 
1 1 1 8  8  0  o 722.673 8.6707 4097.83  98.199  4097.83  98.199  4097.83  98.199  722.673 8.6707 722.673 8.6707 -0.000000      0.000000 
1 1 1 8  8  1  o 78.537  1.8389 48.430   2.2613  48.430   2.2613  48.430   2.2613  78.537  1.8389 78.537  1.8389 0.000000       0.000000 
1 1 1 8  8  2  o 30.987  3.2174 7.7682   1.5243  7.7682   1.5243  7.7682   1.5243  30.987  3.2174 30.987  3.2174 -0.000000      0.000000 
1 1 1 8  8  3  o 122.738 1.7503 118.159  3.3662  118.159  3.3662  118.159  3.3662  122.738 1.7503 122.738 1.7503 -0.000000      0.000000 
1 1 1 8  8  4  o 14.824  6.1264 2.4178   1.4133  2.4178   1.4133  2.4178   1.4133  14.824  6.1264 14.824  6.1264 0.000000       0.000000 
1 1 1 8  8  5  o 295.417 2.7431 684.324  12.701  684.324  12.701  684.324  12.701  295.417 2.7431 295.417 2.7431 -0.000000      0.000000 
1 1 1 8  8  6  o 88.090  1.7267 60.897   2.3824  60.897   2.3824  60.897   2.3824  88.090  1.7267 88.090  1.7267 0.000000       0.000000 
1 1 1 8  8  7  o 108.873 1.9119 93.002   3.2609  93.002   3.2609  93.002   3.2609  108.873 1.9119 108.873 1.9119 0.000000       0.000000 
1 1 1 8  8  8  o 19.109  5.6067 3.5112   1.4591  3.5112   1.4591  3.5112   1.4591  19.109  5.6067 19.109  5.6067 0.000000       0.000000 
1 1 1 8  8  9  o 37.186  2.7262 11.014   1.5696  11.014   1.5696  11.014   1.5696  37.186  2.7262 37.186  2.7262 -0.000000      0.000000 
1 1 1 8  8  10 o 470.773 4.0932 1738.12  30.204  1738.12  30.204  1738.12  30.204  470.773 4.0932 470.773 4.0932 0.000000       0.000000 
1 1 1 8  8  11 o 266.008 2.7635 554.902  11.521  554.902  11.521  554.902  11.521  266.008 2.7635 266.008 2.7635 0.000000       0.000000 
1 1 1 8  8  12 o 192.580 2.8691 290.941  8.6576  290.941  8.6576  290.941  8.6576  192.580 2.8691 192.580 2.8691 -0.000000      0.000000 
1 1 1 8  8  13 o 290.090 3.3060 660.020  15.030  660.020  15.030  660.020  15.030  290.090 3.3060 290.090 3.3060 -0.000000      0.000000 
1 1 1 8  8  14 f 565.679 5.9481 2511.00  52.734  2511.00  52.734  2511.00  52.734  565.679 5.9481 565.679 5.9481 0.000000       0.000000 
1 1 1 8  8  15 o 67.622  2.6621 36.014   2.8121  36.014   2.8121  36.014   2.8121  67.622  2.6621 67.622  2.6621 0.000000       0.000000 
1 1 1 8  8  16 o 87.703  2.0598 60.398   2.8285  60.398   2.8285  60.398   2.8285  87.703  2.0598 87.703  2.0598 -0.000000      0.000000 
1 1 1 8  8  17 o 462.718 4.9372 1679.90  35.805  1679.90  35.805  1679.90  35.805  462.718 4.9372 462.718 4.9372 0.000000       0.000000 
1 1 1 8  8  18 o 237.010 3.3336 440.706  12.381  440.706  12.381  440.706  12.381  237.010 3.3336 237.010 3.3336 -0.000000      0.000000 
1 1 1 8  8  19 o 141.180 2.1672 156.363  4.7940  156.363  4.7940  156.363  4.7940  141.180 2.1672 141.180 2.1672 -0.000000      0.000000 
1 1 1 8  8  20 o 108.575 1.8540 92.493   3.1535  92.493   3.1535  92.493   3.1535  108.575 1.8540 108.575 1.8540 -0.000000      0.000000 
1 1 1 8  8  21 o 108.801 1.8405 92.878   3.1373  92.878   3.1373  92.878   3.1373  108.801 1.8405 108.801 1.8405 -0.000000      0.000000 
1 1 1 8  8  22 o 148.951 2.2255 174.051  5.1940  174.051  5.1940  174.051  5.1940  148.951 2.2255 148.951 2.2255 -0.000000      0.000000 
1 1 1 8  8  23 o 115.570 1.8622 104.786  3.3719  104.786  3.3719  104.786  3.3719  115.570 1.8622 115.570 1.8622 0.000000       0.000000 
1 1 1 8  8  24 o 280.150 2.8861 615.578  12.672  615.578  12.672  615.578  12.672  280.150 2.8861 280.150 2.8861 -0.000000      0.000000 
1 1 1 8  8  25 o 274.064 2.5956 589.066  11.150  589.066  11.150  589.066  11.150  274.064 2.5956 274.064 2.5956 0.000000       0.000000 
1 1 1 8  8  26 o 131.309 1.7625 135.240  3.6266  135.240  3.6266  135.240  3.6266  131.309 1.7625 131.309 1.7625 -0.000000      0.000000 
1 1 1 8  8  27 o 125.343 1.9200 123.255  3.7708  123.255  3.7708  123.255  3.7708  125.343 1.9200 125.343 1.9200 0.000000       0.000000 
1 1 1 8  8  28 o 53.603  2.2793 22.649   1.9074  22.649   1.9074  22.649   1.9074  53.603  2.2793 53.603  2.2793 0.000000       0.000000 
1 1 1 8  8  29 o 237.971 2.5850 444.187  9.6412  444.187  9.6412  444.187  9.6412  237.971 2.5850 237.971 2.5850 -0.000000      0.000000 
1 1 1 8  8  30 o 197.410 2.3015 305.671  7.1204  305.671  7.1204  305.671  7.1204  197.410 2.3015 197.410 2.3015 0.000000       0.000000 
1 1 1 8  8  31 o 192.149 2.5116 289.642  7.5626  289.642  7.5626  289.642  7.5626  192.149 2.5116 192.149 2.5116 0.000000       0.000000 
1 1 1 8  8  32 o 108.743 1.9179 92.793   3.2671  92.793   3.2671  92.793   3.2671  108.743 1.9179 108.743 1.9179 -0.000000      0.000000 
1 1 1 8  8  33 o 92.103  1.9309 66.593   2.7852  66.593   2.7852  66.593   2.7852  92.103  1.9309 92.103  1.9309 0.000000       0.000000 
1 1 1 8  8  34 o 32.495  3.3389 8.5412   1.6597  8.5412   1.6597  8.5412   1.6597  32.495  3.3389 32.495  3.3389 0.000000       0.000000 
1 1 1 8  8  35 o 6.7723  4.6311 -0.9992  1.5496  -0.9992  1.5496  -0.9992  1.5496  6.7723  4.6311 6.7723  4.6311 0.000000       0.000000 
1 1 1 8  8  36 o 179.602 2.0129 253.000  5.6659  253.000  5.6659  253.000  5.6659  179.602 2.0129 179.602 2.0129 -0.000000      0.000000 
1 1 1 8  8  37 o 114.815 1.7766 103.426  3.1960  103.426  3.1960  103.426  3.1960  114.815 1.7766 114.815 1.7766 -0.000000      0.000000 
1 1 1 8  8  38 o 33.915  3.0295 9.2356   1.5812  9.2356   1.5812  9.2356   1.5812  33.915  3.0295 33.915  3.0295 -0.000000      0.000000 
1 1 1 8  8  39 o 141.817 1.8444 157.767  4.0989  157.767  4.0989  157.767  4.0989  141.817 1.8444 141.817 1.8444 0.000000       0.000000 
1 1 1 8  8  40 o 68.430  1.9497 36.805   2.0878  36.805   2.0878  36.805   2.0878  68.430  1.9497 68.430  1.9497 0.000000       0.000000 
1 1 1 8  8  41 o 175.139 1.9855 240.608  5.4498  240.608  5.4498  240.608  5.4498  175.139 1.9855 175.139 1.9855 0.000000       0.000000 
1 1 1 8  8  42 o 14.157  6.2307 2.2641   1.4489  2.2641   1.4489  2.2641   1.4489  14.157  6.2307 14.157  6.2307 -0.000000      0.000000 
1 1 1 8  8  43 o 14.330  6.2039 2.3069   1.4374  2.3069   1.4374  2.3069   1.4374  14.330  6.2039 14.330  6.2039 0.000000       0.000000 
1 1 1 8  8  44 o 21.561  5.0459 4.1980   1.4824  4.1980   1.4824  4.1980   1.4824  21.561  5.0459 21.561  5.0459 -0.000000      0.000000 
1 1 1 8  8  45 o 56.602  2.0514 25.226   1.8148  25.226   1.8148  25.226   1.8148  56.602  2.0514 56.602  2.0514 0.000000       0.000000 
1 1 1 8  8  46 o 45.838  2.2316 16.599   1.5949  16.599   1.5949  16.599   1.5949  45.838  2.2316 45.838  2.2316 -0.000000      0.000000 
1 1 1 8  8  47 o 112.572 1.7350 99.456   3.0603  99.456   3.0603  99.456   3.0603  112.572 1.7350 112.572 1.7350 0.000000       0.000000 
1 1 1 8  8  48 o 95.960  1.9519 72.325   2.9336  72.325   2.9336  72.325   2.9336  95.960  1.9519 95.960  1.9519 0.000000       0.000000 
1 1 1 8  8  49 f 52.405  2.3356 21.682   1.9101  21.682   1.9101  21.682   1.9101  52.405  2.3356 52.405  2.3356 0.000000       0.000000 
1 1 1 8  8  50 o 96.620  1.9237 73.333   2.9112  73.333   2.9112  73.333   2.9112  96.620  1.9237 96.620  1.9237 0.000000       0.000000 
1 1 1 8  8  51 o 98.276  1.6825 75.835   2.5904  75.835   2.5904  75.835   2.5904  98.276  1.6825 98.276  1.6825 0.000000       0.000000 
1 1 1 8  8  52 o 98.030  1.6649 75.461   2.5570  75.461   2.5570  75.461   2.5570  98.030  1.6649 98.030  1.6649 -0.000000      0.000000 
1 1 1 8  8  53 o 10.144  5.3914 1.1736   1.1578  1.1736   1.1578  1.1736   1.1578  10.144  5.3914 10.144  5.3914 -0.000000      0.000000 
1 1 1 8  8  54 o 5.9876  4.1659 -1.2609  1.3921  -1.2609  1.3921  -1.2609  1.3921  5.9876  4.1659 5.9876  4.1659 0.000000       0.000000 
1 1 1 8  8  55 o 63.483  1.7373 31.702   1.7260  31.702   1.7260  31.702   1.7260  63.483  1.7373 63.483  1.7373 -0.000000      0.000000 
1 1 1 8  8  56 o 10.141  5.2312 1.1938   1.0661  1.1938   1.0661  1.1938   1.0661  10.141  5.2312 10.141  5.2312 -0.000000      0.000000 
1 1 1 8  8  57 o 9.4358  4.9774 1.0224   0.9814  1.0224   0.9814  1.0224   0.9814  9.4358  4.9774 9.4358  4.9774 -0.000000      0.000000 
1 1 1 8  8  58 o 129.608 1.9842 132.051  4.0294  132.051  4.0294  132.051  4.0294  129.608 1.9842 129.608 1.9842 0.000000       0.000000 
1 1 1 8  8  59 o 58.276  2.1368 26.799   1.9461  26.799   1.9461  26.799   1.9461  58.276  2.1368 58.276  2.1368 -0.000000      0.000000 
1 1 1 8  8  60 o 44.362  3.0021 15.724   2.0658  15.724   2.0658  15.724   2.0658  44.362  3.0021 44.362  3.0021 0.000000       0.000000 
1 1 1 8  8  61 o 142.305 2.3819 159.486  5.3103  159.486  5.3103  159.486  5.3103  142.305 2.3819 142.305 2.3819 -0.000000      0.000000 
1 1 1 8  8  62 o 8.2618  5.1985 0.2882   1.4157  0.2882   1.4157  0.2882   1.4157  8.2618  5.1985 8.2618  5.1985 -0.000000      0.000000 
1 1 1 8  8  63 o 78.946  2.1985 49.158   2.7161  49.158   2.7161  49.158   2.7161  78.946  2.1985 78.946  2.1985 -0.000000      0.000000 
1 1 1 8  8  64 o 103.378 1.9632 84.149   3.1791  84.149   3.1791  84.149   3.1791  103.378 1.9632 103.378 1.9632 -0.000000      0.000000 
1 1 1 8  8  65 o 17.689  5.8837 3.2145   1.4528  3.2145   1.4528  3.2145   1.4528  17.689  5.8837 17.689  5.8837 -0.000000      0.000000 
1 1 1 8  8  66 o 35.389  2.8077 10.084   1.5351  10.084   1.5351  10.084   1.5351  35.389  2.8077 35.389  2.8077 0.000000       0.000000 
1 1 1 8  8  67 o 19.940  4.7973 3.6737   1.3004  3.6737   1.3004  3.6737   1.3004  19.940  4.7973 19.940  4.7973 0.000000       0.000000 
1 1 1 8  8  68 o 10.106  5.3777 1.2056   1.1534  1.2056   1.1534  1.2056   1.1534  10.106  5.3777 10.106  5.3777 -0.000000      0.000000 
1 1 1 8  8  69 o 26.211  4.6453 6.0116   1.7299  6.0116   1.7299  6.0116   1.7299  26.211  4.6453 26.211  4.6453 -0.000000      0.000000 
1 1 1 8  8  70 o 13.601  6.6017 2.2797   1.6478  2.2797   1.6478  2.2797   1.6478  13.601  6.6017 13.601  6.6017 0.000000       0.000000 
1 1 1 8  8  71 o 47.136  2.8299 17.865   2.0739  17.865   2.0739  17.865   2.0739  47.136  2.8299 47.136  2.8299 -0.000000      0.000000 
1 1 1 8  8  72 o 44.507  2.9298 16.004   2.0239  16.004   2.0239  16.004   2.0239  44.507  2.9298 44.507  2.9298 -0.000000      0.000000 
1 1 1 8  8  73 o 9.8836  5.8761 1.0055   1.5911  1.0055   1.5911  1.0055   1.5911  9.8836  5.8761 9.8836  5.8761 0.000000       0.000000 
1 1 1 8  8  74 o 17.973  6.3616 3.5426   1.6303  3.5426   1.6303  3.5426   1.6303  17.973  6.3616 17.973  6.3616 0.000000       0.000000 
1 1 1 8  8  75 o 57.640  3.1040 26.927   2.7862  26.927   2.7862  26.927   2.7862  57.640  3.1040 57.640  3.1040 -0.000000      0.000000 
1 1 1 8  8  76 o 32.690  3.6069 8.9666   1.7910  8.9666   1.7910  8.9666   1.7910  32.690  3.6069 32.690  3.6069 -0.000000      0.000000 
1 1 1 8  8  77 o 14.565  6.5896 2.6618   1.6201  2.6618   1.6201  2.6618   1.6201  14.565  6.5896 14.565  6.5896 0.000000       0.000000 
1 1 1 8  8  78 o 10.421  6.7002 0.6668   2.5056  0.6668   2.5056  0.6668   2.5056  10.421  6.7002 10.421  6.7002 0.000000       0.000000 
1 1 1 8  8  79 o 6.0208  4.3841 -4.7672  2.3962  -4.7672  2.3962  -4.7672  2.3962  6.0208  4.3841 6.0208  4.3841 0.000000       0.000000 
1 1 1 8  8  80 o 18.864  9.1588 5.3653   3.1718  5.3653   3.1718  5.3653   3.1718  18.864  9.1588 18.864  9.1588 -0.000000      0.000000 
1 1 1 8  8  81 o 31.024  8.7149 11.029   3.6689  11.029   3.6689  11.029   3.6689  31.024  8.7149 31.024  8.7149 0.000000       0.000000 
1 1 1 9  0  0  o 129.672 2.2355 131.921  4.5413  131.921  4.5413  131.921  4.5413  129.672 2.2355 129.672 2.2355 0.000000       0.000000 
1 1 1 9  0  1  o 376.604 3.3007 1112.09  19.483  1112.09  19.483  1112.09  19.483  376.604 3.3007 376.604 3.3007 0.000000       0.000000 
1 1 1 9  0  2  o 583.590 4.9554 2670.76  45.328  2670.76  45.328  2670.76  45.328  583.590 4.9554 583.590 4.9554 0.000000       0.000000 
1 1 1 9  0  3  o 254.131 2.5915 506.412  10.322  506.412  10.322  506.412  10.322  254.131 2.5915 254.131 2.5915 0.000000       0.000000 
1 1 1 9  0  4  o 329.190 3.2087 849.736  16.555  849.736  16.555  849.736  16.555  329.190 3.2087 329.190 3.2087 0.000000       0.000000 
1 1 1 9  0  5  o 143.202 1.8001 160.822  4.0398  160.822  4.0398  160.822  4.0398  143.202 1.8001 143.202 1.8001 0.000000       0.000000 
1 1 1 9  0  6  o 324.569 3.1729 826.048  16.141  826.048  16.141  826.048  16.141  324.569 3.1729 324.569 3.1729 0.000000       0.000000 
1 1 1 9  0  7  o 820.486 8.4437 5282.05  108.581 5282.05  108.581 5282.05  108.581 820.486 8.4437 820.486 8.4437 0.000000       0.000000 
1 1 1 9  0  8  o 34.157  2.5020 9.2917   1.3232  9.2917   1.3232  9.2917   1.3232  34.157  2.5020 34.157  2.5020 0.000000       0.000000 
1 1 1 9  0  9  o 566.445 5.8974 2516.68  52.356  2516.68  52.356  2516.68  52.356  566.445 5.8974 566.445 5.8974 0.000000       0.000000 
1 1 1 9  0  10 o 325.765 3.5592 832.224  18.172  832.224  18.172  832.224  18.172  325.765 3.5592 325.765 3.5592 -0.000000      0.000000 
1 1 1 9  0  11 o 1047.50 12.418 8617.29  203.860 8617.29  203.860 8617.29  203.860 1047.50 12.418 1047.50 12.418 -0.000000      0.000000 
1 1 1 9  0  12 o 375.705 4.6670 1107.16  27.478  1107.16  27.478  1107.16  27.478  375.705 4.6670 375.705 4.6670 -0.000000      0.000000 
1 1 1 9  0  13 o 409.452 5.0411 1315.03  32.347  1315.03  32.347  1315.03  32.347  409.452 5.0411 409.452 5.0411 -0.000000      0.000000 
1 1 1 9  0  14 o 411.527 4.3887 1328.17  28.306  1328.17  28.306  1328.17  28.306  411.527 4.3887 411.527 4.3887 0.000000       0.000000 
1 1 1 9  0  15 o 1007.67 10.334 7970.17  163.200 7970.17  163.200 7970.17  163.200 1007.67 10.334 1007.67 10.334 0.000000       0.000000 
1 1 1 9  0  16 o 377.492 4.0555 1117.55  23.994  1117.55  23.994  1117.55  23.994  377.492 4.0555 377.492 4.0555 0.000000       0.000000 
1 1 1 9  0  17 o 171.844 2.5902 231.644  6.9744  231.644  6.9744  231.644  6.9744  171.844 2.5902 171.844 2.5902 -0.000000      0.000000 
1 1 1 9  0  18 f 123.492 1.9341 119.630  3.7422  119.630  3.7422  119.630  3.7422  123.492 1.9341 123.492 1.9341 0.000000       0.000000 
1 1 1 9  0  19 o 235.573 2.7371 435.200  10.105  435.200  10.105  435.200  10.105  235.573 2.7371 235.573 2.7371 0.000000       0.000000 
1 1 1 9  0  20 o 296.672 2.9373 690.159  13.658  690.159  13.658  690.159  13.658  296.672 2.9373 296.672 2.9373 0.000000       0.000000 
1 1 1 9  0  21 o 185.957 2.0751 271.165  6.0476  271.165  6.0476  271.165  6.0476  185.957 2.0751 185.957 2.0751 0.000000       0.000000 
1 1 1 9  0  22 o 617.289 6.4060 2989.26  61.976  2989.26  61.976  2989.26  61.976  617.289 6.4060 617.289 6.4060 -0.000000      0.000000 
1 1 1 9  0  23 o 115.184 1.6889 104.065  3.0482  104.065  3.0482  104.065  3.0482  115.184 1.6889 115.184 1.6889 0.000000       0.000000 
1 1 1 9  0  24 o 289.125 2.8768 655.501  13.036  655.501  13.036  655.501  13.036  289.125 2.8768 289.125 2.8768 0.000000       0.000000 
1 1 1 9  0  25 f 386.988 3.7016 1174.42  22.452  1174.42  22.452  1174.42  22.452  386.988 3.7016 386.988 3.7016 0.000000       0.000000 
1 1 1 9  0  26 o 97.937  1.7942 75.262   2.7525  75.262   2.7525  75.262   2.7525  97.937  1.7942 97.937  1.7942 0.000000       0.000000 
1 1 1 9  0  27 o 180.051 2.0392 254.222  5.7542  254.222  5.7542  254.222  5.7542  180.051 2.0392 180.051 2.0392 0.000000       0.000000 
1 1 1 9  0  28 o 233.190 2.4254 426.414  8.8643  426.414  8.8643  426.414  8.8643  233.190 2.4254 233.190 2.4254 0.000000       0.000000 
1 1 1 9  0  29 o 286.811 3.1818 645.155  14.302  645.155  14.302  645.155  14.302  286.811 3.1818 286.811 3.1818 0.000000       0.000000 
1 1 1 9  0  30 o 229.798 2.3953 414.107  8.6269  414.107  8.6269  414.107  8.6269  229.798 2.3953 229.798 2.3953 0.000000       0.000000 
1 1 1 9  0  31 o 179.217 2.0214 251.880  5.6775  251.880  5.6775  251.880  5.6775  179.217 2.0214 179.217 2.0214 0.000000       0.000000 
1 1 1 9  0  32 o 18.195  4.4136 3.0112   1.0911  3.0112   1.0911  3.0112   1.0911  18.195  4.4136 18.195  4.4136 0.000000       0.000000 
1 1 1 9  0  33 f 339.763 3.2987 905.415  17.566  905.415  17.566  905.415  17.566  339.763 3.2987 339.763 3.2987 0.000000       0.000000 
1 1 1 9  0  34 o 79.131  1.6016 49.146   1.9850  49.146   1.9850  49.146   1.9850  79.131  1.6016 79.131  1.6016 -0.000000      0.000000 
1 1 1 9  0  35 o 47.746  1.7456 17.943   1.3026  17.943   1.3026  17.943   1.3026  47.746  1.7456 47.746  1.7456 0.000000       0.000000 
1 1 1 9  0  36 o 276.984 2.5493 601.667  11.068  601.667  11.068  601.667  11.068  276.984 2.5493 276.984 2.5493 -0.000000      0.000000 
1 1 1 9  0  37 o 69.055  1.5208 37.436   1.6446  37.436   1.6446  37.436   1.6446  69.055  1.5208 69.055  1.5208 -0.000000      0.000000 
1 1 1 9  0  38 o 274.972 2.5381 592.978  10.939  592.978  10.939  592.978  10.939  274.972 2.5381 274.972 2.5381 -0.000000      0.000000 
1 1 1 9  0  39 o 293.099 2.6724 673.767  12.277  673.767  12.277  673.767  12.277  293.099 2.6724 293.099 2.6724 -0.000000      0.000000 
1 1 1 9  0  40 o 105.240 1.7532 86.898   2.8907  86.898   2.8907  86.898   2.8907  105.240 1.7532 105.240 1.7532 0.000000       0.000000 
1 1 1 9  0  41 o 51.750  2.0676 21.096   1.6713  21.096   1.6713  21.096   1.6713  51.750  2.0676 51.750  2.0676 -0.000000      0.000000 
1 1 1 9  0  42 o 184.757 2.4659 267.795  7.1393  267.795  7.1393  267.795  7.1393  184.757 2.4659 184.757 2.4659 0.000000       0.000000 
1 1 1 9  0  43 o 90.183  1.7773 63.835   2.5106  63.835   2.5106  63.835   2.5106  90.183  1.7773 90.183  1.7773 0.000000       0.000000 
1 1 1 9  0  44 o 189.608 2.1935 281.994  6.5180  281.994  6.5180  281.994  6.5180  189.608 2.1935 189.608 2.1935 -0.000000      0.000000 
1 1 1 9  0  45 o 296.086 2.9938 687.780  13.893  687.780  13.893  687.780  13.893  296.086 2.9938 296.086 2.9938 0.000000       0.000000 
1 1 1 9  0  46 o 354.583 3.4741 986.632  19.307  986.632  19.307  986.632  19.307  354.583 3.4741 354.583 3.4741 -0.000000      0.000000 
1 1 1 9  0  47 f 329.742 3.2670 853.209  16.884  853.209  16.884  853.209  16.884  329.742 3.2670 329.742 3.2670 -0.000000      0.000000 
1 1 1 9  0  48 o 88.573  1.7895 61.586   2.4825  61.586   2.4825  61.586   2.4825  88.573  1.7895 88.573  1.7895 -0.000000      0.000000 
1 1 1 9  0  49 o 189.447 1.9953 281.517  5.9243  281.517  5.9243  281.517  5.9243  189.447 1.9953 189.447 1.9953 0.000000       0.000000 
1 1 1 9  0  50 f 220.291 2.0007 380.632  6.9079  380.632  6.9079  380.632  6.9079  220.291 2.0007 220.291 2.0007 -0.000000      0.000000 
1 1 1 9  0  51 o 50.217  1.5930 19.831   1.2512  19.831   1.2512  19.831   1.2512  50.217  1.5930 50.217  1.5930 -0.000000      0.000000 
1 1 1 9  0  52 o 51.044  1.7858 20.506   1.4251  20.506   1.4251  20.506   1.4251  51.044  1.7858 51.044  1.7858 0.000000       0.000000 
1 1 1 9  0  53 o 16.905  3.5734 2.5215   0.8332  2.5215   0.8332  2.5215   0.8332  16.905  3.5734 16.905  3.5734 -0.000000      0.000000 
1 1 1 9  0  54 f 46.519  2.8737 17.181   2.0773  17.181   2.0773  17.181   2.0773  46.519  2.8737 46.519  2.8737 -0.000000      0.000000 
1 1 1 9  0  55 o 77.617  2.2421 47.391   2.7230  47.391   2.7230  47.391   2.7230  77.617  2.2421 77.617  2.2421 -0.000000      0.000000 
1 1 1 9  0  56 o 70.332  2.5595 38.991   2.8136  38.991   2.8136  38.991   2.8136  70.332  2.5595 70.332  2.5595 0.000000       0.000000 
1 1 1 9  0  57 o 167.178 2.7393 219.719  7.1748  219.719  7.1748  219.719  7.1748  167.178 2.7393 167.178 2.7393 -0.000000      0.000000 
1 1 1 9  0  58 o 47.958  3.0292 18.296   2.2566  18.296   2.2566  18.296   2.2566  47.958  3.0292 47.958  3.0292 -0.000000      0.000000 
1 1 1 9  0  59 o 88.469  2.4985 61.635   3.4589  61.635   3.4589  61.635   3.4589  88.469  2.4985 88.469  2.4985 -0.000000      0.000000 
1 1 1 9  0  60 f 96.277  2.0029 72.867   3.0201  72.867   3.0201  72.867   3.0201  96.277  2.0029 96.277  2.0029 -0.000000      0.000000 
1 1 1 9  0  61 o 51.061  2.3136 20.610   1.8433  20.610   1.8433  20.610   1.8433  51.061  2.3136 51.061  2.3136 -0.000000      0.000000 
1 1 1 9  0  62 o 39.601  2.2384 12.439   1.3795  12.439   1.3795  12.439   1.3795  39.601  2.2384 39.601  2.2384 -0.000000      0.000000 
1 1 1 9  0  63 o 44.380  2.2687 15.601   1.5690  15.601   1.5690  15.601   1.5690  44.380  2.2687 44.380  2.2687 0.000000       0.000000 
1 1 1 9  0  64 o 25.252  3.5598 5.3200   1.3286  5.3200   1.3286  5.3200   1.3286  25.252  3.5598 25.252  3.5598 -0.000000      0.000000 
1 1 1 9  0  65 o 130.961 1.8111 134.782  3.7166  134.782  3.7166  134.782  3.7166  130.961 1.8111 130.961 1.8111 -0.000000      0.000000 
1 1 1 9  0  66 o 48.415  1.9186 18.504   1.4510  18.504   1.4510  18.504   1.4510  48.415  1.9186 48.415  1.9186 0.000000       0.000000 
1 1 1 9  0  67 o 49.912  1.8904 19.661   1.4743  19.661   1.4743  19.661   1.4743  49.912  1.8904 49.912  1.8904 0.000000       0.000000 
1 1 1 9  0  68 o 64.269  1.6986 32.518   1.7087  32.518   1.7087  32.518   1.7087  64.269  1.6986 64.269  1.6986 -0.000000      0.000000 
1 1 1 9  0  69 o 70.016  1.6261 38.577   1.7827  38.577   1.7827  38.577   1.7827  70.016  1.6261 70.016  1.6261 0.000000       0.000000 
1 1 1 9  0  70 o 30.842  2.2097 7.6053   1.0558  7.6053   1.0558  7.6053   1.0558  30.842  2.2097 30.842  2.2097 -0.000000      0.000000 
1 1 1 9  0  71 o 24.533  2.4418 4.8858   0.9178  4.8858   0.9178  4.8858   0.9178  24.533  2.4418 24.533  2.4418 0.000000       0.000000 
1 1 1 9  0  72 o 31.210  3.9236 8.1224   1.8374  8.1224   1.8374  8.1224   1.8374  31.210  3.9236 31.210  3.9236 -0.000000      0.000000 
1 1 1 9  0  73 o 90.997  2.3762 65.541   3.3845  65.541   3.3845  65.541   3.3845  90.997  2.3762 90.997  2.3762 -0.000000      0.000000 
1 1 1 9  0  74 o 53.166  2.8197 22.613   2.3350  22.613   2.3350  22.613   2.3350  53.166  2.8197 53.166  2.8197 -0.000000      0.000000 
1 1 1 9  0  75 o 86.425  3.0302 59.700   4.0940  59.700   4.0940  59.700   4.0940  86.425  3.0302 86.425  3.0302 0.000000       0.000000 
1 1 1 9  0  76 o 133.776 3.1483 143.245  6.5942  143.245  6.5942  143.245  6.5942  133.776 3.1483 133.776 3.1483 -0.000000      0.000000 
1 1 1 9  0  77 o 43.577  4.0521 15.782   2.7131  15.782   2.7131  15.782   2.7131  43.577  4.0521 43.577  4.0521 0.000000       0.000000 
1 1 1 9  0  78 o 7.2092  5.0610 -2.0338  2.1888  -2.0338  2.1888  -2.0338  2.1888  7.2092  5.0610 7.2092  5.0610 -0.000000      0.000000 
1 1 1 9  0  79 o 24.774  7.2350 6.3813   2.4400  6.3813   2.4400  6.3813   2.4400  24.774  7.2350 24.774  7.2350 0.000000       0.000000 
1 1 1 9  0  80 o 12.379  7.2442 1.8865   2.3513  1.8865   2.3513  1.8865   2.3513  12.379  7.2442 12.379  7.2442 0.000000       0.000000 
1 1 1 9  0  81 o 10.956  6.7620 1.1674   2.2787  1.1674   2.2787  1.1674   2.2787  10.956  6.7620 10.956  6.7620 0.000000       0.000000 
1 1 1 9  0  82 o 28.802  6.2840 7.9773   2.4855  7.9773   2.4855  7.9773   2.4855  28.802  6.2840 28.802  6.2840 0.000000       0.000000 
1 1 1 9  0  83 o 34.903  5.2444 10.963   2.6784  10.963   2.6784  10.963   2.6784  34.903  5.2444 34.903  5.2444 0.000000       0.000000 
1 1 1 9  0  84 o 31.269  5.8217 9.2202   2.5634  9.2202   2.5634  9.2202   2.5634  31.269  5.8217 31.269  5.8217 -0.000000      0.000000 
1 1 1 9  0  85 o 19.053  7.8534 4.7372   2.3241  4.7372   2.3241  4.7372   2.3241  19.053  7.8534 19.053  7.8534 0.000000       0.000000 
1 1 1 9  1  0  o 767.342 7.0752 4618.73  85.093  4618.73  85.093  4618.73  85.093  767.342 7.0752 767.342 7.0752 0.000000       0.000000 
1 1 1 9  1  1  o 216.992 1.6388 369.091  5.5747  371.287  7.9201  366.935  7.8480  217.630 2.3215 216.351 2.3139 1.279160       3.277690 
1 1 1 9  1  2  o 229.316 1.9043 412.213  6.8457  413.425  9.7011  411.011  9.6616  229.644 2.6947 228.973 2.6916 0.6714478      3.808707 
1 1 1 9  1  3  o 413.154 2.7827 1338.18  18.023  1343.95  25.612  1332.52  25.367  414.012 3.9462 412.247 3.9252 1.764038       5.565943 
1 1 1 9  1  4  o 266.974 1.9146 558.718  8.0132  557.440  11.315  560.005  11.350  266.659 2.7067 267.271 2.7089 -0.6126404     3.829389 
1 1 1 9  1  5  o 810.865 5.2799 5156.57  67.116  5085.45  93.512  5232.13  96.387  805.037 7.4096 816.550 7.5298 -11.51288      10.56408 
1 1 1 9  1  6  o 268.254 1.8294 564.087  7.6931  562.214  10.387  566.364  11.450  267.801 2.4742 268.784 2.7173 -0.9831238     3.674927 
1 1 1 9  1  7  o 545.588 3.4356 2333.76  29.385  2373.32  40.457  2289.58  42.750  550.138 4.6911 540.327 5.0469 9.810974       6.890346 
1 1 1 9  1  8  o 478.965 3.0372 1798.50  22.805  1799.75  30.891  1797.00  33.808  479.094 4.1130 478.712 4.5050 0.3818970      6.100139 
1 1 1 9  1  9  o 591.919 3.7131 2747.06  34.455  2762.77  46.919  2728.68  50.761  593.540 5.0425 589.838 5.4896 3.701843       7.454059 
1 1 1 9  1  10 o 198.903 1.4712 310.116  4.5873  312.832  6.2553  306.955  6.7476  199.768 1.9974 197.881 2.1752 1.886856       2.953124 
1 1 1 9  1  11 o 315.664 2.0921 781.108  10.353  779.811  13.989  782.678  15.394  315.390 2.8294 315.964 3.1079 -0.5737915     4.202919 
1 1 1 9  1  12 o 419.366 2.8194 1378.74  18.536  1373.30  26.114  1384.26  26.314  418.505 3.9804 420.170 3.9949 -1.665100      5.639371 
1 1 1 9  1  13 o 180.196 1.4526 254.526  4.1033  256.608  5.8291  252.482  5.7770  180.927 2.0552 179.467 2.0534 1.460480       2.905169 
1 1 1 9  1  14 o 230.913 1.7123 417.970  6.1986  414.377  7.9366  423.590  9.9255  229.913 2.2020 232.449 2.7238 -2.535507      3.502526 
1 1 1 9  1  15 o 434.923 3.0727 1482.98  20.950  1485.22  25.682  1478.53  36.221  435.229 3.7641 434.182 5.3215 1.047455       6.518198 
1 1 1 9  1  16 o 286.417 2.0236 643.072  9.0862  651.799  11.876  630.753  14.110  288.345 2.6273 283.642 3.1733 4.703156       4.119795 
1 1 1 9  1  17 o 256.034 1.9551 513.873  7.8474  514.653  9.6092  512.311  13.597  256.223 2.3923 255.622 3.3932 0.6001740      4.151700 
1 1 1 9  1  18 o 568.745 4.1930 2536.49  37.385  2535.10  47.257  2538.82  61.117  568.521 5.3023 568.815 6.8539 -0.2942505     8.665451 
1 1 1 9  1  19 o 179.656 1.5452 253.007  4.3520  250.503  5.2835  258.292  7.6752  178.762 1.8854 181.512 2.6973 -2.750031      3.290889 
1 1 1 9  1  20 o 343.700 2.4977 926.077  13.458  931.493  16.570  915.581  23.069  344.690 3.0664 341.695 4.3066 2.994385       5.286730 
1 1 1 9  1  21 o 49.487  1.5458 19.197   1.1992  17.057   1.5841  22.070   1.8353  46.646  2.1664 53.060  2.2064 -6.414017      3.092144 
1 1 1 9  1  22 o 122.048 1.3918 116.763  2.6629  116.641  3.3795  116.963  4.3246  121.982 1.7673 122.147 2.2584 -0.1650696     2.867722 
1 1 1 9  1  23 o 108.418 1.2104 92.139   2.0572  92.915   2.9534  91.408   2.8672  108.871 1.7304 107.985 1.6937 0.8863907      2.421393 
1 1 1 9  1  24 f 234.114 1.7381 429.652  6.3790  430.142  9.0634  429.171  8.9799  234.237 2.4682 233.973 2.4482 0.2642975      3.476465 
1 1 1 9  1  25 o 331.744 2.1855 862.766  11.366  860.599  15.365  865.385  16.892  331.307 2.9583 332.218 3.2434 -0.9109192     4.389896 
1 1 1 9  1  26 o 274.434 2.0523 590.418  8.8294  596.726  11.987  582.937  13.054  275.880 2.7717 272.667 3.0540 3.213623       4.124218 
1 1 1 9  1  27 o 266.374 1.8214 556.234  7.6060  552.287  10.233  561.107  11.369  265.414 2.4594 267.519 2.7110 -2.104736      3.660362 
1 1 1 9  1  28 o 535.510 3.3770 2248.80  28.350  2266.81  38.715  2227.99  41.630  537.549 4.5942 532.887 4.9833 4.661499       6.777863 
1 1 1 9  1  29 o 385.382 2.7494 1164.52  16.610  1170.55  22.404  1157.16  24.753  386.327 3.6992 384.085 4.1110 2.241669       5.530332 
1 1 1 9  1  30 o 240.625 1.6833 453.903  6.3498  451.681  8.5700  456.606  9.4551  240.022 2.2776 241.320 2.4993 -1.298798      3.381412 
1 1 1 9  1  31 o 226.848 1.4868 403.410  5.2873  404.589  7.2098  402.038  7.7773  227.169 2.0245 226.447 2.1908 0.7215118      2.983018 
1 1 1 9  1  32 o 131.452 1.0984 135.454  2.2635  135.624  3.0680  135.251  3.3532  131.531 1.4879 131.348 1.6285 0.1827850      2.205845 
1 1 1 9  1  33 o 287.809 1.7871 649.413  8.0631  648.027  10.942  651.060  11.928  287.477 2.4279 288.139 2.6406 -0.6620789     3.587126 
1 1 1 9  1  34 o 224.349 1.4809 394.585  5.2085  403.168  7.2056  385.194  7.5373  226.760 2.0270 221.642 2.1693 5.117264       2.968899 
1 1 1 9  1  35 o 282.804 1.7627 627.036  7.8148  633.930  10.735  619.263  11.399  284.327 2.4084 281.009 2.5875 3.317505       3.534880 
1 1 1 9  1  36 o 404.255 2.3986 1281.53  15.201  1284.14  20.733  1278.50  22.353  404.590 3.2689 403.672 3.5323 0.9177246      4.812776 
1 1 1 9  1  37 o 80.233  1.0426 50.462   1.3113  50.756   1.7777  50.111   1.9421  80.463  1.4093 79.949  1.5495 0.5138092      2.094604 
1 1 1 9  1  38 o 72.854  1.1121 41.608   1.2701  43.798   1.8384  39.609   1.7568  74.743  1.5689 71.078  1.5766 3.664474       2.224260 
1 1 1 9  1  39 o 212.453 1.6424 353.875  5.4701  349.131  8.6328  357.058  7.0707  210.986 2.6100 213.390 2.1137 -2.403534      3.358531 
1 1 1 9  1  40 o 167.558 1.4291 220.107  3.7539  218.456  6.0012  221.168  4.8115  166.904 2.2936 167.952 1.8274 -1.047562      2.932605 
1 1 1 9  1  41 o 208.512 1.5566 340.867  5.0882  337.672  7.5841  343.481  6.8617  207.503 2.3315 209.291 2.0914 -1.787781      3.131999 
1 1 1 9  1  42 o 159.277 1.2756 198.883  3.1852  202.597  5.1495  196.581  4.0536  160.737 2.0436 158.344 1.6330 2.392685       2.615911 
1 1 1 9  1  43 o 87.644  1.2250 60.219   1.6831  60.431   2.5864  60.063   2.2165  87.788  1.8794 87.525  1.6154 0.2631836      2.478227 
1 1 1 9  1  44 o 187.286 1.4712 275.003  4.3194  268.561  6.3849  280.439  5.8652  185.052 2.2009 189.110 1.9784 -4.057693      2.959419 
1 1 1 9  1  45 o 49.457  1.3059 19.176   1.0125  21.273   1.4106  16.948   1.4542  52.087  1.7275 46.488  1.9954 5.598995       2.639287 
1 1 1 9  1  46 o 190.755 1.4138 285.289  4.2277  282.800  5.4390  289.088  6.7199  189.905 1.8270 191.985 2.2327 -2.079819      2.884958 
1 1 1 9  1  47 o 201.564 1.4589 318.546  4.6100  320.775  6.0150  315.374  7.1767  202.247 1.8971 200.515 2.2831 1.731903       2.968436 
1 1 1 9  1  48 o 221.151 1.5511 383.492  5.3774  380.087  6.9251  388.663  8.5342  220.141 2.0066 222.578 2.4458 -2.437424      3.163665 
1 1 1 9  1  49 o 148.403 1.2415 172.671  2.8883  174.705  3.7515  169.711  4.5261  149.262 1.6033 147.098 1.9627 2.164246       2.534325 
1 1 1 9  1  50 o 69.456  1.1618 37.823   1.2650  37.020   1.5706  39.306   2.1344  68.710  1.4581 70.790  1.9233 -2.080017      2.413528 
1 1 1 9  1  51 o 82.772  1.1086 53.716   1.4385  52.228   1.7915  56.416   2.4134  81.612  1.4003 84.809  1.8152 -3.197319      2.292538 
1 1 1 9  1  52 o 165.805 1.2974 215.572  3.3722  214.328  4.3148  217.523  5.4056  165.305 1.6650 166.502 2.0710 -1.197495      2.657283 
1 1 1 9  1  53 o 89.360  1.0840 62.612   1.5185  63.550   1.8532  60.694   2.6492  90.021  1.3132 87.951  1.9215 2.070221       2.327323 
1 1 1 9  1  54 o 71.939  1.4839 40.594   1.6735  43.873   2.6507  38.420   2.1581  74.754  2.2619 69.968  1.9675 4.785988       2.997833 
1 1 1 9  1  55 o 95.868  1.3007 72.084   1.9548  70.451   3.2614  72.999   2.4421  94.722  2.1963 96.458  1.6150 -1.735931      2.726185 
1 1 1 9  1  56 o 11.605  3.8716 1.0012   0.8260  3.6527   1.9105  0.3916   0.9160  21.089  5.6604 9.8872  3.9371 11.20166       6.894953 
1 1 1 9  1  57 o 36.646  1.5555 10.538   0.8936  8.1046   2.1196  11.064   0.9855  31.724  4.3787 37.546  1.6743 -5.822611      4.687932 
1 1 1 9  1  58 o 63.095  1.8944 31.261   1.8738  29.021   3.3333  32.296   2.2657  60.554  3.5267 64.106  2.2545 -3.551708      4.185683 
1 1 1 9  1  59 o 52.337  1.9384 21.516   1.5904  21.759   1.9689  21.060   2.6978  52.603  2.3876 51.564  3.3557 1.038742       4.118393 
1 1 1 9  1  60 o 60.169  1.6693 28.426   1.5746  29.740   2.0823  26.670   2.4062  61.509  2.1595 58.207  2.6369 3.302177       3.408375 
1 1 1 9  1  61 o 37.574  2.2780 11.145   1.3355  12.951   1.8334  9.1028   1.9492  40.431  2.9121 33.718  3.7511 6.712734       4.748829 
1 1 1 9  1  62 o 60.816  1.6016 29.044   1.5269  31.486   2.3253  27.193   2.0246  63.255  2.3450 58.799  2.1964 4.456181       3.212986 
1 1 1 9  1  63 f 56.382  1.5676 24.965   1.3855  24.258   1.9489  25.687   1.9702  55.524  2.2390 57.140  2.1994 -1.615845      3.138567 
1 1 1 9  1  64 o 59.412  1.5661 27.723   1.4587  27.474   1.8227  28.166   2.4327  59.110  1.9669 59.781  2.5959 -0.6704597     3.256886 
1 1 1 9  1  65 o 68.213  1.4898 36.542   1.5931  39.346   2.0381  32.137   2.5544  70.746  1.8377 63.850  2.5519 6.896286       3.144748 
1 1 1 9  1  66 o 17.597  3.7137 2.5490   0.9923  3.0059   1.1065  0.6722   2.2425  19.124  3.8243 14.752  6.0554 4.372169       7.161975 
1 1 1 9  1  67 o 30.030  2.0722 7.1323   0.9695  7.0437   1.1867  7.3103   1.6813  29.770  2.5680 30.130  3.6328 -0.3605309     4.448832 
1 1 1 9  1  68 o 86.930  1.2485 59.334   1.7014  57.668   2.2030  61.796   2.6784  85.648  1.6407 88.611  1.9282 -2.963013      2.531751 
1 1 1 9  1  69 f 52.373  1.3040 21.544   1.0706  21.074   1.3638  22.298   1.7284  51.764  1.6806 53.199  2.0725 -1.434685      2.668258 
1 1 1 9  1  70 o 13.400  3.3059 1.4836   0.6902  1.1551   0.8283  2.2298   1.2482  12.127  3.8655 16.410  4.6434 -4.283182      6.041838 
1 1 1 9  1  71 o 40.440  1.9078 12.887   1.2095  10.957   1.9830  14.030   1.5262  36.913  3.4675 42.080  2.3226 -5.167435      4.173482 
1 1 1 9  1  72 o 38.293  1.9565 11.594   1.1706  8.4161   1.9535  13.374   1.4622  32.142  3.9608 41.074  2.2797 -8.932339      4.570053 
1 1 1 9  1  73 o 19.282  3.3839 3.0556   0.9856  2.6393   1.7762  3.2408   1.1847  17.879  5.6565 19.729  3.9679 -1.850239      6.909467 
1 1 1 9  1  74 o 13.709  4.1881 1.5349   0.9830  -2.2809  2.1812  2.5073   1.1011  10.563  4.9938 17.265  4.1248 -6.701723      6.477046 
1 1 1 9  1  75 o 39.359  1.7694 12.226   1.0918  6.3485   2.5113  13.596   1.2123  26.916  6.0934 41.490  1.8639 -14.57378      6.372104 
1 1 1 9  1  76 o 46.698  2.5700 17.417   1.8742  18.240   2.1477  14.788   3.8376  47.678  2.8870 41.282  6.1148 6.395599       6.762080 
1 1 1 9  1  77 o 61.593  2.8145 30.356   2.7176  28.637   3.2994  33.984   4.7922  59.365  3.5617 63.768  4.8296 -4.403004      6.000926 
1 1 1 9  1  78 o 26.270  5.8325 6.1150   2.3393  5.6649   3.1800  6.6459   3.4536  24.633  7.5340 26.475  7.7959 -1.841293      10.84145 
1 1 1 9  1  79 o 18.675  6.5992 2.9160   2.4104  3.1872   3.3660  2.6306   3.4534  20.052  7.6708 19.291  7.6561 0.7611523      10.83778 
1 1 1 9  1  80 o 23.003  6.7647 4.8827   2.6019  3.9361   3.5872  5.9337   3.7795  21.346  7.9734 24.780  8.2819 -3.434320      11.49630 
1 1 1 9  1  81 o 24.987  5.3246 5.5078   2.0219  5.5567   3.5785  5.4848   2.4506  24.017  8.0584 24.446  6.3407 -0.4282036     10.25394 
1 1 1 9  1  82 o 59.852  2.8766 28.888   2.6991  31.356   4.7026  27.676   3.2960  60.513  5.0020 57.996  3.6438 2.517338       6.188457 
1 1 1 9  1  83 o 17.964  5.9904 2.8500   1.9775  5.8044   3.5082  1.4741   2.3941  24.113  7.9759 15.618  6.3141 8.495256       10.17264 
1 1 1 9  1  84 o 36.089  3.3308 10.758   1.8632  10.912   2.5938  10.593   2.6780  35.427  4.7934 34.702  5.0725 0.7253838      6.979092 
1 1 1 9  1  85 o 29.766  4.0183 7.5678   1.8272  9.4924   2.6060  5.7068   2.5626  32.477  5.3016 24.181  6.5831 8.295723       8.452442 
1 1 1 9  2  0  o 79.923  1.7217 50.140   2.1549  50.140   2.1549  50.140   2.1549  79.923  1.7217 79.923  1.7217 -0.000000      0.000000 
1 1 1 9  2  1  o 220.275 1.6698 380.346  5.7660  373.201  8.0208  387.988  8.2948  218.190 2.3449 222.471 2.3784 -4.280365      3.339951 
1 1 1 9  2  2  o 821.227 5.3499 5289.35  68.876  5271.24  96.997  5307.76  97.817  819.584 7.5494 822.414 7.5870 -2.829773      10.70309 
1 1 1 9  2  3  o 99.352  1.1580 77.373   1.8035  76.616   2.4229  78.314   2.7008  98.863  1.5633 99.952  1.7236 -1.088966      2.326993 
1 1 1 9  2  4  o 403.706 2.6023 1277.66  16.469  1285.92  22.442  1268.02  24.244  404.986 3.5349 402.147 3.8456 2.838562       5.223423 
1 1 1 9  2  5  o 126.707 1.2578 125.847  2.4985  130.587  3.6054  121.467  3.4655  129.070 1.7819 124.481 1.7759 4.588966       2.515695 
1 1 1 9  2  6  o 494.296 3.1344 1915.51  24.288  1918.79  32.951  1911.61  35.940  494.677 4.2490 493.733 4.6433 0.9445190      6.294042 
1 1 1 9  2  7  o 1122.14 6.9308 9879.83  121.923 9739.92  162.658 10059.24 184.193 1113.73 9.3163 1131.59 10.383 -17.86572      13.95005 
1 1 1 9  2  8  o 252.795 1.8401 500.947  7.2924  496.942  10.225  505.093  10.404  251.774 2.5905 253.830 2.6145 -2.056046      3.680540 
1 1 1 9  2  9  o 735.542 4.5791 4242.56  52.801  4283.44  72.242  4195.68  77.364  738.940 6.2363 731.280 6.7484 7.659912       9.188758 
1 1 1 9  2  10 o 597.282 3.7485 2797.12  35.099  2832.20  48.084  2757.10  51.352  600.941 5.1041 592.892 5.5250 8.049072       7.521749 
1 1 1 9  2  11 o 458.943 2.9248 1651.28  21.043  1642.79  28.352  1661.68  31.399  457.728 3.9511 460.336 4.3510 -2.608063      5.877271 
1 1 1 9  2  12 o 334.767 2.1121 878.518  11.084  870.904  14.402  889.581  17.361  333.302 2.7563 336.846 3.2876 -3.543396      4.290187 
1 1 1 9  2  13 o 346.074 2.1761 938.870  11.806  928.551  15.303  954.042  18.555  344.154 2.8364 348.833 3.3931 -4.678772      4.422448 
1 1 1 9  2  14 o 305.340 1.9541 730.847  9.3539  721.735  12.091  744.434  14.763  303.421 2.5418 308.146 3.0560 -4.724579      3.974965 
1 1 1 9  2  15 f 559.339 3.5211 2452.99  30.875  2456.32  38.763  2447.21  51.065  559.673 4.4180 558.542 5.8319 1.131531       7.316434 
1 1 1 9  2  16 o 194.132 1.3966 295.419  4.2502  299.655  5.6287  289.799  6.4827  195.516 1.8364 192.271 2.1508 3.245178       2.828114 
1 1 1 9  2  17 o 142.764 1.2906 159.764  2.8885  160.074  3.7393  159.306  4.5486  142.900 1.6692 142.555 2.0354 0.3452148      2.632270 
1 1 1 9  2  18 o 518.697 3.2795 2109.43  26.667  2098.83  35.930  2122.44  39.792  517.336 4.4302 520.211 4.8793 -2.874573      6.590496 
1 1 1 9  2  19 o 173.586 1.3705 236.197  3.7295  240.896  5.1118  230.848  5.4533  175.301 1.8601 171.605 2.0271 3.696060       2.751210 
1 1 1 9  2  20 o 153.063 1.2859 183.646  3.0856  185.285  4.2037  181.732  4.5434  153.742 1.7441 152.259 1.9035 1.482574       2.581719 
1 1 1 9  2  21 o 312.365 2.1840 764.898  10.695  767.125  15.169  762.696  15.081  312.798 3.0933 311.895 3.0844 0.9040527      4.368308 
1 1 1 9  2  22 o 129.399 1.5362 131.255  3.1162  137.213  4.1920  123.896  4.6588  132.300 2.0212 125.713 2.3640 6.586945       3.110237 
1 1 1 9  2  23 o 289.201 2.2977 655.679  10.417  652.487  11.941  665.845  21.312  288.488 2.6403 291.361 4.6658 -2.872894      5.361074 
1 1 1 9  2  24 o 228.431 1.8135 409.053  6.4941  407.836  7.8976  411.595  11.412  228.085 2.2087 229.115 3.1773 -1.029495      3.869587 
1 1 1 9  2  25 o 118.933 1.1987 110.880  2.2350  112.405  2.7744  108.060  3.7721  119.747 1.4779 117.406 2.0495 2.341042       2.526767 
1 1 1 9  2  26 o 246.010 2.0370 474.458  7.8561  483.380  11.176  465.744  11.045  248.294 2.8712 243.722 2.8909 4.572128       4.074463 
1 1 1 9  2  27 o 429.846 2.9033 1448.77  19.564  1425.85  24.799  1486.54  31.837  426.386 3.7100 435.295 4.6655 -8.908875      5.960765 
1 1 1 9  2  28 o 45.187  1.4743 16.006   1.0443  15.227   1.4160  16.935   1.5464  44.071  2.0495 46.478  2.1224 -2.406242      2.950448 
1 1 1 9  2  29 o 135.460 1.6911 143.850  3.5911  141.243  4.3093  149.774  6.4969  134.223 2.0480 138.201 2.9988 -3.977600      3.631361 
1 1 1 9  2  30 o 174.849 1.3281 239.659  3.6404  238.768  5.1365  240.559  5.1602  174.516 1.8775 175.169 1.8791 -0.6532288     2.656337 
1 1 1 9  2  31 o 346.724 2.1873 942.575  11.889  942.181  16.803  942.971  16.823  346.602 3.0925 346.747 3.0949 -0.1450500     4.375139 
1 1 1 9  2  32 o 273.854 1.8003 587.967  7.7291  584.310  10.855  591.727  11.008  272.973 2.5366 274.699 2.5561 -1.726166      3.601164 
1 1 1 9  2  33 o 191.058 1.3380 286.162  4.0074  285.560  5.4255  286.885  5.9446  190.846 1.8134 191.284 1.9824 -0.4378052     2.686712 
1 1 1 9  2  34 o 209.425 1.4210 343.832  4.6652  335.786  6.2074  354.275  7.0720  206.948 1.9134 212.562 2.1223 -5.614365      2.857443 
1 1 1 9  2  35 o 319.432 2.0397 800.057  10.214  782.922  14.127  818.826  14.785  315.943 2.8523 323.102 2.9190 -7.158386      4.081161 
1 1 1 9  2  36 o 231.375 1.5901 419.708  5.7677  428.654  8.2817  411.283  8.0373  233.803 2.2595 229.018 2.2387 4.785477       3.180728 
1 1 1 9  2  37 o 258.572 1.7246 524.200  6.9906  517.910  9.7553  530.840  10.022  256.984 2.4215 260.171 2.4573 -3.186188      3.449935 
1 1 1 9  2  38 o 339.903 2.2539 905.999  12.010  908.726  17.886  903.760  16.207  340.322 3.3525 339.420 3.0459 0.9018860      4.529573 
1 1 1 9  2  39 o 197.596 1.5058 306.104  4.6646  307.020  6.9839  305.366  6.2675  197.866 2.2515 197.341 2.0259 0.5251770      3.028787 
1 1 1 9  2  40 o 66.178  1.2060 34.333   1.2512  35.715   1.8223  33.100   1.7209  67.493  1.7223 64.975  1.6895 2.517433       2.412596 
1 1 1 9  2  41 o 147.828 1.2448 171.319  2.8848  166.469  4.0169  176.484  4.1456  145.710 1.7585 150.029 1.7626 -4.319290      2.489833 
1 1 1 9  2  42 o 476.193 2.9109 1778.99  21.730  1792.73  30.968  1765.66  30.499  477.815 4.1343 474.200 4.1027 3.615204       5.824478 
1 1 1 9  2  43 o 308.208 1.9892 744.906  9.6113  752.692  13.749  737.465  13.441  309.746 2.8314 306.600 2.7965 3.145752       3.979614 
1 1 1 9  2  44 o 77.118  1.1151 46.623   1.3481  45.328   2.0290  47.647   1.8038  76.032  1.7023 77.956  1.4760 -1.924118      2.253050 
1 1 1 9  2  45 o 74.956  1.1152 44.046   1.3105  42.604   1.9870  45.155   1.7434  73.711  1.7195 75.890  1.4654 -2.179184      2.259234 
1 1 1 9  2  46 o 281.112 1.7832 619.682  7.8584  627.815  10.841  610.677  11.408  282.897 2.4445 278.994 2.6082 3.903473       3.574673 
1 1 1 9  2  47 o 93.724  1.1326 68.867   1.6642  69.665   2.3039  67.996   2.4064  94.258  1.5592 93.120  1.6484 1.138222       2.268991 
1 1 1 9  2  48 o 96.183  1.0829 72.527   1.6328  71.955   2.1901  73.243   2.4498  95.796  1.4584 96.645  1.6169 -0.8493118     2.177476 
1 1 1 9  2  49 o 102.179 1.1449 81.855   1.8340  82.619   2.4687  80.915   2.7397  102.645 1.5342 101.575 1.7205 1.069626       2.305202 
1 1 1 9  2  50 o 172.679 1.3671 233.813  3.7007  236.198  5.0133  230.958  5.4856  173.531 1.8429 171.582 2.0394 1.949081       2.748672 
1 1 1 9  2  51 f 27.828  2.0419 6.1085   0.8845  5.9586   1.0214  6.5583   1.7691  27.449  2.3977 28.589  4.0615 -1.140335      4.716388 
1 1 1 9  2  52 o 84.659  1.2103 56.201   1.6063  55.844   1.8831  57.154   3.0780  84.384  1.4235 85.330  2.3010 -0.9467087     2.705717 
1 1 1 9  2  53 o 93.302  1.2223 68.266   1.7878  68.869   2.0324  66.202   3.7593  93.707  1.3835 91.806  2.6121 1.901520       2.955851 
1 1 1 9  2  54 o 157.142 1.8606 193.794  4.5835  193.748  5.8045  193.869  7.4703  157.066 2.3574 157.014 3.0349 0.5212402E-01  3.842900 
1 1 1 9  2  55 o 59.125  1.8292 27.438   1.6954  26.562   2.2559  28.574   2.5701  58.142  2.4750 60.288  2.7194 -2.146206      3.677053 
1 1 1 9  2  56 o 162.950 2.0423 208.519  5.2172  208.459  6.9604  208.596  7.8815  162.806 2.7272 162.783 3.0885 0.2296448E-01  4.120219 
1 1 1 9  2  57 o 81.411  1.7723 52.032   2.2620  48.935   3.1474  55.342   3.2530  78.884  2.5451 83.898  2.4734 -5.013206      3.548927 
1 1 1 9  2  58 o 79.735  1.7837 49.920   2.2296  49.215   3.2229  50.567   3.0877  79.092  2.5993 80.187  2.4563 -1.094948      3.576294 
1 1 1 9  2  59 o 33.895  2.3372 9.0776   1.2343  8.4573   1.6134  9.9530   1.9166  32.594  3.1989 35.333  3.5065 -2.739788      4.746385 
1 1 1 9  2  60 f 121.992 1.3790 116.796  2.6372  116.940  3.9644  116.683  3.5320  121.972 2.0733 121.873 1.8487 0.9912109E-01  2.777800 
1 1 1 9  2  61 f 47.146  1.3617 17.446   1.0064  14.682   1.7072  18.918   1.2460  43.108  2.5375 49.082  1.6193 -5.974033      3.010122 
1 1 1 9  2  62 o 68.447  1.6700 36.800   1.7919  37.000   2.2482  36.450   2.9670  68.592  2.0908 67.994  2.7835 0.5982590      3.481270 
1 1 1 9  2  63 o 35.145  1.9807 9.7429   1.0868  9.2161   1.5570  10.243   1.5177  34.046  2.9463 35.943  2.7135 -1.897232      4.005456 
1 1 1 9  2  64 o 58.971  1.4513 27.308   1.3417  27.585   1.7229  26.881   2.1386  59.236  1.8554 58.425  2.3349 0.8107338      2.982316 
1 1 1 9  2  65 o 112.904 1.2784 100.067  2.2628  95.721   3.0037  105.769  3.4406  110.355 1.7363 115.973 1.8924 -5.617584      2.568252 
1 1 1 9  2  66 o 84.150  1.2457 55.590   1.6433  57.135   2.2238  53.731   2.4390  85.261  1.6638 82.650  1.8824 2.610397       2.512260 
1 1 1 9  2  67 o 20.137  2.6866 3.2581   0.8269  2.9732   1.0399  3.7480   1.3638  19.040  3.6162 21.307  4.2321 -2.267410      5.566644 
1 1 1 9  2  68 o 37.796  1.5834 11.230   0.9382  11.489   1.1868  10.797   1.5318  38.146  1.9915 36.869  2.6683 1.277451       3.329549 
1 1 1 9  2  69 o 40.225  1.4534 12.717   0.9165  12.452   1.1328  13.220   1.5594  39.774  1.8168 40.840  2.4470 -1.066681      3.047695 
1 1 1 9  2  70 o 60.985  1.5928 29.256   1.5228  31.070   2.5700  28.274   1.8903  62.659  2.6164 59.889  2.0134 2.769772       3.301404 
1 1 1 9  2  71 o 14.486  4.5094 1.6938   1.1335  2.6054   1.7749  1.0659   1.4730  17.850  5.6553 13.350  5.0822 4.499614       7.603387 
1 1 1 9  2  72 o 15.320  4.8342 1.9015   1.2980  0.0882   1.7038  4.4090   2.0036  12.000  5.1230 22.676  5.6553 -10.67597      7.630680 
1 1 1 9  2  73 o 33.842  2.4234 9.1221   1.2772  9.3258   1.9326  8.9641   1.7018  33.871  3.6998 33.322  3.3012 0.5490303      4.958510 
1 1 1 9  2  74 o 38.737  2.1825 11.916   1.3199  11.005   2.6419  12.220   1.5237  36.355  4.7491 39.151  2.4957 -2.796570      5.364926 
1 1 1 9  2  75 o 32.682  2.2382 8.5086   1.1399  7.8632   1.9684  8.8342   1.3981  30.803  4.1846 33.183  2.7113 -2.379570      4.986214 
1 1 1 9  2  76 o 27.015  2.5226 5.8616   1.0560  5.4701   1.8091  6.0638   1.3005  25.356  4.7251 27.321  3.0909 -1.965012      5.646276 
1 1 1 9  2  77 o 22.979  2.7732 4.2834   0.9788  1.9096   1.7058  5.4487   1.1952  15.662  5.5497 25.886  3.0008 -10.22411      6.308992 
1 1 1 9  2  78 o 31.808  2.3371 8.0985   1.1572  7.9090   2.6455  8.1434   1.2869  29.907  5.8521 31.818  2.6026 -1.910858      6.404779 
1 1 1 9  2  79 o 42.820  3.6175 15.042   2.4056  18.596   3.0175  8.8445   3.9849  47.345  4.1061 30.025  8.2239 17.32042       9.191970 
1 1 1 9  2  80 o 39.444  3.9250 12.902   2.3948  14.738   2.8892  8.8740   4.2806  41.848  4.4733 29.636  8.6658 12.21245       9.752256 
1 1 1 9  2  81 o 42.707  4.6326 15.473   3.0518  15.473   3.0518  0.0000   0.0000  42.707  4.6326 ?       ?      0.000000       4.632637 
1 1 1 9  2  82 o 24.042  6.8385 5.4892   2.7001  5.4892   2.7001  0.0000   0.0000  24.042  6.8385 ?       ?      0.000000       6.838464 
1 1 1 9  2  83 o 23.341  6.7422 5.2203   2.6053  5.2203   2.6053  0.0000   0.0000  23.341  6.7422 ?       ?      0.000000       6.742202 
1 1 1 9  2  84 o 11.118  5.1168 -1.0132  2.0548  -2.8533  2.4571  3.2673   3.7476  10.555  5.0745 19.626  7.9119 -9.070592      9.399419 
1 1 1 9  3  0  o 119.830 1.7800 112.630  3.3420  112.630  3.3420  112.630  3.3420  119.830 1.7800 119.830 1.7800 -0.000000      0.000000 
1 1 1 9  3  1  o 348.447 2.1915 951.788  11.971  938.782  16.706  965.513  17.162  346.040 3.0796 350.932 3.1196 -4.891235      4.383560 
1 1 1 9  3  2  o 338.966 2.1411 900.695  11.377  901.997  16.112  899.400  16.068  339.194 3.0300 338.706 3.0261 0.4884949      4.282341 
1 1 1 9  3  3  o 481.860 2.9325 1820.31  22.152  1836.57  31.614  1804.63  31.049  483.962 4.1669 479.737 4.1285 4.225281       5.865818 
1 1 1 9  3  4  o 168.864 1.3009 223.518  3.4437  226.074  4.9091  221.041  4.8322  169.824 1.8439 167.923 1.8356 1.900955       2.601850 
1 1 1 9  3  5  o 289.172 1.9566 655.500  8.8696  655.415  11.998  655.602  13.171  289.144 2.6469 289.181 2.9053 -0.3671265E-01 3.930274 
1 1 1 9  3  6  o 69.096  1.2081 37.424   1.3086  36.566   1.7611  38.482   1.9554  68.299  1.6448 70.065  1.7803 -1.765724      2.423795 
1 1 1 9  3  7  f 948.926 5.8737 7063.24  87.377  7051.10  118.107 7077.92  129.868 947.824 7.9487 949.496 8.7248 -1.671692      11.80269 
1 1 1 9  3  8  o 490.360 3.1138 1885.14  23.936  1842.25  31.642  1942.53  36.598  484.710 4.1642 497.703 4.6907 -12.99286      6.272409 
1 1 1 9  3  9  o 196.414 1.4818 302.404  4.5627  302.696  6.1821  302.055  6.7621  196.504 2.0068 196.295 2.1974 0.2096100      2.975918 
1 1 1 9  3  10 o 276.526 1.8881 599.419  8.1847  596.156  11.024  603.428  12.218  275.764 2.5501 277.436 2.8091 -1.672546      3.793934 
1 1 1 9  3  11 o 537.145 3.3922 2262.15  28.565  2319.16  39.673  2200.77  41.162  543.809 4.6537 529.730 4.9566 14.07959       6.798858 
1 1 1 9  3  12 o 797.202 4.9590 4984.33  61.975  5000.05  84.231  4965.78  91.511  798.268 6.7309 795.449 7.3385 2.818787       9.957829 
1 1 1 9  3  13 o 594.472 3.7360 2770.95  34.817  2776.99  47.279  2763.79  51.464  595.037 5.0684 593.588 5.5305 1.449219       7.501665 
1 1 1 9  3  14 o 403.214 2.7305 1274.60  17.260  1275.42  22.297  1273.38  27.262  403.320 3.5265 402.967 4.3155 0.3524780      5.573143 
1 1 1 9  3  15 o 133.991 1.3016 140.731  2.7341  140.329  3.8748  141.130  3.8585  133.796 1.8474 134.178 1.8344 -0.3815765     2.603377 
1 1 1 9  3  16 o 607.496 3.8137 2893.80  36.320  2835.80  48.127  2970.54  55.357  601.290 5.1057 615.356 5.7384 -14.06573      7.680976 
1 1 1 9  3  17 o 435.603 2.6741 1487.60  18.261  1460.39  23.463  1529.41  29.083  431.573 3.4679 441.623 4.2008 -10.04971      5.447288 
1 1 1 9  3  18 o 654.830 3.7716 3362.37  38.717  3336.98  52.322  3393.10  57.561  652.248 5.1170 657.667 5.5830 -5.418335      7.573217 
1 1 1 9  3  19 o 540.427 3.1435 2289.91  26.632  2324.26  36.815  2252.20  38.573  544.400 4.3138 535.875 4.5917 8.524170       6.300164 
1 1 1 9  3  20 o 342.747 2.0815 920.926  11.184  925.369  15.293  915.818  16.398  343.554 2.8395 341.770 3.0607 1.784027       4.175007 
1 1 1 9  3  21 o 229.510 1.5863 412.915  5.7075  410.122  8.0000  415.809  8.1451  228.724 2.2311 230.304 2.2560 -1.579803      3.172940 
1 1 1 9  3  22 o 334.178 2.0371 875.461  10.672  879.828  14.588  870.432  15.653  334.991 2.7778 333.190 2.9968 1.800415       4.086179 
1 1 1 9  3  23 o 348.862 2.1149 954.108  11.566  964.577  15.889  942.308  16.869  350.747 2.8897 346.667 3.1041 4.080109       4.240969 
1 1 1 9  3  24 o 499.910 2.9208 1959.49  22.890  1967.10  31.282  1950.73  33.582  500.811 3.9845 498.699 4.2955 2.111877       5.858974 
1 1 1 9  3  25 o 589.739 3.5521 2727.49  32.840  2722.62  46.309  2732.41  46.578  589.065 5.0147 590.121 5.0349 -1.055420      7.106133 
1 1 1 9  3  26 o 306.250 2.0588 735.288  9.8842  719.136  14.294  750.088  13.683  302.836 3.0109 309.292 2.8220 -6.455750      4.126592 
1 1 1 9  3  27 o 494.341 3.1420 1916.39  24.350  1948.97  33.534  1880.06  35.414  498.422 4.2917 489.498 4.6150 8.923615       6.302137 
1 1 1 9  3  28 o 336.222 2.2332 886.320  11.771  891.711  15.982  879.929  17.402  337.206 3.0234 334.955 3.3140 2.251251       4.485914 
1 1 1 9  3  29 o 123.348 1.4352 119.272  2.7752  121.293  3.1997  113.134  5.5761  124.386 1.6409 120.109 2.9614 4.277496       3.385657 
1 1 1 9  3  30 f 570.737 3.7744 2555.55  33.770  2560.56  47.756  2550.55  47.761  571.041 5.3347 569.922 5.3457 1.118774       7.552180 
1 1 1 9  3  31 o 387.597 2.6522 1178.15  16.115  1185.00  20.836  1167.97  25.423  388.656 3.4197 385.771 4.2038 2.884827       5.419114 
1 1 1 9  3  32 f 48.928  1.5167 18.768   1.1633  19.037   1.4266  18.233   2.0099  49.276  1.8468 48.144  2.6736 1.131939       3.249409 
1 1 1 9  3  33 f 55.110  1.3256 23.809   1.1452  24.845   1.5235  22.464   1.7366  56.294  1.7264 53.525  2.0696 2.768169       2.695065 
1 1 1 9  3  34 o 190.102 1.4750 283.317  4.3957  283.256  5.9114  283.391  6.5742  190.068 1.9839 190.106 2.2059 -0.3814697E-01 2.966851 
1 1 1 9  3  35 o 198.212 1.5958 308.017  4.9587  312.047  7.0540  304.080  6.9720  199.483 2.2557 196.920 2.2585 2.563004       3.191996 
1 1 1 9  3  36 f 116.742 1.2927 106.842  2.3658  106.932  3.3423  106.752  3.3491  116.783 1.8256 116.684 1.8309 0.9857941E-01  2.585575 
1 1 1 9  3  37 o 309.921 2.0931 753.172  10.169  763.601  15.284  744.888  13.622  311.984 3.1250 308.162 2.8198 3.821503       4.209132 
1 1 1 9  3  38 f 223.872 1.5676 392.935  5.5015  396.142  7.8288  389.807  7.7326  224.758 2.2219 222.954 2.2124 1.803787       3.135523 
1 1 1 9  3  39 o 332.266 2.1204 865.731  11.045  871.462  15.718  860.141  15.524  333.291 3.0083 331.121 2.9905 2.170258       4.241825 
1 1 1 9  3  40 o 113.429 1.2163 100.864  2.1628  98.241   3.1274  103.270  2.9944  111.935 1.7822 114.766 1.6643 -2.831543      2.438503 
1 1 1 9  3  41 o 310.466 2.0904 755.880  10.174  747.930  14.897  762.830  13.929  308.746 3.0778 311.828 2.8493 -3.082397      4.194259 
1 1 1 9  3  42 o 294.851 1.9185 681.721  8.8680  680.304  13.682  682.748  11.645  294.461 2.9639 295.029 2.5179 -0.5685425     3.889015 
1 1 1 9  3  43 o 94.392  1.1857 69.850   1.7545  69.989   2.6546  69.741   2.3379  94.476  1.7924 94.312  1.5813 0.1633682      2.390208 
1 1 1 9  3  44 o 83.927  1.2714 55.222   1.6728  55.675   2.3674  54.770   2.3639  84.261  1.7922 83.574  1.8043 0.6874237      2.543143 
1 1 1 9  3  45 o 110.203 1.2789 95.216   2.2094  91.809   3.0253  99.111   3.2343  108.202 1.7835 112.421 1.8352 -4.218849      2.559086 
1 1 1 9  3  46 o 75.371  1.2418 44.538   1.4673  42.448   2.0081  46.931   2.1492  73.574  1.7410 77.360  1.7722 -3.786247      2.484332 
1 1 1 9  3  47 f 131.745 1.2794 136.084  2.6424  137.378  3.5792  134.533  3.9177  132.355 1.7250 130.971 1.9081 1.384399       2.572241 
1 1 1 9  3  48 o 42.482  1.6226 14.153   1.0806  13.348   1.4976  15.026   1.5607  41.180  2.3293 43.704  2.2860 -2.523495      3.263659 
1 1 1 9  3  49 o 69.351  1.5225 37.717   1.6553  36.134   1.9525  41.760   3.1210  67.874  1.8350 72.936  2.7296 -5.062622      3.289090 
1 1 1 9  3  50 o 126.243 1.2775 124.968  2.5283  123.743  2.9562  128.306  4.8788  125.613 1.5012 127.855 2.4341 -2.241402      2.859818 
1 1 1 9  3  51 o 97.977  1.1599 75.271   1.7815  73.811   2.1490  78.479   3.1853  97.014  1.4130 100.007 2.0317 -2.992477      2.474790 
1 1 1 9  3  52 o 42.012  1.3233 13.842   0.8715  13.518   1.0955  14.401   1.4385  41.510  1.6834 42.780  2.1519 -1.269688      2.732110 
1 1 1 9  3  53 o 78.216  1.2676 47.980   1.5543  44.907   2.2638  50.720   2.1379  75.643  1.9090 80.401  1.6962 -4.757538      2.553681 
1 1 1 9  3  54 o 54.885  1.3728 23.630   1.1812  22.581   1.8060  24.413   1.5614  53.625  2.1483 55.773  1.7858 -2.148720      2.793631 
1 1 1 9  3  55 o 157.748 1.5257 195.256  3.7730  192.868  5.0253  198.340  5.7122  156.716 2.0455 158.886 2.2933 -2.169678      3.072992 
1 1 1 9  3  56 o 247.257 2.1142 480.266  8.1950  481.565  11.748  479.036  11.438  247.302 3.0302 246.678 2.9577 0.6237335      4.234345 
1 1 1 9  3  57 o 67.839  1.6850 36.129   1.7920  37.111   2.9898  35.578   2.2386  68.664  2.7775 67.289  2.1222 1.374199       3.495465 
1 1 1 9  3  58 o 37.801  2.1261 11.266   1.2548  9.4480   1.8852  12.712   1.6814  34.411  3.5454 40.095  2.6906 -5.684063      4.450731 
1 1 1 9  3  59 o 23.723  2.7724 4.4928   1.0116  5.3299   1.3716  3.4944   1.4979  25.746  3.4882 20.563  4.7434 5.182930       5.887928 
1 1 1 9  3  60 o 108.320 1.3800 92.091   2.3434  92.183   3.1865  91.984   3.4583  108.312 1.8766 108.172 2.0394 0.1409378      2.771456 
1 1 1 9  3  61 o 117.289 1.3941 107.988  2.5634  106.838  3.4777  109.356  3.7931  116.590 1.9027 117.930 2.0517 -1.339958      2.798216 
1 1 1 9  3  62 o 41.997  1.8068 13.861   1.1895  12.290   1.7006  15.365   1.6645  39.381  2.7724 44.107  2.4165 -4.725807      3.677686 
1 1 1 9  3  63 o 37.359  1.9181 11.003   1.1196  9.6556   1.6369  12.187   1.5347  34.833  3.0278 39.248  2.5074 -4.414047      3.931212 
1 1 1 9  3  64 o 53.202  1.6101 22.238   1.3429  23.515   1.9335  21.048   1.8665  54.647  2.2570 51.696  2.3031 2.950932       3.224653 
1 1 1 9  3  65 o 17.227  3.9892 2.4547   1.0561  2.9852   1.4131  1.7833   1.5897  18.944  4.7631 15.549  5.3682 3.395523       7.176682 
1 1 1 9  3  66 o 42.737  1.6626 14.358   1.1139  14.186   1.3591  14.709   1.9440  42.449  2.0424 43.035  2.8984 -0.5856171     3.545736 
1 1 1 9  3  67 o 26.470  2.3000 5.5660   0.9449  5.5789   1.1335  5.5367   1.7107  26.421  2.7784 25.968  4.3567 0.4526443      5.167192 
1 1 1 9  3  68 o 61.250  1.3142 29.469   1.2619  29.944   1.6048  28.699   2.0427  61.702  1.6590 60.334  2.1597 1.368050       2.723339 
1 1 1 9  3  69 o 69.334  1.2697 37.764   1.3801  38.085   1.7583  37.249   2.2275  69.581  1.6119 68.735  2.0672 0.8462524      2.621368 
1 1 1 9  3  70 o 11.763  4.4154 0.8511   1.1026  2.8412   1.8152  -0.3127  1.3881  18.523  5.6966 10.196  4.4854 8.327866       7.250570 
1 1 1 9  3  71 o 12.307  4.4435 1.0443   1.0987  0.5209   1.7755  1.3691   1.3986  13.011  5.3699 13.932  5.0157 -0.9211988     7.347995 
1 1 1 9  3  72 o 40.110  2.1178 12.749   1.3269  13.005   2.1787  12.599   1.6731  40.141  3.4971 39.737  2.7018 0.4039459      4.419231 
1 1 1 9  3  73 o 28.848  2.6160 6.6660   1.1702  6.2819   1.8824  6.9078   1.4939  27.421  4.5379 29.183  3.3248 -1.762552      5.625549 
1 1 1 9  3  74 o 38.515  2.3435 11.814   1.4083  13.800   2.7971  11.140   1.6299  40.848  4.4394 37.266  2.8106 3.581982       5.254363 
1 1 1 9  3  75 o 36.621  2.4590 10.716   1.4035  13.697   2.8683  9.7779   1.6093  40.530  4.5955 34.817  2.9771 5.713093       5.475602 
1 1 1 9  3  76 o 73.263  1.5598 42.349   1.7915  46.547   2.9776  39.966   2.2429  76.425  2.4853 71.017  2.0146 5.407654       3.199256 
1 1 1 9  3  77 o 28.956  2.8679 6.7887   1.2847  5.7013   1.8700  7.7607   1.7680  25.780  4.8037 30.646  3.7587 -4.865623      6.099502 
1 1 1 9  3  78 o 17.063  4.8345 2.5170   1.3522  1.1255   2.4813  3.1048   1.6126  15.434  6.3564 18.815  5.2618 -3.381244      8.251687 
1 1 1 9  3  79 o 34.233  2.5327 9.4216   1.3496  4.8656   2.7221  10.906   1.5540  22.878  6.9650 36.779  2.7144 -13.90039      7.475270 
1 1 1 9  3  80 o 16.631  4.6528 2.3975   1.2607  4.6462   2.6072  1.7112   1.4403  22.352  6.8191 14.648  5.1067 7.703831       8.519355 
1 1 1 9  3  81 o 46.528  2.0780 17.230   1.5157  19.916   3.3261  16.526   1.7027  48.589  4.4148 45.393  2.4013 3.196354       5.025644 
1 1 1 9  3  82 o 10.057  4.6831 -1.2974  1.7976  -2.0751  2.5107  -0.4795  2.5748  11.438  5.3920 13.226  5.9448 -1.788484      8.025891 
1 1 1 9  3  83 o 19.317  5.7097 3.4284   1.8494  0.4366   2.5767  6.6076   2.6561  14.266  6.1966 26.328  6.4793 -12.06183      8.965468 
1 1 1 9  3  84 o 22.674  5.4195 4.7393   1.9002  6.7693   2.7773  2.9528   2.6054  26.236  6.7223 18.181  6.7944 8.054680       9.557876 
1 1 1 9  4  0  o 406.374 3.5561 1294.90  22.651  1294.90  22.651  1294.90  22.651  406.374 3.5561 406.374 3.5561 -0.000000      0.000000 
1 1 1 9  4  1  o 216.865 1.5247 368.657  5.1837  374.649  7.4357  362.992  7.2303  218.614 2.1697 215.186 2.1433 3.427383       3.049800 
1 1 1 9  4  2  o 168.445 1.3183 222.411  3.4812  228.889  5.0288  216.451  4.8239  170.877 1.8773 166.169 1.8518 4.707748       2.636892 
1 1 1 9  4  3  o 273.166 1.7996 584.939  7.7065  579.542  10.793  590.552  11.007  271.893 2.5321 274.464 2.5583 -2.570282      3.599509 
1 1 1 9  4  4  o 613.279 3.6871 2949.01  35.449  2968.17  50.398  2930.25  49.869  615.171 5.2260 611.230 5.2045 3.940796       7.375444 
1 1 1 9  4  5  f 179.928 1.3590 253.769  3.8333  255.168  5.4285  252.378  5.4138  180.419 1.9193 179.430 1.9247 0.9890442      2.718098 
1 1 1 9  4  6  o 297.378 1.9250 693.234  8.9744  712.598  13.034  675.780  12.375  301.489 2.7578 293.599 2.6886 7.890594       3.851494 
1 1 1 9  4  7  o 503.410 3.0580 1986.84  24.133  1994.73  34.275  1979.09  33.986  504.353 4.3351 502.373 4.3154 1.979736       6.116807 
1 1 1 9  4  8  o 33.138  1.7638 8.6324   0.9130  10.841   1.3604  6.8227   1.2315  37.112  2.3504 29.376  2.7046 7.736212       3.583215 
1 1 1 9  4  9  o 392.902 2.3466 1210.18  14.454  1221.01  21.439  1201.15  19.570  394.625 3.4655 391.412 3.1893 3.213654       4.709754 
1 1 1 9  4  10 o 250.387 1.6888 491.448  6.6290  502.541  9.5355  481.072  9.2220  253.188 2.4024 247.721 2.3747 5.466812       3.377975 
1 1 1 9  4  11 o 386.674 2.4119 1172.13  14.620  1180.09  20.774  1164.32  20.580  387.957 3.4157 385.356 3.4067 2.600739       4.824172 
1 1 1 9  4  12 o 413.430 2.5584 1339.99  16.582  1330.83  23.259  1349.44  23.645  411.983 3.6014 414.852 3.6357 -2.869476      5.117455 
1 1 1 9  4  13 o 171.234 1.4639 229.842  3.9296  232.968  5.5866  226.781  5.5284  172.390 2.0672 170.085 2.0734 2.304886       2.927817 
1 1 1 9  4  14 o 322.087 2.1553 813.247  10.883  824.824  14.908  800.038  15.923  324.354 2.9318 319.437 3.1798 4.917023       4.325078 
1 1 1 9  4  15 o 332.141 2.2148 864.820  11.532  870.691  17.193  860.017  15.549  333.239 3.2910 331.199 2.9947 2.040680       4.449660 
1 1 1 9  4  16 o 269.391 1.7901 568.889  7.5597  559.396  10.489  579.152  10.906  267.122 2.5047 271.797 2.5595 -4.674988      3.581140 
1 1 1 9  4  17 o 199.039 1.5223 310.548  4.7499  317.973  7.1429  304.662  6.3598  201.396 2.2624 197.138 2.0579 4.257828       3.058330 
1 1 1 9  4  18 o 340.622 2.2602 909.572  12.069  921.748  16.515  895.614  17.682  342.872 3.0725 337.968 3.3373 4.904236       4.536281 
1 1 1 9  4  19 o 388.809 2.4258 1185.16  14.786  1200.47  21.144  1170.51  20.684  391.275 3.4471 386.362 3.4149 4.913208       4.852235 
1 1 1 9  4  20 o 174.421 1.4029 238.480  3.8359  234.923  5.1285  242.997  5.7793  173.111 1.8898 176.058 2.0939 -2.947418      2.820601 
1 1 1 9  4  21 o 399.242 2.4828 1249.66  15.540  1249.18  21.934  1250.15  22.018  399.122 3.5056 399.276 3.5177 -0.1533203     4.966236 
1 1 1 9  4  22 o 349.966 2.0492 960.161  11.243  971.181  15.016  946.104  16.959  351.947 2.7216 347.358 3.1144 4.588806       4.136081 
1 1 1 9  4  23 o 531.416 2.9854 2214.38  24.871  2219.57  32.964  2207.52  37.894  531.966 3.9528 530.464 4.5568 1.501709       6.032356 
1 1 1 9  4  24 o 176.712 1.3007 244.787  3.6034  247.632  4.6146  240.342  5.7681  177.732 1.6562 175.090 2.1015 2.642059       2.675665 
1 1 1 9  4  25 o 237.646 1.5663 442.728  5.8354  433.624  7.7789  454.446  8.8246  235.178 2.1099 240.753 2.3381 -5.574341      3.149394 
1 1 1 9  4  26 o 140.064 1.2184 153.783  2.6753  152.917  3.7226  154.708  3.8474  139.664 1.7002 140.479 1.7470 -0.8148041     2.437803 
1 1 1 9  4  27 o 225.410 1.6369 398.324  5.7843  393.279  7.7263  404.757  8.7249  223.964 2.2006 227.201 2.4496 -3.236984      3.292907 
1 1 1 9  4  28 o 47.345  1.3231 17.572   0.9821  18.957   1.3394  15.963   1.4441  49.173  1.7376 45.122  2.0416 4.051567       2.680902 
1 1 1 9  4  29 o 426.486 2.6358 1426.38  17.623  1425.91  23.024  1427.04  27.384  426.346 3.4448 426.444 4.0961 -0.9881592E-01 5.352085 
1 1 1 9  4  30 o 67.246  1.2167 35.449   1.2826  33.808   1.7012  37.609   1.9525  65.668  1.6525 69.260  1.7982 -3.591827      2.442241 
1 1 1 9  4  31 o 101.577 1.0966 80.882   1.7461  77.836   2.3063  84.974   2.6729  99.642  1.4764 104.109 1.6378 -4.466614      2.205019 
1 1 1 9  4  32 o 253.676 1.6460 504.517  6.5459  515.405  9.0543  492.594  9.4746  256.374 2.2528 250.630 2.4114 5.744904       3.300029 
1 1 1 9  4  33 o 243.379 1.7372 464.409  6.6281  463.422  8.8645  465.659  9.9818  243.096 2.3261 243.668 2.6131 -0.5714111     3.498414 
1 1 1 9  4  34 o 426.261 2.7542 1425.15  18.404  1453.67  25.305  1393.12  26.817  430.384 3.7505 421.281 4.0605 9.103271       5.527583 
1 1 1 9  4  35 o 288.920 2.0692 654.551  9.3721  657.867  12.092  649.561  14.831  289.614 2.6634 287.733 3.2881 1.881714       4.231439 
1 1 1 9  4  36 o 350.563 2.5652 963.871  14.097  960.182  18.786  968.625  21.329  349.809 3.4257 351.291 3.8730 -1.482056      5.170613 
1 1 1 9  4  37 o 115.877 1.5543 105.273  2.8235  104.284  3.6823  106.684  4.3985  115.322 2.0368 116.632 2.4057 -1.310356      3.152115 
1 1 1 9  4  38 f 82.588  1.4988 53.476   1.9405  55.937   2.7229  50.935   2.7661  84.459  2.0565 80.593  2.1893 3.866432       3.003732 
1 1 1 9  4  39 o 402.515 3.0660 1271.19  19.347  1311.19  25.309  1214.94  30.009  408.669 3.9504 393.220 4.8682 15.44882       6.269339 
1 1 1 9  4  40 o 212.474 1.9904 354.014  6.6299  360.483  8.0480  340.355  11.695  214.385 2.3946 208.234 3.5826 6.151291       4.309246 
1 1 1 9  4  41 o 141.225 1.3781 156.365  3.0510  160.090  4.0375  151.407  4.6583  142.886 1.8025 138.947 2.1386 3.939255       2.796870 
1 1 1 9  4  42 o 183.455 1.5976 263.888  4.5946  264.508  6.1750  263.118  6.8773  183.648 2.1448 183.152 2.3952 0.4959106      3.215199 
1 1 1 9  4  43 o 364.132 2.6457 1040.24  15.102  1049.00  20.421  1029.67  22.438  365.526 3.5637 362.074 3.9530 3.451935       5.322230 
1 1 1 9  4  44 o 127.142 1.2433 126.734  2.4780  125.047  3.6729  128.144  3.3572  126.276 1.8554 127.836 1.6752 -1.559776      2.499795 
1 1 1 9  4  45 o 119.502 1.2230 111.962  2.2912  112.189  3.4305  111.779  3.0785  119.606 1.8296 119.393 1.6448 0.2132263      2.460233 
1 1 1 9  4  46 o 136.756 1.2646 146.632  2.7111  145.012  4.0246  147.979  3.6683  135.976 1.8880 137.367 1.7035 -1.391541      2.542901 
1 1 1 9  4  47 o 313.200 2.1042 769.521  10.331  767.426  15.306  771.274  14.002  312.621 3.1232 313.451 2.8495 -0.8297424     4.227772 
1 1 1 9  4  48 o 160.779 1.2938 202.691  3.2611  201.897  4.6686  203.447  4.5571  160.435 1.8563 161.053 1.8050 -0.6180420     2.589120 
1 1 1 9  4  49 o 100.581 1.1334 79.320   1.7871  75.928   2.5565  82.562   2.4990  98.390  1.6575 102.602 1.5537 -4.212013      2.271807 
1 1 1 9  4  50 o 138.484 1.2080 150.381  2.6225  150.344  3.7804  150.415  3.6411  138.438 1.7419 138.475 1.6773 -0.3704834E-01 2.418185 
1 1 1 9  4  51 o 87.568  1.2530 60.135   1.7201  60.894   2.4006  59.333   2.4659  88.100  1.7381 86.960  1.8088 1.139893       2.508593 
1 1 1 9  4  52 o 34.153  2.0868 9.1911   1.1120  8.8326   1.7186  9.4493   1.4584  33.339  3.3328 34.570  2.7127 -1.231071      4.297280 
1 1 1 9  4  53 o 61.187  1.1791 29.362   1.1310  29.801   1.4333  28.638   1.8412  61.632  1.4834 60.400  1.9446 1.232994       2.445782 
1 1 1 9  4  54 o 146.041 1.2598 167.294  2.8841  167.274  3.7847  167.320  4.4542  145.995 1.6536 145.980 1.9463 0.1425171E-01  2.553958 
1 1 1 9  4  55 o 106.652 1.4753 89.254   2.4667  92.668   3.5265  85.985   3.4515  108.615 2.0711 104.621 2.1044 3.993187       2.952641 
1 1 1 9  4  56 o 75.019  1.4539 44.164   1.7099  42.963   2.4686  45.272   2.3706  73.943  2.1296 75.916  1.9919 -1.972473      2.916008 
1 1 1 9  4  57 o 60.068  1.6842 28.330   1.5859  24.305   2.6560  30.561   1.9771  55.445  3.0676 62.365  2.0222 -6.919731      3.674196 
1 1 1 9  4  58 o 148.900 1.9210 174.201  4.4840  176.637  6.3603  171.795  6.3227  149.760 2.7091 147.687 2.7309 2.072311       3.846696 
1 1 1 9  4  59 o 96.550  1.7385 73.223   2.6314  70.348   3.8473  75.749   3.6070  94.513  2.5967 98.116  2.3451 -3.603600      3.498845 
1 1 1 9  4  60 o 63.111  1.6370 31.283   1.6196  30.235   2.1314  32.716   2.4916  61.995  2.1931 64.457  2.4658 -2.462307      3.299952 
1 1 1 9  4  61 o 67.506  1.6072 35.794   1.7008  37.253   2.3249  34.114   2.4947  68.812  2.1552 65.817  2.4179 2.994408       3.238976 
1 1 1 9  4  62 o 27.126  2.8012 5.8667   1.1740  5.1089   1.5728  6.8204   1.7644  25.028  4.1541 29.043  3.9800 -4.015400      5.752999 
1 1 1 9  4  63 f 85.726  1.5542 57.730   2.0887  59.172   2.8133  55.959   3.1178  86.717  2.0695 84.281  2.3597 2.435600       3.138614 
1 1 1 9  4  64 o 64.814  1.7212 33.022   1.7488  32.892   2.1974  33.247   2.8883  64.631  2.1687 64.874  2.8400 -0.2421570     3.573375 
1 1 1 9  4  65 o 42.760  1.9607 14.389   1.3144  14.611   1.7668  14.114   1.9668  42.940  2.6375 42.133  2.9972 0.8065147      3.992397 
1 1 1 9  4  66 o 35.470  2.0001 9.9373   1.1076  9.2258   1.5863  10.614   1.5472  34.005  3.0067 36.547  2.7199 -2.541988      4.054405 
1 1 1 9  4  67 o 53.151  1.4039 22.197   1.1698  21.835   1.5273  22.711   1.8195  52.669  1.8498 53.672  2.1624 -1.003803      2.845663 
1 1 1 9  4  68 o 68.697  1.1388 37.056   1.2265  37.331   1.7767  36.806   1.6951  68.886  1.6452 68.409  1.5807 0.4768982      2.281517 
1 1 1 9  4  69 o 42.190  2.5151 14.132   1.6559  16.701   2.4207  11.873   2.2702  45.646  3.4075 38.324  3.8299 7.321922       5.126327 
1 1 1 9  4  70 o 37.346  2.7409 11.124   1.5935  12.230   2.2425  9.9962   2.2646  38.895  3.7234 34.975  4.2152 3.919712       5.624176 
1 1 1 9  4  71 o 35.333  2.6098 9.9583   1.4354  7.0429   2.1065  12.485   1.9611  29.040  4.7943 39.423  3.2009 -10.38261      5.764666 
1 1 1 9  4  72 o 24.977  3.5007 5.0994   1.3331  4.7763   2.0039  5.3559   1.7854  23.539  5.5252 25.233  4.6860 -1.693203      7.244780 
1 1 1 9  4  73 o 31.388  2.8447 7.9219   1.3845  8.7612   2.4582  7.5319   1.6756  32.219  5.0313 30.374  3.5882 1.844967       6.179807 
1 1 1 9  4  74 o 10.670  4.4095 0.3408   1.1994  1.0325   2.0600  -0.0139  1.4753  14.536  5.8639 10.939  4.7202 3.596432       7.527640 
1 1 1 9  4  75 o 14.284  5.0567 1.5492   1.4159  -0.9317  3.7482  1.9622   1.5292  15.729  7.1115 15.585  5.2677 0.1438761      8.849972 
1 1 1 9  4  76 o 26.735  3.1672 5.8366   1.3016  7.1552   2.2199  5.1458   1.6068  28.817  5.1008 24.667  4.3123 4.149750       6.679310 
1 1 1 9  4  77 f 13.224  4.6673 1.3294   1.2053  -0.0996  1.9781  2.1732   1.5201  12.316  5.3879 16.091  5.2468 -3.774714      7.520496 
1 1 1 9  4  78 o 42.587  2.4234 14.526   1.6112  14.540   3.2342  14.521   1.8582  41.147  5.1249 42.426  2.8098 -1.278778      5.844623 
1 1 1 9  4  79 o 33.323  2.8505 8.9987   1.4748  8.4420   2.9261  9.1883   1.7075  30.436  6.3385 33.495  3.2945 -3.058767      7.143577 
1 1 1 9  4  80 o 38.719  2.5571 12.070   1.5434  12.535   3.1453  11.922   1.7712  37.785  5.4689 38.304  2.9731 -0.5183105     6.224823 
1 1 1 9  4  81 o 23.858  3.7295 4.7894   1.3493  4.4214   2.8611  4.8947   1.5301  21.587  7.2058 23.899  4.2392 -2.312202      8.360271 
1 1 1 9  4  82 o 12.122  5.2796 0.0872   1.8806  -0.0581  2.7576  0.2134   2.5714  14.060  6.2471 13.993  6.1316 0.6764030E-01  8.753461 
1 1 1 9  4  83 o 28.327  4.7902 7.0815   2.0513  7.1250   2.8049  7.0314   3.0077  27.063  6.6572 26.523  7.0951 0.5406017      9.729225 
1 1 1 9  5  0  o 643.413 5.0586 3246.51  51.017  3246.51  51.017  3246.51  51.017  643.413 5.0586 643.413 5.0586 0.000000       0.000000 
1 1 1 9  5  1  o 722.437 4.0012 4092.58  45.315  4031.73  63.029  4157.70  65.196  716.907 5.6082 728.010 5.7125 -11.10303      8.005338 
1 1 1 9  5  2  o 451.272 2.5682 1596.51  18.168  1591.25  25.605  1601.85  25.783  450.490 3.6257 451.988 3.6388 -1.497681      5.136780 
1 1 1 9  5  3  o 209.921 1.3999 345.427  4.6069  338.597  6.4003  352.772  6.6365  207.830 1.9644 212.135 1.9956 -4.305389      2.800258 
1 1 1 9  5  4  o 387.796 2.3297 1178.94  14.163  1189.91  21.032  1169.83  19.159  389.565 3.4438 386.272 3.1639 3.292908       4.676532 
1 1 1 9  5  5  o 204.606 1.3765 328.156  4.4151  320.327  6.1141  336.686  6.3823  202.146 1.9294 207.243 1.9645 -5.097214      2.753457 
1 1 1 9  5  6  o 322.693 1.9182 816.290  9.7038  822.997  13.831  809.789  13.618  324.001 2.7231 321.391 2.7028 2.609985       3.836735 
1 1 1 9  5  7  o 387.088 2.2392 1174.63  13.588  1179.51  19.287  1169.81  19.146  387.867 3.1720 386.269 3.1618 1.597229       4.478684 
1 1 1 9  5  8  o 420.977 2.4131 1389.33  15.925  1377.75  22.327  1401.33  22.722  419.186 3.3976 422.758 3.4285 -3.571320      4.826824 
1 1 1 9  5  9  o 373.984 2.2555 1096.45  13.224  1084.63  17.832  1110.90  19.712  371.941 3.0582 376.409 3.3405 -4.467834      4.528926 
1 1 1 9  5  10 o 362.157 2.1143 1028.18  12.004  1012.85  16.725  1044.46  17.238  359.426 2.9682 364.990 3.0127 -5.564301      4.229257 
1 1 1 9  5  11 o 195.572 1.3392 299.820  4.1058  301.227  5.8120  298.418  5.8009  196.026 1.8913 195.110 1.8966 0.9161377      2.678419 
1 1 1 9  5  12 o 103.162 1.1045 83.421   1.7862  81.872   2.4857  85.076   2.5686  102.198 1.5515 104.178 1.5728 -1.980003      2.209243 
1 1 1 9  5  13 o 611.659 3.5395 2933.61  33.939  2963.90  46.728  2899.79  49.376  614.709 4.8490 607.997 5.1804 6.713013       7.095762 
1 1 1 9  5  14 o 160.783 1.2651 202.640  3.1887  208.242  4.7554  198.063  4.2982  162.986 1.8612 158.954 1.7249 4.032303       2.537552 
1 1 1 9  5  15 o 346.922 2.2087 943.528  12.012  924.587  16.656  964.056  17.340  343.397 3.0940 350.648 3.1544 -7.250763      4.418498 
1 1 1 9  5  16 o 349.011 2.1313 954.921  11.661  949.620  15.777  961.302  17.311  348.020 2.8918 350.145 3.1537 -2.124878      4.278852 
1 1 1 9  5  17 o 153.507 1.2398 184.714  2.9835  184.495  4.0454  184.976  4.4179  153.412 1.6821 153.611 1.8346 -0.1986237     2.488999 
1 1 1 9  5  18 o 54.994  1.3840 23.708   1.1932  23.337   1.5350  24.273   1.8966  54.562  1.7945 55.643  2.1742 -1.081364      2.819162 
1 1 1 9  5  19 o 528.825 3.2143 2192.89  26.647  2220.74  38.140  2166.34  37.246  532.065 4.5726 525.513 4.5211 6.552246       6.430313 
1 1 1 9  5  20 o 132.851 1.2833 138.350  2.6726  137.664  3.9249  138.943  3.6494  132.516 1.8893 133.131 1.7486 -0.6154785     2.574319 
1 1 1 9  5  21 o 288.213 1.8966 651.207  8.5693  651.722  12.079  650.685  12.159  288.305 2.6726 288.075 2.6923 0.2301025      3.793609 
1 1 1 9  5  22 o 349.221 2.2180 956.146  12.143  942.374  16.883  970.905  17.477  346.658 3.1067 351.863 3.1684 -5.205353      4.437392 
1 1 1 9  5  23 o 101.760 1.1618 81.172   1.8534  80.707   2.5913  81.659   2.6521  101.465 1.6291 102.061 1.6576 -0.5959167     2.324128 
1 1 1 9  5  24 o 301.692 2.0501 713.595  9.6962  721.487  13.225  704.423  14.258  303.326 2.7812 299.706 3.0347 3.620514       4.116351 
1 1 1 9  5  25 o 201.140 1.4712 317.159  4.6389  315.946  6.0132  318.943  7.2904  200.746 1.9108 201.686 2.3058 -0.9399109     2.994612 
1 1 1 9  5  26 o 223.982 1.6378 393.302  5.7507  408.330  8.7080  381.678  7.6583  228.198 2.4342 220.632 2.2142 7.565979       3.290554 
1 1 1 9  5  27 o 430.759 2.7779 1455.19  18.758  1452.84  25.329  1458.05  27.917  430.316 3.7547 431.045 4.1313 -0.7282104     5.582585 
1 1 1 9  5  28 o 275.763 1.9040 596.229  8.2312  600.775  11.198  590.884  12.141  276.782 2.5807 274.481 2.8215 2.301086       3.823695 
1 1 1 9  5  29 o 73.707  1.2770 42.588   1.4756  40.423   1.8646  46.216   2.4135  71.806  1.6565 76.775  2.0053 -4.969215      2.600990 
1 1 1 9  5  30 o 241.496 1.8960 457.265  7.1779  456.575  8.7983  458.638  12.412  241.296 2.3259 241.789 3.2746 -0.4932098     4.016596 
1 1 1 9  5  31 o 190.088 1.7116 283.297  5.1004  286.464  5.9768  274.811  9.7835  191.139 1.9946 187.156 3.3346 3.983978       3.885599 
1 1 1 9  5  32 o 92.044  1.2422 66.416   1.7925  65.684   2.1551  68.060   3.2285  91.532  1.5019 93.163  2.2106 -1.630547      2.672534 
1 1 1 9  5  33 o 150.172 1.3217 176.794  3.1114  171.916  3.8237  186.355  5.3528  148.079 1.6472 154.157 2.2150 -6.077713      2.760299 
1 1 1 9  5  34 o 82.587  1.3613 53.471   1.7625  51.805   2.3330  55.685   2.6900  81.284  1.8308 84.270  2.0362 -2.985863      2.738246 
1 1 1 9  5  35 o 258.083 2.0072 522.285  8.1207  519.880  10.840  525.360  12.259  257.449 2.6859 258.779 3.0219 -1.329742      4.042998 
1 1 1 9  5  36 o 149.383 1.4709 174.951  3.4446  174.684  4.6273  175.284  5.1586  149.256 1.9776 149.505 2.2010 -0.2493744     2.958968 
1 1 1 9  5  37 o 347.831 2.5525 948.965  13.918  950.995  20.879  947.341  18.672  348.058 3.8265 347.440 3.4281 0.6178894      5.137565 
1 1 1 9  5  38 o 323.248 2.4013 819.529  12.169  821.268  18.236  818.134  16.338  323.467 3.5963 322.892 3.2277 0.5743103      4.832284 
1 1 1 9  5  39 o 230.502 1.9791 416.644  7.1515  417.719  10.041  415.537  10.188  230.750 2.7758 230.143 2.8238 0.6071014      3.959652 
1 1 1 9  5  40 o 181.561 1.7185 258.476  4.8914  256.764  6.7860  260.327  7.0568  180.929 2.3925 182.176 2.4709 -1.246796      3.439426 
1 1 1 9  5  41 f 68.261  1.5481 36.534   1.6566  37.592   2.4810  35.683   2.2254  69.230  2.2861 67.452  2.1045 1.777634       3.107275 
1 1 1 9  5  42 o 74.145  1.4396 43.103   1.6734  44.620   2.6188  42.057   2.1754  75.424  2.2149 73.232  1.8949 2.191765       2.914814 
1 1 1 9  5  43 f 64.390  1.5060 32.509   1.5202  32.815   2.3657  32.294   1.9841  64.677  2.3332 64.169  1.9723 0.5082779      3.055170 
1 1 1 9  5  44 o 73.311  1.4360 42.140   1.6503  41.511   2.5584  42.589   2.1597  72.744  2.2434 73.692  1.8695 -0.9480057     2.920294 
1 1 1 9  5  45 o 118.158 1.2469 109.463  2.3096  111.470  3.2101  107.310  3.3257  119.222 1.7175 116.973 1.8136 2.249214       2.497808 
1 1 1 9  5  46 o 51.504  1.4949 20.801   1.2070  22.049   1.6961  19.521   1.7180  53.016  2.0408 49.881  2.1971 3.135403       2.998665 
1 1 1 9  5  47 o 215.804 1.6873 365.263  5.7084  366.413  7.4302  363.606  8.9176  216.098 2.1933 215.219 2.6431 0.8793640      3.434609 
1 1 1 9  5  48 o 51.025  1.5256 20.419   1.2203  20.451   1.6357  20.379   1.8326  51.054  2.0438 50.957  2.2941 0.9692383E-01  3.072414 
1 1 1 9  5  49 o 148.665 1.3827 173.330  3.2224  174.705  4.2277  171.424  4.9780  149.226 1.8072 147.790 2.1486 1.435532       2.807575 
1 1 1 9  5  50 o 218.090 1.6124 373.125  5.5126  379.826  7.6546  365.904  7.9455  219.959 2.2199 215.870 2.3479 4.088974       3.231147 
1 1 1 9  5  51 o 47.072  1.5242 17.383   1.1247  17.390   1.4988  17.374   1.7016  47.067  2.0313 47.034  2.3078 0.3223801E-01  3.074465 
1 1 1 9  5  52 o 113.356 1.1449 100.773  2.0346  99.565   2.9069  101.934  2.8487  112.642 1.6462 113.979 1.5943 -1.336250      2.291651 
1 1 1 9  5  53 o 116.453 1.1429 106.361  2.0864  107.366  3.0165  105.439  2.8890  116.964 1.6451 115.915 1.5899 1.049797       2.287795 
1 1 1 9  5  54 f 77.135  1.2282 46.673   1.4852  46.509   1.9283  46.911   2.3288  76.979  1.5979 77.289  1.9220 -0.3100128     2.499432 
1 1 1 9  5  55 o 50.114  1.2664 19.703   0.9949  19.755   1.1345  19.532   2.0704  50.173  1.4423 49.750  2.6643 0.4236603      3.029697 
1 1 1 9  5  56 o 67.259  1.5826 35.512   1.6687  32.372   2.8930  37.078   2.0428  64.103  2.8789 68.703  1.8967 -4.599709      3.447500 
1 1 1 9  5  57 o 48.333  1.5840 18.341   1.2002  18.411   1.7646  18.281   1.6372  48.379  2.3267 48.218  2.1660 0.1608810      3.178788 
1 1 1 9  5  58 o 92.427  1.2560 67.036   1.8199  67.692   2.5564  66.362   2.5914  92.828  1.7567 91.907  1.7986 0.9211731      2.514162 
1 1 1 9  5  59 f 62.422  1.4286 30.590   1.3980  28.371   2.1371  32.249   1.8483  60.045  2.2704 64.060  1.8405 -4.015217      2.922672 
1 1 1 9  5  60 o 27.047  2.3975 5.8053   1.0060  6.4617   1.6001  5.3762   1.2937  28.325  3.6912 25.879  3.2614 2.446142       4.925560 
1 1 1 9  5  61 o 63.416  1.3631 31.573   1.3552  31.247   2.2194  31.767   1.7112  63.001  2.2472 63.580  1.7168 -0.5793228     2.827945 
1 1 1 9  5  62 o 27.131  2.6959 5.8644   1.1315  8.3498   1.5432  2.9747   1.6640  32.355  3.0795 18.972  5.3587 13.38323       6.180543 
1 1 1 9  5  63 o 64.506  1.6076 32.697   1.6256  30.109   1.9031  39.682   3.1263  61.862  1.9624 70.878  2.8136 -9.016441      3.430382 
1 1 1 9  5  64 o 77.793  1.5450 47.555   1.8842  47.007   2.2222  48.956   3.5543  77.304  1.8337 78.687  2.8814 -1.382835      3.415369 
1 1 1 9  5  65 o 34.797  2.0954 9.5725   1.1377  11.769   1.4997  6.5947   1.7463  38.533  2.4961 28.480  4.0234 10.05293       4.734788 
1 1 1 9  5  66 o 28.760  2.4310 6.5764   1.0858  6.8596   1.4263  6.1861   1.6746  29.238  3.1621 27.554  3.9930 1.683893       5.093439 
1 1 1 9  5  67 o 40.086  1.8058 12.651   1.1348  13.465   1.5921  11.811   1.6178  41.203  2.4764 38.536  2.6949 2.666359       3.659928 
1 1 1 9  5  68 o 21.276  2.9626 3.6607   0.9613  2.8281   1.3106  4.6304   1.4144  18.359  4.5712 23.739  3.9388 -5.379538      6.034014 
1 1 1 9  5  69 o 49.987  1.3382 19.643   1.0487  19.798   1.2878  19.338   1.8067  50.147  1.6382 49.450  2.3306 0.6970329      2.848730 
1 1 1 9  5  70 o 35.151  2.1812 9.8050   1.1960  9.3261   1.9636  10.087   1.5081  33.871  3.7615 35.535  2.7279 -1.664043      4.646540 
1 1 1 9  5  71 o 24.233  2.8015 4.7341   1.0446  4.7539   1.8039  4.7240   1.2813  23.636  5.0233 24.024  3.5055 -0.3879795     6.125587 
1 1 1 9  5  72 o 38.389  2.3968 11.742   1.4352  11.830   1.9932  11.646   2.0683  38.239  3.3590 37.880  3.5234 0.3595963      4.867954 
1 1 1 9  5  73 f 15.205  4.7260 1.9187   1.2456  1.3635   1.7039  2.5560   1.8254  14.422  5.4717 17.519  5.7513 -3.097028      7.938365 
1 1 1 9  5  74 o 18.695  4.4032 2.9877   1.2692  3.8135   1.7280  2.0201   1.8703  20.905  5.2731 16.184  5.8030 4.721390       7.840971 
1 1 1 9  5  75 o 17.626  5.0072 2.6867   1.4485  4.7842   2.2741  1.2546   1.8790  23.058  6.1699 14.463  5.6768 8.594108       8.384107 
1 1 1 9  5  76 o 17.844  5.2646 2.7719   1.5736  5.1769   2.7646  1.6193   1.9139  23.623  6.9804 15.255  5.7964 8.368333       9.073298 
1 1 1 9  5  77 o 10.644  4.4503 0.2959   1.2423  1.5570   1.9245  -0.6049  1.6266  15.102  5.7947 10.433  4.7038 4.669556       7.463538 
1 1 1 9  5  78 o 37.992  2.5130 11.599   1.4883  12.725   2.4381  10.931   1.8789  39.068  4.0391 36.546  3.3157 2.522427       5.225714 
1 1 1 9  5  79 o 22.844  4.6659 4.5329   1.6145  5.5376   4.2867  4.3669   1.7428  23.782  8.7477 22.221  5.1097 1.560543       10.13071 
1 1 1 9  5  80 o 19.538  5.0995 3.4015   1.5786  2.4565   4.3664  3.5436   1.6931  19.595  8.2764 19.867  5.3270 -0.2721424     9.842557 
1 1 1 9  5  81 o 22.660  4.9557 4.5654   1.7114  -1.2797  4.2763  5.6801   1.8674  15.787  7.3069 25.391  4.8686 -9.603795      8.780378 
1 1 1 9  5  82 o 10.513  4.7728 -0.6293  1.7090  -3.5576  2.8407  1.0315   2.1394  11.047  5.3467 14.192  5.8789 -3.145237      7.946614 
1 1 1 9  6  0  f 72.117  1.8524 40.848   2.0911  40.848   2.0911  40.848   2.0911  72.117  1.8524 72.117  1.8524 0.000000       0.000000 
1 1 1 9  6  1  o 219.668 1.4551 378.253  5.0110  382.902  7.1491  373.762  7.0256  221.007 2.0634 218.353 2.0524 2.653534       2.910381 
1 1 1 9  6  2  o 396.583 2.2971 1232.99  14.281  1216.77  19.935  1250.09  20.469  393.937 3.2280 399.293 3.2700 -5.356049      4.594867 
1 1 1 9  6  3  o 264.923 1.6520 550.172  6.8610  546.976  9.6480  553.443  9.7587  264.142 2.3299 265.699 2.3429 -1.556763      3.304182 
1 1 1 9  6  4  o 204.742 1.4478 328.596  4.6468  336.802  6.4347  319.653  6.7176  207.277 1.9803 201.929 2.1221 5.347488       2.902529 
1 1 1 9  6  5  o 300.246 1.8195 706.677  8.5642  718.709  12.287  695.307  11.944  302.776 2.5886 297.807 2.5583 4.969421       3.639437 
1 1 1 9  6  6  o 198.342 1.3650 308.374  4.2442  303.224  5.9118  313.851  6.0969  196.674 1.9174 200.090 1.9437 -3.416367      2.730305 
1 1 1 9  6  7  o 98.365  1.1240 75.844   1.7332  78.222   2.4752  73.557   2.4278  99.893  1.5806 96.869  1.5987 3.024323       2.248157 
1 1 1 9  6  8  o 222.576 1.4628 388.336  5.1039  390.612  7.2408  386.088  7.1955  223.220 2.0692 221.923 2.0683 1.296387       2.925624 
1 1 1 9  6  9  o 124.610 1.1408 121.716  2.2286  120.350  3.1296  123.122  3.1743  123.906 1.6112 125.325 1.6157 -1.419197      2.281702 
1 1 1 9  6  10 o 630.173 3.6467 3114.06  36.026  3155.98  53.737  3079.84  48.553  634.239 5.4047 626.590 4.9429 7.648926       7.324097 
1 1 1 9  6  11 o 293.829 1.8549 676.805  8.5442  658.253  12.260  694.325  11.914  289.756 2.6990 297.593 2.5538 -7.837189      3.715691 
1 1 1 9  6  12 o 341.142 2.0960 912.343  11.209  912.173  16.466  912.490  15.302  341.081 3.0794 341.148 2.8612 -0.6686401E-01 4.203539 
1 1 1 9  6  13 o 235.131 1.6400 433.396  6.0451  424.819  9.1622  440.008  8.0445  232.778 2.5107 236.910 2.1660 -4.131470      3.315938 
1 1 1 9  6  14 o 204.388 1.4396 327.467  4.6128  320.482  6.6557  333.923  6.3989  202.188 2.0998 206.386 1.9777 -4.198303      2.884570 
1 1 1 9  6  15 o 338.985 2.0814 900.857  11.061  909.209  16.399  893.885  14.983  340.520 3.0719 337.647 2.8306 2.872711       4.177186 
1 1 1 9  6  16 o 444.909 2.7461 1552.02  19.154  1535.15  26.761  1569.74  27.426  442.420 3.8584 447.373 3.9106 -4.952881      5.493606 
1 1 1 9  6  17 f 347.283 2.1233 945.527  11.560  953.229  17.123  939.078  15.669  348.656 3.1329 346.069 2.8882 2.586975       4.261071 
1 1 1 9  6  18 o 39.975  1.6967 12.527   1.0633  13.634   1.4990  11.407   1.5084  41.637  2.3056 38.058  2.5429 3.578701       3.432466 
1 1 1 9  6  19 o 297.093 2.2409 692.013  10.437  686.293  15.491  696.768  14.123  295.819 3.3405 298.083 3.0223 -2.263367      4.504801 
1 1 1 9  6  20 o 96.960  1.2805 73.696   1.9463  75.029   2.7405  72.339   2.7647  97.829  1.7869 96.059  1.8360 1.770439       2.562005 
1 1 1 9  6  21 o 279.470 2.0287 612.339  8.8881  605.829  12.377  619.271  12.771  277.950 2.8405 281.014 2.8990 -3.064148      4.058714 
1 1 1 9  6  22 o 63.164  1.4901 31.277   1.4755  31.818   1.8699  30.384   2.4020  63.706  1.8724 62.249  2.4615 1.456436       3.092664 
1 1 1 9  6  23 o 122.100 1.4336 116.871  2.7441  117.751  3.4909  115.449  4.4394  122.553 1.8170 121.341 2.3338 1.211777       2.957700 
1 1 1 9  6  24 o 150.951 1.5441 178.635  3.6539  178.667  4.6281  178.582  5.9533  150.957 1.9557 150.909 2.5164 0.4840088E-01  3.187026 
1 1 1 9  6  25 o 180.873 1.7017 256.484  4.8251  251.440  5.9957  265.754  8.1283  179.075 2.1358 184.079 2.8167 -5.004471      3.534874 
1 1 1 9  6  26 o 75.023  1.5685 44.126   1.8448  42.848   2.7104  45.229   2.5180  73.920  2.3389 75.949  2.1148 -2.028709      3.153270 
1 1 1 9  6  27 o 110.843 1.4334 96.319   2.4908  94.478   3.4472  98.330   3.6029  109.771 2.0032 111.985 2.0523 -2.214241      2.867879 
1 1 1 9  6  28 o 199.907 1.6998 313.317  5.3269  313.252  7.9104  313.372  7.2055  199.858 2.5248 199.905 2.2993 -0.4719543E-01 3.414843 
1 1 1 9  6  29 o 66.167  1.4381 34.322   1.4917  32.786   1.9239  36.639   2.3619  64.664  1.8979 68.354  2.2042 -3.690445      2.908643 
1 1 1 9  6  30 o 154.335 1.4885 186.740  3.6013  181.216  4.7242  194.404  5.5645  152.023 1.9823 157.450 2.2544 -5.426483      3.001943 
1 1 1 9  6  31 o 75.239  1.4480 44.380   1.7079  43.068   2.3244  45.920   2.5177  74.111  2.0007 76.525  2.0987 -2.413406      2.899559 
1 1 1 9  6  32 o 36.892  1.9897 10.703   1.1465  12.726   1.5531  8.2805   1.6995  40.206  2.4761 32.306  3.4071 7.900063       4.211866 
1 1 1 9  6  33 o 307.715 2.1989 742.544  10.608  755.371  13.923  724.798  16.376  310.311 2.8621 303.914 3.4372 6.397614       4.472828 
1 1 1 9  6  34 o 139.004 1.4610 151.486  3.1837  152.525  4.3501  150.287  4.6720  139.467 1.9896 138.436 2.1528 1.031296       2.931413 
1 1 1 9  6  35 o 267.722 1.9726 562.039  8.2788  557.777  10.616  568.654  13.225  266.670 2.5394 269.211 3.1338 -2.540710      4.033502 
1 1 1 9  6  36 o 152.862 1.4302 183.196  3.4272  180.114  4.3897  188.008  5.4850  151.559 1.8475 154.831 2.2598 -3.271759      2.918901 
1 1 1 9  6  37 o 228.797 1.6917 410.455  6.0679  407.668  8.1604  413.901  9.0747  227.989 2.2832 229.711 2.5200 -1.721558      3.400488 
1 1 1 9  6  38 o 87.473  1.2938 59.987   1.7741  63.441   2.4521  56.192   2.5701  89.949  1.7389 84.651  1.9367 5.298439       2.602813 
1 1 1 9  6  39 o 338.289 2.2678 897.592  12.027  893.844  16.216  902.173  17.929  337.492 3.0650 339.019 3.3735 -1.526672      4.557926 
1 1 1 9  6  40 o 46.866  1.6223 17.222   1.1919  17.425   1.6929  17.023   1.6784  47.133  2.2911 46.585  2.2982 0.5476532      3.245112 
1 1 1 9  6  41 o 29.485  2.3014 6.8610   1.0553  5.9512   1.4957  7.7630   1.4893  27.297  3.5816 31.299  3.0749 -4.002361      4.720507 
1 1 1 9  6  42 o 116.629 1.2282 106.645  2.2457  109.978  3.2282  103.520  3.1260  118.424 1.7389 114.895 1.7355 3.529320       2.456765 
1 1 1 9  6  43 o 178.521 1.4776 249.898  4.1353  256.175  5.6738  242.785  6.0398  180.722 2.0027 175.924 2.1900 4.797958       2.967602 
1 1 1 9  6  44 o 233.171 1.7196 426.390  6.2858  433.555  8.5957  418.156  9.2155  235.069 2.3326 230.834 2.5466 4.234375       3.453429 
1 1 1 9  6  45 o 72.867  1.4553 41.636   1.6624  40.974   2.3421  42.309   2.3600  72.270  2.0673 73.438  2.0500 -1.167809      2.911336 
1 1 1 9  6  46 o 56.755  1.4822 25.261   1.3188  22.503   1.9743  27.482   1.7721  53.547  2.3520 59.188  1.9098 -5.641212      3.029695 
1 1 1 9  6  47 f 78.574  1.2952 48.414   1.5955  51.766   2.5143  46.155   2.0643  81.225  1.9745 76.707  1.7167 4.518875       2.616457 
1 1 1 9  6  48 o 132.831 1.2405 138.362  2.5832  135.370  3.6260  141.446  3.6809  131.357 1.7609 134.273 1.7487 -2.916290      2.481647 
1 1 1 9  6  49 o 156.731 1.3051 192.654  3.2065  193.861  4.5815  191.496  4.4894  157.175 1.8594 156.216 1.8332 0.9594116      2.611110 
1 1 1 9  6  50 o 49.068  1.4084 18.886   1.0834  19.728   1.5858  18.149   1.4835  50.130  2.0179 48.084  1.9680 2.046177       2.818688 
1 1 1 9  6  51 o 76.008  1.2542 45.314   1.4944  46.031   2.3394  44.819   1.9425  76.571  1.9489 75.574  1.6396 0.9973755      2.546817 
1 1 1 9  6  52 o 65.661  1.2003 33.817   1.2355  33.464   1.7951  34.134   1.7031  65.292  1.7538 65.948  1.6473 -0.6563797     2.406116 
1 1 1 9  6  53 o 38.308  1.6160 11.519   0.9705  9.1167   1.3299  14.255   1.4194  33.955  2.5164 42.595  2.1256 -8.639492      3.293987 
1 1 1 9  6  54 o 51.487  1.3998 20.802   1.1298  19.707   1.4937  22.266   1.7273  50.089  1.9022 53.232  2.0698 -3.142807      2.811162 
1 1 1 9  6  55 o 9.6907  3.4686 0.6288   0.6679  -0.1502  1.0540  1.1516   0.8634  9.1613  3.9712 12.239  3.9515 -3.078106      5.602219 
1 1 1 9  6  56 o 80.892  1.2235 51.342   1.5516  50.415   2.0028  52.733   2.4536  80.130  1.5944 81.921  1.9106 -1.790428      2.488435 
1 1 1 9  6  57 o 74.522  1.3830 43.592   1.6157  43.323   2.3268  43.842   2.2453  74.236  1.9993 74.688  1.9176 -0.4523849     2.770316 
1 1 1 9  6  58 o 96.318  1.3372 72.818   2.0191  69.917   2.8482  75.749   2.8628  94.309  1.9265 98.173  1.8601 -3.864227      2.677981 
1 1 1 9  6  59 o 39.428  1.8212 12.219   1.1257  12.031   1.6235  12.393   1.5622  38.972  2.6735 39.578  2.5311 -0.6067810     3.681576 
1 1 1 9  6  60 o 64.335  1.4918 32.506   1.5046  34.503   2.1179  30.472   2.1379  66.225  2.0400 62.219  2.1918 4.005672       2.994261 
1 1 1 9  6  61 o 84.624  1.4515 56.242   1.9256  53.867   3.0204  57.868   2.4994  82.690  2.3300 85.784  1.8585 -3.094742      2.980489 
1 1 1 9  6  62 o 60.916  1.5127 29.152   1.4446  29.525   2.2742  28.901   1.8704  61.202  2.3703 60.605  1.9686 0.5976219      3.081181 
1 1 1 9  6  63 o 26.328  2.3438 5.5075   0.9572  5.9812   1.4296  5.1226   1.2888  27.248  3.4222 25.201  3.3448 2.046581       4.785360 
1 1 1 9  6  64 o 27.750  2.0796 6.0998   0.8981  4.5909   1.3928  7.1737   1.1750  23.703  3.8826 30.039  2.5184 -6.336189      4.627894 
1 1 1 9  6  65 o 39.988  2.0194 12.630   1.2619  11.017   1.5713  15.559   2.1177  37.223  2.7114 44.189  3.0762 -6.965813      4.100518 
1 1 1 9  6  66 o 90.219  1.5046 63.999   2.1280  63.007   2.5818  66.099   3.7581  89.449  1.8412 91.400  2.6228 -1.950966      3.204555 
1 1 1 9  6  67 o 21.772  3.2659 3.8544   1.0803  5.2018   1.3986  1.8616   1.7010  25.268  3.6355 15.824  5.5478 9.444105       6.632879 
1 1 1 9  6  68 o 22.538  3.4152 4.1440   1.1688  3.5543   1.3521  5.8879   2.3252  20.617  4.3215 26.221  5.8096 -5.603981      7.240588 
1 1 1 9  6  69 o 69.711  1.4537 38.238   1.5886  36.959   1.9853  40.515   2.6488  68.454  1.8500 71.532  2.3621 -3.077789      3.000338 
1 1 1 9  6  70 o 27.991  3.1315 6.3350   1.3506  3.9917   1.9901  8.3356   1.8388  21.479  5.7822 31.966  3.7402 -10.48694      6.886407 
1 1 1 9  6  71 o 18.202  4.3055 2.8058   1.2093  4.5999   1.8763  1.5308   1.5817  23.098  5.2948 14.622  5.3235 8.476049       7.508348 
1 1 1 9  6  72 o 7.4139  3.5144 -1.2532  1.0943  -1.8594  1.7787  -0.8841  1.3880  9.5363  4.5087 9.2101  4.2265 0.3261881      6.179973 
1 1 1 9  6  73 o 8.0381  3.7084 -0.7845  1.0884  0.7619   1.7876  -1.6955  1.3721  13.308  5.4280 8.1131  3.8711 5.195169       6.667010 
1 1 1 9  6  74 o 37.861  2.0880 11.411   1.2345  8.4630   1.9940  13.243   1.5720  31.878  4.0839 40.673  2.4773 -8.794493      4.776558 
1 1 1 9  6  75 o 46.486  2.2398 17.200   1.6322  16.526   2.2184  17.995   2.4102  45.131  3.1553 47.035  3.2895 -1.903275      4.558170 
1 1 1 9  6  76 o 23.465  4.5813 4.7383   1.6248  1.0584   2.4592  7.5891   2.1645  15.226  6.3048 29.730  4.8084 -14.50359      7.929102 
1 1 1 9  6  77 o 25.602  3.7046 5.4690   1.4437  3.3667   1.9283  8.1506   2.1777  19.399  5.8524 30.878  4.6425 -11.47941      7.470227 
1 1 1 9  6  78 o 82.692  2.0501 54.394   2.6577  54.965   3.1541  52.998   4.9352  82.881  2.4275 80.071  3.9316 2.810356       4.620668 
1 1 1 9  6  79 o 18.020  5.4821 2.8938   1.6868  0.4474   2.9867  4.0396   2.0440  15.252  6.6477 20.982  5.9437 -5.730030      8.917354 
1 1 1 9  6  80 o 9.0761  4.2278 -1.1119  1.4673  0.5360   2.8410  -1.7115  1.7136  14.974  6.5054 9.2930  4.4031 5.681231       7.855409 
1 1 1 9  6  81 o 19.378  5.0323 3.3938   1.5423  6.0607   3.0839  2.5043   1.7811  24.435  7.4078 16.812  5.6850 7.623268       9.337790 
1 1 1 9  6  82 o 25.494  4.0510 5.6117   1.5649  6.9464   3.1483  5.1737   1.8034  25.867  7.3936 23.926  4.9706 1.941126       8.909155 
1 1 1 9  7  0  o 235.254 2.3309 433.975  8.5946  433.975  8.5946  433.975  8.5946  235.254 2.3309 235.254 2.3309 0.000000       0.000000 
1 1 1 9  7  1  o 459.367 2.8303 1654.48  20.382  1664.02  28.977  1645.14  28.674  460.626 4.0128 458.007 3.9936 2.619110       5.661405 
1 1 1 9  7  2  f 187.377 1.5078 275.227  4.4290  271.430  6.5333  278.456  6.0246  186.072 2.2397 188.467 2.0391 -2.395477      3.028926 
1 1 1 9  7  3  o 349.017 2.2248 954.972  12.173  955.650  17.214  954.294  17.216  349.111 3.1454 348.863 3.1479 0.2478943      4.450001 
1 1 1 9  7  4  o 256.802 1.8279 516.976  7.3587  523.287  10.086  509.792  10.760  258.352 2.4904 254.994 2.6917 3.357651       3.667056 
1 1 1 9  7  5  o 289.431 1.9132 656.703  8.6810  659.532  12.313  653.907  12.241  290.035 2.7081 288.795 2.7038 1.239258       3.826733 
1 1 1 9  7  6  o 60.876  1.3778 29.050   1.3149  29.586   1.8727  28.528   1.8465  61.433  1.9446 60.325  1.9526 1.108067       2.755703 
1 1 1 9  7  7  o 159.902 1.3287 200.430  3.3308  202.831  4.7512  198.108  4.6707  160.852 1.8842 158.969 1.8742 1.883667       2.657588 
1 1 1 9  7  8  o 395.862 2.5836 1228.63  16.033  1228.24  23.744  1228.95  21.737  395.741 3.8273 395.874 3.5026 -0.1332703     5.188109 
1 1 1 9  7  9  o 130.043 1.2456 132.563  2.5393  132.827  3.5934  132.300  3.5887  130.169 1.7609 129.910 1.7621 0.2586975      2.491200 
1 1 1 9  7  10 o 109.550 1.2116 94.075   2.0808  94.798   2.9371  93.347   2.9484  109.967 1.7038 109.122 1.7235 0.8449936      2.423486 
1 1 1 9  7  11 o 101.650 1.3069 80.997   2.0826  81.751   2.9391  80.237   2.9515  102.119 1.8359 101.169 1.8610 0.9500504      2.614187 
1 1 1 9  7  12 o 270.180 2.5476 572.331  10.790  591.474  15.695  555.175  14.859  274.621 3.6457 266.064 3.5623 8.556915       5.097167 
1 1 1 9  7  13 o 489.152 3.6707 1876.59  28.148  1849.15  39.258  1905.63  40.380  485.421 5.1589 492.771 5.2271 -7.350433      7.344177 
1 1 1 9  7  14 o 358.844 2.9774 1009.75  16.749  1005.64  25.502  1012.86  22.211  358.015 4.5438 359.341 3.9429 -1.325745      6.015993 
1 1 1 9  7  15 o 207.445 1.9774 337.376  6.4306  338.215  8.5159  336.264  9.8091  207.688 2.6156 207.076 3.0216 0.6115265      3.996442 
1 1 1 9  7  16 o 322.337 2.7170 814.724  13.730  811.688  20.858  817.046  18.238  321.655 4.1365 322.749 3.6046 -1.094208      5.486660 
1 1 1 9  7  17 o 331.384 2.4646 861.058  12.804  868.522  19.326  855.219  17.093  332.748 3.7049 330.215 3.3019 2.532776       4.962713 
1 1 1 9  7  18 o 199.428 1.8198 311.801  5.6894  305.617  7.9029  318.454  8.1973  197.422 2.5535 201.524 2.5947 -4.102448      3.640468 
1 1 1 9  7  19 o 95.999  1.3687 72.245   2.0599  72.331   3.0642  72.175   2.7823  96.049  2.0350 95.948  1.8498 0.1014938      2.750084 
1 1 1 9  7  20 o 266.167 2.0662 555.459  8.6213  557.516  12.959  553.825  11.548  266.613 3.1005 265.746 2.7719 0.8674927      4.158894 
1 1 1 9  7  21 o 239.928 1.8210 451.322  6.8493  451.743  9.6796  450.899  9.6931  240.013 2.5726 239.789 2.5786 0.2244415      3.642416 
1 1 1 9  7  22 o 219.426 1.8049 377.486  6.2087  381.704  8.3848  372.366  9.2379  220.628 2.4242 217.901 2.7043 2.726593       3.631865 
1 1 1 9  7  23 o 360.477 2.6404 1019.07  14.921  1042.20  20.432  992.641  21.841  364.467 3.5761 355.662 3.9172 8.804504       5.304034 
1 1 1 9  7  24 o 315.838 2.2476 782.210  11.128  791.874  14.538  768.535  17.294  317.740 2.9187 312.975 3.5247 4.765015       4.576317 
1 1 1 9  7  25 o 243.551 1.8438 465.076  7.0399  456.490  8.9412  479.082  11.419  241.270 2.3639 247.137 2.9474 -5.866852      3.778289 
1 1 1 9  7  26 o 141.993 1.3892 158.063  3.0923  159.106  4.3626  157.009  4.3837  142.449 1.9536 141.507 1.9761 0.9427795      2.778766 
1 1 1 9  7  27 o 314.508 2.1389 775.649  10.546  781.565  14.393  768.792  15.495  315.651 2.9087 313.040 3.1575 2.611084       4.293016 
1 1 1 9  7  28 o 218.934 1.7252 375.808  5.9213  380.020  8.4495  371.743  8.3005  220.127 2.4485 217.717 2.4320 2.409607       3.451040 
1 1 1 9  7  29 o 202.931 1.6488 322.874  5.2453  322.515  6.7532  323.419  8.3279  202.802 2.1241 203.063 2.6161 -0.2616119     3.369832 
1 1 1 9  7  30 o 259.935 1.8492 529.782  7.5353  536.323  10.301  522.252  11.052  261.499 2.5127 258.032 2.7323 3.467194       3.711978 
1 1 1 9  7  31 o 211.998 1.8801 352.403  6.2483  357.031  8.9490  348.001  8.7281  213.348 2.6757 210.634 2.6432 2.713470       3.761105 
1 1 1 9  7  32 o 187.322 1.5112 275.106  4.4378  280.530  6.1081  269.042  6.4585  189.140 2.0600 185.220 2.2243 3.920197       3.031683 
1 1 1 9  7  33 o 86.521  1.3006 58.688   1.7641  58.941   2.4067  58.394   2.5934  86.701  1.7707 86.295  1.9170 0.4058304      2.609690 
1 1 1 9  7  34 o 73.063  1.3640 41.851   1.5623  39.929   2.0867  44.303   2.3567  71.359  1.8654 75.164  2.0001 -3.804932      2.734931 
1 1 1 9  7  35 o 231.230 1.7138 419.236  6.2125  421.081  8.4490  417.063  9.1665  231.706 2.3260 230.584 2.5358 1.121643       3.441040 
1 1 1 9  7  36 o 118.733 1.3140 110.524  2.4458  114.575  3.3883  106.116  3.5342  120.879 1.7881 116.327 1.9380 4.551933       2.636861 
1 1 1 9  7  37 o 207.986 1.6106 339.182  5.2514  350.980  7.3111  326.608  7.5478  211.542 2.2046 204.056 2.3595 7.485992       3.229154 
1 1 1 9  7  38 o 45.727  1.8567 16.397   1.3309  14.770   1.8797  18.033   1.8848  43.297  2.7840 47.878  2.5201 -4.580067      3.755221 
1 1 1 9  7  39 o 252.221 1.8202 498.874  7.1969  496.951  9.7108  501.217  10.720  251.685 2.4612 252.741 2.7055 -1.055267      3.657509 
1 1 1 9  7  40 f 64.059  1.4124 32.175   1.4183  35.367   2.0666  29.333   1.9501  67.152  1.9631 61.155  2.0342 5.997280       2.826924 
1 1 1 9  7  41 o 252.248 1.7396 498.995  6.8790  505.324  9.8454  492.958  9.6155  253.779 2.4747 250.657 2.4470 3.121689       3.480239 
1 1 1 9  7  42 o 78.298  1.3062 48.069   1.6033  49.356   2.2876  46.826   2.2478  79.328  1.8395 77.267  1.8557 2.060837       2.612954 
1 1 1 9  7  43 o 264.392 1.7993 548.274  7.4578  545.328  10.502  551.271  10.592  263.598 2.5414 265.029 2.5494 -1.431335      3.599792 
1 1 1 9  7  44 o 79.032  1.2795 48.976   1.5852  47.339   2.2259  50.662   2.2582  77.685  1.8277 80.367  1.7924 -2.681412      2.559931 
1 1 1 9  7  45 o 102.998 1.2335 83.185   1.9917  86.373   2.8587  80.178   2.7766  104.934 1.7378 101.100 1.7519 3.833687       2.467570 
1 1 1 9  7  46 o 91.298  1.2320 65.363   1.7632  66.160   2.5293  64.610   2.4594  91.833  1.7569 90.752  1.7287 1.080338       2.464745 
1 1 1 9  7  47 o 23.456  2.8803 4.3883   1.0369  4.3729   1.3779  4.4085   1.5743  23.249  3.9200 23.255  4.4809 -0.6071091E-02 5.953545 
1 1 1 9  7  48 o 140.431 1.4316 154.693  3.1518  157.958  4.5191  151.602  4.3979  141.852 2.0322 138.971 2.0187 2.881699       2.864407 
1 1 1 9  7  49 o 129.171 1.3165 130.876  2.6659  132.282  4.0445  129.796  3.5450  129.805 1.9876 128.602 1.7584 1.203445       2.653749 
1 1 1 9  7  50 o 42.790  1.8282 14.374   1.2264  15.112   1.7694  13.691   1.7013  43.767  2.5904 41.647  2.6191 2.119934       3.683770 
1 1 1 9  7  51 o 63.762  1.2746 31.893   1.2741  31.466   1.8229  32.302   1.7815  63.305  1.8368 64.144  1.7716 -0.8389587     2.551992 
1 1 1 9  7  52 o 75.279  1.2074 44.455   1.4249  47.379   2.0887  41.910   1.9487  77.684  1.7152 73.064  1.7014 4.620003       2.415853 
1 1 1 9  7  53 o 110.040 1.1898 94.994   2.0524  96.555   2.9562  93.542   2.8517  110.892 1.7005 109.151 1.6666 1.740280       2.381007 
1 1 1 9  7  54 o 19.130  3.5669 2.9838   1.0303  3.3108   1.1989  2.0597   2.0153  20.111  3.9436 17.073  6.0341 3.038082       7.208485 
1 1 1 9  7  55 o 60.724  1.2914 28.937   1.2293  30.093   1.8752  28.065   1.6280  61.880  1.9331 59.774  1.7373 2.105980       2.599029 
1 1 1 9  7  56 o 53.202  1.2720 22.213   1.0609  25.182   1.5818  19.785   1.4304  56.612  1.7823 50.179  1.8183 6.433453       2.546161 
1 1 1 9  7  57 o 106.660 1.1544 89.267   1.9303  90.332   2.7838  88.280   2.6790  107.233 1.6560 106.014 1.6120 1.218994       2.310971 
1 1 1 9  7  58 o 57.123  1.3988 25.620   1.2526  25.505   1.4975  25.887   2.2855  56.974  1.6767 57.310  2.5439 -0.3358116     3.046768 
1 1 1 9  7  59 o 30.021  2.6012 7.1598   1.2121  5.9607   1.5608  8.9819   1.9240  27.154  3.7682 33.441  3.7337 -6.287418      5.304711 
1 1 1 9  7  60 o 58.521  1.5578 26.906   1.4291  27.840   2.0410  26.008   2.0017  59.460  2.1896 57.467  2.2220 1.993698       3.119498 
1 1 1 9  7  61 o 43.623  1.8413 14.968   1.2592  15.814   1.9191  14.328   1.6687  44.661  2.7544 42.544  2.5132 2.117489       3.728648 
1 1 1 9  7  62 o 80.308  1.3875 50.660   1.7468  49.467   2.4880  51.820   2.4530  79.267  2.0022 81.143  1.9284 -1.876343      2.779807 
1 1 1 9  7  63 o 27.764  2.8837 6.1653   1.2368  5.9164   1.9335  6.3377   1.6091  26.739  4.7885 27.962  3.7665 -1.223673      6.092279 
1 1 1 9  7  64 o 10.509  4.1679 0.4906   1.0227  -0.7146  1.5852  1.3501   1.3386  10.350  4.6570 13.814  4.9140 -3.464972      6.770125 
1 1 1 9  7  65 o 80.942  1.3530 51.486   1.7169  52.008   2.4132  50.951   2.4432  81.251  1.8946 80.412  1.9381 0.8396225      2.710290 
1 1 1 9  7  66 o 67.374  1.3830 35.685   1.4607  32.319   2.0488  39.165   2.0832  64.007  2.0418 70.494  1.8851 -6.487152      2.778946 
1 1 1 9  7  67 o 19.422  3.8773 3.1324   1.1392  3.9559   1.4455  1.7824   1.8507  21.752  4.3903 15.849  5.7602 5.902930       7.242583 
1 1 1 9  7  68 o 51.631  1.6769 21.004   1.3573  22.083   1.7860  19.530   2.0883  52.851  2.1557 49.510  2.7008 3.340298       3.455591 
1 1 1 9  7  69 o 12.475  4.2795 1.1746   1.0095  1.0463   1.2651  1.3996   1.6749  12.688  4.7359 14.528  5.4440 -1.839163      7.215707 
1 1 1 9  7  70 o 13.913  4.0531 1.6080   0.9380  2.9011   1.1710  -0.7065  1.5667  18.543  4.1338 10.180  4.6006 8.363029       6.184989 
1 1 1 9  7  71 o 39.980  2.2368 12.723   1.3963  14.631   2.0629  11.110   1.8968  42.587  3.1115 37.013  3.3038 5.573860       4.538339 
1 1 1 9  7  72 o 45.556  2.1932 16.480   1.5663  17.699   2.0562  14.796   2.4177  46.938  2.8073 42.537  3.6612 4.400517       4.613595 
1 1 1 9  7  73 o 23.589  4.0068 4.6747   1.4287  4.1104   1.9087  5.3937   2.1547  21.533  5.6011 24.660  5.6893 -3.127575      7.983757 
1 1 1 9  7  74 o 30.048  2.7527 7.3006   1.2823  6.1156   1.9319  8.2337   1.7143  26.662  4.7986 31.633  3.5165 -4.971092      5.949102 
1 1 1 9  7  75 o 44.210  2.4013 15.653   1.6580  15.893   2.2416  15.363   2.4636  44.157  3.2613 43.190  3.6735 0.9672127      4.912309 
1 1 1 9  7  76 o 18.427  4.8265 2.9762   1.4108  3.1567   1.8877  2.7477   2.1236  18.832  5.8122 17.920  6.2035 0.9118347      8.500860 
1 1 1 9  7  77 o 16.948  5.6506 2.4716   1.7595  2.0613   3.0885  2.6687   2.1409  17.679  7.1631 17.699  6.2230 -0.1953506E-01 9.488742 
1 1 1 9  7  78 o 15.985  5.6151 2.1215   1.7429  3.3376   3.1359  1.5780   2.0965  19.647  7.4306 15.286  5.9974 4.361128       9.548965 
1 1 1 9  7  79 o 12.396  5.3731 0.1742   1.9294  0.2837   3.1600  0.1091   2.4362  15.264  6.7392 13.561  5.9547 1.703175       8.993098 
1 1 1 9  7  80 o 23.562  5.6112 5.1283   2.0429  5.7219   3.2223  4.7294   2.6417  23.615  7.6346 21.949  6.8925 1.666241       10.28563 
1 1 1 9  7  81 o 12.207  5.3615 0.0759   1.9759  1.5946   3.2640  -0.8026  2.4825  16.643  7.0975 12.384  5.6718 4.258419       9.085376 
1 1 1 9  8  0  o 27.039  5.6978 6.4407   2.1258  6.4407   2.1258  6.4407   2.1258  27.039  5.6978 27.039  5.6978 -0.000000      0.000000 
1 1 1 9  8  1  f 265.215 2.2165 551.458  9.2156  535.723  12.688  569.028  13.407  261.377 3.0965 269.376 3.1749 -7.999298      4.434882 
1 1 1 9  8  2  o 450.511 3.4157 1591.69  24.123  1534.19  32.822  1659.23  35.575  442.195 4.7348 459.843 4.9350 -17.64804      6.839023 
1 1 1 9  8  3  o 158.649 1.6297 197.310  4.0531  195.527  5.7030  199.130  5.7614  157.921 2.3036 159.369 2.3061 -1.448196      3.259527 
1 1 1 9  8  4  o 406.060 3.1107 1292.98  19.802  1307.75  28.288  1278.79  27.729  408.283 4.4196 403.739 4.3811 4.543579       6.223075 
1 1 1 9  8  5  o 240.458 2.3658 453.329  8.9180  477.619  13.150  432.646  12.135  246.782 3.3992 234.880 3.2956 11.90193       4.734450 
1 1 1 9  8  6  o 344.797 3.1179 932.284  16.853  943.151  24.092  921.870  23.584  346.721 4.4324 342.790 4.3887 3.930908       6.237538 
1 1 1 9  8  7  o 194.370 2.0691 296.190  6.3047  297.673  8.9407  294.724  8.8918  194.836 2.9272 193.868 2.9257 0.9674835      4.138615 
1 1 1 9  8  8  o 366.394 2.5536 1052.59  14.668  1053.28  20.794  1051.91  20.692  366.454 3.6196 366.217 3.6043 0.2368164      5.108086 
1 1 1 9  8  9  f 93.804  1.3444 68.978   1.9769  74.455   2.8919  64.173   2.7087  97.453  1.8929 90.474  1.9098 6.978897       2.688958 
1 1 1 9  8  10 o 327.051 2.3153 838.643  11.871  842.844  16.860  834.513  16.716  327.823 3.2807 326.200 3.2689 1.623444       4.631297 
1 1 1 9  8  11 o 260.737 1.9465 532.989  7.9563  528.271  11.154  537.877  11.352  259.554 2.7413 261.902 2.7650 -2.348358      3.893551 
1 1 1 9  8  12 o 207.921 1.6769 338.914  5.4660  337.941  7.7072  339.899  7.7531  207.606 2.3681 208.206 2.3754 -0.6002960     3.354137 
1 1 1 9  8  13 o 589.117 3.7306 2722.58  34.454  2748.35  47.096  2692.90  50.536  591.694 5.0773 585.617 5.5047 6.076843       7.488726 
1 1 1 9  8  14 o 172.514 1.4499 233.307  3.9212  233.883  5.8420  232.834  5.2898  172.713 2.1577 172.330 1.9580 0.3835449      2.913667 
1 1 1 9  8  15 f 130.412 1.3010 133.324  2.6597  136.267  3.6820  130.113  3.8462  131.838 1.7815 128.824 1.9045 3.013504       2.607870 
1 1 1 9  8  16 o 112.036 1.2242 98.398   2.1502  102.731  3.0922  94.342   2.9918  114.471 1.7231 109.697 1.7398 4.773674       2.448656 
1 1 1 9  8  17 o 77.450  1.3225 47.024   1.6058  47.574   2.1799  46.371   2.3744  77.898  1.7850 76.905  1.9694 0.9928436      2.658025 
1 1 1 9  8  18 o 246.094 1.7842 474.816  6.8832  467.221  10.080  481.451  9.4218  244.084 2.6343 247.783 2.4255 -3.698685      3.580921 
1 1 1 9  8  19 o 153.566 1.3170 184.870  3.1706  186.044  4.5055  183.719  4.4627  154.042 1.8657 153.077 1.8597 0.9654388      2.634254 
1 1 1 9  8  20 o 47.607  1.5074 17.768   1.1250  17.921   1.6021  17.620   1.5801  47.807  2.1377 47.404  2.1262 0.4033737      3.015085 
1 1 1 9  8  21 o 162.716 1.3506 207.561  3.4452  205.601  4.8471  209.563  4.8978  161.934 1.9094 163.486 1.9110 -1.552536      2.701439 
1 1 1 9  8  22 o 123.254 1.2375 119.091  2.3911  116.845  3.3295  121.484  3.4360  122.078 1.7398 124.477 1.7608 -2.399506      2.475326 
1 1 1 9  8  23 o 228.190 1.6253 408.241  5.8140  404.961  8.1618  411.621  8.2841  227.245 2.2911 229.105 2.3065 -1.860214      3.250998 
1 1 1 9  8  24 o 179.738 1.4173 253.268  3.9935  250.994  5.6117  255.602  5.6844  178.913 2.0008 180.547 2.0084 -1.634323      2.834901 
1 1 1 9  8  25 o 273.190 1.9270 585.201  8.2528  594.971  11.334  574.177  12.040  275.421 2.6251 270.550 2.8388 4.870514       3.866502 
1 1 1 9  8  26 o 82.900  1.3711 53.878   1.7819  52.620   2.4674  55.248   2.5761  81.920  1.9213 83.940  1.9577 -2.020042      2.742970 
1 1 1 9  8  27 o 372.745 2.4689 1089.69  14.427  1101.65  19.727  1075.94  21.154  374.690 3.3584 370.256 3.6444 4.434174       4.955864 
1 1 1 9  8  28 o 283.445 1.9836 629.988  8.8142  627.724  11.884  632.755  13.140  282.890 2.6798 284.000 2.9515 -1.109680      3.986551 
1 1 1 9  8  29 o 112.152 1.3731 98.610   2.4142  97.439   3.0768  100.485  3.8943  111.477 1.7606 113.196 2.1946 -1.718819      2.813482 
1 1 1 9  8  30 o 114.366 1.3862 102.543  2.4852  104.649  3.5416  100.500  3.4883  115.523 1.9556 113.210 1.9655 2.313522       2.772665 
1 1 1 9  8  31 o 257.765 1.9485 521.015  7.8738  525.217  11.215  516.930  11.057  258.748 2.7648 256.700 2.7477 2.048096       3.897962 
1 1 1 9  8  32 o 99.270  1.3828 77.260   2.1519  78.820   3.0550  75.723   3.0317  100.257 1.9437 98.267  1.9680 1.989944       2.766064 
1 1 1 9  8  33 o 163.369 1.5091 209.257  3.8650  210.609  5.4933  207.932  5.4391  163.874 2.1383 162.829 2.1308 1.044556       3.018693 
1 1 1 9  8  34 o 50.747  1.7607 20.194   1.4007  19.812   1.9957  20.565   1.9665  50.190  2.5448 51.202  2.4499 -1.012093      3.532396 
1 1 1 9  8  35 o 156.045 1.4206 190.914  3.4751  189.828  4.7024  192.222  5.1581  155.583 1.9280 156.554 2.1017 -0.9708099     2.852074 
1 1 1 9  8  36 o 131.779 1.3581 136.153  2.8057  130.270  3.7101  144.012  4.2881  128.887 1.8362 135.508 2.0186 -6.621002      2.728779 
1 1 1 9  8  37 o 207.476 1.6219 337.540  5.2754  329.954  7.0188  347.390  7.9976  205.100 2.1829 210.432 2.4244 -5.332367      3.262321 
1 1 1 9  8  38 o 186.335 1.5320 272.253  4.4753  274.220  6.0885  269.940  6.6004  186.979 2.0771 185.502 2.2697 1.476837       3.076689 
1 1 1 9  8  39 f 304.486 2.0149 727.196  9.6178  734.052  13.723  720.578  13.483  305.813 2.8625 302.997 2.8386 2.816467       4.031331 
1 1 1 9  8  40 o 298.928 1.9846 700.916  9.3000  707.428  13.266  694.622  13.042  300.205 2.8188 297.479 2.7965 2.726135       3.970638 
1 1 1 9  8  41 o 196.229 1.5001 301.954  4.6145  305.343  6.5741  298.662  6.4787  197.283 2.1256 195.113 2.1181 2.169418       3.000787 
1 1 1 9  8  42 o 125.599 1.2765 123.694  2.5134  125.144  3.5714  122.270  3.5377  126.311 1.8036 124.852 1.8075 1.458992       2.553426 
1 1 1 9  8  43 o 200.423 1.5188 315.038  4.7720  319.389  6.8249  310.875  6.6749  201.745 2.1579 199.040 2.1392 2.705246       3.038567 
1 1 1 9  8  44 o 182.770 1.4456 261.988  4.1420  265.669  5.9242  258.467  5.7934  183.996 2.0538 181.487 2.0363 2.509644       2.892166 
1 1 1 9  8  45 o 149.609 1.3264 175.540  3.1109  177.613  4.4276  173.519  4.3719  150.449 1.8772 148.705 1.8754 1.743866       2.653499 
1 1 1 9  8  46 o 161.125 1.3623 203.626  3.4410  200.174  4.8213  207.209  4.9127  159.703 1.9257 162.484 1.9286 -2.781525      2.725457 
1 1 1 9  8  47 o 123.488 1.2594 119.603  2.4381  116.767  3.4126  122.560  3.4846  121.977 1.7846 124.967 1.7787 -2.989906      2.519684 
1 1 1 9  8  48 o 100.549 1.2304 79.299   1.9394  78.959   2.7573  79.633   2.7284  100.299 1.7536 100.728 1.7278 -0.4289474     2.461839 
1 1 1 9  8  49 o 66.527  1.4115 34.725   1.4721  32.763   1.9690  37.212   2.2167  64.593  1.9446 68.831  2.0543 -4.238449      2.828714 
1 1 1 9  8  50 o 72.124  1.2720 40.809   1.4382  42.305   2.0594  39.385   2.0093  73.402  1.7897 70.823  1.8097 2.579475       2.545214 
1 1 1 9  8  51 o 38.688  1.9610 11.788   1.1854  11.252   1.6691  12.334   1.6839  37.693  2.8456 39.488  2.7370 -1.794849      3.948255 
1 1 1 9  8  52 o 102.268 1.3875 82.079   2.2245  79.656   3.0940  84.672   3.2004  100.686 1.9602 103.806 1.9667 -3.120865      2.776717 
1 1 1 9  8  53 o 41.783  1.5887 13.708   1.0406  14.641   1.5003  12.843   1.4446  43.088  2.2287 40.340  2.2938 2.748100       3.198174 
1 1 1 9  8  54 o 80.903  1.3351 51.372   1.6933  54.055   2.7516  49.736   2.1484  82.907  2.1171 79.570  1.7223 3.336998       2.729149 
1 1 1 9  8  55 o 86.298  1.2063 58.441   1.6319  58.339   2.3217  58.541   2.2944  86.171  1.7186 86.323  1.6955 -0.1511459     2.414196 
1 1 1 9  8  56 o 106.802 1.2008 89.517   2.0105  89.748   2.8505  89.288   2.8361  106.874 1.7014 106.601 1.6971 0.2737198      2.403060 
1 1 1 9  8  57 o 93.851  1.1807 69.125   1.7372  67.514   2.4472  70.763   2.4665  92.691  1.6841 94.899  1.6579 -2.207809      2.363250 
1 1 1 9  8  58 o 66.496  1.2193 34.707   1.2711  33.994   1.8061  35.407   1.7891  65.760  1.7520 67.118  1.7004 -1.358574      2.441444 
1 1 1 9  8  59 o 72.278  1.1550 41.002   1.3088  41.034   1.8780  40.972   1.8249  72.255  1.6579 72.205  1.6122 0.4974365E-01  2.312539 
1 1 1 9  8  60 f 55.978  1.5860 24.628   1.3918  25.355   1.9900  23.932   1.9472  56.723  2.2379 55.107  2.2540 1.616669       3.176265 
1 1 1 9  8  61 o 86.910  1.4210 59.341   1.9360  62.454   2.8096  56.527   2.6716  89.057  2.0125 84.726  2.0114 4.330444       2.845278 
1 1 1 9  8  62 o 22.488  3.5468 4.1185   1.2089  5.2375   1.5731  2.5041   1.8894  25.283  4.1100 17.791  5.8518 7.492512       7.150919 
1 1 1 9  8  63 o 37.236  2.3858 10.995   1.3854  11.185   1.7251  10.649   2.3249  37.443  2.9632 36.219  4.1708 1.223419       5.116242 
1 1 1 9  8  64 o 92.892  1.4291 67.838   2.0811  65.039   2.9201  70.726   2.9667  90.813  2.0511 94.715  1.9980 -3.902473      2.863416 
1 1 1 9  8  65 o 50.449  1.9851 20.075   1.5700  21.645   2.7517  19.317   1.9117  51.969  3.3962 49.404  2.4683 2.565727       4.198390 
1 1 1 9  8  66 o 48.358  1.8910 18.445   1.4336  19.817   2.1150  17.278   1.9499  49.890  2.7144 46.584  2.6813 3.305870       3.815434 
1 1 1 9  8  67 o 45.557  1.8754 16.378   1.3394  16.639   1.8641  16.100   1.9257  45.704  2.6126 44.916  2.7481 0.7878838      3.791833 
1 1 1 9  8  68 o 46.923  1.7892 17.375   1.3161  17.725   1.8515  17.017   1.8713  47.176  2.5125 46.197  2.5944 0.9783707      3.611607 
1 1 1 9  8  69 o 32.630  2.0928 8.4644   1.0649  7.0918   1.5831  9.5989   1.4392  29.475  3.4940 34.610  2.6733 -5.134228      4.399435 
1 1 1 9  8  70 o 32.482  2.3587 8.4300   1.1929  8.2657   1.4898  8.7237   1.9912  31.973  3.0076 32.490  3.9935 -0.5170746     4.999335 
1 1 1 9  8  71 o 40.216  1.8822 12.803   1.1866  12.617   1.4303  13.212   2.1254  39.763  2.3044 40.282  3.3975 -0.5187912     4.105214 
1 1 1 9  8  72 o 18.614  4.3609 2.9757   1.2503  3.8480   1.8246  2.2035   1.7166  20.848  5.5024 16.363  5.5809 4.484869       7.837292 
1 1 1 9  8  73 o 27.390  2.9829 6.1124   1.2601  4.1478   1.7462  8.2473   1.8203  21.691  5.2023 31.543  3.7551 -9.851717      6.415920 
1 1 1 9  8  74 o 21.602  3.7858 3.9288   1.2353  3.3645   1.7454  4.4951   1.7485  19.439  5.4876 22.613  5.0589 -3.174335      7.463612 
1 1 1 9  8  75 o 9.4550  4.1502 -0.1657  1.1824  1.0851   1.7106  -1.3102  1.6362  13.612  5.3928 9.5174  4.4438 4.094540       6.987757 
1 1 1 9  8  76 o 12.970  4.9715 1.1083   1.4156  2.4731   1.9036  -0.5800  2.1173  17.035  5.8748 11.947  5.3784 5.087556       7.964958 
1 1 1 9  8  77 o 18.585  5.3951 3.1023   1.6645  5.3404   2.6459  1.6364   2.1414  23.629  6.7856 15.452  6.0617 8.176702       9.098796 
1 1 1 9  8  78 o 14.683  5.4702 1.6499   1.6862  0.8763   2.5696  2.2350   2.2347  14.877  6.3197 16.666  6.2799 -1.789618      8.909357 
1 1 1 9  8  79 o 17.472  5.5794 2.7699   1.7250  5.2019   2.7499  1.1921   2.2150  22.869  7.0080 14.590  6.0069 8.278802       9.230127 
1 1 1 9  8  80 o 12.279  5.1658 0.5766   1.6902  1.2858   2.6324  0.0793   2.2046  15.303  6.4430 12.762  5.6320 2.541323       8.557507 
1 1 1 9  9  0  o 253.083 3.5157 502.430  13.942  502.430  13.942  502.430  13.942  253.083 3.5157 253.083 3.5157 0.000000       0.000000 
1 1 1 9  9  1  o 243.391 2.6349 464.588  10.051  464.588  10.051  464.588  10.051  243.391 2.6349 243.391 2.6349 0.000000       0.000000 
1 1 1 9  9  2  o 185.617 2.4919 270.251  7.2482  270.251  7.2482  270.251  7.2482  185.617 2.4919 185.617 2.4919 0.000000       0.000000 
1 1 1 9  9  3  o 350.934 3.8915 966.090  21.403  966.090  21.403  966.090  21.403  350.934 3.8915 350.934 3.8915 0.000000       0.000000 
1 1 1 9  9  4  o 153.397 2.2864 184.592  5.4955  184.592  5.4955  184.592  5.4955  153.397 2.2864 153.397 2.2864 0.000000       0.000000 
1 1 1 9  9  5  o 258.677 3.0656 524.856  12.428  524.856  12.428  524.856  12.428  258.677 3.0656 258.677 3.0656 -0.000000      0.000000 
1 1 1 9  9  6  o 23.096  5.2716 4.7814   1.6630  4.7814   1.6630  4.7814   1.6630  23.096  5.2716 23.096  5.2716 -0.000000      0.000000 
1 1 1 9  9  7  o 211.178 3.1228 349.892  10.333  349.892  10.333  349.892  10.333  211.178 3.1228 211.178 3.1228 -0.000000      0.000000 
1 1 1 9  9  8  o 259.782 3.5825 529.494  14.584  529.494  14.584  529.494  14.584  259.782 3.5825 259.782 3.5825 -0.000000      0.000000 
1 1 1 9  9  9  o 200.292 2.6400 314.684  8.2862  314.684  8.2862  314.684  8.2862  200.292 2.6400 200.292 2.6400 0.000000       0.000000 
1 1 1 9  9  10 o 229.295 2.8542 412.411  10.256  412.411  10.256  412.411  10.256  229.295 2.8542 229.295 2.8542 0.000000       0.000000 
1 1 1 9  9  11 o 342.023 3.8257 917.718  20.507  917.718  20.507  917.718  20.507  342.023 3.8257 342.023 3.8257 0.000000       0.000000 
1 1 1 9  9  12 o 233.474 2.5683 427.522  9.3978  427.522  9.3978  427.522  9.3978  233.474 2.5683 233.474 2.5683 0.000000       0.000000 
1 1 1 9  9  13 o 19.615  5.7989 3.7105   1.5505  3.7105   1.5505  3.7105   1.5505  19.615  5.7989 19.615  5.7989 0.000000       0.000000 
1 1 1 9  9  14 o 44.787  2.5662 15.881   1.7882  15.881   1.7882  15.881   1.7882  44.787  2.5662 44.787  2.5662 0.000000       0.000000 
1 1 1 9  9  15 o 62.742  2.1561 30.970   2.1150  30.970   2.1150  30.970   2.1150  62.742  2.1561 62.742  2.1561 0.000000       0.000000 
1 1 1 9  9  16 o 114.815 1.9551 103.435  3.5167  103.435  3.5167  103.435  3.5167  114.815 1.9551 114.815 1.9551 -0.000000      0.000000 
1 1 1 9  9  17 o 270.861 3.2014 575.540  13.590  575.540  13.590  575.540  13.590  270.861 3.2014 270.861 3.2014 0.000000       0.000000 
1 1 1 9  9  18 o 174.336 2.0131 238.366  5.5003  238.366  5.5003  238.366  5.5003  174.336 2.0131 174.336 2.0131 -0.000000      0.000000 
1 1 1 9  9  19 o 115.026 1.7706 103.796  3.1911  103.796  3.1911  103.796  3.1911  115.026 1.7706 115.026 1.7706 0.000000       0.000000 
1 1 1 9  9  20 o 413.117 3.6599 1338.85  23.698  1338.85  23.698  1338.85  23.698  413.117 3.6599 413.117 3.6599 -0.000000      0.000000 
1 1 1 9  9  21 o 175.668 1.9959 242.023  5.4948  242.023  5.4948  242.023  5.4948  175.668 1.9959 175.668 1.9959 -0.000000      0.000000 
1 1 1 9  9  22 o 47.838  2.2414 18.060   1.6725  18.060   1.6725  18.060   1.6725  47.838  2.2414 47.838  2.2414 0.000000       0.000000 
1 1 1 9  9  23 o 141.046 1.8478 156.042  4.0842  156.042  4.0842  156.042  4.0842  141.046 1.8478 141.046 1.8478 0.000000       0.000000 
1 1 1 9  9  24 o 197.786 2.1302 306.804  6.6031  306.804  6.6031  306.804  6.6031  197.786 2.1302 197.786 2.1302 0.000000       0.000000 
1 1 1 9  9  25 o 92.252  1.7934 66.794   2.5915  66.794   2.5915  66.794   2.5915  92.252  1.7934 92.252  1.7934 0.000000       0.000000 
1 1 1 9  9  26 o 111.438 1.9467 97.448   3.3985  97.448   3.3985  97.448   3.3985  111.438 1.9467 111.438 1.9467 -0.000000      0.000000 
1 1 1 9  9  27 o 117.257 1.7993 107.865  3.3057  107.865  3.3057  107.865  3.3057  117.257 1.7993 117.257 1.7993 -0.000000      0.000000 
1 1 1 9  9  28 o 46.276  2.7514 16.970   1.9799  16.970   1.9799  16.970   1.9799  46.276  2.7514 46.276  2.7514 0.000000       0.000000 
1 1 1 9  9  29 o 198.046 2.6489 307.726  8.2207  307.726  8.2207  307.726  8.2207  198.046 2.6489 198.046 2.6489 0.000000       0.000000 
1 1 1 9  9  30 o 232.987 2.5968 425.820  9.4819  425.820  9.4819  425.820  9.4819  232.987 2.5968 232.987 2.5968 0.000000       0.000000 
1 1 1 9  9  31 f 295.432 3.0596 684.753  14.167  684.753  14.167  684.753  14.167  295.432 3.0596 295.432 3.0596 -0.000000      0.000000 
1 1 1 9  9  32 o 28.469  4.5115 6.8204   1.8621  6.8204   1.8621  6.8204   1.8621  28.469  4.5115 28.469  4.5115 0.000000       0.000000 
1 1 1 9  9  33 o 10.450  6.1102 1.0089   1.6703  1.0089   1.6703  1.0089   1.6703  10.450  6.1102 10.450  6.1102 -0.000000      0.000000 
1 1 1 9  9  34 o 129.606 2.0563 131.807  4.1756  131.807  4.1756  131.807  4.1756  129.606 2.0563 129.606 2.0563 -0.000000      0.000000 
1 1 1 9  9  35 o 120.097 2.0250 113.187  3.8101  113.187  3.8101  113.187  3.8101  120.097 2.0250 120.097 2.0250 0.000000       0.000000 
1 1 1 9  9  36 o 8.1171  5.3033 -0.2102  1.6585  -0.2102  1.6585  -0.2102  1.6585  8.1171  5.3033 8.1171  5.3033 0.000000       0.000000 
1 1 1 9  9  37 o 230.581 2.5807 417.154  9.3260  417.154  9.3260  417.154  9.3260  230.581 2.5807 230.581 2.5807 0.000000       0.000000 
1 1 1 9  9  38 o 242.677 2.6666 462.109  10.142  462.109  10.142  462.109  10.142  242.677 2.6666 242.677 2.6666 -0.000000      0.000000 
1 1 1 9  9  39 f 270.449 2.8747 574.026  12.185  574.026  12.185  574.026  12.185  270.449 2.8747 270.449 2.8747 0.000000       0.000000 
1 1 1 9  9  40 o 189.098 2.3079 280.587  6.8394  280.587  6.8394  280.587  6.8394  189.098 2.3079 189.098 2.3079 -0.000000      0.000000 
1 1 1 9  9  41 o 73.640  2.1088 42.635   2.4299  42.635   2.4299  42.635   2.4299  73.640  2.1088 73.640  2.1088 0.000000       0.000000 
1 1 1 9  9  42 o 249.579 2.7214 488.969  10.645  488.969  10.645  488.969  10.645  249.579 2.7214 249.579 2.7214 -0.000000      0.000000 
1 1 1 9  9  43 o 24.753  4.6688 5.2993   1.6235  5.2993   1.6235  5.2993   1.6235  24.753  4.6688 24.753  4.6688 0.000000       0.000000 
1 1 1 9  9  44 o 107.347 1.9775 90.485   3.3253  90.485   3.3253  90.485   3.3253  107.347 1.9775 107.347 1.9775 -0.000000      0.000000 
1 1 1 9  9  45 o 16.254  6.3935 2.8639   1.5631  2.8639   1.5631  2.8639   1.5631  16.254  6.3935 16.254  6.3935 -0.000000      0.000000 
1 1 1 9  9  46 o 39.538  2.8592 12.469   1.7509  12.469   1.7509  12.469   1.7509  39.538  2.8592 39.538  2.8592 -0.000000      0.000000 
1 1 1 9  9  47 o 121.148 1.9963 115.263  3.7891  115.263  3.7891  115.263  3.7891  121.148 1.9963 121.148 1.9963 0.000000       0.000000 
1 1 1 9  9  48 o 53.059  2.3704 22.237   1.9628  22.237   1.9628  22.237   1.9628  53.059  2.3704 53.059  2.3704 0.000000       0.000000 
1 1 1 9  9  49 o 163.446 2.1514 209.837  5.5105  209.837  5.5105  209.837  5.5105  163.446 2.1514 163.446 2.1514 0.000000       0.000000 
1 1 1 9  9  50 o 94.382  1.7890 69.982   2.6449  69.982   2.6449  69.982   2.6449  94.382  1.7890 94.382  1.7890 -0.000000      0.000000 
1 1 1 9  9  51 f 101.630 1.7736 81.136   2.8237  81.136   2.8237  81.136   2.8237  101.630 1.7736 101.630 1.7736 -0.000000      0.000000 
1 1 1 9  9  52 o 20.008  4.8824 3.6703   1.3267  3.6703   1.3267  3.6703   1.3267  20.008  4.8824 20.008  4.8824 -0.000000      0.000000 
1 1 1 9  9  53 o 90.949  1.9577 65.044   2.7884  65.044   2.7884  65.044   2.7884  90.949  1.9577 90.949  1.9577 -0.000000      0.000000 
1 1 1 9  9  54 o 26.514  4.2285 5.9574   1.6236  5.9574   1.6236  5.9574   1.6236  26.514  4.2285 26.514  4.2285 -0.000000      0.000000 
1 1 1 9  9  55 o 6.8530  4.6411 -0.7257  1.4792  -0.7257  1.4792  -0.7257  1.4792  6.8530  4.6411 6.8530  4.6411 -0.000000      0.000000 
1 1 1 9  9  56 o 10.255  5.5739 1.1872   1.2639  1.1872   1.2639  1.1872   1.2639  10.255  5.5739 10.255  5.5739 0.000000       0.000000 
1 1 1 9  9  57 o 34.694  2.7534 9.6557   1.4759  9.6557   1.4759  9.6557   1.4759  34.694  2.7534 34.694  2.7534 0.000000       0.000000 
1 1 1 9  9  58 f 32.126  3.0479 8.3545   1.5032  8.3545   1.5032  8.3545   1.5032  32.126  3.0479 32.126  3.0479 0.000000       0.000000 
1 1 1 9  9  59 o 44.848  2.2856 15.947   1.5974  15.947   1.5974  15.947   1.5974  44.848  2.2856 44.848  2.2856 -0.000000      0.000000 
1 1 1 9  9  60 o 5.9062  4.0338 -0.7011  1.1676  -0.7011  1.1676  -0.7011  1.1676  5.9062  4.0338 5.9062  4.0338 0.000000       0.000000 
1 1 1 9  9  61 o 27.014  2.8620 5.9485   1.1809  5.9485   1.1809  5.9485   1.1809  27.014  2.8620 27.014  2.8620 0.000000       0.000000 
1 1 1 9  9  62 o 37.448  2.9602 11.285   1.7129  11.285   1.7129  11.285   1.7129  37.448  2.9602 37.448  2.9602 0.000000       0.000000 
1 1 1 9  9  63 o 9.1404  5.5748 0.6356   1.5083  0.6356   1.5083  0.6356   1.5083  9.1404  5.5748 9.1404  5.5748 0.000000       0.000000 
1 1 1 9  9  64 o 29.922  3.6811 7.4316   1.6566  7.4316   1.6566  7.4316   1.6566  29.922  3.6811 29.922  3.6811 -0.000000      0.000000 
1 1 1 9  9  65 o 73.827  2.1903 43.096   2.5299  43.096   2.5299  43.096   2.5299  73.827  2.1903 73.827  2.1903 0.000000       0.000000 
1 1 1 9  9  66 o 37.921  3.7037 11.801   2.1536  11.801   2.1536  11.801   2.1536  37.921  3.7037 37.921  3.7037 -0.000000      0.000000 
1 1 1 9  9  67 o 68.072  2.6856 36.902   2.8558  36.902   2.8558  36.902   2.8558  68.072  2.6856 68.072  2.6856 0.000000       0.000000 
1 1 1 9  9  68 o 58.891  2.3563 27.579   2.1674  27.579   2.1674  27.579   2.1674  58.891  2.3563 58.891  2.3563 0.000000       0.000000 
1 1 1 9  9  69 o 16.129  6.1141 2.8916   1.4512  2.8916   1.4512  2.8916   1.4512  16.129  6.1141 16.129  6.1141 -0.000000      0.000000 
1 1 1 9  9  70 o 103.914 1.8975 85.381   3.0887  85.381   3.0887  85.381   3.0887  103.914 1.8975 103.914 1.8975 -0.000000      0.000000 
1 1 1 9  9  71 f 36.072  2.8509 10.578   1.5890  10.578   1.5890  10.578   1.5890  36.072  2.8509 36.072  2.8509 -0.000000      0.000000 
1 1 1 9  9  72 o 11.654  6.5259 1.6846   1.7906  1.6846   1.7906  1.6846   1.7906  11.654  6.5259 11.654  6.5259 0.000000       0.000000 
1 1 1 9  9  73 o 31.991  4.1537 8.7574   1.9862  8.7574   1.9862  8.7574   1.9862  31.991  4.1537 31.991  4.1537 -0.000000      0.000000 
1 1 1 9  9  74 o 43.865  3.5446 15.897   2.4009  15.897   2.4009  15.897   2.4009  43.865  3.5446 43.865  3.5446 -0.000000      0.000000 
1 1 1 9  9  75 o 42.750  3.6057 15.171   2.3769  15.171   2.3769  15.171   2.3769  42.750  3.6057 42.750  3.6057 -0.000000      0.000000 
1 1 1 9  9  76 o 28.867  5.3576 7.6595   2.1791  7.6595   2.1791  7.6595   2.1791  28.867  5.3576 28.867  5.3576 -0.000000      0.000000 
1 1 1 9  9  77 o 8.4669  5.8363 -1.2240  2.5764  -1.2240  2.5764  -1.2240  2.5764  8.4669  5.8363 8.4669  5.8363 0.000000       0.000000 
1 1 1 9  9  78 o 17.739  8.4440 4.5224   2.6816  4.5224   2.6816  4.5224   2.6816  17.739  8.4440 17.739  8.4440 -0.000000      0.000000 
1 1 1 9  9  79 o 56.967  4.0521 27.630   3.5767  27.630   3.5767  27.630   3.5767  56.967  4.0521 56.967  4.0521 0.000000       0.000000 
1 1 1 10 0  0  o 184.115 2.7068 265.889  7.8089  265.889  7.8089  265.889  7.8089  184.115 2.7068 184.115 2.7068 -0.000000      0.000000 
1 1 1 10 0  1  o 608.734 5.1718 2905.94  49.346  2905.94  49.346  2905.94  49.346  608.734 5.1718 608.734 5.1718 0.000000       0.000000 
1 1 1 10 0  2  o 588.752 5.0075 2718.25  46.210  2718.25  46.210  2718.25  46.210  588.752 5.0075 588.752 5.0075 -0.000000      0.000000 
1 1 1 10 0  3  o 425.978 3.7024 1422.84  24.720  1422.84  24.720  1422.84  24.720  425.978 3.7024 425.978 3.7024 -0.000000      0.000000 
1 1 1 10 0  4  o 821.583 6.9065 5294.46  88.939  5294.46  88.939  5294.46  88.939  821.583 6.9065 821.583 6.9065 0.000000       0.000000 
1 1 1 10 0  5  o 754.785 6.9696 4468.78  82.452  4468.78  82.452  4468.78  82.452  754.785 6.9696 754.785 6.9696 0.000000       0.000000 
1 1 1 10 0  6  o 563.684 5.2610 2491.88  46.481  2491.88  46.481  2491.88  46.481  563.684 5.2610 563.684 5.2610 0.000000       0.000000 
1 1 1 10 0  7  o 39.517  2.2436 12.359   1.3796  12.359   1.3796  12.359   1.3796  39.517  2.2436 39.517  2.2436 -0.000000      0.000000 
1 1 1 10 0  8  o 186.741 2.1105 273.458  6.1767  273.458  6.1767  273.458  6.1767  186.741 2.1105 186.741 2.1105 0.000000       0.000000 
1 1 1 10 0  9  o 479.136 4.5153 1800.30  33.909  1800.30  33.909  1800.30  33.909  479.136 4.5153 479.136 4.5153 0.000000       0.000000 
1 1 1 10 0  10 o 181.404 2.3263 258.081  6.6130  258.081  6.6130  258.081  6.6130  181.404 2.3263 181.404 2.3263 0.000000       0.000000 
1 1 1 10 0  11 o 397.534 3.8024 1239.24  23.692  1239.24  23.692  1239.24  23.692  397.534 3.8024 397.534 3.8024 -0.000000      0.000000 
1 1 1 10 0  12 o 442.027 4.1905 1532.21  29.032  1532.21  29.032  1532.21  29.032  442.027 4.1905 442.027 4.1905 -0.000000      0.000000 
1 1 1 10 0  13 o 741.886 6.8543 4317.45  79.702  4317.45  79.702  4317.45  79.702  741.886 6.8543 741.886 6.8543 -0.000000      0.000000 
1 1 1 10 0  14 o 441.333 4.1840 1527.41  28.942  1527.41  28.942  1527.41  28.942  441.333 4.1840 441.333 4.1840 0.000000       0.000000 
1 1 1 10 0  15 o 550.303 5.7525 2375.36  49.614  2375.36  49.614  2375.36  49.614  550.303 5.7525 550.303 5.7525 0.000000       0.000000 
1 1 1 10 0  16 o 295.193 2.9419 683.294  13.611  683.294  13.611  683.294  13.611  295.193 2.9419 295.193 2.9419 0.000000       0.000000 
1 1 1 10 0  17 o 295.886 2.9462 686.510  13.663  686.510  13.663  686.510  13.663  295.886 2.9462 295.886 2.9462 0.000000       0.000000 
1 1 1 10 0  18 o 632.063 6.5646 3134.07  65.030  3134.07  65.030  3134.07  65.030  632.063 6.5646 632.063 6.5646 0.000000       0.000000 
1 1 1 10 0  19 o 96.274  1.8875 72.739   2.8463  72.739   2.8463  72.739   2.8463  96.274  1.8875 96.274  1.8875 -0.000000      0.000000 
1 1 1 10 0  20 o 114.051 1.9381 102.052  3.4630  102.052  3.4630  102.052  3.4630  114.051 1.9381 114.051 1.9381 -0.000000      0.000000 
1 1 1 10 0  21 f 496.171 5.2194 1931.03  40.588  1931.03  40.588  1931.03  40.588  496.171 5.2194 496.171 5.2194 -0.000000      0.000000 
1 1 1 10 0  22 o 54.784  3.3021 23.784   2.8124  23.784   2.8124  23.784   2.8124  54.784  3.3021 54.784  3.3021 0.000000       0.000000 
1 1 1 10 0  23 o 253.317 3.4064 503.341  13.522  503.341  13.522  503.341  13.522  253.317 3.4064 253.317 3.4064 0.000000       0.000000 
1 1 1 10 0  24 o 82.648  2.3254 53.673   3.0075  53.673   3.0075  53.673   3.0075  82.648  2.3254 82.648  2.3254 0.000000       0.000000 
1 1 1 10 0  25 o 494.513 5.2083 1918.34  40.366  1918.34  40.366  1918.34  40.366  494.513 5.2083 494.513 5.2083 0.000000       0.000000 
1 1 1 10 0  26 o 193.260 2.7829 292.982  8.4272  292.982  8.4272  292.982  8.4272  193.260 2.7829 193.260 2.7829 -0.000000      0.000000 
1 1 1 10 0  27 o 91.558  1.9375 65.801   2.7782  65.801   2.7782  65.801   2.7782  91.558  1.9375 91.558  1.9375 0.000000       0.000000 
1 1 1 10 0  28 o 323.492 3.1794 820.683  16.120  820.683  16.120  820.683  16.120  323.492 3.1794 323.492 3.1794 0.000000       0.000000 
1 1 1 10 0  29 o 337.614 3.6742 894.061  19.441  894.061  19.441  894.061  19.441  337.614 3.6742 337.614 3.6742 0.000000       0.000000 
1 1 1 10 0  30 o 300.084 2.9823 706.228  14.026  706.228  14.026  706.228  14.026  300.084 2.9823 300.084 2.9823 0.000000       0.000000 
1 1 1 10 0  31 o 91.439  1.6311 65.605   2.3365  65.605   2.3365  65.605   2.3365  91.439  1.6311 91.439  1.6311 0.000000       0.000000 
1 1 1 10 0  32 o 11.298  5.5008 1.4727   1.1455  1.4727   1.1455  1.4727   1.1455  11.298  5.5008 11.298  5.5008 -0.000000      0.000000 
1 1 1 10 0  33 o 47.638  1.9628 17.881   1.4602  17.881   1.4602  17.881   1.4602  47.638  1.9628 47.638  1.9628 -0.000000      0.000000 
1 1 1 10 0  34 o 278.189 2.8060 606.974  12.235  606.974  12.235  606.974  12.235  278.189 2.8060 278.189 2.8060 0.000000       0.000000 
1 1 1 10 0  35 o 220.536 2.3561 381.447  8.1437  381.447  8.1437  381.447  8.1437  220.536 2.3561 220.536 2.3561 0.000000       0.000000 
1 1 1 10 0  36 o 310.939 3.0767 758.375  14.994  758.375  14.994  758.375  14.994  310.939 3.0767 310.939 3.0767 0.000000       0.000000 
1 1 1 10 0  37 o 221.359 2.1794 384.275  7.5613  384.275  7.5613  384.275  7.5613  221.359 2.1794 221.359 2.1794 0.000000       0.000000 
1 1 1 10 0  38 o 36.695  2.2801 10.679   1.3001  10.679   1.3001  10.679   1.3001  36.695  2.2801 36.695  2.2801 -0.000000      0.000000 
1 1 1 10 0  39 o 453.722 3.9345 1615.25  27.981  1615.25  27.981  1615.25  27.981  453.722 3.9345 453.722 3.9345 -0.000000      0.000000 
1 1 1 10 0  40 o 146.618 1.7372 168.598  3.9918  168.598  3.9918  168.598  3.9918  146.618 1.7372 146.618 1.7372 -0.000000      0.000000 
1 1 1 10 0  41 o 54.472  1.8150 23.339   1.5460  23.339   1.5460  23.339   1.5460  54.472  1.8150 54.472  1.8150 0.000000       0.000000 
1 1 1 10 0  42 o 72.686  1.9058 41.506   2.1682  41.506   2.1682  41.506   2.1682  72.686  1.9058 72.686  1.9058 -0.000000      0.000000 
1 1 1 10 0  43 o 140.638 1.9453 155.161  4.2870  155.161  4.2870  155.161  4.2870  140.638 1.9453 140.638 1.9453 -0.000000      0.000000 
1 1 1 10 0  44 o 120.727 2.6093 114.455  4.9332  114.455  4.9332  114.455  4.9332  120.727 2.6093 120.727 2.6093 -0.000000      0.000000 
1 1 1 10 0  45 o 185.816 2.2101 270.849  6.4360  270.849  6.4360  270.849  6.4360  185.816 2.2101 185.816 2.2101 -0.000000      0.000000 
1 1 1 10 0  46 o 12.060  6.1793 1.6723   1.4819  1.6723   1.4819  1.6723   1.4819  12.060  6.1793 12.060  6.1793 0.000000       0.000000 
1 1 1 10 0  47 o 119.980 1.8757 112.951  3.5261  112.951  3.5261  112.951  3.5261  119.980 1.8757 119.980 1.8757 -0.000000      0.000000 
1 1 1 10 0  48 o 93.990  1.6832 69.330   2.4784  69.330   2.4784  69.330   2.4784  93.990  1.6832 93.990  1.6832 0.000000       0.000000 
1 1 1 10 0  49 o 59.587  1.8557 27.922   1.7297  27.922   1.7297  27.922   1.7297  59.587  1.8557 59.587  1.8557 -0.000000      0.000000 
1 1 1 10 0  50 o 75.651  1.8316 44.957   2.1693  44.957   2.1693  44.957   2.1693  75.651  1.8316 75.651  1.8316 -0.000000      0.000000 
1 1 1 10 0  51 o 202.764 2.0622 322.552  6.5535  322.552  6.5535  322.552  6.5535  202.764 2.0622 202.764 2.0622 -0.000000      0.000000 
1 1 1 10 0  52 o 61.348  1.6349 29.576   1.5698  29.576   1.5698  29.576   1.5698  61.348  1.6349 61.348  1.6349 -0.000000      0.000000 
1 1 1 10 0  53 o 31.187  2.3339 7.7591   1.1264  7.7591   1.1264  7.7591   1.1264  31.187  2.3339 31.187  2.3339 0.000000       0.000000 
1 1 1 10 0  54 o 178.462 2.4561 250.114  6.8684  250.114  6.8684  250.114  6.8684  178.462 2.4561 178.462 2.4561 0.000000       0.000000 
1 1 1 10 0  55 o 53.362  1.6278 22.397   1.3588  22.397   1.3588  22.397   1.3588  53.362  1.6278 53.362  1.6278 -0.000000      0.000000 
1 1 1 10 0  56 o 67.132  1.4715 35.398   1.5470  35.398   1.5470  35.398   1.5470  67.132  1.4715 67.132  1.4715 0.000000       0.000000 
1 1 1 10 0  57 o 81.812  2.4200 52.701   3.0977  52.701   3.0977  52.701   3.0977  81.812  2.4200 81.812  2.4200 0.000000       0.000000 
1 1 1 10 0  58 o 68.776  2.1819 37.252   2.3471  37.252   2.3471  37.252   2.3471  68.776  2.1819 68.776  2.1819 -0.000000      0.000000 
1 1 1 10 0  59 o 13.685  7.1134 2.1848   1.9824  2.1848   1.9824  2.1848   1.9824  13.685  7.1134 13.685  7.1134 0.000000       0.000000 
1 1 1 10 0  60 o 63.177  2.2237 31.469   2.1962  31.469   2.1962  31.469   2.1962  63.177  2.2237 63.177  2.2237 0.000000       0.000000 
1 1 1 10 0  61 o 9.9523  5.7336 0.9948   1.4375  0.9948   1.4375  0.9948   1.4375  9.9523  5.7336 9.9523  5.7336 0.000000       0.000000 
1 1 1 10 0  62 o 44.746  2.5512 15.899   1.7763  15.899   1.7763  15.899   1.7763  44.746  2.5512 44.746  2.5512 0.000000       0.000000 
1 1 1 10 0  63 o 60.855  3.4181 29.492   3.2373  29.492   3.2373  29.492   3.2373  60.855  3.4181 60.855  3.4181 0.000000       0.000000 
1 1 1 10 0  64 o 147.850 4.6914 174.153  10.849  174.153  10.849  174.153  10.849  147.850 4.6914 147.850 4.6914 -0.000000      0.000000 
1 1 1 10 0  65 o 49.113  3.8851 19.443   2.9482  19.443   2.9482  19.443   2.9482  49.113  3.8851 49.113  3.8851 -0.000000      0.000000 
1 1 1 10 0  66 o 15.605  6.5538 2.7550   1.6121  2.7550   1.6121  2.7550   1.6121  15.605  6.5538 15.605  6.5538 -0.000000      0.000000 
1 1 1 10 0  67 o 17.254  5.4419 2.9774   1.2936  2.9774   1.2936  2.9774   1.2936  17.254  5.4419 17.254  5.4419 -0.000000      0.000000 
1 1 1 10 0  68 o 7.0569  4.5733 -0.0316  1.1988  -0.0316  1.1988  -0.0316  1.1988  7.0569  4.5733 7.0569  4.5733 -0.000000      0.000000 
1 1 1 10 0  69 o 7.0369  4.5689 -0.0460  1.2040  -0.0460  1.2040  -0.0460  1.2040  7.0369  4.5689 7.0369  4.5689 0.000000       0.000000 
1 1 1 10 0  70 o 20.314  4.5509 3.7361   1.2654  3.7361   1.2654  3.7361   1.2654  20.314  4.5509 20.314  4.5509 -0.000000      0.000000 
1 1 1 10 0  71 o 88.432  1.8387 61.625   2.5465  61.625   2.5465  61.625   2.5465  88.432  1.8387 88.432  1.8387 -0.000000      0.000000 
1 1 1 10 0  72 o 47.697  2.0131 18.024   1.4991  18.024   1.4991  18.024   1.4991  47.697  2.0131 47.697  2.0131 -0.000000      0.000000 
1 1 1 10 0  73 o 72.578  1.6417 41.520   1.8658  41.520   1.8658  41.520   1.8658  72.578  1.6417 72.578  1.6417 0.000000       0.000000 
1 1 1 10 0  74 o 9.2411  5.8484 0.4142   1.8210  0.4142   1.8210  0.4142   1.8210  9.2411  5.8484 9.2411  5.8484 0.000000       0.000000 
1 1 1 10 0  75 o 17.926  7.0934 3.6975   1.9195  3.6975   1.9195  3.6975   1.9195  17.926  7.0934 17.926  7.0934 0.000000       0.000000 
1 1 1 10 0  76 o 31.264  4.3894 8.3836   2.0296  8.3836   2.0296  8.3836   2.0296  31.264  4.3894 31.264  4.3894 -0.000000      0.000000 
1 1 1 10 0  77 o 9.9779  6.1112 0.8833   1.8297  0.8833   1.8297  0.8833   1.8297  9.9779  6.1112 9.9779  6.1112 -0.000000      0.000000 
1 1 1 10 0  78 o 18.386  8.3539 4.3952   2.6049  4.3952   2.6049  4.3952   2.6049  18.386  8.3539 18.386  8.3539 0.000000       0.000000 
1 1 1 10 0  79 o 11.126  7.0076 0.9948   2.5796  0.9948   2.5796  0.9948   2.5796  11.126  7.0076 11.126  7.0076 -0.000000      0.000000 
1 1 1 10 0  80 o 18.649  8.3601 4.5636   2.6069  4.5636   2.6069  4.5636   2.6069  18.649  8.3601 18.649  8.3601 -0.000000      0.000000 
1 1 1 10 0  81 o 10.487  6.7195 0.6958   2.4939  0.6958   2.4939  0.6958   2.4939  10.487  6.7195 10.487  6.7195 -0.000000      0.000000 
1 1 1 10 0  82 o 10.867  6.9386 0.9031   2.6305  0.9031   2.6305  0.9031   2.6305  10.867  6.9386 10.867  6.9386 -0.000000      0.000000 
1 1 1 10 0  83 o 69.360  4.9802 41.686   5.3510  41.686   5.3510  41.686   5.3510  69.360  4.9802 69.360  4.9802 0.000000       0.000000 
1 1 1 10 0  84 o 19.304  9.7074 6.0358   3.6176  6.0358   3.6176  6.0358   3.6176  19.304  9.7074 19.304  9.7074 0.000000       0.000000 
1 1 1 10 1  0  o 186.249 2.3896 272.051  6.9743  272.051  6.9743  272.051  6.9743  186.249 2.3896 186.249 2.3896 -0.000000      0.000000 
1 1 1 10 1  1  o 276.083 1.9812 597.502  8.5749  610.472  12.372  585.510  11.896  279.052 2.8281 273.288 2.7766 5.764038       3.963293 
1 1 1 10 1  2  o 608.089 4.0038 2899.37  38.168  2856.63  53.140  2944.91  54.855  603.494 5.6169 612.741 5.7106 -9.247253      8.010046 
1 1 1 10 1  3  o 604.299 3.9774 2863.32  37.679  2848.65  52.993  2878.32  53.585  602.651 5.6091 605.779 5.6425 -3.127686      7.956179 
1 1 1 10 1  4  o 237.919 1.7663 443.721  6.5879  447.409  9.3881  440.144  9.2469  238.898 2.5068 236.951 2.4893 1.947144       3.532793 
1 1 1 10 1  5  o 782.766 4.8705 4805.11  59.767  4779.14  80.482  4837.03  89.240  780.489 6.5777 785.125 7.2505 -4.636536      9.789618 
1 1 1 10 1  6  o 475.242 3.0242 1770.67  22.531  1787.24  30.805  1751.61  33.038  477.422 4.1159 472.624 4.4591 4.797607       6.068329 
1 1 1 10 1  7  o 538.429 3.4047 2272.93  28.738  2314.89  39.644  2226.46  41.719  543.318 4.6544 532.821 4.9946 10.49725       6.827145 
1 1 1 10 1  8  o 108.273 1.2917 91.892   2.1925  92.370   2.9456  91.298   3.2831  108.552 1.7309 107.920 1.9406 0.6322556      2.600392 
1 1 1 10 1  9  o 349.258 2.2928 956.236  12.554  974.253  17.313  936.260  18.229  352.516 3.1328 345.569 3.3650 6.947510       4.597565 
1 1 1 10 1  10 o 512.617 3.2446 2060.19  26.074  2081.25  35.688  2036.06  38.188  515.181 4.4188 509.540 4.7808 5.641235       6.510117 
1 1 1 10 1  11 o 583.353 3.6674 2668.17  33.539  2661.78  45.314  2675.91  49.874  582.584 4.9616 584.097 5.4467 -1.512939      7.367803 
1 1 1 10 1  12 o 631.078 3.9550 3122.79  39.127  3224.78  54.743  3016.26  55.946  641.200 5.4460 620.099 5.7551 21.10138       7.923409 
1 1 1 10 1  13 o 209.671 1.6214 344.609  5.3295  347.455  6.9201  340.459  8.3554  210.531 2.0967 208.395 2.5575 2.135178       3.307166 
1 1 1 10 1  14 o 158.004 1.3122 195.693  3.2503  198.584  4.4418  192.361  4.7689  159.164 1.7802 156.649 1.9420 2.514526       2.634433 
1 1 1 10 1  15 o 271.124 1.9516 576.232  8.2949  590.530  12.015  563.212  11.466  274.454 2.7926 268.032 2.7287 6.422089       3.904412 
1 1 1 10 1  16 o 225.008 1.6171 396.868  5.7041  408.642  7.9197  384.177  8.2224  228.315 2.2127 221.373 2.3693 6.941727       3.241850 
1 1 1 10 1  17 o 161.482 1.3251 204.404  3.3544  199.508  4.4652  210.746  5.0821  159.533 1.7854 163.963 1.9772 -4.430450      2.664004 
1 1 1 10 1  18 o 229.904 1.8182 414.338  6.5529  414.926  8.7927  413.603  9.8278  230.059 2.4380 229.688 2.7294 0.3714600      3.659681 
1 1 1 10 1  19 o 351.812 2.3065 970.299  12.721  973.381  17.276  966.649  18.800  352.349 3.1277 351.120 3.4154 1.229279       4.631120 
1 1 1 10 1  20 o 226.407 1.6272 401.824  5.7754  409.348  7.9534  393.430  8.4003  228.510 2.2202 224.020 2.3920 4.489578       3.263556 
1 1 1 10 1  21 o 248.798 1.7422 485.238  6.7951  479.448  9.0966  492.547  10.221  247.300 2.3464 250.651 2.6011 -3.351044      3.503043 
1 1 1 10 1  22 o 309.568 2.1735 751.273  10.548  759.354  15.073  743.518  14.766  311.205 3.0896 307.944 3.0587 3.261139       4.347543 
1 1 1 10 1  23 o 332.938 2.3101 869.009  12.057  872.830  17.134  865.262  16.970  333.640 3.2760 332.190 3.2586 1.449127       4.620643 
1 1 1 10 1  24 o 28.577  2.2091 6.4408   0.9820  5.7468   1.3809  7.1507   1.3967  26.864  3.3519 30.049  3.0053 -3.185736      4.501902 
1 1 1 10 1  25 o 426.771 3.0348 1428.12  20.304  1417.07  27.028  1442.42  30.760  425.060 4.0562 428.809 4.5758 -3.748627      6.114768 
1 1 1 10 1  26 o 408.940 3.0939 1311.33  19.834  1282.84  27.359  1342.90  28.796  404.399 4.3155 413.747 4.4397 -9.347931      6.191472 
1 1 1 10 1  27 o 329.958 2.5702 853.631  13.295  847.418  16.651  864.558  22.082  328.727 3.2311 331.978 4.2430 -3.251343      5.333193 
1 1 1 10 1  28 o 71.675  1.4158 40.271   1.5909  40.776   1.9807  39.354   2.6704  72.120  1.7519 70.847  2.4043 1.273460       2.974904 
1 1 1 10 1  29 o 52.731  1.6176 21.798   1.3372  21.854   1.6804  21.701   2.2079  52.797  2.0303 52.538  2.6898 0.2585983      3.369981 
1 1 1 10 1  30 o 329.343 2.7471 850.580  14.183  862.966  18.960  834.841  21.373  331.676 3.6464 326.186 4.1796 5.490082       5.546707 
1 1 1 10 1  31 o 115.224 1.3209 104.079  2.3860  102.311  3.1602  106.422  3.6387  114.237 1.7646 116.506 1.9923 -2.269127      2.661406 
1 1 1 10 1  32 o 254.057 1.7793 506.040  7.0863  506.998  10.523  505.245  9.5857  254.262 2.6400 253.832 2.4089 0.4293060      3.573853 
1 1 1 10 1  33 o 135.228 1.2546 143.352  2.6597  145.186  3.9764  141.868  3.5778  136.080 1.8640 134.520 1.6966 1.560608       2.520460 
1 1 1 10 1  34 o 535.766 3.2458 2251.79  27.262  2250.30  38.519  2253.29  38.588  535.370 4.5896 535.724 4.5947 -0.3539429     6.494266 
1 1 1 10 1  35 f 47.056  1.3354 17.358   0.9851  17.772   1.3591  16.901   1.4299  47.610  1.8210 46.427  1.9646 1.182167       2.678737 
1 1 1 10 1  36 f 32.671  1.6964 8.3912   0.8659  9.6021   1.2252  7.1831   1.2238  34.920  2.2501 30.150  2.6151 4.770252       3.449870 
1 1 1 10 1  37 o 38.845  1.5360 11.830   0.9353  10.394   1.2780  13.487   1.3726  36.336  2.2546 41.418  2.1211 -5.081409      3.095557 
1 1 1 10 1  38 o 192.432 1.4103 290.306  4.2545  289.454  5.9672  291.188  6.0677  192.133 1.9811 192.706 2.0085 -0.5735931     2.821184 
1 1 1 10 1  39 o 230.075 1.5867 415.017  5.7228  404.980  7.8841  426.195  8.3200  227.251 2.2131 233.124 2.2766 -5.873322      3.174967 
1 1 1 10 1  40 o 202.341 1.5311 320.991  4.8566  324.516  7.2324  318.095  6.5542  203.422 2.2679 201.407 2.0758 2.014282       3.074513 
1 1 1 10 1  41 o 142.511 1.3632 159.222  3.0454  151.642  4.7416  164.544  3.9733  139.057 2.1751 144.864 1.7496 -5.807449      2.791455 
1 1 1 10 1  42 o 286.957 1.9772 645.716  8.8943  637.622  13.118  652.602  12.100  285.080 2.9352 288.432 2.6761 -3.352051      3.972053 
1 1 1 10 1  43 o 114.807 1.2490 103.332  2.2479  106.318  3.5171  101.271  2.9228  116.439 1.9268 113.648 1.6405 2.790855       2.530567 
1 1 1 10 1  44 o 95.995  1.2797 72.246   1.9258  71.858   3.1652  72.474   2.4266  95.721  2.1093 96.141  1.6100 -0.4200363     2.653563 
1 1 1 10 1  45 o 104.498 1.3791 85.615   2.2592  84.394   3.4790  86.506   2.9709  103.732 2.1394 105.031 1.8043 -1.298927      2.798667 
1 1 1 10 1  46 o 166.781 1.5471 218.106  4.0450  220.637  6.2373  216.268  5.3141  167.708 2.3724 166.057 2.0414 1.651306       3.129761 
1 1 1 10 1  47 o 87.850  1.2847 60.508   1.7693  59.146   2.5254  61.822   2.4796  86.843  1.8550 88.787  1.7815 -1.944557      2.571896 
1 1 1 10 1  48 o 176.601 1.5720 244.565  4.3522  245.091  5.3091  243.486  7.5993  176.773 1.9158 176.134 2.7522 0.6387024      3.353312 
1 1 1 10 1  49 o 247.009 2.0462 478.629  7.9236  485.023  10.066  468.211  12.848  248.595 2.5829 244.141 3.3570 4.453613       4.235614 
1 1 1 10 1  50 o 76.691  1.3553 46.120   1.6295  46.427   1.8909  45.235   3.2120  76.941  1.5676 75.907  2.6992 1.034180       3.121440 
1 1 1 10 1  51 f 58.806  1.4465 27.120   1.3335  27.350   1.5502  26.465   2.6146  59.050  1.6746 58.046  2.8733 1.003746       3.325698 
1 1 1 10 1  52 o 64.084  1.3119 32.206   1.3179  32.430   1.5836  31.702   2.3773  64.300  1.5710 63.544  2.3864 0.7554779      2.857100 
1 1 1 10 1  53 o 125.243 1.3116 123.021  2.5752  120.840  3.0886  127.993  4.6643  124.112 1.5874 127.671 2.3305 -3.559021      2.819744 
1 1 1 10 1  54 o 104.169 1.2895 85.109   2.1057  85.156   2.4397  84.970   4.1697  104.187 1.4937 103.989 2.5578 0.1984787      2.962002 
1 1 1 10 1  55 o 132.391 1.3204 137.487  2.7405  138.354  3.3330  135.679  4.8151  132.784 1.6012 131.414 2.3373 1.370682       2.833131 
1 1 1 10 1  56 o 59.588  1.5852 27.865   1.4809  29.958   2.4557  26.670   1.8563  61.727  2.5378 58.274  2.0320 3.453495       3.251065 
1 1 1 10 1  57 o 90.619  1.2729 64.422   1.8082  66.359   2.9812  63.294   2.2743  91.907  2.0692 89.799  1.6156 2.107788       2.625180 
1 1 1 10 1  58 o 90.302  1.3246 63.982   1.8752  62.751   3.3493  64.544   2.2631  89.327  2.3918 90.677  1.5921 -1.350266      2.873187 
1 1 1 10 1  59 o 11.905  3.7573 1.1049   0.7840  0.9476   1.5302  1.1609   0.9130  13.380  5.1586 12.374  4.0676 1.005883       6.569379 
1 1 1 10 1  60 o 87.022  1.4859 59.448   2.0270  59.145   2.8066  59.778   2.9308  86.740  2.0640 87.193  2.1441 -0.4530258     2.976104 
1 1 1 10 1  61 o 70.977  1.5346 39.556   1.7075  42.039   2.4068  37.039   2.4229  73.117  2.0997 68.614  2.2525 4.502449       3.079403 
1 1 1 10 1  62 f 32.554  2.7638 8.4155   1.3971  10.214   2.5396  7.6348   1.6731  35.506  4.6763 30.866  3.5207 4.640213       5.853415 
1 1 1 10 1  63 o 13.334  4.8515 1.1734   1.3134  3.0230   2.3270  0.3087   1.5910  19.671  6.4953 12.171  5.0579 7.500130       8.232333 
1 1 1 10 1  64 o 52.521  2.4770 21.739   2.0394  22.731   4.1881  21.430   2.3349  53.017  5.1020 52.020  2.8743 0.9968987      5.855950 
1 1 1 10 1  65 o 60.407  1.5828 28.670   1.4989  30.291   2.4179  27.658   1.9102  61.983  2.4883 59.283  2.0554 2.699867       3.227429 
1 1 1 10 1  66 o 83.713  1.3436 55.031   1.7633  53.880   2.5148  56.143   2.4730  82.751  1.9386 84.482  1.8673 -1.731216      2.691610 
1 1 1 10 1  67 o 63.637  1.4072 31.812   1.4038  32.089   2.0009  31.543   1.9701  63.842  1.9992 63.299  1.9854 0.5432320      2.817552 
1 1 1 10 1  68 o 58.520  1.4304 26.909   1.3122  27.510   1.8529  26.305   1.8586  59.100  1.9999 57.784  2.0517 1.316120       2.865207 
1 1 1 10 1  69 o 15.150  3.7872 1.9040   0.8970  3.0915   1.2278  0.5446   1.3137  19.281  4.1823 11.666  4.6910 7.614618       6.284653 
1 1 1 10 1  70 o 80.373  1.4120 50.783   1.7791  50.170   2.3205  51.657   2.7712  79.803  1.8549 80.898  2.1851 -1.095482      2.866230 
1 1 1 10 1  71 f 13.450  4.1998 1.4529   0.9824  1.5195   1.1343  1.2532   1.9649  13.896  4.5323 14.954  5.8230 -1.057656      7.378990 
1 1 1 10 1  72 o 27.164  2.0317 5.8583   0.8589  5.0049   1.1322  7.0151   1.3182  24.909  2.9573 29.564  2.8809 -4.655264      4.128625 
1 1 1 10 1  73 o 24.031  3.0959 4.6836   1.1392  6.1704   2.4587  4.2773   1.2855  26.647  6.0270 22.777  3.7292 3.870239       7.087417 
1 1 1 10 1  74 o 8.9943  3.9191 -0.1390  1.0374  -2.1533  2.1631  0.4628   1.1822  10.593  4.9973 10.922  4.4295 -0.3284569     6.677839 
1 1 1 10 1  75 o 28.186  2.5578 6.3754   1.1179  4.4871   2.4330  6.8807   1.2586  22.460  6.5234 29.231  2.7801 -6.770092      7.091072 
1 1 1 10 1  76 o 21.241  3.2320 3.7090   1.0423  0.7847   2.2876  4.4750   1.1709  14.588  6.0639 23.354  3.2892 -8.765872      6.898567 
1 1 1 10 1  77 o 55.326  1.5819 24.163   1.3720  18.766   2.9061  25.711   1.5564  47.764  3.9155 57.029  1.7409 -9.264774      4.285072 
1 1 1 10 1  78 f 22.207  4.7907 4.2666   1.6188  7.5107   2.7380  2.5230   2.0073  28.883  6.2299 17.435  6.0315 11.44794       8.671271 
1 1 1 10 1  79 o 22.887  4.7855 4.5372   1.6617  7.6710   2.7150  2.6599   2.1013  29.193  6.1277 17.794  6.1703 11.39881       8.696059 
1 1 1 10 1  80 o 25.360  5.6827 5.7508   2.2033  11.374   2.7788  -3.7693  3.6157  36.372  5.0061 13.006  6.2270 23.36587       7.989780 
1 1 1 10 1  81 f 23.694  5.9338 5.1117   2.1993  4.0308   2.6792  7.3446   3.8508  20.931  6.9724 26.988  8.2967 -6.057087      10.83744 
1 1 1 10 1  82 o 28.983  5.4603 7.4886   2.3899  9.6716   3.0448  3.9854   3.8571  32.498  6.2027 21.136  8.1785 11.36281       10.26457 
1 1 1 10 1  83 f 24.589  5.9451 5.6079   2.2665  7.2605   2.7864  2.3766   3.8963  27.653  6.5318 18.777  7.8684 8.875906       10.22623 
1 1 1 10 1  84 o 13.961  5.8271 0.9237   2.1247  1.0657   2.6380  0.6615   3.5848  15.147  6.4173 16.197  7.1631 -1.050082      9.617276 
1 1 1 10 2  0  o 218.454 2.3672 374.217  8.1047  374.217  8.1047  374.217  8.1047  218.454 2.3672 218.454 2.3672 -0.000000      0.000000 
1 1 1 10 2  1  o 294.654 2.0908 680.595  9.6579  659.474  13.250  704.536  14.107  290.034 2.9142 299.777 3.0018 -9.743469      4.183678 
1 1 1 10 2  2  f 432.371 2.9115 1465.60  19.734  1454.71  27.699  1476.83  28.123  430.724 4.1021 433.985 4.1336 -3.261536      5.823591 
1 1 1 10 2  3  o 341.475 2.3672 914.101  12.672  921.727  18.081  906.739  17.765  342.876 3.3638 340.078 3.3322 2.798462       4.734859 
1 1 1 10 2  4  o 89.018  1.2486 62.114   1.7424  64.123   2.4936  60.198   2.4356  90.444  1.7587 87.632  1.7729 2.812065       2.497282 
1 1 1 10 2  5  o 622.526 4.5847 3039.02  44.743  2969.16  61.703  3116.49  64.976  615.198 6.3979 630.261 6.5762 -15.06268      9.174955 
1 1 1 10 2  6  f 849.750 5.5370 5663.60  73.759  5779.10  106.500 5557.14  102.252 858.074 7.9172 841.458 7.7515 16.61627       11.08006 
1 1 1 10 2  7  o 415.204 2.6797 1351.50  17.442  1365.73  23.831  1335.07  25.597  417.357 3.6424 412.636 3.9570 4.721161       5.378145 
1 1 1 10 2  8  o 487.604 3.1017 1864.03  23.709  1923.08  33.127  1802.02  33.948  495.219 4.2670 479.366 4.5175 15.85278       6.214119 
1 1 1 10 2  9  o 608.125 3.8176 2899.71  36.394  2874.29  48.832  2931.47  54.586  605.371 5.1455 611.321 5.6959 -5.949707      7.675891 
1 1 1 10 2  10 o 242.194 1.7113 459.810  6.4976  463.114  8.8553  455.957  9.5636  243.055 2.3241 241.167 2.5296 1.888062       3.435111 
1 1 1 10 2  11 o 274.887 1.8076 592.334  7.7896  596.950  10.270  586.083  11.952  275.949 2.3742 273.418 2.7885 2.530121       3.662248 
1 1 1 10 2  12 o 432.307 2.6604 1465.15  18.030  1438.74  23.185  1505.56  28.677  428.368 3.4525 438.175 4.1748 -9.806549      5.417433 
1 1 1 10 2  13 o 375.612 2.3446 1106.02  13.806  1108.07  18.108  1103.15  21.336  375.944 3.0725 375.091 3.6284 0.8527222      4.754560 
1 1 1 10 2  14 o 174.314 1.5412 238.186  4.2116  239.544  5.1529  235.452  7.3095  174.808 1.8804 173.301 2.6905 1.507355       3.282465 
1 1 1 10 2  15 o 520.888 3.3000 2127.32  26.947  2113.32  36.260  2144.58  40.273  519.112 4.4557 522.908 4.9128 -3.795898      6.632403 
1 1 1 10 2  16 o 255.070 1.7074 510.005  6.8272  505.413  8.8687  516.684  10.696  253.912 2.2280 256.720 2.6578 -2.808548      3.468161 
1 1 1 10 2  17 o 408.030 2.6363 1305.24  16.863  1314.92  23.001  1293.99  24.797  409.507 3.5828 406.223 3.8938 3.284454       5.291387 
1 1 1 10 2  18 o 103.916 1.1955 84.646   1.9475  82.834   2.4132  88.030   3.2978  102.797 1.4975 105.969 1.9852 -3.172821      2.486625 
1 1 1 10 2  19 o 345.364 2.2804 935.068  12.346  926.223  16.562  946.129  18.522  343.705 3.0739 347.368 3.4013 -3.662842      4.584463 
1 1 1 10 2  20 o 217.858 1.5282 372.050  5.2194  373.395  6.8525  370.192  8.0552  218.246 2.0028 217.302 2.3646 0.9434509      3.098837 
1 1 1 10 2  21 o 285.113 1.9461 637.252  8.6984  624.606  11.560  653.756  13.206  282.256 2.6126 288.759 2.9174 -6.503387      3.916212 
1 1 1 10 2  22 o 543.516 3.2886 2316.39  28.021  2322.82  36.792  2307.51  43.239  544.197 4.3126 542.333 5.0858 1.864258       6.668080 
1 1 1 10 2  23 o 271.476 1.8725 577.753  7.9690  570.832  9.8779  590.652  13.486  269.835 2.3351 274.458 3.1345 -4.622314      3.908714 
1 1 1 10 2  24 o 650.637 3.9019 3320.20  39.798  3328.55  52.249  3308.65  61.425  651.313 5.1172 649.231 6.0352 2.081787       7.912635 
1 1 1 10 2  25 o 287.961 1.8743 650.065  8.4610  644.844  10.996  657.645  13.248  286.787 2.4457 289.603 2.9181 -2.816406      3.807478 
1 1 1 10 2  26 o 157.893 1.3797 195.429  3.4151  195.426  4.7997  195.432  4.8604  157.885 1.9392 157.887 1.9637 -0.2319336E-02 2.759787 
1 1 1 10 2  27 o 153.919 1.2541 185.715  3.0261  183.064  3.9244  189.602  4.7526  152.813 1.6382 155.513 1.9494 -2.700409      2.546358 
1 1 1 10 2  28 o 301.556 1.9537 712.943  9.2358  721.467  13.183  704.727  12.943  303.320 2.7725 299.781 2.7540 3.538696       3.907847 
1 1 1 10 2  29 o 243.950 1.7262 466.559  6.6014  465.369  8.9263  467.996  9.8074  243.620 2.3373 244.299 2.5608 -0.6784515     3.467069 
1 1 1 10 2  30 o 133.253 1.2414 139.195  2.5931  133.774  3.6921  144.473  3.6429  130.625 1.8030 135.750 1.7118 -5.124573      2.486181 
1 1 1 10 2  31 o 347.355 2.2995 946.109  12.522  947.643  16.919  944.252  18.619  347.581 3.1051 346.931 3.4234 0.6490479      4.621845 
1 1 1 10 2  32 o 429.670 2.9110 1448.00  19.608  1452.06  25.300  1441.89  31.026  430.181 3.7516 428.556 4.6181 1.625000       5.949959 
1 1 1 10 2  33 o 107.694 1.2117 90.920   2.0457  89.069   2.4634  95.034   3.6721  106.589 1.4743 110.091 2.1277 -3.501419      2.588552 
1 1 1 10 2  34 o 349.204 2.3151 956.261  12.673  951.171  15.733  965.666  21.387  348.231 2.8820 350.774 3.8893 -2.543457      4.840751 
1 1 1 10 2  35 o 48.880  1.6132 18.732   1.2361  18.858   1.5310  18.497   2.0951  49.041  1.9914 48.483  2.7680 0.5579414      3.409975 
1 1 1 10 2  36 o 286.553 1.9691 643.850  8.8454  653.742  12.121  632.581  12.937  288.704 2.6782 283.977 2.9061 4.727112       3.951933 
1 1 1 10 2  37 o 51.613  1.4838 20.884   1.2006  20.339   1.8160  21.308   1.6001  50.928  2.2746 52.129  1.9580 -1.201401      3.001276 
1 1 1 10 2  38 f 121.344 1.3064 115.433  2.4851  111.072  3.8785  118.470  3.2369  119.015 2.0788 122.924 1.6798 -3.908852      2.672615 
1 1 1 10 2  39 o 206.964 1.6431 335.838  5.3311  332.092  8.3741  338.392  6.9130  205.765 2.5960 207.731 2.1228 -1.965500      3.353470 
1 1 1 10 2  40 o 137.765 1.4280 148.798  3.0840  154.427  4.7692  144.752  4.0430  140.328 2.1679 135.868 1.8982 4.459259       2.881495 
1 1 1 10 2  41 o 166.935 1.7143 218.503  4.4864  214.339  6.0165  223.719  6.7332  165.314 2.3215 168.883 2.5432 -3.568558      3.443461 
1 1 1 10 2  42 o 160.203 1.5690 201.228  3.9404  201.096  5.1042  201.424  6.1993  160.135 2.0332 160.247 2.4677 -0.1126251     3.197463 
1 1 1 10 2  43 o 243.626 1.9175 465.444  7.3233  462.465  9.0468  471.108  12.473  242.816 2.3766 245.000 3.2476 -2.184570      4.024334 
1 1 1 10 2  44 o 73.458  1.4284 42.308   1.6450  42.794   2.2128  41.707   2.4593  73.871  1.9108 72.922  2.1513 0.9493561      2.877367 
1 1 1 10 2  45 o 109.730 1.3599 94.403   2.3393  95.960   3.4669  93.101   3.1695  110.614 1.9993 108.958 1.8555 1.655952       2.727697 
1 1 1 10 2  46 o 39.342  1.8860 12.139   1.1632  14.598   1.7892  10.338   1.5308  43.050  2.6642 36.194  2.7177 6.855339       3.805819 
1 1 1 10 2  47 o 128.812 1.3124 130.096  2.6502  131.449  3.8401  128.865  3.6622  129.459 1.8922 128.184 1.8225 1.275772       2.627104 
1 1 1 10 2  48 o 87.632  1.3357 60.213   1.8349  60.086   2.5349  60.354   2.6595  87.525  1.8475 87.717  1.9340 -0.1922531     2.674639 
1 1 1 10 2  49 o 239.355 1.9106 449.417  7.1692  458.471  10.778  442.233  9.6012  241.639 2.8453 237.358 2.5803 4.281006       3.841021 
1 1 1 10 2  50 o 59.257  1.3237 27.535   1.2296  26.338   1.5876  29.330   1.9440  57.945  1.7477 61.140  2.0282 -3.194561      2.677319 
1 1 1 10 2  51 o 136.155 1.2461 145.372  2.6597  147.705  3.6233  142.646  3.9166  137.218 1.6844 134.837 1.8529 2.381561       2.504059 
1 1 1 10 2  52 o 66.174  1.2816 34.343   1.3295  34.557   1.6385  33.929   2.2749  66.371  1.5747 65.741  2.2074 0.6306686      2.711488 
1 1 1 10 2  53 f 92.470  1.4599 67.076   2.1163  66.266   3.0135  67.864   2.9729  91.872  2.0923 92.977  2.0396 -1.104576      2.921972 
1 1 1 10 2  54 o 57.522  1.3615 25.956   1.2278  26.264   1.3915  24.872   2.6088  57.857  1.5342 56.149  2.9743 1.708008       3.346708 
1 1 1 10 2  55 o 124.068 1.2511 120.744  2.4333  121.428  3.0499  119.546  4.0361  124.394 1.5640 123.371 2.0869 1.022522       2.607893 
1 1 1 10 2  56 o 77.070  1.1267 46.589   1.3613  46.984   1.6357  45.698   2.4555  77.386  1.3483 76.271  2.0536 1.114174       2.456668 
1 1 1 10 2  57 o 110.239 1.4631 95.373   2.5286  95.818   3.6180  94.948   3.5353  110.426 2.0900 109.929 2.0515 0.4973297      2.928556 
1 1 1 10 2  58 o 19.175  3.5371 2.9947   1.0241  3.2202   1.5069  2.8011   1.3960  19.739  4.8939 18.433  4.7879 1.305452       6.846442 
1 1 1 10 2  59 o 48.233  1.7347 18.272   1.3117  20.472   1.8221  15.906   1.8898  51.017  2.2783 44.857  2.7000 6.159363       3.532735 
1 1 1 10 2  60 o 38.047  1.8782 11.375   1.1202  11.728   1.6120  11.046   1.5579  38.488  2.6885 37.348  2.6786 1.139874       3.795153 
1 1 1 10 2  61 o 90.547  1.2520 64.342   1.7771  62.413   2.6708  65.875   2.3806  89.107  1.9119 91.577  1.6582 -2.470093      2.530868 
1 1 1 10 2  62 o 64.842  1.3500 33.005   1.3723  29.819   2.7345  34.078   1.5866  61.476  2.8374 65.872  1.5364 -4.396660      3.226637 
1 1 1 10 2  63 o 68.189  1.2512 36.496   1.3375  33.541   2.5808  37.581   1.5639  65.234  2.5237 69.179  1.4421 -3.945740      2.906610 
1 1 1 10 2  64 o 41.476  2.3687 13.598   1.5338  13.209   2.0679  14.075   2.2867  40.721  3.2668 41.993  3.5056 -1.271774      4.791769 
1 1 1 10 2  65 o 35.214  2.1574 9.8013   1.1852  10.187   1.5496  9.2579   1.8399  35.806  2.7825 33.985  3.5037 1.820957       4.474199 
1 1 1 10 2  66 o 22.524  2.9715 4.0822   1.0236  4.2590   1.4195  3.8907   1.4776  22.766  4.1293 21.660  4.4985 1.105913       6.106367 
1 1 1 10 2  67 o 58.654  1.4329 27.031   1.3175  28.144   1.7640  25.627   1.9814  59.797  1.8818 57.014  2.2169 2.782612       2.907879 
1 1 1 10 2  68 o 72.628  1.3417 41.442   1.5276  41.679   2.0373  41.138   2.3088  72.770  1.7859 72.251  2.0384 0.5184479      2.710033 
1 1 1 10 2  69 o 65.124  1.3658 33.332   1.3944  32.881   1.8516  33.922   2.1195  64.615  1.8279 65.587  2.0614 -0.9721832     2.755109 
1 1 1 10 2  70 o 20.325  2.8391 3.3397   0.8799  3.5547   1.1386  3.0211   1.3864  20.799  3.6238 18.945  4.6926 1.854584       5.928892 
1 1 1 10 2  71 o 40.156  1.6221 12.697   1.0211  11.367   1.2756  15.069   1.7038  37.869  2.1576 43.540  2.5068 -5.671219      3.307396 
1 1 1 10 2  72 o 16.244  3.1675 2.1770   0.7776  1.4596   0.9457  3.6749   1.3665  13.398  4.1104 20.930  4.3084 -7.532427      5.954637 
1 1 1 10 2  73 o 53.531  1.7904 22.614   1.5025  20.424   2.5141  23.830   1.8740  50.407  3.1981 54.863  2.1789 -4.455837      3.869786 
1 1 1 10 2  74 o 17.848  4.1608 2.6958   1.1427  2.1632   1.9732  2.9646   1.4016  16.748  5.9652 18.607  4.7797 -1.859680      7.643888 
1 1 1 10 2  75 o 33.122  2.6766 8.8117   1.3779  8.1580   2.1026  9.3038   1.8243  31.225  4.4188 33.761  3.4976 -2.536074      5.635513 
1 1 1 10 2  76 o 24.368  4.2484 5.0073   1.5639  3.4235   2.3276  6.3108   2.1116  19.817  6.4938 27.019  5.1737 -7.202307      8.302794 
1 1 1 10 2  77 o 22.932  3.3647 4.3401   1.1736  1.4448   2.2630  5.4054   1.3727  15.580  6.1932 25.586  3.5152 -10.00565      7.121214 
1 1 1 10 2  78 o 34.603  2.5721 9.6276   1.3853  9.3945   4.1925  9.6562   1.4677  30.765  8.4390 34.600  2.7280 -3.835337      8.868990 
1 1 1 10 2  79 o 17.294  4.5711 2.5920   1.2581  5.8977   4.0637  2.2415   1.3231  24.579  8.5773 16.147  4.8425 8.432085       9.849882 
1 1 1 10 2  80 o 9.3098  3.9778 0.0662   1.0287  -3.4035  2.2137  1.0219   1.1618  9.5594  4.6484 12.188  4.5406 -2.628237      6.498008 
1 1 1 10 2  81 o 16.554  4.6126 2.3890   1.2417  5.3274   4.3994  2.1347   1.2943  23.361  8.8093 15.725  4.8060 7.635561       10.03498 
1 1 1 10 2  82 f 34.820  4.0121 10.218   2.1500  11.222   3.1426  9.3336   2.9478  35.180  5.9078 31.864  6.1237 3.315084       8.508904 
1 1 1 10 2  83 o 30.645  4.3300 8.0813   2.0222  5.3280   2.7852  11.151   2.9409  23.213  7.0405 35.183  5.5131 -11.96957      8.942221 
1 1 1 10 3  0  f 833.558 7.0236 5450.40  91.766  5450.40  91.766  5450.40  91.766  833.558 7.0236 833.558 7.0236 -0.000000      0.000000 
1 1 1 10 3  1  o 329.909 2.1006 853.211  10.864  873.864  15.721  834.336  15.029  333.860 3.0038 326.223 2.9388 7.636719       4.202336 
1 1 1 10 3  2  o 261.053 2.0084 534.225  8.2193  531.645  10.975  537.520  12.403  260.413 2.6883 261.842 3.0217 -1.428955      4.044450 
1 1 1 10 3  3  o 546.659 3.4530 2343.04  29.591  2343.24  40.076  2342.80  43.879  546.619 4.6768 546.539 5.1214 0.7946777E-01  6.935453 
1 1 1 10 3  4  o 374.018 2.4424 1096.66  14.320  1085.06  19.183  1111.25  21.522  372.014 3.2894 376.466 3.6468 -4.452148      4.911088 
1 1 1 10 3  5  o 246.863 1.7461 477.714  6.7572  487.042  9.2985  467.276  9.8365  249.254 2.3797 244.141 2.5701 5.113037       3.502590 
1 1 1 10 3  6  o 312.076 2.0967 763.464  10.257  768.078  13.976  758.078  15.102  313.003 2.8483 310.953 3.0979 2.049683       4.208336 
1 1 1 10 3  7  o 371.197 2.4304 1080.18  14.143  1085.05  19.245  1074.45  20.853  372.011 3.3000 370.181 3.5934 1.829712       4.878806 
1 1 1 10 3  8  o 199.148 1.5138 310.885  4.7260  311.544  6.4070  310.099  6.9994  199.354 2.0501 198.889 2.2449 0.4647980      3.040144 
1 1 1 10 3  9  o 400.022 2.5953 1254.48  16.275  1268.94  22.277  1237.94  23.836  402.292 3.5323 397.337 3.8266 4.954651       5.207737 
1 1 1 10 3  10 o 137.981 1.2681 149.238  2.7429  149.957  3.7266  148.387  4.0520  138.311 1.7187 137.583 1.8787 0.7273102      2.546243 
1 1 1 10 3  11 o 278.798 1.9172 609.317  8.3793  612.430  11.396  605.653  12.364  279.498 2.6008 277.943 2.8375 1.555420       3.849096 
1 1 1 10 3  12 o 584.454 3.6816 2678.42  33.732  2639.90  45.002  2727.81  50.959  580.153 4.9481 589.689 5.5125 -9.535889      7.407517 
1 1 1 10 3  13 o 287.815 1.9669 649.374  8.8747  637.183  11.806  665.211  13.456  285.088 2.6417 291.284 2.9468 -6.196136      3.957574 
1 1 1 10 3  14 o 114.860 1.2317 103.414  2.2178  106.630  3.0465  99.788   3.2350  116.630 1.6662 112.825 1.8290 3.805008       2.474164 
1 1 1 10 3  15 o 833.290 5.1827 5446.88  67.702  5426.54  91.300  5471.72  100.911 831.471 7.0044 834.803 7.7109 -3.331665      10.41724 
1 1 1 10 3  16 o 217.034 1.5368 369.240  5.2286  370.420  6.8536  367.598  8.0873  217.375 2.0112 216.540 2.3824 0.8348846      3.117804 
1 1 1 10 3  17 o 561.045 3.5433 2468.23  31.165  2421.41  41.350  2529.81  47.417  555.612 4.7474 567.862 5.3265 -12.24982      7.135036 
1 1 1 10 3  18 o 362.094 2.3806 1027.88  13.513  1020.61  16.818  1041.13  22.698  360.792 2.9736 364.361 3.9737 -3.569672      4.963114 
1 1 1 10 3  19 o 419.531 2.5974 1379.91  17.083  1391.99  22.555  1363.65  26.162  421.330 3.4148 416.988 4.0021 4.341858       5.260960 
1 1 1 10 3  20 o 289.946 1.8247 659.038  8.2941  648.431  11.110  672.393  12.466  287.590 2.4642 292.848 2.7154 -5.258881      3.666880 
1 1 1 10 3  21 o 291.661 1.9085 666.867  8.7262  665.070  12.287  668.695  12.395  291.248 2.6910 292.040 2.7075 -0.7921143     3.817339 
1 1 1 10 3  22 o 166.553 1.2724 217.450  3.3222  212.398  4.4172  224.029  5.0409  164.603 1.7118 169.047 1.9021 -4.444077      2.559001 
1 1 1 10 3  23 o 490.164 2.8752 1883.93  22.094  1898.23  30.301  1867.69  32.283  491.944 3.9290 487.945 4.2204 3.999512       5.766197 
1 1 1 10 3  24 o 238.778 1.5741 446.956  5.8922  449.265  8.0443  444.283  8.6547  239.382 2.1436 238.046 2.3192 1.335648       3.158122 
1 1 1 10 3  25 o 206.865 1.4302 335.461  4.6380  334.198  6.2755  336.981  6.8852  206.466 1.9389 207.320 2.1185 -0.8539886     2.871775 
1 1 1 10 3  26 o 152.299 1.2716 181.827  3.0361  179.865  3.9148  184.786  4.8092  151.471 1.6487 153.523 1.9982 -2.052582      2.590558 
1 1 1 10 3  27 o 383.350 2.3951 1152.31  14.394  1143.86  18.695  1164.60  22.556  381.896 3.1226 385.294 3.7344 -3.398346      4.867879 
1 1 1 10 3  28 o 247.540 1.6173 480.383  6.2763  487.718  8.6399  472.188  9.1325  249.404 2.2098 245.394 2.3739 4.009216       3.243273 
1 1 1 10 3  29 o 234.060 1.5540 429.492  5.7020  427.672  7.7102  431.688  8.4712  233.547 2.1059 234.633 2.3030 -1.086365      3.120711 
1 1 1 10 3  30 o 338.030 2.0690 895.922  10.964  902.050  15.013  888.917  16.050  339.138 2.8239 336.644 3.0412 2.493500       4.150070 
1 1 1 10 3  31 o 394.096 2.4553 1217.96  15.169  1210.44  21.257  1225.76  21.653  392.788 3.4522 395.261 3.4945 -2.472931      4.912176 
1 1 1 10 3  32 o 227.590 1.5851 406.089  5.6554  398.457  7.7984  414.555  8.2136  225.419 2.2068 229.925 2.2787 -4.505478      3.172150 
1 1 1 10 3  33 o 252.482 1.9739 499.840  7.8130  502.569  10.459  496.394  11.752  253.137 2.6356 251.557 2.9801 1.580719       3.978369 
1 1 1 10 3  34 o 63.506  1.4065 31.618   1.4002  31.699   1.8724  31.515   2.1091  63.584  1.8785 63.395  2.1222 0.1883011      2.834141 
1 1 1 10 3  35 o 211.632 1.8399 351.173  6.1043  350.002  7.0309  354.756  12.302  211.268 2.1229 212.610 3.6910 -1.341812      4.257973 
1 1 1 10 3  36 o 348.263 2.6964 951.336  14.721  939.795  16.787  989.769  30.634  346.107 3.0939 354.845 5.5069 -8.738098      6.316457 
1 1 1 10 3  37 o 276.726 2.1175 600.499  9.1858  606.293  10.531  582.072  18.781  278.039 2.4162 272.250 4.4005 5.789673       5.020228 
1 1 1 10 3  38 o 75.810  1.5633 45.059   1.8580  46.448   2.2174  41.787   3.4040  76.966  1.8378 72.982  2.9752 3.984039       3.497065 
1 1 1 10 3  39 o 233.835 2.1073 428.792  7.7247  430.444  9.2299  424.928  14.114  234.262 2.5133 232.649 3.8698 1.612732       4.614295 
1 1 1 10 3  40 o 227.856 1.7582 407.095  6.2804  407.806  8.8280  406.368  8.9366  228.017 2.4697 227.612 2.5045 0.4044800      3.517382 
1 1 1 10 3  41 o 190.166 1.6679 283.552  4.9723  289.228  7.5265  279.156  6.6236  192.020 2.5003 188.661 2.2395 3.359055       3.356626 
1 1 1 10 3  42 o 245.276 1.9543 471.782  7.5145  473.509  11.265  470.398  10.087  245.651 2.9252 244.868 2.6276 0.7831116      3.932042 
1 1 1 10 3  43 o 175.650 1.5168 241.911  4.1767  241.741  6.6097  242.024  5.3890  175.548 2.4018 175.673 1.9568 -0.1254883     3.097990 
1 1 1 10 3  44 o 72.323  1.2837 41.009   1.4554  42.793   2.3882  39.955   1.8357  73.865  2.0624 71.382  1.6404 2.483047       2.635271 
1 1 1 10 3  45 o 179.640 1.3368 253.018  3.7647  250.667  5.5384  255.038  5.1328  178.773 1.9762 180.334 1.8156 -1.560913      2.683614 
1 1 1 10 3  46 o 244.721 1.6180 469.638  6.2073  466.757  9.1089  472.137  8.4816  243.905 2.3823 245.324 2.2054 -1.418839      3.246372 
1 1 1 10 3  47 o 216.689 1.5425 368.210  5.2399  369.492  7.5076  366.991  7.3168  217.014 2.2068 216.283 2.1580 0.7310944      3.086538 
1 1 1 10 3  48 o 184.533 1.3979 267.026  4.0438  266.494  5.7855  267.535  5.6544  184.308 2.0024 184.671 1.9531 -0.3634033     2.797167 
1 1 1 10 3  49 o 66.761  1.1992 34.948   1.2551  34.898   1.8680  34.990   1.6946  66.699  1.7865 66.791  1.6184 -0.9246063E-01 2.410590 
1 1 1 10 3  50 o 159.549 1.2951 199.627  3.2392  198.724  4.6535  200.475  4.5117  159.148 1.8652 159.852 1.8004 -0.7048187     2.592384 
1 1 1 10 3  51 o 210.578 1.5968 347.864  5.2714  347.164  7.1587  348.693  7.7911  210.292 2.1715 210.726 2.3585 -0.4335938     3.205870 
1 1 1 10 3  52 o 29.200  2.2562 6.7357   1.0248  4.4812   1.5383  8.5342   1.3740  23.462  4.3424 32.843  2.6923 -9.381256      5.109295 
1 1 1 10 3  53 o 24.237  2.1559 4.6499   0.8106  4.5251   1.0301  4.8528   1.3136  23.824  2.8124 24.575  3.5094 -0.7506676     4.497300 
1 1 1 10 3  54 o 83.487  1.1566 54.667   1.5137  54.136   1.8391  55.782   2.6651  83.067  1.4123 84.280  2.0171 -1.212646      2.462401 
1 1 1 10 3  55 o 42.517  1.3636 14.183   0.9089  13.343   1.0772  16.261   1.6935  41.228  1.6666 45.418  2.3869 -4.189903      2.911119 
1 1 1 10 3  56 o 39.818  1.4273 12.442   0.8909  12.982   0.9773  9.7848   2.1678  40.669  1.5328 34.946  4.0310 5.723473       4.312568 
1 1 1 10 3  57 o 50.498  1.9216 20.034   1.5212  21.769   2.5907  19.121   1.8793  52.443  3.1661 49.300  2.4315 3.142715       3.992028 
1 1 1 10 3  58 o 52.145  1.6355 21.351   1.3370  21.692   1.8499  20.979   1.9345  52.517  2.2469 51.636  2.3898 0.8813820      3.280171 
1 1 1 10 3  59 o 102.164 1.4025 81.929   2.2462  82.437   3.0754  81.348   3.2884  102.418 1.9155 101.718 2.0622 0.6999512      2.814563 
1 1 1 10 3  60 o 44.203  1.7309 15.351   1.1994  15.987   1.6709  14.675   1.7228  45.001  2.3769 43.085  2.5622 1.915611       3.494936 
1 1 1 10 3  61 o 71.958  1.4434 40.656   1.6283  39.562   2.2160  41.941   2.4006  70.928  1.9929 73.016  2.0972 -2.088394      2.893100 
1 1 1 10 3  62 o 28.912  2.5776 6.6413   1.1560  4.9541   1.7804  7.8709   1.5200  24.490  4.8090 31.403  3.1293 -6.912359      5.737450 
1 1 1 10 3  63 o 32.890  2.3758 8.5674   1.2168  7.4733   1.8603  9.3854   1.6085  30.403  4.0002 34.328  3.0197 -3.925697      5.012038 
1 1 1 10 3  64 o 30.951  2.7520 7.6238   1.3214  6.4882   1.8677  8.7618   1.8697  28.192  4.3672 33.017  3.6746 -4.824697      5.707465 
1 1 1 10 3  65 o 70.261  1.3073 38.766   1.4399  36.989   2.1807  40.139   1.9174  68.543  2.0295 71.448  1.7119 -2.904610      2.655021 
1 1 1 10 3  66 o 40.057  1.5758 12.614   0.9895  10.793   1.6143  13.709   1.2524  36.833  2.8171 41.732  1.9144 -4.899479      3.405988 
1 1 1 10 3  67 o 9.1624  3.8956 0.0297   0.9779  -0.8416  1.3184  1.0954   1.4580  9.0794  4.1489 13.429  5.0697 -4.349697      6.550933 
1 1 1 10 3  68 o 45.286  1.7768 16.146   1.2614  18.860   1.7282  13.051   1.8454  48.879  2.2554 40.460  2.9293 8.419365       3.696935 
1 1 1 10 3  69 o 12.298  4.0405 1.1707   0.9009  -0.0444  1.1176  3.4251   1.5223  9.5918  4.1233 20.152  4.8724 -10.56003      6.382940 
1 1 1 10 3  70 o 61.390  1.3812 29.636   1.3293  30.379   1.6952  28.450   2.1421  62.095  1.7414 59.983  2.2780 2.112537       2.867361 
1 1 1 10 3  71 o 24.517  2.4109 4.8069   0.9146  4.2800   1.1176  5.8752   1.5914  22.942  3.1942 26.740  3.9121 -3.798563      5.050501 
1 1 1 10 3  72 o 31.385  2.6788 7.8898   1.3054  9.2070   2.1615  7.1336   1.6378  33.428  4.2187 29.571  3.6078 3.856766       5.550992 
1 1 1 10 3  73 o 11.506  4.4653 0.7359   1.1524  0.2237   1.8750  1.0469   1.4610  12.660  5.3887 13.147  5.0479 -0.4872465     7.383736 
1 1 1 10 3  74 o 12.168  4.5266 0.9840   1.1538  1.5024   1.9724  0.7142   1.4227  15.247  5.8626 12.230  4.8944 3.017029       7.637122 
1 1 1 10 3  75 o 26.966  3.1524 5.9271   1.3075  4.9957   2.0974  6.5192   1.6722  23.779  5.7005 28.022  3.9132 -4.243385      6.914382 
1 1 1 10 3  76 o 20.773  3.8990 3.6332   1.2231  2.5559   1.9873  4.2901   1.5518  17.515  6.0046 22.365  4.5801 -4.849323      7.551952 
1 1 1 10 3  77 o 18.450  4.2776 2.9214   1.2131  2.8499   2.0012  2.9629   1.5254  18.187  6.0243 18.406  5.1069 -0.2184544     7.897626 
1 1 1 10 3  78 o 20.752  4.3718 3.6995   1.3773  2.8677   2.9225  3.9370   1.5616  18.950  7.1718 21.262  4.7989 -2.312119      8.629249 
1 1 1 10 3  79 o 11.525  4.6487 0.6217   1.2945  0.6026   2.7506  0.6271   1.4671  15.110  6.4813 12.043  4.9154 3.066051       8.134397 
1 1 1 10 3  80 o 34.245  3.8406 9.7792   2.0263  11.073   3.2698  8.9723   2.5818  34.922  6.1998 31.926  5.3475 2.995279       8.187434 
1 1 1 10 3  81 o 46.104  2.7196 17.194   1.9569  13.893   4.6660  17.899   2.1556  37.059  8.2443 46.918  2.9457 -9.859310      8.754785 
1 1 1 10 3  82 o 26.232  6.0739 6.4272   2.4486  6.8775   4.2989  6.2109   2.9791  25.172  8.8200 25.005  7.2057 0.1670990      11.38923 
1 1 1 10 3  83 o 43.650  4.2500 16.324   2.8713  8.3592   4.8216  20.700   3.5742  26.578  9.3393 48.700  4.7417 -22.12205      10.47402 
1 1 1 10 4  0  o 6.9349  4.6132 -0.4136  1.3462  -0.4136  1.3462  -0.4136  1.3462  6.9349  4.6132 6.9349  4.6132 0.000000       0.000000 
1 1 1 10 4  1  o 177.205 1.3735 246.149  3.8157  252.632  5.5008  240.137  5.2973  179.519 1.9546 175.024 1.9307 4.495422       2.747364 
1 1 1 10 4  2  o 463.027 2.8387 1680.84  20.606  1697.30  29.428  1665.01  28.861  465.239 4.0349 460.795 3.9954 4.444031       5.678364 
1 1 1 10 4  3  o 34.131  2.0759 9.1660   1.1055  10.834   1.5706  7.5283   1.5562  37.075  2.7214 30.813  3.2718 6.261339       4.255637 
1 1 1 10 4  4  o 971.812 5.7664 7409.08  87.849  7352.58  123.295 7467.34  125.202 967.686 8.1275 975.196 8.1897 -7.509338      11.53807 
1 1 1 10 4  5  o 262.021 1.7574 538.185  7.2186  533.205  10.117  543.349  10.302  260.796 2.4746 263.264 2.4963 -2.468781      3.515000 
1 1 1 10 4  6  f 331.849 2.3194 863.308  12.066  847.204  18.704  874.788  15.791  328.705 3.6296 334.031 3.0156 -5.326447      4.718932 
1 1 1 10 4  7  o 788.740 4.9141 4879.48  60.762  4848.60  81.672  4917.77  90.934  786.032 6.6279 791.515 7.3285 -5.483276      9.881097 
1 1 1 10 4  8  f 239.584 1.7229 449.959  6.4711  444.234  8.6726  457.151  9.7198  238.047 2.3240 241.479 2.5676 -3.432205      3.463133 
1 1 1 10 4  9  f 305.741 2.0693 732.796  9.9180  730.018  13.374  736.190  14.784  305.146 2.7957 306.426 3.0777 -1.280029      4.157884 
1 1 1 10 4  10 o 67.204  1.3289 35.403   1.4000  36.390   1.9272  34.299   2.0373  68.133  1.8043 66.146  1.9647 1.986870       2.667492 
1 1 1 10 4  11 o 169.651 1.3445 225.611  3.5758  223.972  5.0039  227.322  5.1118  169.030 1.8884 170.289 1.9148 -1.259064      2.689363 
1 1 1 10 4  12 o 200.722 1.4735 315.823  4.6367  315.179  6.5217  316.480  6.5933  200.512 2.0748 200.925 2.0932 -0.4131470     2.947256 
1 1 1 10 4  13 o 290.048 1.9931 659.505  9.0628  673.454  12.469  643.880  13.196  293.085 2.7137 286.572 2.9373 6.513245       3.999041 
1 1 1 10 4  14 o 328.177 2.2028 844.318  11.333  851.397  16.930  838.570  15.255  329.519 3.2774 327.037 2.9755 2.481934       4.426611 
1 1 1 10 4  15 o 165.725 1.3342 215.290  3.4663  218.024  4.9258  212.609  4.8786  166.769 1.8841 164.685 1.8897 2.084106       2.668484 
1 1 1 10 4  16 o 260.495 1.8366 531.953  7.5003  537.151  11.167  527.681  10.123  261.747 2.7215 259.435 2.4891 2.312164       3.688138 
1 1 1 10 4  17 o 555.378 3.3666 2418.67  29.311  2473.40  42.388  2368.53  40.576  561.507 4.8154 549.484 4.7104 12.02277       6.736213 
1 1 1 10 4  18 o 82.283  1.2007 53.072   1.5488  51.731   2.1487  54.522   2.2347  81.235  1.6872 83.397  1.7093 -2.162262      2.401721 
1 1 1 10 4  19 o 253.280 1.7200 502.895  6.8296  484.693  9.3202  524.002  10.037  248.641 2.3911 258.524 2.4764 -9.883759      3.442408 
1 1 1 10 4  20 o 349.901 2.3228 959.876  12.741  950.631  18.719  967.856  17.391  348.165 3.4296 351.319 3.1577 -3.153656      4.661888 
1 1 1 10 4  21 o 187.169 1.3595 274.619  3.9891  275.431  5.4254  273.664  5.8856  187.439 1.8464 186.834 2.0095 0.6048126      2.728920 
1 1 1 10 4  22 o 115.967 1.1398 105.420  2.0721  100.966  2.7402  111.368  3.1667  113.488 1.5402 119.189 1.6948 -5.701736      2.290080 
1 1 1 10 4  23 o 106.075 1.1268 88.202   1.8738  87.431   2.5241  89.148   2.7969  105.607 1.5246 106.638 1.6730 -1.030540      2.263509 
1 1 1 10 4  24 o 276.856 1.9157 600.930  8.3145  600.175  11.185  601.861  12.430  276.658 2.5789 277.034 2.8622 -0.3758545     3.852645 
1 1 1 10 4  25 o 129.578 1.2069 131.621  2.4517  129.725  3.3858  133.711  3.5549  128.636 1.6790 130.596 1.7363 -1.960648      2.415350 
1 1 1 10 4  26 o 192.417 1.4249 290.250  4.2981  290.668  5.6122  289.656  6.6842  192.547 1.8593 192.202 2.2184 0.3446503      2.894506 
1 1 1 10 4  27 o 164.875 1.4389 213.107  3.7191  213.146  4.7751  213.048  5.9295  164.882 1.8474 164.833 2.2947 0.4904175E-01  2.945901 
1 1 1 10 4  28 o 117.250 1.5133 107.776  2.7815  107.775  3.3102  107.779  5.1305  117.245 1.8010 117.228 2.7917 0.1747131E-01  3.322230 
1 1 1 10 4  29 o 330.532 2.4322 856.744  12.603  861.800  15.553  847.076  21.506  331.466 2.9930 328.513 4.1759 2.952850       5.137772 
1 1 1 10 4  30 o 104.129 1.2595 85.001   2.0561  84.940   2.4877  85.133   3.6524  104.088 1.5245 104.195 2.2361 -0.1069489     2.706320 
1 1 1 10 4  31 o 82.278  1.3818 53.072   1.7824  54.907   2.2999  50.314   2.8202  83.684  1.7531 80.101  2.2459 3.583321       2.849125 
1 1 1 10 4  32 o 136.668 1.3361 146.430  2.8627  149.848  3.7387  141.585  4.4506  138.247 1.7251 134.373 2.1128 3.874268       2.727610 
1 1 1 10 4  33 o 111.196 1.2160 96.930   2.1197  99.650   2.8862  93.744   3.1234  112.739 1.6330 109.344 1.8222 3.395386       2.446833 
1 1 1 10 4  34 o 310.698 2.0138 756.947  9.8087  748.594  13.664  765.829  14.089  308.922 2.8215 312.454 2.8763 -3.531494      4.029139 
1 1 1 10 4  35 o 105.766 1.1886 87.695   1.9708  87.192   2.7269  88.245   2.8516  105.455 1.6495 106.089 1.7146 -0.6339722     2.379188 
1 1 1 10 4  36 o 102.762 1.2348 82.786   1.9892  86.279   2.9391  79.833   2.7022  104.899 1.7873 100.906 1.7083 3.993271       2.472332 
1 1 1 10 4  37 o 352.242 2.2404 973.046  12.371  980.859  17.593  965.404  17.400  353.559 3.1741 350.764 3.1643 2.795441       4.481927 
1 1 1 10 4  38 o 221.415 1.6527 384.387  5.7367  384.031  8.4859  384.686  7.7852  221.273 2.4463 221.473 2.2423 -0.2003479     3.318503 
1 1 1 10 4  39 o 221.545 1.6543 384.844  5.7455  389.174  8.5786  381.321  7.7371  222.745 2.4567 220.500 2.2383 2.245667       3.323459 
1 1 1 10 4  40 o 106.785 1.3665 89.402   2.2876  90.370   3.1577  88.333   3.3186  107.351 1.8763 106.132 1.9946 1.219635       2.738444 
1 1 1 10 4  41 o 201.093 1.6536 317.083  5.2131  318.608  7.3035  315.499  7.4433  201.542 2.3116 200.553 2.3675 0.9891815      3.308829 
1 1 1 10 4  42 o 39.150  2.2407 12.062   1.3695  12.355   1.7084  11.535   2.2909  39.583  2.7705 38.124  3.8876 1.459103       4.773787 
1 1 1 10 4  43 o 159.031 1.5165 198.307  3.7808  196.830  5.0896  200.124  5.6475  158.415 2.0494 159.725 2.2554 -1.309265      3.047470 
1 1 1 10 4  44 o 189.212 1.6561 280.745  4.9122  277.887  7.4354  282.959  6.5437  188.191 2.5203 189.924 2.1978 -1.733124      3.343979 
1 1 1 10 4  45 o 172.302 1.5014 232.797  4.0556  233.216  5.8751  232.416  5.6053  172.418 2.1736 172.129 2.0773 0.2895660      3.006588 
1 1 1 10 4  46 o 176.672 1.6063 244.784  4.4489  242.458  6.0263  247.569  6.5956  175.793 2.1867 177.621 2.3687 -1.828583      3.223717 
1 1 1 10 4  47 o 111.747 1.3054 97.917   2.2868  99.268   3.0284  96.124   3.4881  112.499 1.7171 110.690 2.0101 1.809143       2.643695 
1 1 1 10 4  48 o 177.471 1.5118 247.018  4.2061  250.099  5.5485  242.856  6.4493  178.537 1.9824 175.898 2.3388 2.638443       3.065938 
1 1 1 10 4  49 o 75.704  1.2287 44.942   1.4583  46.071   2.0812  43.854   2.0439  76.632  1.7324 74.766  1.7439 1.866791       2.458071 
1 1 1 10 4  50 o 24.434  2.3684 4.7322   0.8958  2.6470   1.2782  6.7455   1.2559  17.969  4.5366 29.167  2.7804 -11.19754      5.320873 
1 1 1 10 4  51 o 186.364 1.5562 272.486  4.5467  270.372  5.8512  275.708  7.2233  185.583 2.0112 187.335 2.4596 -1.751801      3.177195 
1 1 1 10 4  52 o 81.469  1.1451 52.053   1.4625  49.755   2.1226  54.130   2.0179  79.624  1.7005 83.059  1.5497 -3.435257      2.300748 
1 1 1 10 4  53 o 53.536  1.4056 22.487   1.1797  22.261   1.5767  22.774   1.7779  53.247  1.8889 53.846  2.1062 -0.5993118     2.829169 
1 1 1 10 4  54 f 120.404 1.3228 113.737  2.4968  116.953  3.2286  108.953  3.9383  122.059 1.6873 117.758 2.1333 4.301109       2.719947 
1 1 1 10 4  55 o 61.356  1.1621 29.531   1.1178  29.049   1.3728  30.480   1.9258  60.841  1.4393 62.289  1.9722 -1.447948      2.441499 
1 1 1 10 4  56 o 56.579  1.1599 25.113   1.0288  24.869   1.2623  25.594   1.7753  56.291  1.4304 57.072  1.9843 -0.7810097     2.446094 
1 1 1 10 4  57 o 133.509 1.1483 139.841  2.4034  138.359  3.0033  142.481  4.0078  132.766 1.4430 134.660 1.8985 -1.894241      2.384646 
1 1 1 10 4  58 o 86.231  1.2647 58.353   1.7097  57.514   2.4351  59.168   2.4010  85.556  1.8156 86.784  1.7648 -1.227936      2.531966 
1 1 1 10 4  59 o 57.881  1.4057 26.301   1.2755  26.344   1.9675  26.270   1.6752  57.867  2.1688 57.815  1.8483 0.5240250E-01  2.849573 
1 1 1 10 4  60 o 44.379  2.0704 15.492   1.4404  14.724   1.7630  17.035   2.4981  43.141  2.6192 46.261  3.4698 -3.120914      4.347357 
1 1 1 10 4  61 o 37.835  2.2346 11.308   1.3195  10.302   1.5939  13.500   2.3522  36.016  2.8462 41.096  3.6904 -5.079777      4.660470 
1 1 1 10 4  62 o 52.192  1.7725 21.415   1.4503  21.745   2.0521  21.085   2.0498  52.518  2.4925 51.711  2.5286 0.8070450      3.550581 
1 1 1 10 4  63 o 46.931  1.9630 17.331   1.4442  14.262   2.1139  20.017   1.9778  42.320  3.2102 50.377  2.5044 -8.056873      4.071556 
1 1 1 10 4  64 o 39.024  2.3427 12.050   1.4266  10.425   2.0130  13.690   2.0220  36.044  3.6111 41.458  3.1343 -5.414566      4.781620 
1 1 1 10 4  65 o 48.240  1.7615 18.307   1.3321  17.754   1.8063  18.966   1.9726  47.367  2.4408 48.934  2.5805 -1.567001      3.551984 
1 1 1 10 4  66 o 19.068  3.6015 2.9878   1.0371  3.2008   1.4333  2.7539   1.5025  19.553  4.7279 18.178  5.0772 1.375166       6.937672 
1 1 1 10 4  67 o 22.340  3.0357 4.0317   1.0356  5.8181   1.4434  2.1363   1.4867  26.797  3.5212 16.296  5.1772 10.50046       6.261193 
1 1 1 10 4  68 o 51.401  1.5960 20.790   1.2860  20.760   1.8867  20.815   1.7575  51.248  2.3484 51.345  2.1835 -0.9678268E-01 3.206640 
1 1 1 10 4  69 o 45.558  1.4844 16.329   1.0601  14.820   1.7403  17.219   1.3368  43.166  2.5837 46.739  1.8244 -3.573334      3.162918 
1 1 1 10 4  70 o 38.222  1.8571 11.524   1.1128  12.608   1.3335  9.0404   2.0194  39.880  2.1408 33.271  3.9488 6.609669       4.491776 
1 1 1 10 4  71 o 19.499  3.0599 3.1062   0.9046  3.9082   1.0506  0.8073   1.7786  21.898  3.1512 13.499  5.4477 8.398310       6.293394 
1 1 1 10 4  72 o 13.558  4.6626 1.4081   1.1987  0.4711   1.7812  2.1837   1.6206  12.824  5.3425 16.384  5.4210 -3.559569      7.611120 
1 1 1 10 4  73 o 19.803  4.0358 3.3038   1.2104  4.1826   1.8522  2.6487   1.5991  21.899  5.4236 17.619  5.3326 4.279873       7.606120 
1 1 1 10 4  74 o 12.838  4.6778 1.1708   1.2216  1.8642   1.9652  0.7341   1.5596  15.957  5.9132 12.633  5.1000 3.324575       7.808716 
1 1 1 10 4  75 o 18.733  4.3176 3.0054   1.2420  2.3722   1.9591  3.4309   1.6059  17.055  5.9553 19.808  5.1307 -2.752745      7.860590 
1 1 1 10 4  76 o 25.697  3.3111 5.4295   1.3028  5.3638   2.0555  5.4736   1.6844  24.637  5.4649 25.376  4.3931 -0.7390766     7.011749 
1 1 1 10 4  77 o 15.674  4.7387 2.1006   1.2632  0.3493   2.0287  3.2095   1.6144  13.106  5.5925 19.074  5.2386 -5.968364      7.662835 
1 1 1 10 4  78 o 44.407  2.3525 15.788   1.6319  13.364   2.4047  17.857   2.2217  40.130  3.8704 46.915  3.0371 -6.785065      4.919792 
1 1 1 10 4  79 o 10.754  4.7047 -0.1072  1.5085  1.1809   2.8292  -0.6189  1.7831  15.996  6.7041 10.893  4.9168 5.103031       8.313848 
1 1 1 10 4  80 o 42.877  2.7090 14.870   1.8115  9.6869   3.2857  17.133   2.1714  32.064  6.7501 45.857  3.0377 -13.79344      7.402072 
1 1 1 10 4  81 o 22.397  5.3412 4.5476   1.8490  2.6798   2.9828  5.7131   2.3563  18.244  7.1549 24.698  6.1176 -6.454548      9.413701 
1 1 1 10 4  82 o 11.794  4.9678 0.4541   1.5661  0.3134   2.8864  0.5128   1.8644  14.615  6.4472 12.679  5.3846 1.935576       8.400004 
1 1 1 10 5  0  o 505.576 4.0421 2004.37  32.032  2004.37  32.032  2004.37  32.032  505.576 4.0421 505.576 4.0421 -0.000000      0.000000 
1 1 1 10 5  1  o 354.997 2.0897 987.936  11.630  987.755  16.433  988.118  16.461  354.942 2.9532 355.007 2.9578 -0.6500244E-01 4.179743 
1 1 1 10 5  2  o 564.547 3.1677 2498.92  28.035  2470.70  39.186  2528.51  40.124  561.269 4.4536 567.793 4.5078 -6.523743      6.336766 
1 1 1 10 5  3  o 430.451 2.5639 1452.63  17.301  1467.27  25.727  1440.54  23.377  432.565 3.7939 428.620 3.4791 3.944153       5.147610 
1 1 1 10 5  4  f 537.942 3.0291 2268.89  25.545  2293.92  36.501  2244.86  35.763  540.826 4.3052 535.013 4.2640 5.812195       6.059381 
1 1 1 10 5  5  o 433.766 2.5812 1475.10  17.552  1509.50  26.409  1447.88  23.491  438.741 3.8396 429.710 3.4872 9.031219       5.186776 
1 1 1 10 5  6  o 214.342 1.4321 360.136  4.8122  352.505  6.6838  368.349  6.9340  212.053 2.0106 216.766 2.0405 -4.712982      2.864648 
1 1 1 10 5  7  o 340.036 2.0137 906.419  10.734  890.018  14.909  924.071  15.467  336.926 2.8227 343.309 2.8739 -6.383392      4.028283 
1 1 1 10 5  8  o 167.749 1.2560 220.581  3.3030  216.169  4.5915  225.312  4.7551  166.059 1.7638 169.535 1.7891 -3.475067      2.512349 
1 1 1 10 5  9  o 329.254 1.9607 849.846  10.121  844.560  14.220  855.271  14.407  328.209 2.7638 330.283 2.7824 -2.074188      3.921817 
1 1 1 10 5  10 o 230.426 1.5002 416.217  5.4193  417.451  7.6647  414.983  7.6635  230.759 2.1188 230.076 2.1247 0.6834717      3.000602 
1 1 1 10 5  11 o 291.502 1.7778 666.123  8.1240  655.393  11.308  677.571  11.679  289.130 2.4947 293.980 2.5342 -4.850311      3.556145 
1 1 1 10 5  12 o 147.631 1.2380 170.844  2.8651  172.633  3.9165  168.786  4.2022  148.398 1.6835 146.734 1.8268 1.664185       2.484246 
1 1 1 10 5  13 o 211.587 1.5327 350.945  5.0840  356.828  7.2635  345.294  7.1183  213.344 2.1718 209.868 2.1636 3.475998       3.065575 
1 1 1 10 5  14 o 296.224 1.9508 687.901  9.0593  688.391  12.803  687.411  12.821  296.308 2.7561 296.097 2.7621 0.2111816      3.901984 
1 1 1 10 5  15 o 264.127 1.7148 546.889  7.1003  547.368  9.6659  546.328  10.464  264.229 2.3335 263.973 2.5287 0.2559509      3.440843 
1 1 1 10 5  16 o 226.748 1.6014 403.047  5.6923  407.444  8.0914  398.738  8.0096  227.969 2.2641 225.520 2.2655 2.448563       3.202934 
1 1 1 10 5  17 o 223.742 1.6566 392.439  5.8105  393.440  7.8296  391.212  8.6690  224.016 2.2295 223.376 2.4756 0.6407623      3.331544 
1 1 1 10 5  18 o 196.300 1.5197 302.072  4.6766  302.114  6.3091  302.020  6.9674  196.305 2.0501 196.270 2.2645 0.3485107E-01  3.054626 
1 1 1 10 5  19 o 219.828 1.7116 378.838  5.8984  383.857  7.6882  371.656  9.1962  221.268 2.2164 217.711 2.6945 3.557602       3.488934 
1 1 1 10 5  20 o 57.539  1.4512 25.953   1.3090  25.907   1.6694  26.028   2.1093  57.485  1.8525 57.616  2.3353 -0.1305656     2.980801 
1 1 1 10 5  21 o 340.405 2.4997 908.594  13.340  910.715  16.389  904.429  22.963  340.771 3.0678 339.503 4.3145 1.267456       5.293963 
1 1 1 10 5  22 o 104.358 1.4061 85.374   2.3004  85.020   2.9132  85.962   3.7495  104.137 1.7845 104.706 2.2843 -0.5683899     2.898653 
1 1 1 10 5  23 o 295.141 2.3574 683.030  10.907  687.122  13.891  676.452  17.613  295.990 2.9937 293.629 3.8263 2.361633       4.858307 
1 1 1 10 5  24 o 73.494  1.4504 42.344   1.6710  42.535   2.1183  42.028   2.7190  73.657  1.8345 73.211  2.3691 0.4458923      2.996303 
1 1 1 10 5  25 o 160.984 1.6088 203.175  4.0602  200.279  5.6759  206.210  5.8106  159.818 2.2654 162.166 2.2856 -2.348816      3.218117 
1 1 1 10 5  26 o 258.395 1.9112 523.494  7.7418  526.778  10.971  520.237  10.926  259.168 2.7004 257.554 2.7061 1.614410       3.822949 
1 1 1 10 5  27 o 313.598 2.1253 771.132  10.448  782.528  15.652  761.973  14.032  315.838 3.1613 311.684 2.8719 4.154053       4.270980 
1 1 1 10 5  28 f 198.603 1.6079 309.235  5.0062  305.698  6.9644  313.017  7.2012  197.443 2.2500 199.791 2.2992 -2.347519      3.216981 
1 1 1 10 5  29 o 250.401 1.8806 491.621  7.3824  508.301  10.677  476.340  10.219  254.573 2.6752 246.441 2.6451 8.131851       3.762110 
1 1 1 10 5  30 o 279.776 1.9492 613.754  8.5490  622.547  11.688  603.636  12.537  281.733 2.6463 277.404 2.8830 4.328430       3.913334 
1 1 1 10 5  31 o 104.294 1.3068 85.274   2.1365  86.144   2.9729  84.344   3.0726  104.818 1.8092 103.715 1.8898 1.102318       2.616217 
1 1 1 10 5  32 o 120.700 1.2306 114.209  2.3285  115.282  3.0583  112.729  3.5917  121.259 1.6088 119.903 1.9108 1.355995       2.497898 
1 1 1 10 5  33 o 68.412  1.2948 36.691   1.3886  36.004   1.7939  37.718   2.1934  67.764  1.6886 69.355  2.0174 -1.590721      2.630808 
1 1 1 10 5  34 o 117.494 1.2854 108.225  2.3677  110.026  3.2204  106.106  3.4929  118.460 1.7342 116.326 1.9154 2.133614       2.583784 
1 1 1 10 5  35 o 239.985 1.6736 451.564  6.2964  453.086  8.2324  449.418  9.7733  240.364 2.1848 239.364 2.6045 1.000214       3.399529 
1 1 1 10 5  36 f 72.663  1.3308 41.394   1.5159  42.135   1.9225  40.175   2.4648  73.307  1.6729 71.573  2.1968 1.733826       2.761229 
1 1 1 10 5  37 o 222.608 1.7437 388.559  6.0851  391.224  7.9230  384.726  9.5019  223.343 2.2629 221.451 2.7370 1.892502       3.551327 
1 1 1 10 5  38 o 150.020 1.3651 176.448  3.2104  171.448  4.2625  183.003  4.8803  147.865 1.8389 152.760 2.0379 -4.894623      2.744891 
1 1 1 10 5  39 o 129.615 1.3134 131.713  2.6687  134.352  3.6724  128.760  3.8849  130.894 1.7897 128.137 1.9340 2.757263       2.634989 
1 1 1 10 5  40 o 149.237 1.3698 174.618  3.2047  179.465  4.4298  169.296  4.6420  151.278 1.8679 146.924 2.0154 4.353912       2.747871 
1 1 1 10 5  41 o 225.339 1.6780 398.177  5.9277  398.724  8.0605  397.533  8.7478  225.455 2.2806 225.103 2.4789 0.3523865      3.368412 
1 1 1 10 5  42 o 152.630 1.3832 182.655  3.3096  183.644  4.5192  181.511  4.8603  153.022 1.8839 152.124 2.0380 0.8982544      2.775361 
1 1 1 10 5  43 o 192.980 1.4668 292.018  4.4374  292.117  6.3132  291.920  6.2383  192.977 2.0869 192.913 2.0628 0.6340027E-01  2.934265 
1 1 1 10 5  44 o 51.849  1.6183 21.083   1.3154  21.959   1.7680  19.996   1.9685  52.906  2.1317 50.479  2.4876 2.426910       3.276013 
1 1 1 10 5  45 o 140.155 1.3495 154.031  2.9651  153.241  3.9704  155.026  4.4585  139.774 1.8120 140.574 2.0232 -0.7998047     2.715947 
1 1 1 10 5  46 o 63.467  1.3347 31.587   1.3280  32.851   1.9119  30.408   1.8460  64.712  1.8847 62.258  1.8914 2.453373       2.670072 
1 1 1 10 5  47 o 45.269  1.6594 16.075   1.1776  17.719   1.8740  15.001   1.5139  47.437  2.5290 43.663  2.2191 3.774715       3.364578 
1 1 1 10 5  48 o 155.659 1.3792 190.030  3.3656  192.309  5.1262  188.304  4.4619  156.531 2.0890 154.916 1.8373 1.615128       2.781996 
1 1 1 10 5  49 o 203.217 1.5720 323.978  5.0080  324.585  7.5567  323.503  6.6875  203.297 2.3711 203.000 2.1014 0.2967377      3.168276 
1 1 1 10 5  50 o 73.696  1.2138 42.596   1.4024  43.952   2.0433  41.387   1.9282  74.838  1.7416 72.624  1.6936 2.214348       2.429347 
1 1 1 10 5  51 o 116.946 1.3242 107.282  2.4276  105.604  3.4989  108.839  3.3711  115.978 1.9244 117.750 1.8262 -1.772423      2.653024 
1 1 1 10 5  52 o 53.612  1.3704 22.550   1.1518  20.654   1.5833  24.681   1.6785  51.284  1.9694 56.063  1.9098 -4.779598      2.743330 
1 1 1 10 5  53 o 73.659  1.2336 42.563   1.4245  43.220   1.9872  41.868   2.0430  74.197  1.7085 73.022  1.7847 1.174805       2.470596 
1 1 1 10 5  54 o 66.103  1.2532 34.282   1.2987  32.832   1.7878  35.903   1.8897  64.660  1.7637 67.615  1.7828 -2.955200      2.507778 
1 1 1 10 5  55 o 31.205  1.8304 7.6750   0.8915  7.7234   1.5772  7.6523   1.0807  31.114  3.2832 31.117  2.2302 -0.2944946E-02 3.969035 
1 1 1 10 5  56 o 80.811  1.3032 51.247   1.6509  50.750   2.2760  51.799   2.3982  80.374  1.8064 81.193  1.8842 -0.8184509     2.610190 
1 1 1 10 5  57 o 72.535  1.1328 41.280   1.2882  41.036   1.5999  41.730   2.1720  72.302  1.4116 72.867  1.9014 -0.5651703     2.368071 
1 1 1 10 5  58 o 58.681  1.1154 27.018   1.0261  26.944   1.2223  27.193   1.8883  58.589  1.3308 58.803  2.0484 -0.2141380     2.442741 
1 1 1 10 5  59 o 107.154 1.2925 90.127   2.1711  89.322   3.0065  91.005   3.1387  106.604 1.7990 107.593 1.8608 -0.9892654     2.588269 
1 1 1 10 5  60 o 22.251  2.7942 3.9680   0.9532  3.9312   1.3881  4.0009   1.3112  21.870  4.2013 22.124  3.9243 -0.2539330     5.748960 
1 1 1 10 5  61 f 80.035  1.2999 50.290   1.6310  50.418   2.3105  50.162   2.3027  80.073  1.8406 79.870  1.8391 0.2032623      2.601918 
1 1 1 10 5  62 o 7.8400  3.4804 -0.2991  0.8541  2.6222   1.4056  -2.0091  1.0754  17.794  4.8887 6.5270  3.1884 11.26678       5.836489 
1 1 1 10 5  63 o 46.308  1.8570 16.872   1.3481  14.311   1.7353  20.770   2.1410  42.492  2.6178 51.209  2.6763 -8.717007      3.743732 
1 1 1 10 5  64 o 26.504  3.1864 5.6488   1.2974  7.4624   1.9080  4.0890   1.7694  30.292  4.1251 22.067  5.2002 8.224936       6.637665 
1 1 1 10 5  65 o 13.427  4.9913 1.1504   1.4024  1.6083   1.8607  0.5483   2.1338  15.571  5.7570 14.159  5.8687 1.412036       8.220999 
1 1 1 10 5  66 o 31.956  2.7159 8.1433   1.3477  7.0654   1.5994  10.782   2.5024  29.570  3.5194 36.327  4.4896 -6.757086      5.704632 
1 1 1 10 5  67 o 35.576  2.2491 10.037   1.2479  8.9555   1.6568  11.454   1.8970  33.393  3.2043 37.793  3.2330 -4.400028      4.551932 
1 1 1 10 5  68 f 54.999  1.7296 23.830   1.4913  26.133   2.0360  21.164   2.1905  57.494  2.2589 51.572  2.7190 5.921619       3.534896 
1 1 1 10 5  69 o 47.639  1.7377 17.889   1.2978  17.688   1.8502  18.084   1.8208  47.162  2.5115 47.708  2.4428 -0.5454521     3.503537 
1 1 1 10 5  70 o 17.827  3.7927 2.6558   1.0274  4.1879   1.5071  1.3257   1.4043  22.304  4.4661 13.764  5.0152 8.539914       6.715538 
1 1 1 10 5  71 o 21.005  2.6398 3.5654   0.8501  4.0315   1.0878  2.8345   1.3622  22.206  3.2188 18.223  4.7279 3.982386       5.719593 
1 1 1 10 5  72 o 27.730  1.9020 6.1097   0.8218  6.5379   1.0219  5.3257   1.3827  28.603  2.2985 25.441  3.5647 3.161947       4.241427 
1 1 1 10 5  73 o 51.056  2.1348 20.686   1.7087  18.068   2.3609  23.566   2.4760  47.253  3.2061 54.127  2.9289 -6.874020      4.342488 
1 1 1 10 5  74 o 19.042  4.5241 3.1228   1.3305  0.8445   1.8495  5.5670   1.9156  13.573  5.5268 25.373  4.9936 -11.80082      7.448643 
1 1 1 10 5  75 o 18.529  4.6592 2.9782   1.3520  2.3679   1.9022  3.6015   1.9221  16.932  5.8706 20.101  5.7866 -3.169502      8.243149 
1 1 1 10 5  76 f 28.514  3.1216 6.6457   1.3726  6.9687   2.0411  6.3790   1.8545  28.493  4.7358 27.358  4.4792 1.134739       6.518470 
1 1 1 10 5  77 o 24.024  3.9046 4.8599   1.4200  2.5532   2.2574  6.3705   1.8268  17.612  6.3676 27.339  4.4125 -9.727852      7.747076 
1 1 1 10 5  78 o 24.342  4.2500 5.0594   1.5628  0.8721   3.1047  6.4804   1.8087  16.071  6.8895 27.581  4.3254 -11.50994      8.134771 
1 1 1 10 5  79 o 10.194  4.5557 -0.3924  1.4892  4.0313   3.0619  -1.7632  1.7044  20.832  7.4296 9.2325  4.3793 11.59918       8.624183 
1 1 1 10 5  80 o 21.493  4.6536 4.0696   1.5226  6.7501   3.0210  3.1568   1.7628  26.175  7.1568 18.637  5.5897 7.538258       9.081015 
1 1 1 10 5  81 o 8.3069  3.9728 -1.7326  1.4627  -0.2960  3.1350  -2.1324  1.6537  14.438  6.5180 8.6240  4.1504 5.813993       7.727225 
1 1 1 10 6  0  o 82.450  1.6799 53.353   2.1694  53.353   2.1694  53.353   2.1694  82.450  1.6799 82.450  1.6799 -0.000000      0.000000 
1 1 1 10 6  1  o 141.088 1.2385 156.037  2.7393  157.943  4.0526  154.433  3.7170  141.943 1.8213 140.358 1.6893 1.585052       2.484079 
1 1 1 10 6  2  o 303.955 1.8464 724.260  8.7979  725.390  12.456  723.135  12.428  304.174 2.6122 303.701 2.6105 0.4730835      3.692958 
1 1 1 10 6  3  o 269.325 1.6837 568.618  7.1087  574.581  10.135  562.843  9.9738  270.720 2.3880 267.941 2.3745 2.779144       3.367592 
1 1 1 10 6  4  o 130.610 1.1695 133.720  2.3945  131.890  3.3423  135.649  3.4321  129.710 1.6437 131.545 1.6643 -1.835312      2.339152 
1 1 1 10 6  5  o 437.082 2.5084 1497.78  17.188  1521.02  24.674  1475.88  23.956  440.408 3.5739 433.826 3.5224 6.581879       5.017941 
1 1 1 10 6  6  o 453.050 2.5927 1609.25  18.414  1622.47  26.257  1596.45  25.831  454.850 3.6824 451.190 3.6520 3.660126       5.186247 
1 1 1 10 6  7  o 363.999 2.1394 1038.72  12.208  1048.06  17.423  1029.71  17.111  365.600 3.0399 362.386 3.0119 3.213989       4.279358 
1 1 1 10 6  8  o 198.322 1.3756 308.315  4.2767  303.052  5.9606  313.900  6.1397  196.614 1.9338 200.102 1.9572 -3.487823      2.751436 
1 1 1 10 6  9  o 93.492  1.1502 68.517   1.6858  69.884   2.3980  67.181   2.3704  94.418  1.6201 92.574  1.6334 1.844269       2.300577 
1 1 1 10 6  10 o 249.791 1.7941 489.142  7.0257  494.388  9.5851  483.050  10.328  251.113 2.4349 248.212 2.6542 2.901932       3.601884 
1 1 1 10 6  11 o 359.603 2.5034 1013.88  14.112  997.513  19.643  1031.33  20.288  356.644 3.5134 362.636 3.5687 -5.992340      5.007977 
1 1 1 10 6  12 o 330.076 2.4570 854.216  12.714  839.617  16.783  873.876  19.476  327.210 3.2718 333.796 3.7219 -6.585999      4.955563 
1 1 1 10 6  13 o 625.963 4.3569 3073.96  42.754  3043.99  56.809  3113.12  64.928  622.691 5.8196 629.586 6.5785 -6.895508      8.783142 
1 1 1 10 6  14 o 200.883 1.9544 316.368  6.1547  324.522  9.6885  310.851  7.9692  203.429 3.0380 199.111 2.5531 4.318069       3.968362 
1 1 1 10 6  15 o 501.983 4.0131 1976.77  31.581  1974.72  48.160  1978.32  41.829  501.449 6.1265 502.025 5.3150 -0.5753479     8.110641 
1 1 1 10 6  16 o 307.576 2.4610 741.773  11.866  735.292  16.626  748.502  16.941  306.181 3.4638 308.917 3.4983 -2.736206      4.922998 
1 1 1 10 6  17 o 300.337 2.5867 707.302  12.179  694.540  15.765  726.190  19.180  297.575 3.3795 304.239 4.0214 -6.663849      5.252908 
1 1 1 10 6  18 o 184.560 1.7392 267.041  5.0320  268.413  7.1375  265.685  7.0954  185.017 2.4608 184.074 2.4589 0.9425354      3.478730 
1 1 1 10 6  19 o 85.925  1.5980 57.881   2.1525  64.685   4.0865  55.268   2.5323  90.819  2.8702 83.960  1.9239 6.858528       3.455385 
1 1 1 10 6  20 o 92.970  1.3723 67.759   2.0000  69.114   2.7008  66.112   2.9761  93.891  1.8349 91.826  2.0674 2.064461       2.764257 
1 1 1 10 6  21 o 385.517 2.6589 1165.54  16.069  1131.66  21.993  1204.34  23.536  379.785 3.6940 391.776 3.8321 -11.99142      5.322659 
1 1 1 10 6  22 f 32.535  2.0965 8.3343   1.0636  8.1338   1.4319  8.5812   1.5887  32.075  2.8783 32.929  3.1146 -0.8542023     4.240896 
1 1 1 10 6  23 o 173.064 1.4412 234.803  3.9101  241.216  5.3677  227.553  5.7075  175.400 1.9521 170.355 2.1372 5.044891       2.894516 
1 1 1 10 6  24 o 250.655 1.8016 492.595  7.0793  494.241  9.5807  490.614  10.507  251.047 2.4344 250.111 2.6796 0.9354248      3.620314 
1 1 1 10 6  25 o 87.410  1.2662 59.897   1.7351  58.503   2.3181  61.673   2.6164  86.382  1.7118 88.689  1.8818 -2.307243      2.543903 
1 1 1 10 6  26 o 132.625 1.2616 137.891  2.6230  143.074  3.7720  133.038  3.6499  135.085 1.7812 130.261 1.7873 4.824249       2.523339 
1 1 1 10 6  27 o 108.147 1.2212 91.687   2.0703  94.991   2.9339  88.410   2.9219  110.071 1.7003 106.188 1.7553 3.882698       2.443723 
1 1 1 10 6  28 o 137.949 1.3894 149.190  3.0047  144.338  4.1410  154.584  4.3665  135.676 1.9469 140.408 1.9837 -4.732162      2.779512 
1 1 1 10 6  29 o 95.743  1.2289 71.862   1.8445  70.493   2.3878  73.888   2.9045  94.822  1.6063 97.073  1.9086 -2.251228      2.494642 
1 1 1 10 6  30 o 262.230 1.7827 539.167  7.3286  536.385  9.5414  543.171  11.445  261.524 2.3273 263.144 2.7743 -1.620056      3.621164 
1 1 1 10 6  31 o 153.388 1.4232 184.456  3.4222  185.216  4.4361  183.338  5.3783  153.693 1.8412 152.899 2.2438 0.7937775      2.902527 
1 1 1 10 6  32 o 125.288 1.2460 123.059  2.4472  124.205  3.2199  121.492  3.7655  125.863 1.6319 124.474 1.9297 1.388885       2.527207 
1 1 1 10 6  33 o 277.119 1.8593 602.166  8.0775  620.521  10.864  579.471  12.080  281.271 2.4637 271.780 2.8352 9.491180       3.756093 
1 1 1 10 6  34 o 212.210 1.5516 353.080  5.1618  346.586  6.6503  362.921  8.1865  210.230 2.0179 215.106 2.4277 -4.875275      3.156813 
1 1 1 10 6  35 o 138.195 1.2936 149.725  2.8025  147.848  3.6320  152.486  4.4058  137.317 1.6872 139.444 2.0155 -2.127380      2.628447 
1 1 1 10 6  36 o 70.922  1.4104 39.436   1.5681  39.674   2.1476  39.164   2.2949  71.128  1.9260 70.667  2.0715 0.4610519      2.828554 
1 1 1 10 6  37 o 198.764 1.5734 309.769  4.9026  303.949  6.5417  317.226  7.4049  196.863 2.1197 201.103 2.3488 -4.240601      3.163850 
1 1 1 10 6  38 o 387.355 2.5539 1177.14  15.508  1204.91  21.489  1146.95  22.404  391.747 3.4991 382.162 3.7396 9.584381       5.121333 
1 1 1 10 6  39 o 59.438  1.5202 27.702   1.4165  27.590   1.9073  27.838   2.1153  59.311  2.0513 59.573  2.2650 -0.2622223     3.055842 
1 1 1 10 6  40 o 146.694 1.3800 168.723  3.1734  166.408  4.2699  171.581  4.7431  145.665 1.8699 147.904 2.0456 -2.238983      2.771470 
1 1 1 10 6  41 o 245.997 1.7918 474.588  6.9099  470.197  9.2856  480.038  10.344  244.802 2.4196 247.324 2.6679 -2.522232      3.601651 
1 1 1 10 6  42 o 49.665  1.6743 19.344   1.3036  18.351   1.7612  20.547   1.9386  48.363  2.3229 51.171  2.4166 -2.808704      3.352010 
1 1 1 10 6  43 o 23.872  2.8691 4.5383   1.0522  5.8005   1.4960  3.3029   1.4802  26.925  3.6374 20.081  4.7722 6.843893       6.000371 
1 1 1 10 6  44 o 113.885 1.2479 101.697  2.2278  104.568  3.1986  98.991   3.1048  115.461 1.7671 112.340 1.7630 3.121185       2.496158 
1 1 1 10 6  45 o 101.644 1.2315 81.012   1.9623  79.328   2.7606  82.732   2.7899  100.562 1.7511 102.698 1.7329 -2.136101      2.463610 
1 1 1 10 6  46 o 55.883  1.4322 24.493   1.2547  27.255   1.8366  22.076   1.7182  58.934  1.9879 53.037  2.0665 5.896214       2.867399 
1 1 1 10 6  47 o 144.611 1.3686 164.017  3.1026  163.322  4.1583  164.890  4.6600  144.269 1.8386 144.940 2.0509 -0.6717072     2.754368 
1 1 1 10 6  48 o 83.447  1.3209 54.616   1.7280  53.462   2.2881  56.149   2.6362  82.539  1.7683 84.575  1.9883 -2.035912      2.660866 
1 1 1 10 6  49 o 16.768  3.8728 2.3058   0.9975  3.1716   1.3350  1.2115   1.5008  19.651  4.4384 13.981  5.1702 5.669758       6.813999 
1 1 1 10 6  50 o 83.451  1.2779 54.627   1.6718  58.064   2.5991  52.202   2.1835  85.994  1.9280 81.553  1.7079 4.441673       2.575659 
1 1 1 10 6  51 o 58.135  1.4027 26.518   1.2784  26.452   2.0101  26.563   1.6565  58.019  2.2100 58.165  1.8167 -0.1455612     2.860869 
1 1 1 10 6  52 o 90.011  1.1809 63.556   1.6664  65.128   2.4306  62.162   2.2891  91.079  1.7023 88.986  1.6409 2.092606       2.364407 
1 1 1 10 6  53 o 66.300  1.2476 34.488   1.2967  33.740   1.8621  35.191   1.8069  65.543  1.8123 66.944  1.7217 -1.401039      2.499704 
1 1 1 10 6  54 o 59.066  1.3985 27.382   1.2949  27.826   1.7241  26.808   1.9614  59.514  1.8479 58.393  2.1427 1.121231       2.829485 
1 1 1 10 6  55 o 60.503  1.3797 28.732   1.3086  28.110   2.1332  29.108   1.6571  59.775  2.2764 60.873  1.7364 -1.098373      2.863077 
1 1 1 10 6  56 o 51.852  1.3739 21.105   1.1168  22.313   1.5640  19.848   1.5951  53.282  1.8725 50.242  2.0253 3.040791       2.758211 
1 1 1 10 6  57 o 53.091  1.3145 22.125   1.0940  22.674   1.5566  21.589   1.5379  53.708  1.8488 52.406  1.8719 1.302387       2.631011 
1 1 1 10 6  58 o 68.611  1.2890 36.952   1.3865  37.185   1.8145  36.625   2.1493  68.792  1.6825 68.237  2.0092 0.5550995      2.620669 
1 1 1 10 6  59 o 74.394  1.1335 43.433   1.3220  44.543   1.6189  41.210   2.2904  75.319  1.3711 72.373  2.0187 2.945786       2.440270 
1 1 1 10 6  60 o 90.138  1.4336 63.813   2.0258  60.247   2.7383  68.123   3.0109  87.502  1.9963 93.033  2.0645 -5.531586      2.871774 
1 1 1 10 6  61 o 40.510  1.9225 12.912   1.2209  12.509   1.8867  13.203   1.6014  39.642  3.0596 40.832  2.5141 -1.189747      3.960011 
1 1 1 10 6  62 o 47.904  1.6661 18.043   1.2512  18.033   1.8222  18.052   1.7210  47.745  2.4427 47.850  2.2943 -0.1049232     3.351186 
1 1 1 10 6  63 o 29.333  2.2077 6.8216   1.0077  7.0589   1.4524  6.6013   1.3994  29.667  3.1720 28.680  3.1652 0.9872608      4.481078 
1 1 1 10 6  64 o 62.611  1.4377 30.811   1.4111  27.900   1.9821  33.802   2.0094  59.486  2.1255 65.505  1.9568 -6.019066      2.889075 
1 1 1 10 6  65 o 54.531  1.5226 23.386   1.3016  21.514   1.9556  24.874   1.7440  52.178  2.3908 56.176  1.9803 -3.997780      3.104423 
1 1 1 10 6  66 o 53.092  1.9593 22.227   1.6308  19.583   2.2140  25.363   2.4111  49.588  2.8602 56.557  2.7194 -6.969742      3.946621 
1 1 1 10 6  67 o 33.645  2.4206 9.0071   1.2682  8.7742   1.6579  9.3357   1.9690  33.010  3.2457 33.907  3.7680 -0.8975868     4.973143 
1 1 1 10 6  68 o 66.097  1.6656 34.424   1.7259  33.322   2.2626  35.957   2.6688  64.899  2.2239 67.324  2.5287 -2.425591      3.367512 
1 1 1 10 6  69 o 29.163  2.7385 6.8270   1.2373  7.5739   1.6259  5.7993   1.9073  30.527  3.4585 26.215  4.8186 4.311996       5.931298 
1 1 1 10 6  70 o 18.067  4.2768 2.7662   1.1925  2.7919   1.4924  2.7209   1.9835  18.069  5.0648 18.108  5.9976 -0.3898048E-01 7.850088 
1 1 1 10 6  71 o 17.763  3.9032 2.6609   1.0572  2.5951   1.4283  2.7406   1.5723  17.411  4.9813 17.871  5.2595 -0.4609451     7.243985 
1 1 1 10 6  72 o 55.359  1.4087 24.153   1.2225  25.141   1.5269  22.387   2.0406  56.403  1.7268 53.003  2.4559 3.399590       3.002186 
1 1 1 10 6  73 o 19.428  4.1156 3.2113   1.2145  3.6702   1.9770  2.9332   1.5392  20.316  5.8745 18.343  5.1444 1.973352       7.808594 
1 1 1 10 6  74 o 26.467  3.1596 5.7353   1.2851  7.3916   2.2304  4.9122   1.5722  29.234  5.0492 24.024  4.3341 5.210281       6.654219 
1 1 1 10 6  75 o 15.054  5.4267 1.7560   1.6378  -0.4466  2.1600  4.7352   2.5121  12.305  5.4938 22.609  6.6464 -10.30483      8.622986 
1 1 1 10 6  76 o 17.188  5.4223 2.5713   1.6330  1.9387   2.1501  3.4334   2.5103  16.191  6.1458 19.639  6.7478 -3.448313      9.127078 
1 1 1 10 6  77 o 18.499  5.4970 3.0510   1.7107  3.1238   2.2406  2.9493   2.6490  18.780  6.3762 18.678  6.8757 0.1018028      9.377181 
1 1 1 10 6  78 o 24.415  5.6317 5.4087   2.1115  6.3083   3.4985  4.8932   2.6482  25.012  7.9414 22.636  6.8651 2.376751       10.49743 
1 1 1 10 6  79 o 12.475  5.1075 0.7325   1.5904  6.4161   3.4085  -0.8491  1.7981  25.056  7.8229 10.559  4.8325 14.49703       9.195175 
1 1 1 10 6  80 o 17.973  5.4834 2.9500   1.6858  -3.0426  4.1346  4.1449   1.8463  14.119  6.7321 21.181  5.5085 -7.061766      8.698579 
1 1 1 10 6  81 o 16.316  5.5375 2.3854   1.6899  1.8236   4.2711  2.4897   1.8401  17.995  7.8934 16.646  5.7739 1.348248       9.779772 
1 1 1 10 7  0  o 99.470  1.9524 77.651   3.0419  77.651   3.0419  77.651   3.0419  99.470  1.9524 99.470  1.9524 0.000000       0.000000 
1 1 1 10 7  1  o 132.935 1.6573 138.534  3.4539  142.330  5.3476  135.817  4.5241  134.733 2.5318 131.619 2.1926 3.114166       3.349249 
1 1 1 10 7  2  o 85.158  1.8082 56.851   2.4140  53.154   3.3210  60.992   3.5150  82.336  2.5729 88.198  2.5422 -5.862312      3.616995 
1 1 1 10 7  3  o 238.108 2.1881 444.495  8.1678  454.894  10.941  431.406  12.276  240.858 2.8977 234.542 3.3386 6.315262       4.420743 
1 1 1 10 7  4  o 291.858 2.7406 667.909  12.539  667.241  17.627  668.592  17.841  291.663 3.8551 291.955 3.8981 -0.2928162     5.482463 
1 1 1 10 7  5  o 389.556 3.4641 1190.17  21.155  1247.90  31.301  1141.62  28.703  398.771 5.0071 381.430 4.8002 17.34073       6.936364 
1 1 1 10 7  6  o 157.561 1.8764 194.624  4.6348  191.174  6.4468  198.314  6.6680  156.146 2.6337 159.035 2.6745 -2.888535      3.753583 
1 1 1 10 7  7  o 356.394 2.6323 995.938  14.707  979.143  21.614  1010.42  20.069  353.305 3.9025 358.925 3.5667 -5.619965      5.286819 
1 1 1 10 7  8  o 308.705 2.3381 747.189  11.315  724.279  16.490  767.572  15.555  303.885 3.4615 312.851 3.1715 -8.965607      4.694767 
1 1 1 10 7  9  o 347.286 2.4367 945.652  13.266  935.556  18.559  956.200  18.969  345.375 3.4278 349.162 3.4656 -3.787323      4.874420 
1 1 1 10 7  10 o 225.797 1.7662 399.698  6.2517  394.166  8.7332  405.512  8.9534  224.210 2.4846 227.414 2.5114 -3.203186      3.532799 
1 1 1 10 7  11 o 181.956 1.4973 259.544  4.2711  260.113  6.2845  259.055  5.8225  182.142 2.2009 181.775 2.0433 0.3674164      3.003155 
1 1 1 10 7  12 o 238.825 1.7496 447.156  6.5506  441.192  9.5446  452.466  9.0068  237.203 2.5668 240.220 2.3917 -3.017563      3.508340 
1 1 1 10 7  13 o 280.324 1.8097 616.070  7.9529  639.506  12.071  598.094  10.572  285.572 2.6963 276.182 2.4417 9.390442       3.637620 
1 1 1 10 7  14 o 426.104 2.5509 1423.74  17.040  1420.65  25.001  1426.43  23.285  425.540 3.7477 426.431 3.4832 -0.8915405     5.116472 
1 1 1 10 7  15 o 101.628 1.3476 80.965   2.1469  84.524   2.8258  76.105   3.3019  103.833 1.7360 98.521  2.1378 5.311958       2.753910 
1 1 1 10 7  16 o 210.589 1.5438 347.669  5.0968  343.977  7.1469  351.489  7.2705  209.451 2.1766 211.725 2.1905 -2.274139      3.088012 
1 1 1 10 7  17 o 362.953 2.4114 1033.01  13.721  1021.63  18.365  1047.38  20.641  360.888 3.2462 365.375 3.6036 -4.488098      4.850106 
1 1 1 10 7  18 o 185.640 1.5076 270.170  4.3874  275.172  6.6089  266.229  5.8666  187.332 2.2504 184.269 2.0309 3.063110       3.031309 
1 1 1 10 7  19 o 208.524 1.5359 340.887  5.0209  337.532  7.0436  344.352  7.1590  207.477 2.1656 209.563 2.1791 -2.085098      3.072179 
1 1 1 10 7  20 o 449.593 2.9082 1585.45  20.497  1574.51  27.556  1599.00  30.668  447.916 3.9243 451.327 4.3346 -3.410950      5.847121 
1 1 1 10 7  21 o 179.674 1.4790 253.089  4.1659  252.780  5.6248  253.465  6.2000  179.551 1.9983 179.788 2.1998 -0.2369537     2.971892 
1 1 1 10 7  22 f 360.251 2.3980 1017.77  13.543  1012.62  18.237  1024.10  20.221  359.266 3.2380 361.261 3.5705 -1.995148      4.820076 
1 1 1 10 7  23 o 209.239 1.6094 343.250  5.2791  342.117  7.1246  344.629  7.8611  208.874 2.1758 209.630 2.3921 -0.7565155     3.233603 
1 1 1 10 7  24 o 206.543 1.6018 334.461  5.1863  342.715  7.1481  325.287  7.5363  209.055 2.1811 203.663 2.3605 5.392212       3.213883 
1 1 1 10 7  25 o 146.269 1.4313 167.730  3.2819  168.945  4.2708  165.978  5.1289  146.788 1.8559 145.482 2.2489 1.305420       2.915797 
1 1 1 10 7  26 o 130.189 1.3264 132.875  2.7071  134.128  3.6719  131.383  4.0069  130.792 1.7908 129.442 1.9746 1.349747       2.665729 
1 1 1 10 7  27 o 176.965 1.4738 245.524  4.0887  252.236  5.6407  238.092  5.9351  179.352 2.0062 174.245 2.1728 5.107056       2.957326 
1 1 1 10 7  28 o 193.410 1.6266 293.289  4.9319  292.264  6.9219  294.345  7.0290  193.047 2.2872 193.731 2.3144 -0.6846771     3.253899 
1 1 1 10 7  29 o 286.265 2.0001 642.596  8.9756  639.130  12.075  646.877  13.418  285.443 2.6983 287.144 2.9809 -1.700867      4.020785 
1 1 1 10 7  30 f 147.822 1.3842 171.312  3.2077  170.967  4.3435  171.725  4.7574  147.660 1.8764 147.982 2.0507 -0.3215942     2.779620 
1 1 1 10 7  31 o 330.425 2.2343 856.267  11.573  860.029  14.576  849.849  19.037  331.098 2.8083 329.029 3.6908 2.069183       4.637683 
1 1 1 10 7  32 o 308.432 2.0283 746.014  9.8070  744.979  12.812  747.480  15.241  308.167 2.6519 308.633 3.1501 -0.4659729     4.117715 
1 1 1 10 7  33 o 49.314  1.6684 19.068   1.2899  17.093   1.6627  22.054   2.0440  46.684  2.2720 53.024  2.4590 -6.340172      3.347902 
1 1 1 10 7  34 o 297.748 2.0661 695.268  9.6437  685.734  12.892  707.379  14.531  295.635 2.7818 300.232 3.0872 -4.596100      4.155656 
1 1 1 10 7  35 o 70.657  1.4540 39.143   1.6106  38.564   2.2068  39.802   2.3559  70.123  2.0075 71.239  2.1096 -1.115456      2.912067 
1 1 1 10 7  36 o 160.736 1.4358 202.569  3.6179  201.452  4.8951  203.914  5.3709  160.273 1.9482 161.241 2.1248 -0.9683075     2.882766 
1 1 1 10 7  37 o 109.067 1.3318 93.265   2.2770  92.890   3.0882  93.713   3.3707  108.835 1.8100 109.311 1.9670 -0.4762878     2.673070 
1 1 1 10 7  38 o 257.265 1.8578 519.061  7.4925  528.023  10.298  508.981  10.922  259.416 2.5322 254.674 2.7356 4.742081       3.727652 
1 1 1 10 7  39 o 218.389 1.6744 374.015  5.7325  381.663  7.9098  365.554  8.3198  220.565 2.2876 215.845 2.4588 4.719666       3.358336 
1 1 1 10 7  40 o 93.205  1.3420 68.116   1.9609  67.168   2.6427  69.276   2.9250  92.542  1.8216 93.977  1.9854 -1.435387      2.694440 
1 1 1 10 7  41 o 97.859  1.3318 75.090   2.0431  74.162   2.7737  76.190   3.0209  97.238  1.8195 98.553  1.9553 -1.315468      2.670936 
1 1 1 10 7  42 o 214.504 1.5791 360.854  5.3100  352.237  7.3713  370.150  7.6556  211.870 2.2193 217.187 2.2485 -5.317352      3.159291 
1 1 1 10 7  43 o 104.406 1.2625 85.476   2.0664  88.472   2.9591  82.624   2.8868  106.199 1.7774 102.629 1.7943 3.570541       2.525604 
1 1 1 10 7  44 o 94.117  1.2602 69.462   1.8594  70.594   2.6597  68.381   2.6005  94.859  1.7885 93.361  1.7768 1.498177       2.521092 
1 1 1 10 7  45 o 66.113  1.3572 34.280   1.4066  34.907   2.0077  33.676   1.9714  66.695  1.9202 65.508  1.9197 1.186600       2.715210 
1 1 1 10 7  46 o 50.662  1.5254 20.135   1.2115  19.486   1.7217  20.772   1.7051  49.816  2.2046 51.438  2.1145 -1.621197      3.054749 
1 1 1 10 7  47 o 77.750  1.2807 47.414   1.5610  46.026   2.1902  48.846   2.2255  76.578  1.8245 78.890  1.7995 -2.312286      2.562560 
1 1 1 10 7  48 o 50.055  1.5121 19.659   1.1865  19.821   1.6906  19.502   1.6657  50.236  2.1467 49.829  2.1324 0.4061661      3.025784 
1 1 1 10 7  49 o 121.692 1.3243 116.179  2.5263  117.117  3.4098  115.037  3.7616  122.140 1.7808 121.028 1.9826 1.112259       2.664937 
1 1 1 10 7  50 o 24.259  2.4864 4.6764   0.9322  5.5944   1.3412  3.8183   1.2966  26.434  3.3090 21.647  3.9671 4.787838       5.165964 
1 1 1 10 7  51 o 55.252  1.5035 23.961   1.3023  22.363   1.6965  26.254   2.0322  53.349  2.0285 57.788  2.2432 -4.439419      3.024362 
1 1 1 10 7  52 o 75.059  1.3467 44.212   1.5847  45.338   2.1430  42.852   2.3539  75.975  1.7993 73.841  2.0335 2.133408       2.715242 
1 1 1 10 7  53 o 78.869  1.4633 48.829   1.8092  48.024   2.4988  49.716   2.6230  78.162  2.0393 79.519  2.1041 -1.357018      2.930186 
1 1 1 10 7  54 o 22.627  2.5572 4.0833   0.8912  5.1718   1.3165  3.1626   1.2107  25.358  3.3971 19.613  4.0711 5.745808       5.302261 
1 1 1 10 7  55 o 96.693  1.2066 73.369   1.8290  72.854   2.6158  73.862   2.5585  96.293  1.7328 96.964  1.6832 -0.6708374     2.415701 
1 1 1 10 7  56 o 16.985  3.3150 2.3593   0.8510  3.3402   1.2644  1.5472   1.1505  20.140  4.1432 14.118  4.5618 6.022090       6.162426 
1 1 1 10 7  57 o 41.041  1.5143 13.230   0.9743  14.903   1.4545  11.868   1.3122  43.515  2.1321 38.771  2.1677 4.744255       3.040549 
1 1 1 10 7  58 o 45.181  1.4170 16.031   1.0036  15.818   1.4792  16.212   1.3663  44.829  2.1048 45.400  1.9197 -0.5707397     2.848759 
1 1 1 10 7  59 o 98.447  1.1579 76.070   1.7871  79.147   2.6287  73.426   2.4368  100.345 1.6710 96.660  1.6081 3.684906       2.319139 
1 1 1 10 7  60 o 40.160  1.6924 12.680   1.0655  12.586   1.2981  12.875   1.8654  39.926  2.0812 40.230  2.9789 -0.3045349     3.633918 
1 1 1 10 7  61 o 37.594  2.3954 11.195   1.4044  10.318   1.9195  12.206   2.0601  35.876  3.4557 39.061  3.3981 -3.185207      4.846534 
1 1 1 10 7  62 o 11.787  4.3346 0.8986   1.0524  1.6659   1.6371  0.3582   1.3740  15.273  5.4341 11.467  4.7273 3.806143       7.202561 
1 1 1 10 7  63 o 48.722  1.8371 18.691   1.4032  19.471   1.9624  17.876   2.0072  49.563  2.5341 47.446  2.7099 2.117386       3.710121 
1 1 1 10 7  64 o 27.771  2.6351 6.1600   1.1335  6.6862   1.6544  5.6944   1.5561  28.677  3.7714 26.402  3.8748 2.275070       5.407218 
1 1 1 10 7  65 o 24.492  2.9204 4.8308   1.0992  4.5429   1.5872  5.0961   1.5237  23.334  4.5021 24.878  4.0458 -1.544058      6.052906 
1 1 1 10 7  66 o 13.840  4.3412 1.5438   1.0483  2.3400   1.5305  0.8402   1.4388  16.853  5.2389 12.681  4.9704 4.171755       7.221524 
1 1 1 10 7  67 o 22.797  3.3533 4.2446   1.1626  3.7481   1.9735  4.5084   1.4387  20.860  5.8163 23.298  4.0883 -2.438364      7.109355 
1 1 1 10 7  68 o 10.476  3.9625 0.6629   0.8918  2.7578   1.5376  -0.3990  1.0947  18.007  5.1733 8.7523  3.9092 9.254530       6.484174 
1 1 1 10 7  69 o 23.209  3.6740 4.4515   1.2922  3.4110   1.6141  6.3092   2.1566  19.884  5.1404 27.112  5.2639 -7.228237      7.357430 
1 1 1 10 7  70 o 30.656  2.6865 7.5578   1.2781  7.4452   1.5465  7.8005   2.2699  30.226  3.3183 30.280  4.9532 -0.5371475E-01 5.962004 
1 1 1 10 7  71 o 50.798  1.8541 20.423   1.4765  20.653   1.8914  20.063   2.3627  50.930  2.3689 49.863  3.0370 1.067177       3.851661 
1 1 1 10 7  72 o 22.268  3.3058 4.0928   1.1190  4.1710   1.4589  3.9809   1.7439  22.106  4.3646 21.269  5.2597 0.8369064      6.834830 
1 1 1 10 7  73 o 17.694  4.6141 2.7160   1.2931  0.8856   1.9637  4.1174   1.7182  13.864  5.6759 21.628  5.1430 -7.763220      7.659359 
1 1 1 10 7  74 o 21.140  4.6008 3.8763   1.4814  3.1209   1.9434  4.9239   2.2886  18.758  5.9150 23.184  6.1834 -4.425579      8.556938 
1 1 1 10 7  75 o 18.946  4.3136 3.1023   1.2524  2.2116   1.9476  3.7304   1.6354  16.498  5.9210 20.518  5.1050 -4.019590      7.817923 
1 1 1 10 7  76 o 8.0503  3.7716 -1.0702  1.1955  -0.9846  1.8776  -1.1286  1.5503  10.714  4.9162 9.4033  4.3687 1.310247       6.576794 
1 1 1 10 7  77 o 7.6976  3.7599 -2.5621  1.4947  -3.6321  2.0470  -1.3399  2.1878  8.8235  4.3286 11.227  5.2069 -2.403552      6.771137 
1 1 1 10 7  78 o 31.290  3.8392 8.2486   1.8437  7.9269   2.8834  8.4711   2.3980  28.893  6.5207 30.922  5.1264 -2.029146      8.294540 
1 1 1 10 7  79 o 24.595  4.6905 5.3490   1.7425  6.0571   2.6605  4.8171   2.3059  24.869  6.6816 22.387  6.3030 2.481325       9.185404 
1 1 1 10 7  80 o 17.159  5.5517 2.7058   1.7037  1.2501   2.6524  3.7282   2.2229  15.266  6.4494 19.621  6.3408 -4.355014      9.044362 
1 1 1 10 8  0  o 47.087  2.2905 17.504   1.6816  17.504   1.6816  17.504   1.6816  47.087  2.2905 47.087  2.2905 0.000000       0.000000 
1 1 1 10 8  1  o 347.848 2.7351 948.849  14.915  990.439  21.992  913.433  20.295  355.303 3.9484 341.224 3.7940 14.07950       5.475743 
1 1 1 10 8  2  o 287.203 2.3461 646.763  10.563  656.917  15.184  637.242  14.704  289.399 3.3469 285.035 3.2907 4.363525       4.693664 
1 1 1 10 8  3  o 91.540  1.5050 65.691   2.1597  67.365   3.1039  64.119   3.0070  92.693  2.1360 90.432  2.1211 2.260422       3.010256 
1 1 1 10 8  4  o 253.751 2.1384 504.849  8.5066  519.657  12.323  491.368  11.757  257.408 3.0537 250.306 2.9963 7.101685       4.278205 
1 1 1 10 8  5  o 71.814  1.5722 40.431   1.7700  38.091   2.4547  42.965   2.5546  69.700  2.2466 74.025  2.2014 -4.325157      3.145331 
1 1 1 10 8  6  o 53.365  1.8191 22.327   1.5218  24.125   2.1926  20.655   2.1139  55.467  2.5216 51.254  2.6398 4.212383       3.650611 
1 1 1 10 8  7  o 289.932 2.5269 659.169  11.485  666.680  17.755  653.765  15.061  291.497 3.8854 288.698 3.3278 2.799561       5.115710 
1 1 1 10 8  8  o 389.221 3.2213 1188.27  19.656  1186.58  29.999  1189.54  26.019  388.766 4.9222 389.328 4.2630 -0.5620422     6.511630 
1 1 1 10 8  9  o 265.886 2.3852 554.349  9.9421  551.630  15.085  556.438  13.220  265.166 3.6288 266.348 3.1660 -1.181427      4.815810 
1 1 1 10 8  10 o 199.200 1.7602 311.096  5.4968  316.836  8.3675  306.740  7.2906  201.001 2.6555 197.783 2.3513 3.217789       3.546900 
1 1 1 10 8  11 o 223.655 2.1150 392.212  7.4157  397.439  11.485  388.474  9.7114  225.091 3.2548 222.561 2.7834 2.530365       4.282642 
1 1 1 10 8  12 o 356.830 2.6425 998.549  14.782  1005.21  22.354  993.373  19.706  357.901 3.9841 355.832 3.5327 2.069122       5.324723 
1 1 1 10 8  13 o 294.298 2.2674 679.140  10.461  677.626  15.712  680.344  14.020  293.902 3.4103 294.516 3.0365 -0.6141968     4.566218 
1 1 1 10 8  14 o 94.994  1.3742 70.742   2.0464  70.289   2.8898  71.199   2.8984  94.683  1.9469 95.294  1.9401 -0.6110382     2.748573 
1 1 1 10 8  15 o 98.853  1.3825 76.607   2.1424  75.867   3.0157  77.361   3.0442  98.367  1.9557 99.331  1.9549 -0.9639282     2.765208 
1 1 1 10 8  16 o 336.146 2.3845 886.095  12.566  880.065  17.657  892.282  17.885  334.923 3.3630 337.238 3.3831 -2.314880      4.770214 
1 1 1 10 8  17 o 388.003 2.5631 1180.69  15.590  1208.57  21.575  1150.21  22.553  392.464 3.5067 382.841 3.7578 9.622559       5.139824 
1 1 1 10 8  18 o 303.773 2.0957 723.582  9.9798  723.943  13.509  723.148  14.807  303.800 2.8365 303.612 3.1111 0.1885071      4.210013 
1 1 1 10 8  19 o 348.760 2.3425 953.877  12.807  955.246  17.355  952.240  18.978  348.939 3.1727 348.358 3.4751 0.5809326      4.705563 
1 1 1 10 8  20 o 84.231  1.3198 55.621   1.7428  54.710   2.3336  56.769   2.6207  83.533  1.7820 85.088  1.9647 -1.555214      2.652440 
1 1 1 10 8  21 o 310.189 2.1293 754.507  10.354  752.393  13.979  757.077  15.411  309.699 2.8793 310.636 3.1647 -0.9372864     4.278553 
1 1 1 10 8  22 o 190.886 1.4764 285.668  4.4181  283.969  6.2153  287.404  6.2814  190.297 2.0834 191.445 2.0930 -1.147339      2.953162 
1 1 1 10 8  23 o 73.585  1.3830 42.451   1.5954  43.318   2.1674  41.424   2.3570  74.328  1.8601 72.681  2.0686 1.646225       2.781959 
1 1 1 10 8  24 o 149.970 1.3964 176.327  3.2830  170.132  4.3338  184.669  5.0291  147.300 1.8768 153.458 2.0905 -6.157791      2.809325 
1 1 1 10 8  25 o 267.591 1.9075 561.472  8.0019  558.190  10.765  565.525  11.962  266.767 2.5742 268.494 2.8419 -1.727081      3.834411 
1 1 1 10 8  26 o 205.526 1.6118 331.188  5.1931  334.994  7.0856  326.770  7.6333  206.680 2.1869 204.117 2.3855 2.562378       3.236197 
1 1 1 10 8  27 o 110.537 1.3215 95.790   2.2900  98.383   3.1442  92.860   3.3421  112.014 1.7905 108.821 1.9591 3.192871       2.654046 
1 1 1 10 8  28 o 170.852 1.4774 228.860  3.9571  225.206  5.2759  233.558  5.9829  169.466 1.9859 172.571 2.2115 -3.104736      2.972320 
1 1 1 10 8  29 o 141.300 1.3890 156.533  3.0769  155.283  4.1320  158.090  4.6098  140.722 1.8730 141.982 2.0711 -1.259598      2.792431 
1 1 1 10 8  30 o 93.177  1.3658 68.068   1.9951  64.530   2.6480  72.712   3.0342  90.715  1.8620 96.291  2.0100 -5.576302      2.739945 
1 1 1 10 8  31 o 100.065 1.3619 78.503   2.1363  77.205   2.8481  80.172   3.2304  99.225  1.8309 101.109 2.0381 -1.883759      2.739715 
1 1 1 10 8  32 o 88.207  1.5136 61.005   2.0930  61.391   3.0826  60.674   2.8509  88.471  2.2226 87.957  2.0676 0.5147095      3.035581 
1 1 1 10 8  33 o 104.073 1.4147 84.921   2.3081  85.395   3.2726  84.453   3.2559  104.348 2.0005 103.771 2.0014 0.5770721      2.829808 
1 1 1 10 8  34 o 103.851 1.4136 84.561   2.3014  85.901   3.3032  83.296   3.2083  104.655 2.0134 103.057 1.9859 1.597954       2.827937 
1 1 1 10 8  35 o 217.975 1.8614 372.618  6.3608  372.545  8.5343  372.710  9.5406  217.907 2.4983 217.930 2.7926 -0.2262878E-01 3.746983 
1 1 1 10 8  36 o 119.763 1.4221 112.464  2.6699  111.360  3.7655  113.581  3.7864  119.154 2.0158 120.337 2.0071 -1.182785      2.844651 
1 1 1 10 8  37 o 62.542  1.6435 30.674   1.6113  29.970   2.2458  31.421   2.3133  61.806  2.3178 63.284  2.3318 -1.477875      3.287783 
1 1 1 10 8  38 o 104.645 1.4292 85.866   2.3446  81.723   3.2316  90.471   3.4068  102.069 2.0196 107.393 2.0236 -5.323959      2.858973 
1 1 1 10 8  39 o 85.081  1.4599 56.765   1.9472  59.471   2.8108  54.267   2.6999  87.067  2.0593 83.170  2.0708 3.897064       2.920421 
1 1 1 10 8  40 o 338.934 2.4134 901.610  12.823  886.350  17.828  917.970  18.459  335.841 3.3862 341.764 3.4453 -5.922485      4.830734 
1 1 1 10 8  41 o 137.472 1.3847 148.203  2.9841  148.345  4.4377  148.086  4.0317  137.498 2.0588 137.390 1.8719 0.1076050      2.782524 
1 1 1 10 8  42 o 121.001 1.3575 114.821  2.5751  117.657  3.8879  112.604  3.4371  122.448 2.0254 119.802 1.8301 2.645752       2.729737 
1 1 1 10 8  43 o 83.683  1.3634 54.923   1.7886  56.401   2.6761  53.729   2.4046  84.773  2.0137 82.748  1.8537 2.024460       2.736965 
1 1 1 10 8  44 o 62.412  1.4736 30.556   1.4418  32.313   2.1773  29.184   1.9242  64.153  2.1649 60.975  2.0130 3.178310       2.956187 
1 1 1 10 8  45 f 34.888  2.1155 9.5926   1.1516  9.8636   1.7153  9.3702   1.5538  35.268  3.1353 34.396  2.9088 0.8715363      4.276791 
1 1 1 10 8  46 o 10.251  4.0920 0.4126   0.9917  -0.8211  1.4572  1.4770   1.3536  9.7739  4.4252 14.347  4.9535 -4.572625      6.642277 
1 1 1 10 8  47 o 20.345  3.3472 3.3468   1.0305  3.7625   1.5397  3.0096   1.3868  21.384  4.7194 19.117  4.6680 2.266226       6.637972 
1 1 1 10 8  48 o 99.996  1.3185 78.450   2.0669  77.819   3.0613  78.978   2.8018  99.536  1.9619 100.294 1.7820 -0.7570496     2.650412 
1 1 1 10 8  49 o 46.429  1.6691 16.924   1.2149  18.309   1.8396  15.854   1.6179  48.185  2.4433 44.844  2.3092 3.340557       3.361920 
1 1 1 10 8  50 o 149.907 1.4046 176.365  3.3009  174.624  4.8855  177.827  4.4774  149.053 2.0908 150.450 1.8984 -1.397522      2.824058 
1 1 1 10 8  51 o 68.166  1.4045 36.471   1.5008  35.507   2.2294  37.270   2.0297  67.202  2.1161 68.872  1.8799 -1.670128      2.830528 
1 1 1 10 8  52 o 74.254  1.3514 43.275   1.5731  44.000   2.3637  42.700   2.1075  74.811  2.0155 73.717  1.8237 1.093735       2.718076 
1 1 1 10 8  53 o 17.993  3.9160 2.6657   1.0732  3.9466   1.4533  1.1292   1.5917  21.898  4.3862 13.947  5.2893 7.951121       6.871309 
1 1 1 10 8  54 o 33.458  2.1798 8.8463   1.1371  7.8476   1.5270  10.089   1.7036  31.358  3.1487 35.606  3.0825 -4.247698      4.406384 
1 1 1 10 8  55 o 39.777  2.1370 12.488   1.3277  12.416   2.0167  12.542   1.7638  39.478  3.2885 39.759  2.8488 -0.2805099     4.350840 
1 1 1 10 8  56 f 80.870  1.4589 51.364   1.8495  56.524   3.4401  49.267   2.1935  84.653  2.5922 79.165  1.7674 5.488754       3.137450 
1 1 1 10 8  57 o 45.822  1.6820 16.504   1.2083  17.619   1.8541  15.681   1.5930  47.197  2.5149 44.555  2.2884 2.642532       3.400250 
1 1 1 10 8  58 o 7.8671  3.5431 -0.4552  0.9199  1.6630   1.4217  -1.9803  1.2064  14.903  5.0790 7.1739  3.4751 7.729413       6.154071 
1 1 1 10 8  59 o 95.325  1.2927 71.359   1.9318  71.702   2.7829  71.040   2.6838  95.458  1.8597 95.028  1.8016 0.4306183      2.589223 
1 1 1 10 8  60 o 54.329  1.4491 23.195   1.2342  20.587   1.6900  26.175   1.8065  51.112  2.1092 57.648  1.9990 -6.536488      2.905950 
1 1 1 10 8  61 o 12.935  3.4769 1.3773   0.7202  2.4592   1.1884  0.7493   0.9054  17.175  4.3956 10.867  4.0163 6.308182       5.954130 
1 1 1 10 8  62 o 26.785  2.8406 5.7490   1.1746  4.7085   1.6968  6.7062   1.6275  23.752  4.7234 28.752  3.6964 -5.000546      5.997792 
1 1 1 10 8  63 o 22.533  3.4325 4.1386   1.1742  2.8419   1.5990  5.6561   1.7298  18.409  5.2716 26.159  4.3723 -7.749725      6.848838 
1 1 1 10 8  64 o 45.367  1.8750 16.228   1.3335  15.033   1.8981  17.393   1.8738  43.421  2.8035 46.780  2.5649 -3.359390      3.799735 
1 1 1 10 8  65 o 59.046  1.9255 27.514   1.7824  28.375   2.4410  26.531   2.6085  59.795  2.6041 57.740  2.8818 2.055000       3.884098 
1 1 1 10 8  66 o 37.386  2.1484 11.093   1.2539  10.704   1.8029  11.458   1.7450  36.453  3.1869 37.788  2.9696 -1.334805      4.356051 
1 1 1 10 8  67 o 29.224  2.4604 6.8301   1.1167  8.6399   1.5862  5.0516   1.5724  32.707  3.1319 24.596  4.2305 8.111334       5.263662 
1 1 1 10 8  68 o 31.544  2.5019 7.9653   1.2270  5.9458   1.8637  9.5105   1.6302  26.520  4.6523 34.316  3.0625 -7.795488      5.569797 
1 1 1 10 8  69 o 13.967  4.5607 1.5794   1.1484  1.4868   1.7956  1.6434   1.4940  14.834  5.6196 14.668  5.1941 0.1651459      7.652383 
1 1 1 10 8  70 o 23.384  2.9423 4.4571   1.0547  3.6218   1.5280  5.2172   1.4577  20.434  4.8438 25.018  3.8394 -4.583969      6.180909 
1 1 1 10 8  71 o 14.170  4.6553 1.6433   1.1959  1.6380   1.4803  1.6533   2.0291  14.550  5.1684 15.509  5.9503 -0.9592638     7.881542 
1 1 1 10 8  72 o 33.694  2.4375 9.1175   1.2788  12.309   1.6384  4.1416   2.0458  39.077  2.6908 21.409  5.9043 17.66873       6.488523 
1 1 1 10 8  73 o 18.894  4.0148 3.0522   1.1525  3.4946   1.4098  2.1605   2.0012  20.041  4.5863 16.460  5.9886 3.581638       7.543064 
1 1 1 10 8  74 o 29.164  3.4208 7.0288   1.5342  7.2259   2.2427  6.8554   2.1035  28.683  5.1782 28.039  4.9673 0.6440010      7.175523 
1 1 1 10 8  75 o 12.906  5.0351 1.0355   1.4713  -0.5937  2.2194  2.3126   1.9650  12.196  5.4971 16.679  5.9515 -4.482189      8.101779 
1 1 1 10 8  76 o 39.588  3.2880 12.892   2.0221  12.591   2.6674  13.300   3.1007  38.337  4.5256 38.894  5.2168 -0.5570984     6.906226 
1 1 1 10 8  77 o 16.307  6.0447 2.1766   2.0539  0.4518   3.1539  3.4467   2.7065  15.369  6.7612 19.357  6.9764 -3.988210      9.715189 
1 1 1 10 8  78 o 13.660  5.7034 0.8716   2.0363  2.3116   3.2133  -0.0948  2.6324  17.666  7.2497 13.590  6.0665 4.076271       9.453028 
1 1 1 10 8  79 o 26.231  5.5833 6.4278   2.2255  7.9210   3.6513  5.5451   2.8072  26.838  8.0435 23.208  7.0748 3.630100       10.71220 
1 1 1 10 9  0  o 104.818 1.7655 86.201   2.8992  86.201   2.8992  86.201   2.8992  104.818 1.7655 104.818 1.7655 -0.000000      0.000000 
1 1 1 10 9  1  o 153.169 1.3415 183.915  3.2213  179.680  4.4844  188.432  4.6303  151.385 1.8896 155.027 1.9052 -3.642822      2.683359 
1 1 1 10 9  2  o 286.867 1.9232 645.207  8.6489  646.968  12.267  643.467  12.196  287.220 2.7245 286.442 2.7159 0.7776794      3.846947 
1 1 1 10 9  3  o 25.107  2.6689 4.9994   1.0344  4.4277   1.4220  5.6417   1.5073  23.425  4.0169 26.557  3.7229 -3.132458      5.476818 
1 1 1 10 9  4  o 348.869 2.3420 954.381  12.809  951.434  17.321  957.937  19.027  348.273 3.1726 349.436 3.4734 -1.162872      4.704252 
1 1 1 10 9  5  o 288.866 1.9329 654.236  8.7532  663.620  12.546  645.336  12.219  290.890 2.7512 286.856 2.7171 4.033447       3.866706 
1 1 1 10 9  6  o 192.364 1.4883 290.096  4.4882  277.395  6.1290  304.783  6.5906  188.091 2.0786 197.156 2.1323 -9.065445      2.977820 
1 1 1 10 9  7  o 391.683 2.4768 1203.07  15.208  1185.29  21.189  1221.96  21.842  388.693 3.4773 394.654 3.5304 -5.960968      4.955332 
1 1 1 10 9  8  o 346.674 2.2362 942.419  12.153  943.526  17.190  941.312  17.184  346.807 3.1618 346.400 3.1644 0.4073181      4.473275 
1 1 1 10 9  9  o 227.347 1.6434 405.230  5.8572  394.760  8.1063  416.667  8.4726  224.367 2.3047 230.507 2.3447 -6.139587      3.287689 
1 1 1 10 9  10 o 420.560 2.8841 1387.35  19.015  1364.57  26.442  1411.75  27.363  416.952 4.0453 424.087 4.1159 -7.135223      5.771052 
1 1 1 10 9  11 o 321.702 2.1064 811.518  10.623  795.289  14.733  829.093  15.331  318.410 2.9515 325.102 3.0082 -6.691925      4.214332 
1 1 1 10 9  12 o 78.539  1.4195 48.359   1.7477  50.671   2.5066  46.171   2.4382  80.388  1.9890 76.735  2.0268 3.653091       2.839749 
1 1 1 10 9  13 o 330.008 2.4807 854.109  12.833  885.550  19.941  831.880  16.767  335.902 3.7869 325.616 3.2847 10.28595       5.013005 
1 1 1 10 9  14 o 195.524 1.6437 299.731  5.0382  293.975  7.0176  305.854  7.2378  193.613 2.3121 197.486 2.3379 -3.872208      3.288036 
1 1 1 10 9  15 o 104.454 1.3670 85.536   2.2385  85.187   3.1435  85.896   3.1884  104.231 1.9238 104.664 1.9432 -0.4323044     2.734398 
1 1 1 10 9  16 o 223.169 1.8705 390.516  6.5439  398.547  8.9027  381.077  9.6515  225.421 2.5193 220.410 2.7932 5.011230       3.761490 
1 1 1 10 9  17 o 248.204 2.1323 483.097  8.2968  477.010  11.587  489.502  11.886  246.582 2.9975 249.787 3.0353 -3.205032      4.265887 
1 1 1 10 9  18 o 152.437 1.6564 182.188  3.9582  189.831  5.7288  175.207  5.4753  155.579 2.3489 149.467 2.3367 6.112061       3.313229 
1 1 1 10 9  19 o 121.906 1.4220 116.510  2.7177  118.773  3.9085  114.392  3.7814  123.071 2.0258 120.781 1.9971 2.290154       2.844678 
1 1 1 10 9  20 o 226.395 1.7991 401.883  6.3852  400.931  9.0167  402.841  9.0435  226.089 2.5440 226.626 2.5455 -0.5377808     3.598810 
1 1 1 10 9  21 o 171.819 1.5593 231.459  4.2001  233.831  5.9982  229.178  5.8831  172.674 2.2158 170.949 2.1953 1.725632       3.119158 
1 1 1 10 9  22 o 100.925 1.4197 79.858   2.2462  76.101   3.1178  83.912   3.2390  98.512  2.0189 103.444 1.9973 -4.932228      2.839916 
1 1 1 10 9  23 o 41.550  2.1918 13.577   1.4226  14.980   2.1078  12.403   1.9280  43.583  3.1053 39.635  3.1284 3.947727       4.407947 
1 1 1 10 9  24 o 226.288 1.9101 401.534  6.7759  417.435  10.516  390.244  8.8607  230.663 2.9081 223.049 2.5340 7.613632       3.857236 
1 1 1 10 9  25 o 95.019  1.5424 70.788   2.2975  73.732   3.5266  68.618   3.0283  96.958  2.3202 93.541  2.0651 3.417305       3.106125 
1 1 1 10 9  26 o 191.643 1.9853 288.013  5.9644  285.990  7.8694  290.746  9.1431  190.935 2.6291 192.491 3.0299 -1.555298      4.011518 
1 1 1 10 9  27 o 58.416  1.9546 26.760   1.7900  28.016   2.5908  25.613   2.4759  59.757  2.7656 57.137  2.7641 2.620499       3.910111 
1 1 1 10 9  28 o 168.489 1.6614 222.598  4.3883  234.975  6.8846  214.127  5.6953  173.070 2.5375 165.231 2.1987 7.839218       3.357544 
1 1 1 10 9  29 o 157.560 1.7335 194.665  4.2817  192.424  7.0657  195.966  5.3826  156.596 2.8782 158.068 2.1722 -1.471603      3.605864 
1 1 1 10 9  30 o 64.801  1.7729 32.929   1.8011  30.153   2.7069  35.134   2.4126  61.990  2.7855 66.926  2.2995 -4.936214      3.612014 
1 1 1 10 9  31 o 229.718 1.8328 413.831  6.6004  421.237  9.4901  406.891  9.1862  231.707 2.6126 227.730 2.5731 3.976593       3.666989 
1 1 1 10 9  32 o 48.227  2.0575 18.243   1.5556  19.935   2.2198  16.610   2.1806  50.321  2.8253 45.900  3.0477 4.420372       4.155832 
1 1 1 10 9  33 o 143.418 1.4918 161.282  3.3540  165.359  4.8182  157.448  4.6717  145.193 2.1168 141.678 2.1034 3.515213       2.984138 
1 1 1 10 9  34 o 91.859  1.4726 66.164   2.1206  65.310   2.9894  67.030   3.0086  91.247  2.0899 92.441  2.0761 -1.193840      2.945782 
1 1 1 10 9  35 o 202.824 1.7056 322.621  5.4230  327.148  7.7531  318.283  7.5881  204.188 2.4221 201.404 2.4033 2.783829       3.412118 
1 1 1 10 9  36 o 257.384 1.9724 519.659  7.9584  520.798  11.279  518.529  11.231  257.568 2.7933 257.007 2.7875 0.5607300      3.946250 
1 1 1 10 9  37 o 106.402 1.3793 88.776   2.3008  86.029   3.0662  92.316   3.4805  104.725 1.8677 108.476 2.0467 -3.750999      2.770782 
1 1 1 10 9  38 o 95.102  1.3911 70.925   2.0740  69.938   2.7851  72.154   3.1076  94.420  1.8816 95.896  2.0671 -1.475761      2.795236 
1 1 1 10 9  39 o 73.137  1.4691 41.951   1.6844  43.560   2.3365  40.210   2.4304  74.509  2.0003 71.580  2.1658 2.929123       2.948253 
1 1 1 10 9  40 o 44.772  1.7778 15.726   1.2478  13.861   1.7420  17.691   1.7882  41.926  2.6642 47.407  2.4141 -5.481739      3.595222 
1 1 1 10 9  41 o 116.258 1.3016 106.001  2.3722  104.862  3.3473  107.149  3.3624  115.601 1.8471 116.855 1.8355 -1.254860      2.603966 
1 1 1 10 9  42 o 101.989 1.2976 81.582   2.0747  80.084   2.9126  83.125   2.9559  101.018 1.8392 102.918 1.8321 -1.900070      2.595992 
1 1 1 10 9  43 o 118.397 1.2986 109.950  2.4103  111.618  3.4473  108.355  3.3713  119.250 1.8440 117.496 1.8303 1.754845       2.598153 
1 1 1 10 9  44 o 59.850  1.4477 28.103   1.3583  27.851   1.9266  28.352   1.9153  59.552  2.0637 60.087  2.0333 -0.5355377     2.897076 
1 1 1 10 9  45 o 70.000  1.3550 38.443   1.4869  38.679   2.1038  38.206   2.1018  70.184  1.9121 69.753  1.9221 0.4309769      2.711200 
1 1 1 10 9  46 o 33.746  2.0608 8.9798   1.0850  8.7400   1.5398  9.2162   1.5290  33.179  2.9926 34.093  2.8879 -0.9136047     4.158848 
1 1 1 10 9  47 o 132.354 1.3186 137.450  2.7359  136.339  3.8640  138.566  3.8744  131.751 1.8708 132.824 1.8607 -1.073410      2.638563 
1 1 1 10 9  48 o 88.995  1.3018 62.147   1.8162  62.180   2.5917  62.114   2.5460  88.969  1.8582 88.925  1.8263 0.4379272E-01  2.605438 
1 1 1 10 9  49 o 27.343  2.5992 5.9397   1.1007  5.9766   1.5705  5.9040   1.5432  27.228  3.7814 27.068  3.7364 0.1597767      5.315976 
1 1 1 10 9  50 o 119.915 1.3828 112.871  2.5995  109.594  3.6229  116.348  3.7320  118.079 1.9572 121.663 1.9567 -3.584457      2.767557 
1 1 1 10 9  51 o 52.993  1.6414 22.058   1.3636  22.511   1.9441  21.620   1.9131  53.478  2.3189 52.407  2.3286 1.070496       3.286302 
1 1 1 10 9  52 o 78.011  1.4060 47.780   1.7194  48.495   2.4322  47.066   2.4311  78.529  1.9756 77.359  2.0047 1.169952       2.814578 
1 1 1 10 9  53 o 112.257 1.4759 98.966   2.5973  97.395   3.5211  100.840  3.8465  111.269 2.0186 113.188 2.1678 -1.919708      2.962114 
1 1 1 10 9  54 o 74.561  1.3761 43.654   1.6084  43.351   2.1776  44.017   2.3860  74.247  1.8709 74.793  2.0350 -0.5458374     2.764299 
1 1 1 10 9  55 o 28.443  2.3482 6.4184   1.0377  6.7109   1.4106  6.0734   1.5319  28.952  3.1592 27.424  3.6542 1.527536       4.830525 
1 1 1 10 9  56 o 54.288  1.5329 23.158   1.3045  22.797   1.7628  23.594   1.9397  53.807  2.0898 54.719  2.2612 -0.9115944     3.079003 
1 1 1 10 9  57 o 101.255 1.5494 80.577   2.4594  79.560   3.2650  81.911   3.7391  100.509 2.0722 101.917 2.3403 -1.408051      3.125826 
1 1 1 10 9  58 o 42.954  2.0200 14.532   1.3602  15.671   1.9543  13.461   1.8944  44.418  2.8213 41.125  2.9581 3.292732       4.087833 
1 1 1 10 9  59 o 20.377  3.3103 3.3811   1.0212  2.9794   1.3498  3.9186   1.5615  18.878  4.6026 21.654  4.7321 -2.776585      6.601322 
1 1 1 10 9  60 o 51.735  1.7324 21.066   1.4050  19.167   1.8364  23.746   2.1819  49.259  2.3781 54.799  2.5399 -5.539055      3.479385 
1 1 1 10 9  61 o 67.408  1.4589 35.729   1.5416  34.736   2.3000  36.540   2.0774  66.328  2.2119 68.084  1.9463 -1.755913      2.946299 
1 1 1 10 9  62 f 48.847  1.6496 18.785   1.2632  16.503   1.9326  20.488   1.6691  45.533  2.7198 50.945  2.0899 -5.411816      3.430055 
1 1 1 10 9  63 o 22.162  3.1492 3.9909   1.0633  2.9959   1.3117  5.8984   1.8160  18.853  4.5004 26.627  4.5116 -7.774036      6.372453 
1 1 1 10 9  64 o 47.112  2.4166 17.639   1.7788  18.289   3.1029  17.320   2.1709  47.324  4.2270 46.515  2.9930 0.8090172      5.179321 
1 1 1 10 9  65 o 42.124  2.7410 14.187   1.8002  15.136   3.6706  13.886   2.0657  42.219  5.6910 41.527  3.1976 0.6914482      6.527795 
1 1 1 10 9  66 o 34.910  2.6845 9.7672   1.4579  12.460   2.2372  7.7794   1.9222  39.097  3.6938 30.671  4.1003 8.425850       5.518789 
1 1 1 10 9  67 o 38.105  2.5001 11.610   1.4852  12.796   2.2969  10.758   1.9469  39.540  3.7505 36.347  3.4585 3.193359       5.101677 
1 1 1 10 9  68 o 9.8976  4.3867 -0.3269  1.3516  0.7515   1.7412  -1.9620  2.1440  13.145  5.3588 10.630  5.0026 2.514560       7.330903 
1 1 1 10 9  69 o 10.812  4.4427 0.4149   1.2086  0.5516   1.6793  0.2681   1.7408  12.550  5.2044 12.211  5.1948 0.3391848      7.353333 
1 1 1 10 9  70 o 40.155  2.2992 12.894   1.4413  11.946   2.0873  13.758   1.9926  38.135  3.5316 41.151  3.1118 -3.016434      4.706989 
1 1 1 10 9  71 o 49.005  1.8517 19.044   1.4226  16.116   1.8736  23.030   2.1860  44.722  2.6848 53.589  2.6021 -8.866993      3.738867 
1 1 1 10 9  72 o 34.017  2.2045 9.2638   1.1693  10.346   1.6889  8.2674   1.6205  35.625  3.0536 31.712  3.3083 3.913355       4.502142 
1 1 1 10 9  73 o 70.152  1.6733 38.975   1.8402  38.771   2.2931  39.346   3.0843  69.763  2.0967 69.828  2.8176 -0.6517792E-01 3.512114 
1 1 1 10 9  74 o 32.037  2.4072 8.2692   1.2001  9.0012   1.4930  6.9327   2.0174  33.237  2.8944 28.255  4.7210 4.981138       5.537593 
1 1 1 10 9  75 o 12.338  4.7913 0.9640   1.3274  -0.1866  1.8529  2.1774   1.9027  11.635  5.1474 16.200  5.8478 -4.565483      7.790551 
1 1 1 10 9  76 o 29.215  3.4603 7.1284   1.5540  7.8946   2.0463  6.0847   2.3885  30.187  4.4583 25.423  6.0758 4.763767       7.536080 
1 1 1 10 9  77 o 11.444  5.0292 -0.0190  1.7407  1.5026   2.7756  -1.0056  2.2349  15.899  6.6500 11.555  5.3250 4.343186       8.519307 
1 1 1 10 9  78 o 13.125  5.3716 0.9758   1.7581  0.7794   2.7592  1.1100   2.2811  14.715  6.4019 14.356  6.0184 0.3584013      8.786648 
1 1 1 10 10 0  o 439.743 5.4879 1517.41  37.818  1517.41  37.818  1517.41  37.818  439.743 5.4879 439.743 5.4879 0.000000       0.000000 
1 1 1 10 10 1  o 78.370  1.9200 48.236   2.3556  48.236   2.3556  48.236   2.3556  78.370  1.9200 78.370  1.9200 0.000000       0.000000 
1 1 1 10 10 2  o 95.528  1.8331 71.618   2.7429  71.618   2.7429  71.618   2.7429  95.528  1.8331 95.528  1.8331 0.000000       0.000000 
1 1 1 10 10 3  o 195.147 2.1350 298.668  6.5298  298.668  6.5298  298.668  6.5298  195.147 2.1350 195.147 2.1350 0.000000       0.000000 
1 1 1 10 10 4  o 384.012 3.4547 1156.76  20.794  1156.76  20.794  1156.76  20.794  384.012 3.4547 384.012 3.4547 0.000000       0.000000 
1 1 1 10 10 5  o 241.839 2.4283 458.690  9.2041  458.690  9.2041  458.690  9.2041  241.839 2.4283 241.839 2.4283 0.000000       0.000000 
1 1 1 10 10 6  o 15.402  6.1410 2.5736   1.4349  2.5736   1.4349  2.5736   1.4349  15.402  6.1410 15.402  6.1410 -0.000000      0.000000 
1 1 1 10 10 7  o 149.717 1.9141 175.811  4.4908  175.811  4.4908  175.811  4.4908  149.717 1.9141 149.717 1.9141 0.000000       0.000000 
1 1 1 10 10 8  o 118.514 1.8397 110.189  3.4161  110.189  3.4161  110.189  3.4161  118.514 1.8397 118.514 1.8397 0.000000       0.000000 
1 1 1 10 10 9  o 6.8503  4.6024 -0.5843  1.4002  -0.5843  1.4002  -0.5843  1.4002  6.8503  4.6024 6.8503  4.6024 0.000000       0.000000 
1 1 1 10 10 10 o 30.122  3.4093 7.3848   1.5567  7.3848   1.5567  7.3848   1.5567  30.122  3.4093 30.122  3.4093 0.000000       0.000000 
1 1 1 10 10 11 o 136.095 1.8718 145.286  3.9919  145.286  3.9919  145.286  3.9919  136.095 1.8718 136.095 1.8718 0.000000       0.000000 
1 1 1 10 10 12 o 39.274  2.6814 12.262   1.6332  12.262   1.6332  12.262   1.6332  39.274  2.6814 39.274  2.6814 0.000000       0.000000 
1 1 1 10 10 13 o 201.840 2.3967 319.551  7.5811  319.551  7.5811  319.551  7.5811  201.840 2.3967 201.840 2.3967 0.000000       0.000000 
1 1 1 10 10 14 o 153.443 1.9359 184.673  4.6551  184.673  4.6551  184.673  4.6551  153.443 1.9359 153.443 1.9359 -0.000000      0.000000 
1 1 1 10 10 15 o 223.611 2.3082 392.158  8.0894  392.158  8.0894  392.158  8.0894  223.611 2.3082 223.611 2.3082 0.000000       0.000000 
1 1 1 10 10 16 o 27.072  4.6720 6.2384   1.8056  6.2384   1.8056  6.2384   1.8056  27.072  4.6720 27.072  4.6720 0.000000       0.000000 
1 1 1 10 10 17 o 68.359  1.9757 36.728   2.1132  36.728   2.1132  36.728   2.1132  68.359  1.9757 68.359  1.9757 -0.000000      0.000000 
1 1 1 10 10 18 f 128.595 2.0262 129.745  4.0824  129.745  4.0824  129.745  4.0824  128.595 2.0262 128.595 2.0262 -0.000000      0.000000 
1 1 1 10 10 19 o 185.108 2.0880 268.744  6.0573  268.744  6.0573  268.744  6.0573  185.108 2.0880 185.108 2.0880 0.000000       0.000000 
1 1 1 10 10 20 o 158.833 1.9620 197.876  4.8837  197.876  4.8837  197.876  4.8837  158.833 1.9620 158.833 1.9620 0.000000       0.000000 
1 1 1 10 10 21 o 86.904  1.8874 59.293   2.5685  59.293   2.5685  59.293   2.5685  86.904  1.8874 86.904  1.8874 0.000000       0.000000 
1 1 1 10 10 22 o 68.171  2.2340 36.554   2.3816  36.554   2.3816  36.554   2.3816  68.171  2.2340 68.171  2.2340 -0.000000      0.000000 
1 1 1 10 10 23 o 183.515 2.2940 264.185  6.5974  264.185  6.5974  264.185  6.5974  183.515 2.2940 183.515 2.2940 0.000000       0.000000 
1 1 1 10 10 24 o 30.676  3.9118 7.7345   1.7977  7.7345   1.7977  7.7345   1.7977  30.676  3.9118 30.676  3.9118 -0.000000      0.000000 
1 1 1 10 10 25 f 120.934 2.0684 114.769  3.9187  114.769  3.9187  114.769  3.9187  120.934 2.0684 120.934 2.0684 0.000000       0.000000 
1 1 1 10 10 26 o 6.7146  4.6856 -1.7517  1.7971  -1.7517  1.7971  -1.7517  1.7971  6.7146  4.6856 6.7146  4.6856 0.000000       0.000000 
1 1 1 10 10 27 o 307.689 3.1809 742.834  15.339  742.834  15.339  742.834  15.339  307.689 3.1809 307.689 3.1809 0.000000       0.000000 
1 1 1 10 10 28 o 244.004 2.7293 467.108  10.437  467.108  10.437  467.108  10.437  244.004 2.7293 244.004 2.7293 0.000000       0.000000 
1 1 1 10 10 29 o 251.242 2.7793 495.248  10.944  495.248  10.944  495.248  10.944  251.242 2.7793 251.242 2.7793 0.000000       0.000000 
1 1 1 10 10 30 o 132.061 2.1152 136.856  4.3764  136.856  4.3764  136.856  4.3764  132.061 2.1152 132.061 2.1152 0.000000       0.000000 
1 1 1 10 10 31 o 29.162  4.4411 7.1234   1.8906  7.1234   1.8906  7.1234   1.8906  29.162  4.4411 29.162  4.4411 0.000000       0.000000 
1 1 1 10 10 32 o 67.902  2.3551 36.289   2.5001  36.289   2.5001  36.289   2.5001  67.902  2.3551 67.902  2.3551 -0.000000      0.000000 
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1 1 1 10 10 34 o 209.485 2.4904 344.353  8.1758  344.353  8.1758  344.353  8.1758  209.485 2.4904 209.485 2.4904 0.000000       0.000000 
1 1 1 10 10 35 o 19.659  7.2395 4.0669   2.0647  4.0669   2.0647  4.0669   2.0647  19.659  7.2395 19.659  7.2395 0.000000       0.000000 
1 1 1 10 10 36 o 178.823 2.5936 251.026  7.2673  251.026  7.2673  251.026  7.2673  178.823 2.5936 178.823 2.5936 -0.000000      0.000000 
1 1 1 10 10 37 o 80.738  2.4449 51.280   3.0881  51.280   3.0881  51.280   3.0881  80.738  2.4449 80.738  2.4449 -0.000000      0.000000 
1 1 1 10 10 38 o 7.0733  4.8974 -1.5473  1.8642  -1.5473  1.8642  -1.5473  1.8642  7.0733  4.8974 7.0733  4.8974 0.000000       0.000000 
1 1 1 10 10 39 o 8.9733  5.6183 0.3498   1.6312  0.3498   1.6312  0.3498   1.6312  8.9733  5.6183 8.9733  5.6183 0.000000       0.000000 
1 1 1 10 10 40 o 32.736  3.6369 8.7275   1.8075  8.7275   1.8075  8.7275   1.8075  32.736  3.6369 32.736  3.6369 0.000000       0.000000 
1 1 1 10 10 41 o 43.912  3.1639 15.381   2.1520  15.381   2.1520  15.381   2.1520  43.912  3.1639 43.912  3.1639 0.000000       0.000000 
1 1 1 10 10 42 o 42.770  3.0984 14.597   2.0524  14.597   2.0524  14.597   2.0524  42.770  3.0984 42.770  3.0984 0.000000       0.000000 
1 1 1 10 10 43 o 67.406  2.4365 35.812   2.5671  35.812   2.5671  35.812   2.5671  67.406  2.4365 67.406  2.4365 0.000000       0.000000 
1 1 1 10 10 44 o 117.157 2.0046 107.812  3.6793  107.812  3.6793  107.812  3.6793  117.157 2.0046 117.157 2.0046 0.000000       0.000000 
1 1 1 10 10 45 o 28.330  3.6629 6.6256   1.5519  6.6256   1.5519  6.6256   1.5519  28.330  3.6629 28.330  3.6629 0.000000       0.000000 
1 1 1 10 10 46 o 8.5385  5.2861 0.4148   1.4036  0.4148   1.4036  0.4148   1.4036  8.5385  5.2861 8.5385  5.2861 0.000000       0.000000 
1 1 1 10 10 47 o 9.9640  5.9225 0.8661   1.6157  0.8661   1.6157  0.8661   1.6157  9.9640  5.9225 9.9640  5.9225 -0.000000      0.000000 
1 1 1 10 10 48 o 54.309  2.2296 23.284   1.8910  23.284   1.8910  23.284   1.8910  54.309  2.2296 54.309  2.2296 0.000000       0.000000 
1 1 1 10 10 49 o 56.998  2.2895 25.649   2.0382  25.649   2.0382  25.649   2.0382  56.998  2.2895 56.998  2.2895 0.000000       0.000000 
1 1 1 10 10 50 o 135.081 2.0898 143.435  4.4230  143.435  4.4230  143.435  4.4230  135.081 2.0898 135.081 2.0898 -0.000000      0.000000 
1 1 1 10 10 51 o 50.224  2.5133 19.985   1.9675  19.985   1.9675  19.985   1.9675  50.224  2.5133 50.224  2.5133 0.000000       0.000000 
1 1 1 10 10 52 o 153.738 2.4517 186.028  5.9055  186.028  5.9055  186.028  5.9055  153.738 2.4517 153.738 2.4517 -0.000000      0.000000 
1 1 1 10 10 53 f 33.824  3.5537 9.3252   1.8367  9.3252   1.8367  9.3252   1.8367  33.824  3.5537 33.824  3.5537 0.000000       0.000000 
1 1 1 10 10 54 o 11.346  6.2468 1.4440   1.6095  1.4440   1.6095  1.4440   1.6095  11.346  6.2468 11.346  6.2468 0.000000       0.000000 
1 1 1 10 10 55 o 6.6207  4.5033 -0.7730  1.4239  -0.7730  1.4239  -0.7730  1.4239  6.6207  4.5033 6.6207  4.5033 0.000000       0.000000 
1 1 1 10 10 56 o 43.992  2.5954 15.401   1.7756  15.401   1.7756  15.401   1.7756  43.992  2.5954 43.992  2.5954 0.000000       0.000000 
1 1 1 10 10 57 o 15.684  6.1568 2.7016   1.4507  2.7016   1.4507  2.7016   1.4507  15.684  6.1568 15.684  6.1568 0.000000       0.000000 
1 1 1 10 10 58 o 19.090  5.7525 3.5973   1.5010  3.5973   1.5010  3.5973   1.5010  19.090  5.7525 19.090  5.7525 -0.000000      0.000000 
1 1 1 10 10 59 o 9.9524  5.6375 1.0672   1.3570  1.0672   1.3570  1.0672   1.3570  9.9524  5.6375 9.9524  5.6375 0.000000       0.000000 
1 1 1 10 10 60 o 68.956  2.3112 37.600   2.4921  37.600   2.4921  37.600   2.4921  68.956  2.3112 68.956  2.3112 0.000000       0.000000 
1 1 1 10 10 61 o 68.132  1.9491 36.631   2.0779  36.631   2.0779  36.631   2.0779  68.132  1.9491 68.132  1.9491 0.000000       0.000000 
1 1 1 10 10 62 o 11.960  5.8193 1.7143   1.2816  1.7143   1.2816  1.7143   1.2816  11.960  5.8193 11.960  5.8193 0.000000       0.000000 
1 1 1 10 10 63 o 10.144  5.4924 1.2030   1.2229  1.2030   1.2229  1.2030   1.2229  10.144  5.4924 10.144  5.4924 -0.000000      0.000000 
1 1 1 10 10 64 o 60.642  1.9036 29.069   1.8057  29.069   1.8057  29.069   1.8057  60.642  1.9036 60.642  1.9036 0.000000       0.000000 
1 1 1 10 10 65 o 6.9423  4.7307 -0.8104  1.5858  -0.8104  1.5858  -0.8104  1.5858  6.9423  4.7307 6.9423  4.7307 0.000000       0.000000 
1 1 1 10 10 66 o 8.7994  5.5153 0.4621   1.5761  0.4621   1.5761  0.4621   1.5761  8.7994  5.5153 8.7994  5.5153 0.000000       0.000000 
1 1 1 10 10 67 f 24.179  6.1744 5.6603   2.0233  5.6603   2.0233  5.6603   2.0233  24.179  6.1744 24.179  6.1744 0.000000       0.000000 
1 1 1 10 10 68 o 46.507  3.2876 17.613   2.3694  17.613   2.3694  17.613   2.3694  46.507  3.2876 46.507  3.2876 0.000000       0.000000 
1 1 1 10 10 69 o 12.572  6.8511 2.0198   1.9141  2.0198   1.9141  2.0198   1.9141  12.572  6.8511 12.572  6.8511 0.000000       0.000000 
1 1 1 10 10 70 o 27.314  4.6923 6.6204   1.8313  6.6204   1.8313  6.6204   1.8313  27.314  4.6923 27.314  4.6923 0.000000       0.000000 
1 1 1 10 10 71 o 14.275  7.4170 2.7308   2.1545  2.7308   2.1545  2.7308   2.1545  14.275  7.4170 14.275  7.4170 -0.000000      0.000000 
1 1 1 10 10 72 o 26.893  4.2604 6.3351   1.6612  6.3351   1.6612  6.3351   1.6612  26.893  4.2604 26.893  4.2604 -0.000000      0.000000 
1 1 1 10 10 73 f 29.883  3.7956 7.6166   1.6999  7.6166   1.6999  7.6166   1.6999  29.883  3.7956 29.883  3.7956 -0.000000      0.000000 
1 1 1 10 10 74 o 33.503  4.1788 9.6733   2.1026  9.6733   2.1026  9.6733   2.1026  33.503  4.1788 33.503  4.1788 -0.000000      0.000000 
1 1 1 10 10 75 o 8.3083  5.7022 -1.0036  2.3971  -1.0036  2.3971  -1.0036  2.3971  8.3083  5.7022 8.3083  5.7022 -0.000000      0.000000 
1 1 1 10 10 76 o 20.242  8.1565 5.2886   2.5235  5.2886   2.5235  5.2886   2.5235  20.242  8.1565 20.242  8.1565 0.000000       0.000000 
1 1 1 10 10 77 o 37.834  4.7581 12.809   2.7009  12.809   2.7009  12.809   2.7009  37.834  4.7581 37.834  4.7581 0.000000       0.000000 
1 1 1 11 0  0  o 864.411 10.278 5862.54  139.232 5862.54  139.232 5862.54  139.232 864.411 10.278 864.411 10.278 -0.000000      0.000000 
1 1 1 11 0  1  o 345.301 3.0828 934.902  16.685  934.902  16.685  934.902  16.685  345.301 3.0828 345.301 3.0828 -0.000000      0.000000 
1 1 1 11 0  2  o 120.060 1.6323 113.051  3.0709  113.051  3.0709  113.051  3.0709  120.060 1.6323 120.060 1.6323 0.000000       0.000000 
1 1 1 11 0  3  o 224.267 2.4067 394.394  8.4590  394.394  8.4590  394.394  8.4590  224.267 2.4067 224.267 2.4067 0.000000       0.000000 
1 1 1 11 0  4  o 71.745  2.0171 40.444   2.2646  40.444   2.2646  40.444   2.2646  71.745  2.0171 71.745  2.0171 -0.000000      0.000000 
1 1 1 11 0  5  o 41.571  2.1866 13.659   1.4160  13.659   1.4160  13.659   1.4160  41.571  2.1866 41.571  2.1866 0.000000       0.000000 
1 1 1 11 0  6  o 638.813 5.4212 3200.38  54.281  3200.38  54.281  3200.38  54.281  638.813 5.4212 638.813 5.4212 0.000000       0.000000 
1 1 1 11 0  7  o 9.1984  5.3141 0.8148   1.2403  0.8148   1.2403  0.8148   1.2403  9.1984  5.3141 9.1984  5.3141 0.000000       0.000000 
1 1 1 11 0  8  o 132.738 1.8368 138.190  3.8205  138.190  3.8205  138.190  3.8205  132.738 1.8368 132.738 1.8368 0.000000       0.000000 
1 1 1 11 0  9  o 533.918 5.0062 2235.67  41.894  2235.67  41.894  2235.67  41.894  533.918 5.0062 533.918 5.0062 0.000000       0.000000 
1 1 1 11 0  10 o 60.316  1.9168 28.604   1.8083  28.604   1.8083  28.604   1.8083  60.316  1.9168 60.316  1.9168 0.000000       0.000000 
1 1 1 11 0  11 o 150.561 1.9187 177.779  4.5271  177.779  4.5271  177.779  4.5271  150.561 1.9187 150.561 1.9187 0.000000       0.000000 
1 1 1 11 0  12 o 335.461 3.2950 882.446  17.324  882.446  17.324  882.446  17.324  335.461 3.2950 335.461 3.2950 0.000000       0.000000 
1 1 1 11 0  13 o 253.344 2.6282 503.292  10.436  503.292  10.436  503.292  10.436  253.344 2.6282 253.344 2.6282 0.000000       0.000000 
1 1 1 11 0  14 o 168.047 2.0260 221.459  5.3355  221.459  5.3355  221.459  5.3355  168.047 2.0260 168.047 2.0260 -0.000000      0.000000 
1 1 1 11 0  15 o 842.463 7.7621 5568.76  102.495 5568.76  102.495 5568.76  102.495 842.463 7.7621 842.463 7.7621 -0.000000      0.000000 
1 1 1 11 0  16 o 18.098  6.3798 3.3727   1.6437  3.3727   1.6437  3.3727   1.6437  18.098  6.3798 18.098  6.3798 -0.000000      0.000000 
1 1 1 11 0  17 f 424.796 4.0559 1415.13  27.004  1415.13  27.004  1415.13  27.004  424.796 4.0559 424.796 4.0559 -0.000000      0.000000 
1 1 1 11 0  18 o 116.239 2.0079 106.007  3.6564  106.007  3.6564  106.007  3.6564  116.239 2.0079 116.239 2.0079 0.000000       0.000000 
1 1 1 11 0  19 o 35.117  2.7365 9.8420   1.4854  9.8420   1.4854  9.8420   1.4854  35.117  2.7365 35.117  2.7365 0.000000       0.000000 
1 1 1 11 0  20 f 367.528 3.5658 1059.28  20.540  1059.28  20.540  1059.28  20.540  367.528 3.5658 367.528 3.5658 0.000000       0.000000 
1 1 1 11 0  21 o 481.394 4.5511 1817.54  34.339  1817.54  34.339  1817.54  34.339  481.394 4.5511 481.394 4.5511 -0.000000      0.000000 
1 1 1 11 0  22 o 203.345 2.5309 324.294  8.0652  324.294  8.0652  324.294  8.0652  203.345 2.5309 203.345 2.5309 0.000000       0.000000 
1 1 1 11 0  23 o 7.3796  4.7450 0.0101   1.2569  0.0101   1.2569  0.0101   1.2569  7.3796  4.7450 7.3796  4.7450 -0.000000      0.000000 
1 1 1 11 0  24 o 153.796 1.9328 185.503  4.6583  185.503  4.6583  185.503  4.6583  153.796 1.9328 153.796 1.9328 0.000000       0.000000 
1 1 1 11 0  25 f 666.128 6.1821 3481.84  64.545  3481.84  64.545  3481.84  64.545  666.128 6.1821 666.128 6.1821 0.000000       0.000000 
1 1 1 11 0  26 f 103.692 1.7278 84.353   2.8068  84.353   2.8068  84.353   2.8068  103.692 1.7278 103.692 1.7278 -0.000000      0.000000 
1 1 1 11 0  27 o 93.402  1.7313 68.457   2.5330  68.457   2.5330  68.457   2.5330  93.402  1.7313 93.402  1.7313 -0.000000      0.000000 
1 1 1 11 0  28 o 311.537 3.4704 761.299  16.944  761.299  16.944  761.299  16.944  311.537 3.4704 311.537 3.4704 -0.000000      0.000000 
1 1 1 11 0  29 o 208.839 2.5707 342.086  8.4133  342.086  8.4133  342.086  8.4133  208.839 2.5707 208.839 2.5707 0.000000       0.000000 
1 1 1 11 0  30 o 317.194 4.0474 789.460  20.118  789.460  20.118  789.460  20.118  317.194 4.0474 317.194 4.0474 -0.000000      0.000000 
1 1 1 11 0  31 f 103.375 1.9809 83.867   3.2075  83.867   3.2075  83.867   3.2075  103.375 1.9809 103.375 1.9809 -0.000000      0.000000 
1 1 1 11 0  32 o 125.279 2.9380 123.266  5.7630  123.266  5.7630  123.266  5.7630  125.279 2.9380 125.279 2.9380 -0.000000      0.000000 
1 1 1 11 0  33 o 283.045 3.7550 628.666  16.655  628.666  16.655  628.666  16.655  283.045 3.7550 283.045 3.7550 0.000000       0.000000 
1 1 1 11 0  34 o 320.621 3.5709 806.519  17.943  806.519  17.943  806.519  17.943  320.621 3.5709 320.621 3.5709 -0.000000      0.000000 
1 1 1 11 0  35 o 301.147 3.3992 711.507  16.043  711.507  16.043  711.507  16.043  301.147 3.3992 301.147 3.3992 0.000000       0.000000 
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1 1 1 11 0  39 o 333.134 3.0116 870.532  15.725  870.532  15.725  870.532  15.725  333.134 3.0116 333.134 3.0116 0.000000       0.000000 
1 1 1 11 0  40 o 296.906 2.9967 691.542  13.945  691.542  13.945  691.542  13.945  296.906 2.9967 296.906 2.9967 0.000000       0.000000 
1 1 1 11 0  41 o 58.872  1.9956 27.267   1.8370  27.267   1.8370  27.267   1.8370  58.872  1.9956 58.872  1.9956 0.000000       0.000000 
1 1 1 11 0  42 o 190.685 2.2012 285.211  6.5782  285.211  6.5782  285.211  6.5782  190.685 2.2012 190.685 2.2012 0.000000       0.000000 
1 1 1 11 0  43 o 115.148 1.9432 104.045  3.5056  104.045  3.5056  104.045  3.5056  115.148 1.9432 115.148 1.9432 0.000000       0.000000 
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1 1 1 11 0  47 o 214.055 3.0937 359.716  10.376  359.716  10.376  359.716  10.376  214.055 3.0937 214.055 3.0937 0.000000       0.000000 
1 1 1 11 0  48 o 66.302  2.1479 34.583   2.2272  34.583   2.2272  34.583   2.2272  66.302  2.1479 66.302  2.1479 0.000000       0.000000 
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1 1 1 11 0  50 o 11.495  5.9311 1.5201   1.3706  1.5201   1.3706  1.5201   1.3706  11.495  5.9311 11.495  5.9311 0.000000       0.000000 
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1 1 1 11 0  52 o 60.808  1.9709 29.097   1.8744  29.097   1.8744  29.097   1.8744  60.808  1.9709 60.808  1.9709 0.000000       0.000000 
1 1 1 11 0  53 o 90.551  1.5762 64.365   2.2360  64.365   2.2360  64.365   2.2360  90.551  1.5762 90.551  1.5762 0.000000       0.000000 
1 1 1 11 0  54 o 61.646  1.5745 29.865   1.5194  29.865   1.5194  29.865   1.5194  61.646  1.5745 61.646  1.5745 0.000000       0.000000 
1 1 1 11 0  55 o 52.881  1.6266 21.998   1.3456  21.998   1.3456  21.998   1.3456  52.881  1.6266 52.881  1.6266 0.000000       0.000000 
1 1 1 11 0  56 o 121.870 1.5140 116.560  2.8915  116.560  2.8915  116.560  2.8915  121.870 1.5140 121.870 1.5140 0.000000       0.000000 
1 1 1 11 0  57 o 142.006 1.5905 158.273  3.5397  158.273  3.5397  158.273  3.5397  142.006 1.5905 142.006 1.5905 0.000000       0.000000 
1 1 1 11 0  58 o 11.691  4.6864 1.4935   0.8343  1.4935   0.8343  1.4935   0.8343  11.691  4.6864 11.691  4.6864 0.000000       0.000000 
1 1 1 11 0  59 o 85.579  1.3453 57.495   1.8039  57.495   1.8039  57.495   1.8039  85.579  1.3453 85.579  1.3453 0.000000       0.000000 
1 1 1 11 0  60 o 57.276  2.4019 25.921   2.1481  25.921   2.1481  25.921   2.1481  57.276  2.4019 57.276  2.4019 0.000000       0.000000 
1 1 1 11 0  61 o 51.127  2.5255 20.707   2.0129  20.707   2.0129  20.707   2.0129  51.127  2.5255 51.127  2.5255 0.000000       0.000000 
1 1 1 11 0  62 o 112.394 2.1252 99.378   3.7415  99.378   3.7415  99.378   3.7415  112.394 2.1252 112.394 2.1252 0.000000       0.000000 
1 1 1 11 0  63 o 100.967 2.3686 80.313   3.7444  80.313   3.7444  80.313   3.7444  100.967 2.3686 100.967 2.3686 0.000000       0.000000 
1 1 1 11 0  64 o 123.647 2.4845 120.470  4.8116  120.470  4.8116  120.470  4.8116  123.647 2.4845 123.647 2.4845 0.000000       0.000000 
1 1 1 11 0  65 o 39.435  2.9162 12.461   1.7801  12.461   1.7801  12.461   1.7801  39.435  2.9162 39.435  2.9162 0.000000       0.000000 
1 1 1 11 0  66 o 106.478 2.1415 89.296   3.5714  89.296   3.5714  89.296   3.5714  106.478 2.1415 106.478 2.1415 0.000000       0.000000 
1 1 1 11 0  67 o 84.370  1.8577 56.043   2.4543  56.043   2.4543  56.043   2.4543  84.370  1.8577 84.370  1.8577 0.000000       0.000000 
1 1 1 11 0  68 f 5.4817  3.9054 -2.0722  1.4751  -2.0722  1.4751  -2.0722  1.4751  5.4817  3.9054 5.4817  3.9054 0.000000       0.000000 
1 1 1 11 0  69 o 56.696  3.0702 25.667   2.7105  25.667   2.7105  25.667   2.7105  56.696  3.0702 56.696  3.0702 0.000000       0.000000 
1 1 1 11 0  70 o 118.324 2.1493 110.455  3.9838  110.455  3.9838  110.455  3.9838  118.324 2.1493 118.324 2.1493 0.000000       0.000000 
1 1 1 11 0  71 o 8.3084  5.0325 0.5615   1.2108  0.5615   1.2108  0.5615   1.2108  8.3084  5.0325 8.3084  5.0325 0.000000       0.000000 
1 1 1 11 0  72 o 77.720  1.8222 47.660   2.2173  47.660   2.2173  47.660   2.2173  77.720  1.8222 77.720  1.8222 0.000000       0.000000 
1 1 1 11 0  73 o 7.0775  4.5869 0.0059   1.2062  0.0059   1.2062  0.0059   1.2062  7.0775  4.5869 7.0775  4.5869 0.000000       0.000000 
1 1 1 11 0  74 o 38.153  2.2770 11.642   1.3508  11.642   1.3508  11.642   1.3508  38.153  2.2770 38.153  2.2770 0.000000       0.000000 
1 1 1 11 0  75 o 17.174  4.8313 2.8822   1.1260  2.8822   1.1260  2.8822   1.1260  17.174  4.8313 17.174  4.8313 0.000000       0.000000 
1 1 1 11 0  76 o 23.192  3.1261 4.5261   1.0785  4.5261   1.0785  4.5261   1.0785  23.192  3.1261 23.192  3.1261 0.000000       0.000000 
1 1 1 11 0  77 o 25.048  5.9250 5.9950   2.0201  5.9950   2.0201  5.9950   2.0201  25.048  5.9250 25.048  5.9250 0.000000       0.000000 
1 1 1 11 0  78 o 55.717  3.2197 25.243   2.7908  25.243   2.7908  25.243   2.7908  55.717  3.2197 55.717  3.2197 0.000000       0.000000 
1 1 1 11 0  79 o 37.854  4.1853 12.163   2.4061  12.163   2.4061  12.163   2.4061  37.854  4.1853 37.854  4.1853 0.000000       0.000000 
1 1 1 11 0  80 o 24.855  6.4128 6.1606   2.1595  6.1606   2.1595  6.1606   2.1595  24.855  6.4128 24.855  6.4128 0.000000       0.000000 
1 1 1 11 0  81 o 11.297  7.1701 1.0967   2.7589  1.0967   2.7589  1.0967   2.7589  11.297  7.1701 11.297  7.1701 0.000000       0.000000 
1 1 1 11 0  82 o 12.392  7.6619 1.8485   2.9391  1.8485   2.9391  1.8485   2.9391  12.392  7.6619 12.392  7.6619 0.000000       0.000000 
1 1 1 11 0  83 o 27.235  10.653 10.432   4.3491  10.432   4.3491  10.432   4.3491  27.235  10.653 27.235  10.653 0.000000       0.000000 
1 1 1 11 1  0  o 186.872 2.1607 273.846  6.3280  273.846  6.3280  273.846  6.3280  186.872 2.1607 186.872 2.1607 0.000000       0.000000 
1 1 1 11 1  1  o 277.270 1.9967 602.654  8.6789  595.770  12.138  609.854  12.414  275.670 2.8088 278.909 2.8392 -3.238678      3.993771 
1 1 1 11 1  2  o 160.434 1.4079 201.760  3.5410  200.221  4.9709  203.346  5.0453  159.817 1.9841 161.060 1.9983 -1.242538      2.815954 
1 1 1 11 1  3  o 264.240 1.8356 547.336  7.6036  539.455  10.150  557.415  11.478  262.323 2.4682 266.649 2.7459 -4.326447      3.692163 
1 1 1 11 1  4  o 393.988 2.5573 1216.90  15.795  1203.22  21.136  1234.21  23.770  391.743 3.4416 396.743 3.8217 -5.000641      5.142991 
1 1 1 11 1  5  o 198.103 1.5037 307.630  4.6698  313.454  6.4094  301.041  6.8178  199.965 2.0446 195.964 2.2193 4.001038       3.017560 
1 1 1 11 1  6  o 289.532 1.9696 657.136  8.9398  651.382  11.994  664.328  13.410  288.251 2.6542 291.096 2.9386 -2.845093      3.959826 
1 1 1 11 1  7  o 249.265 1.7559 487.056  6.8614  484.188  9.2465  490.570  10.236  248.523 2.3733 250.152 2.6101 -1.629211      3.527821 
1 1 1 11 1  8  o 143.707 1.2831 161.882  2.8906  162.861  3.9223  160.718  4.2763  144.139 1.7358 143.186 1.9051 0.9526215      2.577295 
1 1 1 11 1  9  o 240.806 1.7127 454.557  6.4656  454.515  8.7467  454.606  9.6003  240.788 2.3172 240.809 2.5431 -0.2091980E-01 3.440409 
1 1 1 11 1  10 o 791.181 4.9271 4909.44  61.112  4861.78  81.964  4969.10  91.704  787.141 6.6423 795.685 7.3518 -8.544006      9.908008 
1 1 1 11 1  11 o 880.358 5.4629 6079.43  75.394  6041.82  101.383 6125.96  112.769 877.365 7.3711 883.323 8.1436 -5.957153      10.98414 
1 1 1 11 1  12 o 327.750 2.1823 842.093  11.213  846.570  15.255  836.833  16.537  328.603 2.9614 326.701 3.2289 1.901947       4.381293 
1 1 1 11 1  13 o 88.133  1.2165 60.886   1.6808  59.993   2.2584  61.993   2.5165  87.483  1.6468 88.929  1.8051 -1.445717      2.443405 
1 1 1 11 1  14 o 291.680 2.1994 666.950  10.057  666.152  13.483  667.952  15.100  291.491 2.9506 291.876 3.3000 -0.3851929     4.426746 
1 1 1 11 1  15 o 537.916 3.4032 2268.76  28.698  2245.10  38.416  2298.64  43.170  535.035 4.5801 541.342 5.0869 -6.306458      6.844982 
1 1 1 11 1  16 o 228.104 1.6552 407.871  5.9189  408.430  8.0019  407.195  8.7955  228.253 2.2363 227.904 2.4618 0.3486176      3.325855 
1 1 1 11 1  17 o 121.165 1.2955 115.079  2.4607  113.127  3.4534  117.093  3.5071  120.130 1.8338 122.217 1.8305 -2.087341      2.591026 
1 1 1 11 1  18 o 351.204 2.3159 966.972  12.751  975.026  17.409  957.651  18.728  352.639 3.1491 349.474 3.4184 3.165588       4.647811 
1 1 1 11 1  19 o 475.081 3.0311 1769.64  22.574  1773.25  30.634  1765.35  33.394  475.506 4.1096 474.422 4.4901 1.083923       6.086819 
1 1 1 11 1  20 o 685.588 4.2893 3686.52  46.100  3648.58  61.773  3734.23  69.259  681.879 5.7788 689.748 6.4052 -7.869263      8.626745 
1 1 1 11 1  21 o 320.615 2.1436 805.863  10.774  796.038  14.417  818.293  16.215  318.633 2.8862 323.045 3.2019 -4.412292      4.310725 
1 1 1 11 1  22 o 458.269 3.0775 1646.72  22.109  1660.17  31.522  1633.71  31.019  460.052 4.3707 456.374 4.3356 3.678253       6.156325 
1 1 1 11 1  23 o 531.118 3.3639 2212.11  28.008  2203.58  37.784  2222.51  41.728  529.992 4.5477 532.217 5.0013 -2.225098      6.759801 
1 1 1 11 1  24 o 229.331 1.6598 412.291  5.9673  410.298  8.0251  414.756  8.9245  228.765 2.2377 229.999 2.4752 -1.233719      3.336765 
1 1 1 11 1  25 o 63.225  1.2717 31.335   1.2605  33.033   1.7155  29.344   1.8582  64.913  1.6858 61.180  1.9375 3.733490       2.568241 
1 1 1 11 1  26 o 49.009  1.4265 18.828   1.0960  19.321   1.4904  18.249   1.6172  49.643  1.9151 48.245  2.1382 1.398163       2.870462 
1 1 1 11 1  27 o 39.317  1.7403 12.119   1.0727  12.298   1.4415  11.897   1.6056  39.534  2.3363 38.861  2.6514 0.6731110      3.533894 
1 1 1 11 1  28 o 348.497 2.3022 952.280  12.578  942.848  16.878  964.059  18.862  346.720 3.1052 350.575 3.4320 -3.855011      4.628265 
1 1 1 11 1  29 o 112.192 1.1874 98.670   2.0884  99.298   2.8299  97.920   3.0948  112.544 1.6040 111.758 1.7664 0.7855911      2.386014 
1 1 1 11 1  30 o 427.982 3.0444 1436.72  20.426  1439.67  27.462  1433.06  30.559  428.304 4.0900 427.255 4.5625 1.048767       6.127318 
1 1 1 11 1  31 o 242.951 1.7233 462.762  6.5636  461.267  8.8598  464.581  9.7717  242.536 2.3302 243.395 2.5610 -0.8594971     3.462429 
1 1 1 11 1  32 f 222.820 1.7029 389.254  5.9482  392.648  8.4809  385.968  8.3449  223.763 2.4177 221.852 2.3994 1.911026       3.406215 
1 1 1 11 1  33 o 97.963  1.2403 75.232   1.9047  80.256   2.8070  70.944   2.5931  101.174 1.7698 95.124  1.7389 6.049835       2.481111 
1 1 1 11 1  34 o 11.737  4.0704 0.9670   0.9144  -0.2194  1.2610  2.2832   1.3281  9.9865  4.3363 16.848  4.7974 -6.861820      6.466714 
1 1 1 11 1  35 o 226.870 2.0887 403.597  7.4286  405.623  9.7013  400.726  11.550  227.408 2.7213 225.999 3.2600 1.409393       4.246541 
1 1 1 11 1  36 o 192.440 1.7592 290.360  5.3072  284.154  6.4834  302.965  9.2398  190.358 2.1726 196.519 2.9992 -6.161255      3.703407 
1 1 1 11 1  37 o 148.515 1.6953 172.934  3.9469  170.725  5.0102  176.548  6.4078  147.550 2.1660 150.026 2.7245 -2.475876      3.480600 
1 1 1 11 1  38 o 219.691 2.4124 378.528  8.3082  382.066  9.3772  365.608  17.918  220.699 2.7103 215.672 5.2996 5.026581       5.952423 
1 1 1 11 1  39 o 230.024 2.2141 414.944  7.9840  411.776  11.300  418.101  11.282  229.085 3.1466 230.840 3.1175 -1.754974      4.429456 
1 1 1 11 1  40 o 303.520 2.5568 722.613  12.166  717.748  16.086  729.115  18.595  302.415 3.3930 304.740 3.8924 -2.325317      5.163651 
1 1 1 11 1  41 o 113.329 1.4035 100.694  2.4935  100.198  3.1438  101.535  4.0944  113.042 1.7740 113.780 2.2955 -0.7379150     2.901100 
1 1 1 11 1  42 o 257.261 2.1010 519.044  8.4734  518.812  12.012  519.273  11.955  257.134 2.9798 257.250 2.9644 -0.1157227     4.203242 
1 1 1 11 1  43 o 163.725 1.5089 210.176  3.8729  210.802  5.7909  209.669  5.2093  163.939 2.2533 163.508 2.0323 0.4312592      3.034380 
1 1 1 11 1  44 o 26.066  2.9248 5.3987   1.1745  4.5361   2.0963  5.7934   1.4180  23.536  5.7343 26.948  3.4346 -3.411461      6.684249 
1 1 1 11 1  45 o 45.195  1.7242 16.018   1.2216  14.171   2.0719  17.002   1.5125  42.372  3.1414 46.558  2.0723 -4.185528      3.763360 
1 1 1 11 1  46 o 207.234 1.6630 336.778  5.4026  332.496  8.5360  339.640  6.9782  205.840 2.6453 208.081 2.1392 -2.241211      3.402037 
1 1 1 11 1  47 o 84.373  1.4596 55.821   1.9306  52.332   2.8391  58.821   2.6331  81.673  2.2174 86.598  1.9396 -4.924805      2.945986 
1 1 1 11 1  48 o 181.559 1.5534 258.507  4.4213  259.729  6.2385  257.274  6.2670  181.943 2.1872 181.079 2.2077 0.8635101      3.107696 
1 1 1 11 1  49 o 106.126 1.2757 88.314   2.1223  86.196   2.8416  90.985   3.1916  104.829 1.7291 107.694 1.8905 -2.865486      2.561970 
1 1 1 11 1  50 o 119.882 1.2210 112.696  2.2947  112.956  2.9643  112.306  3.6248  120.005 1.5757 119.639 1.9327 0.3662186      2.493594 
1 1 1 11 1  51 o 76.012  1.2212 45.309   1.4552  44.877   1.8562  45.999   2.3442  75.637  1.5654 76.561  1.9531 -0.9238968     2.503063 
1 1 1 11 1  52 o 115.532 1.1970 104.676  2.1679  106.254  2.8140  102.373  3.4003  116.380 1.5424 114.211 1.8991 2.169815       2.446540 
1 1 1 11 1  53 o 46.417  1.7058 16.908   1.2413  16.503   1.7901  17.282   1.7227  45.760  2.5049 46.904  2.3428 -1.143921      3.429776 
1 1 1 11 1  54 o 41.146  1.4446 13.282   0.9318  12.267   1.2048  14.793   1.4700  39.527  1.9444 43.397  2.1607 -3.869953      2.906726 
1 1 1 11 1  55 o 31.293  1.7041 7.7095   0.8329  7.8707   1.0765  7.4692   1.3144  31.575  2.1883 30.688  2.7618 0.8871479      3.523700 
1 1 1 11 1  56 o 114.590 1.1220 102.995  2.0156  100.550  2.6350  106.444  3.1293  113.192 1.4850 116.439 1.7143 -3.246986      2.268050 
1 1 1 11 1  57 o 62.528  1.1525 30.671   1.1297  30.535   1.4162  30.908   1.8734  62.376  1.4483 62.727  1.9052 -0.3508720     2.393148 
1 1 1 11 1  58 o 10.149  3.4739 0.7448   0.6651  1.4429   0.8685  -0.2456  1.0344  13.377  3.9011 8.8714  3.8882 4.505291       5.507830 
1 1 1 11 1  59 o 62.211  1.2919 30.371   1.2600  28.754   2.0380  31.371   1.6030  60.469  2.1499 63.206  1.6178 -2.736408      2.690623 
1 1 1 11 1  60 o 51.056  1.3684 20.461   1.0952  19.150   1.8321  21.190   1.3662  49.324  2.3694 51.938  1.6779 -2.614586      2.903364 
1 1 1 11 1  61 o 55.138  1.2782 23.861   1.1049  23.654   1.8718  23.972   1.3687  54.829  2.1777 55.247  1.5804 -0.4178658     2.690713 
1 1 1 11 1  62 o 17.218  2.6787 2.3925   0.6996  3.8587   1.5332  2.0071   0.7862  21.587  4.6665 15.639  3.3098 5.948031       5.721135 
1 1 1 11 1  63 o 68.637  1.6108 37.013   1.7333  36.058   2.4027  38.050   2.5028  67.668  2.2649 69.507  2.2969 -1.838882      3.225797 
1 1 1 11 1  64 f 72.333  1.6959 41.125   1.9231  43.584   2.5462  37.859   2.9342  74.396  2.1832 69.253  2.7027 5.142845       3.474300 
1 1 1 11 1  65 o 23.639  3.2019 4.5049   1.1560  6.0663   1.6594  3.0325   1.6113  27.320  3.9923 19.090  5.2298 8.229939       6.579426 
1 1 1 11 1  66 o 20.076  3.7520 3.3090   1.1374  3.5454   1.5702  3.0481   1.6499  20.587  4.9303 19.124  5.3130 1.462944       7.248156 
1 1 1 11 1  67 o 87.853  1.5638 60.680   2.1537  57.821   2.9839  63.789   3.1117  85.627  2.2229 89.941  2.2069 -4.314140      3.132393 
1 1 1 11 1  68 o 42.467  2.1010 14.220   1.3987  16.718   2.4642  13.033   1.6989  45.687  3.4663 40.492  2.6918 5.195599       4.388751 
1 1 1 11 1  69 o 39.841  2.1604 12.564   1.3443  10.628   2.2754  13.603   1.6662  36.162  4.0854 41.375  2.5816 -5.212910      4.832766 
1 1 1 11 1  70 o 38.011  1.8155 11.386   1.0818  11.700   1.4686  11.014   1.5997  38.370  2.4544 37.154  2.7662 1.215199       3.698145 
1 1 1 11 1  71 o 43.358  1.6697 14.810   1.1349  16.690   1.5843  12.829   1.6266  45.942  2.1997 40.130  2.5995 5.812931       3.405303 
1 1 1 11 1  72 o 12.445  4.0306 1.2241   0.8978  1.5690   1.2012  0.7876   1.3513  14.102  4.6673 12.268  4.8144 1.834323       6.705333 
1 1 1 11 1  73 o 33.162  1.9042 8.7173   0.9858  8.9698   1.3092  8.3868   1.4980  33.504  2.5109 32.259  2.9963 1.244453       3.909300 
1 1 1 11 1  74 o 22.502  2.9174 4.1146   1.0049  4.0899   1.1400  4.2007   2.1277  22.306  3.3648 21.824  6.0224 0.4828300      6.898660 
1 1 1 11 1  75 o 23.044  2.6094 4.2890   0.9260  4.1138   1.1137  4.6815   1.6669  22.376  3.2716 23.393  4.7084 -1.016512      5.733475 
1 1 1 11 1  76 o 23.091  3.2381 4.3803   1.1399  4.6639   2.0839  4.2592   1.3618  22.890  5.8002 22.504  4.0069 0.3856716      7.049655 
1 1 1 11 1  77 o 29.167  2.5715 6.8517   1.1638  4.2672   2.1091  7.9831   1.3954  21.788  5.9893 31.403  2.8661 -9.614960      6.639742 
1 1 1 11 1  78 o 38.293  2.0601 11.682   1.2322  12.419   2.3119  11.389   1.4562  38.732  3.8588 37.674  2.4795 1.058056       4.586754 
1 1 1 11 1  79 o 23.279  3.1140 4.4538   1.1079  4.4412   2.8706  4.4560   1.2010  21.879  7.2138 23.183  3.4062 -1.304140      7.977508 
1 1 1 11 1  80 o 20.491  4.8038 3.6826   1.5163  2.1201   2.0773  5.4643   2.2183  16.448  6.0826 24.541  5.8489 -8.092821      8.438477 
1 1 1 11 1  81 o 25.853  5.4010 5.9793   2.1184  7.6007   3.0754  4.5155   2.9221  28.148  6.9992 21.772  7.2821 6.375349       10.10036 
1 1 1 11 1  82 o 22.102  5.9498 4.5455   2.1072  -0.2925  2.8859  10.070   3.0840  14.068  6.3107 32.992  6.1902 -18.92378      8.839849 
1 1 1 11 1  83 o 40.019  3.7384 13.452   2.3182  9.5560   3.2062  17.719   3.3556  31.443  6.7090 45.015  4.8306 -13.57171      8.267132 
1 1 1 11 2  0  o 618.343 5.7625 2998.91  55.848  2998.91  55.848  2998.91  55.848  618.343 5.7625 618.343 5.7625 0.000000       0.000000 
1 1 1 11 2  1  o 31.373  2.3248 7.7583   1.1353  7.2774   1.5456  8.3217   1.6730  30.286  3.3091 32.407  3.3410 -2.120787      4.702425 
1 1 1 11 2  2  o 711.562 4.6624 3970.82  52.009  4030.00  74.658  3915.02  72.493  716.648 6.6453 706.362 6.5466 10.28571       9.328340 
1 1 1 11 2  3  o 468.183 3.1417 1718.54  23.059  1688.84  32.048  1750.43  33.203  464.065 4.4052 472.447 4.4830 -8.382324      6.285130 
1 1 1 11 2  4  o 50.851  1.6120 20.270   1.2850  19.087   1.7566  21.632   1.8847  49.343  2.2709 52.530  2.2887 -3.187103      3.224133 
1 1 1 11 2  5  o 458.948 3.0848 1651.40  22.194  1628.50  30.910  1675.77  31.888  455.702 4.3267 462.265 4.4003 -6.563324      6.171173 
1 1 1 11 2  6  f 651.494 4.5151 3328.64  46.114  3402.28  63.310  3245.41  67.303  658.519 6.1327 643.103 6.6758 15.41632       9.065071 
1 1 1 11 2  7  o 456.022 3.0665 1630.42  21.922  1673.37  31.813  1591.58  30.251  461.932 4.3932 450.507 4.2834 11.42511       6.135727 
1 1 1 11 2  8  o 627.871 4.3589 3091.55  42.905  3150.56  65.583  3047.40  56.728  633.635 6.6024 623.253 5.8061 10.38153       8.792128 
1 1 1 11 2  9  o 275.660 1.9033 595.680  8.2248  594.822  11.120  596.716  12.221  275.451 2.5752 275.884 2.8257 -0.4332581     3.823097 
1 1 1 11 2  10 o 441.967 2.8405 1531.43  19.680  1522.41  26.487  1542.54  29.406  440.626 3.8345 443.510 4.2294 -2.884216      5.708868 
1 1 1 11 2  11 o 83.896  1.2485 55.173   1.6420  53.270   2.2015  57.559   2.4650  82.435  1.7036 85.689  1.8350 -3.253853      2.503893 
1 1 1 11 2  12 o 159.352 1.3551 199.050  3.3853  199.923  4.5999  198.019  5.0001  159.698 1.8373 158.934 2.0068 0.7636719      2.720874 
1 1 1 11 2  13 o 240.835 1.6536 454.672  6.2431  455.577  8.1913  453.417  9.6433  241.068 2.1675 240.490 2.5579 0.5786438      3.352724 
1 1 1 11 2  14 o 165.150 1.3877 213.798  3.5927  212.777  4.8655  215.022  5.3275  164.751 1.8838 165.616 2.0520 -0.8650513     2.785566 
1 1 1 11 2  15 o 336.184 2.1429 886.011  11.293  892.768  14.903  876.896  17.308  337.447 2.8172 334.419 3.3015 3.028107       4.340056 
1 1 1 11 2  16 o 219.696 1.5513 378.355  5.3429  372.726  6.9020  386.773  8.4400  218.049 2.0191 222.114 2.4239 -4.064651      3.154708 
1 1 1 11 2  17 o 319.629 2.1513 800.906  10.780  802.585  13.557  798.018  17.776  319.950 2.7029 319.010 3.5544 0.9395752      4.465390 
1 1 1 11 2  18 o 209.556 1.5701 344.239  5.1581  352.352  7.1040  335.192  7.5015  212.003 2.1375 206.774 2.3142 5.229584       3.150294 
1 1 1 11 2  19 o 398.911 2.4848 1247.59  15.539  1239.82  20.233  1258.76  24.263  397.635 3.2458 400.629 3.8632 -2.993225      5.045751 
1 1 1 11 2  20 o 509.083 3.0990 2032.18  24.733  2011.27  32.042  2063.00  38.902  506.392 4.0363 512.792 4.8393 -6.400574      6.301570 
1 1 1 11 2  21 o 159.137 1.4208 198.518  3.5446  196.944  4.9919  200.118  5.0341  158.498 2.0090 159.770 2.0099 -1.272034      2.841808 
1 1 1 11 2  22 o 360.401 2.3764 1018.37  13.426  1035.17  18.475  999.563  19.546  363.322 3.2437 357.005 3.4924 6.316315       4.766417 
1 1 1 11 2  23 o 368.128 2.4167 1062.54  13.947  1056.84  17.388  1072.82  23.354  367.111 3.0213 369.811 4.0284 -2.700745      5.035487 
1 1 1 11 2  24 o 137.046 1.2163 147.228  2.6131  147.852  3.4377  146.374  4.0215  137.332 1.5968 136.641 1.8774 0.6915894      2.464610 
1 1 1 11 2  25 o 183.540 1.3881 264.078  3.9939  266.698  5.2738  260.555  6.1158  184.441 1.8239 182.298 2.1400 2.143127       2.811840 
1 1 1 11 2  26 o 337.414 2.2423 892.656  11.861  896.225  16.119  888.441  17.515  338.044 3.0416 336.555 3.3198 1.489563       4.502475 
1 1 1 11 2  27 o 197.094 1.5041 304.532  4.6474  303.758  6.2614  305.482  6.9351  196.831 2.0292 197.383 2.2412 -0.5518036     3.023369 
1 1 1 11 2  28 o 448.232 2.8773 1575.75  20.218  1584.67  27.521  1565.30  29.801  449.385 3.9065 446.585 4.2567 2.799805       5.777622 
1 1 1 11 2  29 o 199.070 1.4615 310.674  4.5611  302.242  6.2537  320.256  6.6667  196.336 2.0318 202.100 2.1042 -5.763962      2.925065 
1 1 1 11 2  30 o 160.767 1.3588 202.618  3.4245  201.486  4.5782  204.057  5.1598  160.307 1.8217 161.322 2.0403 -1.014587      2.735203 
1 1 1 11 2  31 o 159.024 1.4090 198.253  3.5127  197.374  4.5072  199.612  5.6062  158.663 1.8121 159.548 2.2414 -0.8855743     2.882273 
1 1 1 11 2  32 o 218.764 1.7656 375.226  6.0552  375.516  7.4642  374.668  10.356  218.834 2.1758 218.545 3.0226 0.2886200      3.724269 
1 1 1 11 2  33 f 129.665 1.4245 131.810  2.8956  132.329  3.7005  130.992  4.6503  129.913 1.8170 129.243 2.2952 0.6692963      2.927355 
1 1 1 11 2  34 o 353.952 2.5737 982.595  14.281  982.210  17.524  983.357  24.641  353.829 3.1594 353.879 4.4416 -0.5004883E-01 5.450659 
1 1 1 11 2  35 o 83.388  1.3118 54.513   1.7149  53.924   2.1289  55.601   2.8940  82.933  1.6375 84.204  2.1924 -1.271492      2.736407 
1 1 1 11 2  36 o 132.036 1.3867 136.675  2.8703  137.233  3.8926  136.011  4.2493  132.295 1.8769 131.700 2.0582 0.5947266      2.785479 
1 1 1 11 2  37 f 237.802 1.7200 443.388  6.4121  427.189  9.1445  459.058  8.9936  233.379 2.4994 241.935 2.3713 -8.556244      3.445311 
1 1 1 11 2  38 f 185.753 1.5617 270.526  4.5475  264.233  6.2204  277.751  6.6650  183.559 2.1617 188.191 2.2592 -4.632843      3.126761 
1 1 1 11 2  39 o 86.605  1.3661 58.803   1.8547  58.647   2.5369  58.982   2.7183  86.483  1.8712 86.726  1.9994 -0.2438202     2.738439 
1 1 1 11 2  40 o 319.832 2.4023 802.343  12.045  815.057  16.265  786.901  17.924  322.270 3.2194 316.606 3.6114 5.664520       4.838023 
1 1 1 11 2  41 o 199.408 1.7305 311.797  5.4097  311.949  7.1422  311.591  8.2854  199.430 2.2845 199.293 2.6520 0.1366730      3.500262 
1 1 1 11 2  42 o 189.597 1.6794 281.869  4.9915  277.039  7.4043  285.893  6.7579  187.922 2.5134 190.917 2.2580 -2.994690      3.378656 
1 1 1 11 2  43 o 113.034 1.3436 100.173  2.3809  99.136   3.3432  101.240  3.3914  112.433 1.8968 113.620 1.9040 -1.186890      2.687608 
1 1 1 11 2  44 o 85.898  1.2857 57.850   1.7314  57.954   2.5985  57.767   2.3218  85.962  1.9282 85.828  1.7256 0.1341705      2.587634 
1 1 1 11 2  45 o 117.671 1.3447 108.565  2.4806  105.425  3.9364  110.634  3.1947  115.928 2.1660 118.775 1.7158 -2.846825      2.763228 
1 1 1 11 2  46 o 241.580 1.8444 457.739  6.9850  450.813  10.969  462.464  9.0593  239.632 2.9199 242.773 2.3804 -3.140808      3.767200 
1 1 1 11 2  47 o 134.609 1.3042 142.077  2.7522  139.962  4.6491  143.218  3.4149  133.559 2.2205 135.136 1.6120 -1.577225      2.743889 
1 1 1 11 2  48 o 50.425  1.3684 19.939   1.0817  20.938   1.6927  19.250   1.4064  51.658  2.0902 49.538  1.8110 2.120472       2.765586 
1 1 1 11 2  49 o 116.524 1.1510 106.465  2.1025  104.194  3.1322  108.328  2.8365  115.248 1.7336 117.523 1.5396 -2.274124      2.318563 
1 1 1 11 2  50 o 85.505  1.2140 57.333   1.6273  59.483   2.3490  55.348   2.2566  87.074  1.7208 83.993  1.7138 3.080978       2.428651 
1 1 1 11 2  51 o 16.882  3.4189 2.3238   0.8738  1.8624   1.2363  2.7844   1.2352  15.347  4.6983 18.421  4.3475 -3.074007      6.401136 
1 1 1 11 2  52 o 188.896 1.5228 279.940  4.5093  282.708  6.8263  277.797  6.0063  189.717 2.2952 188.104 2.0368 1.613525       3.068671 
1 1 1 11 2  53 o 93.938  1.2049 69.212   1.7743  69.557   2.2112  68.588   2.9732  94.155  1.4981 93.458  2.0293 0.6971054      2.522391 
1 1 1 11 2  54 o 51.716  1.4926 20.987   1.2101  20.554   1.3686  22.537   2.5900  51.171  1.7061 53.405  3.1070 -2.234009      3.544626 
1 1 1 11 2  55 f 115.244 1.3109 104.200  2.3684  103.518  2.7271  106.291  4.7773  114.848 1.5147 116.232 2.6218 -1.383682      3.027920 
1 1 1 11 2  56 o 26.047  2.0884 5.3656   0.8456  5.4067   1.0104  5.2695   1.5447  26.097  2.5003 25.511  3.9934 0.5862293      4.711571 
1 1 1 11 2  57 o 51.698  1.3025 20.973   1.0556  20.733   1.2568  21.546   1.9449  51.390  1.5601 52.334  2.3706 -0.9443932     2.837886 
1 1 1 11 2  58 o 53.763  1.2288 22.680   1.0356  23.251   1.2288  21.281   1.9241  54.424  1.4403 52.004  2.3601 2.419655       2.764884 
1 1 1 11 2  59 o 45.062  1.8232 15.956   1.2880  14.702   1.7276  17.526   1.9325  43.127  2.5670 47.091  2.6282 -3.964428      3.673786 
1 1 1 11 2  60 o 7.1330  3.3467 -0.9797  0.9472  -1.4836  1.3374  -0.4727  1.3416  8.3356  3.9314 9.8056  4.3570 -1.470020      5.868472 
1 1 1 11 2  61 o 85.602  1.3391 57.525   1.7970  59.457   2.6689  55.922   2.4305  86.953  1.9579 84.344  1.8382 2.608765       2.685549 
1 1 1 11 2  62 o 47.547  1.5147 17.757   1.1291  18.609   1.9122  17.302   1.3989  48.521  2.5227 46.905  1.9025 1.615120       3.159657 
1 1 1 11 2  63 o 39.066  1.6631 11.994   1.0185  9.0033   1.6713  13.761   1.2846  33.576  3.2144 41.823  1.9593 -8.247765      3.764500 
1 1 1 11 2  64 o 13.124  3.7984 1.3993   0.8262  1.9434   1.4555  1.1406   1.0035  15.767  5.1336 12.458  4.2670 3.308940       6.675405 
1 1 1 11 2  65 o 74.948  1.2058 44.101   1.4167  44.319   2.4225  43.987   1.7465  75.016  2.0599 74.819  1.4890 0.1968231      2.541740 
1 1 1 11 2  66 o 30.247  2.5955 7.2818   1.2188  8.2176   1.6141  6.0406   1.8590  32.013  3.2618 27.084  4.5389 4.928970       5.589342 
1 1 1 11 2  67 o 105.258 1.6403 87.153   2.7067  86.010   3.8957  88.220   3.7633  104.360 2.3812 105.728 2.2705 -1.368248      3.290208 
1 1 1 11 2  68 o 49.474  2.1520 19.315   1.6691  19.995   2.6604  18.874   2.1434  49.972  3.4164 48.710  2.8189 1.262238       4.429264 
1 1 1 11 2  69 o 42.309  1.8824 14.111   1.2485  14.784   1.7887  13.471   1.7436  43.106  2.6599 41.126  2.7197 1.979687       3.804213 
1 1 1 11 2  70 o 9.4734  3.9209 0.2218   0.9504  -0.7461  1.2584  1.5071   1.4501  8.9251  4.0687 14.393  5.1151 -5.468219      6.535954 
1 1 1 11 2  71 o 35.976  1.9592 10.250   1.1008  10.226   1.4666  10.281   1.6659  35.786  2.6327 35.785  2.9972 0.1411438E-03  3.989302 
1 1 1 11 2  72 o 13.221  4.1201 1.4189   0.9460  0.7862   1.2285  2.3404   1.4827  11.883  4.6107 16.734  5.1488 -4.850965      6.911478 
1 1 1 11 2  73 o 9.6836  3.8821 0.3992   0.8968  0.3165   1.1293  0.5405   1.4755  10.364  4.2803 12.030  4.9218 -1.666323      6.522717 
1 1 1 11 2  74 o 11.769  3.9785 1.0684   0.8723  2.6968   1.1087  -1.5777  1.4133  17.837  4.0566 8.4198  3.9921 9.416776       5.691431 
1 1 1 11 2  75 o 23.256  3.4361 4.4645   1.2150  4.6931   2.0463  4.3400   1.5100  23.011  5.7018 22.576  4.4248 0.4351616      7.217277 
1 1 1 11 2  76 o 22.084  3.6447 4.0669   1.2178  4.6764   2.0891  3.7532   1.4988  22.868  5.8146 20.831  4.7013 2.036642       7.477362 
1 1 1 11 2  77 o 14.439  4.6539 1.7290   1.1980  2.3301   2.0416  1.4133   1.4796  16.974  6.0653 13.950  5.1381 3.023677       7.949063 
1 1 1 11 2  78 o 27.346  3.3602 6.1595   1.4102  4.8518   2.1727  7.1113   1.8537  23.136  5.9552 29.045  4.1925 -5.908417      7.282944 
1 1 1 11 2  79 o 43.482  2.3286 15.139   1.5815  12.409   2.4270  17.153   2.0850  38.514  4.0819 46.029  2.9044 -7.514248      5.009755 
1 1 1 11 2  80 o 23.832  3.6748 4.7652   1.3288  8.6373   3.0242  3.8388   1.4793  30.468  6.5280 20.962  4.6255 9.506014       8.000684 
1 1 1 11 2  81 o 27.350  3.7655 6.2909   1.5717  4.8047   3.0094  6.8482   1.8430  22.206  7.3892 28.281  4.2916 -6.075554      8.545044 
1 1 1 11 2  82 o 16.967  6.0017 2.5098   1.9942  2.2795   2.7931  2.7493   2.8480  17.292  6.8782 18.130  7.0242 -0.8378563     9.831059 
1 1 1 11 2  83 o 19.446  6.0780 3.5990   2.0569  5.2173   2.9490  2.0658   2.8705  22.542  7.3053 16.837  6.8740 5.705812       10.03091 
1 1 1 11 3  0  o 228.851 2.4882 410.694  8.9243  410.694  8.9243  410.694  8.9243  228.851 2.4882 228.851 2.4882 0.000000       0.000000 
1 1 1 11 3  1  o 496.850 3.3224 1935.55  25.878  1947.09  36.821  1924.28  36.377  498.255 4.7140 495.329 4.6847 2.926666       6.645938 
1 1 1 11 3  2  o 636.662 4.1986 3178.69  41.905  3080.81  57.341  3290.88  61.392  626.644 5.8370 647.635 6.0469 -20.99060      8.404442 
1 1 1 11 3  3  o 450.027 2.8952 1587.81  20.425  1602.28  27.884  1571.06  30.004  452.029 3.9349 447.586 4.2760 4.442596       5.811001 
1 1 1 11 3  4  o 337.856 2.2536 894.844  11.936  898.019  16.193  891.066  17.664  338.435 3.0520 337.114 3.3423 1.321228       4.526162 
1 1 1 11 3  5  o 214.702 1.6069 361.348  5.4086  368.573  7.4564  353.326  7.8572  216.831 2.1936 212.296 2.3609 4.534515       3.222643 
1 1 1 11 3  6  f 69.070  1.3645 37.396   1.4774  38.253   1.9999  36.365   2.1920  69.856  1.8263 68.109  2.0530 1.746231       2.747723 
1 1 1 11 3  7  o 440.699 2.8397 1522.67  19.618  1513.11  26.394  1534.48  29.327  439.272 3.8328 442.343 4.2291 -3.070496      5.707520 
1 1 1 11 3  8  o 393.245 2.5646 1212.36  15.810  1202.66  21.241  1224.41  23.674  391.638 3.4598 395.150 3.8218 -3.511932      5.155174 
1 1 1 11 3  9  o 184.646 1.4709 267.259  4.2578  272.809  5.8479  260.999  6.2112  186.548 1.9997 182.464 2.1714 4.084396       2.951908 
1 1 1 11 3  10 o 404.058 2.6294 1279.97  16.655  1299.93  22.904  1257.58  24.263  407.159 3.5883 400.460 3.8649 6.699432       5.273839 
1 1 1 11 3  11 o 230.797 1.6820 417.562  6.0855  411.785  8.1446  424.863  9.1565  229.187 2.2669 232.794 2.5090 -3.606979      3.381409 
1 1 1 11 3  12 o 337.907 2.2532 895.132  11.936  913.273  16.482  875.129  17.307  341.290 3.0806 334.079 3.3046 7.210815       4.517825 
1 1 1 11 3  13 o 158.956 1.4378 198.065  3.5828  194.592  4.5623  203.654  5.7870  157.553 1.8471 161.175 2.2904 -3.622131      2.942399 
1 1 1 11 3  14 o 177.656 1.5987 247.413  4.4526  250.178  6.0315  244.100  6.6008  178.640 2.1537 176.454 2.3862 2.186493       3.214453 
1 1 1 11 3  15 o 126.131 1.2803 124.706  2.5315  122.674  3.3954  127.251  3.7988  125.095 1.7314 127.406 1.9020 -2.310783      2.571992 
1 1 1 11 3  16 o 261.662 1.8385 536.734  7.5416  539.462  10.245  533.506  11.142  262.313 2.4914 260.855 2.7247 1.457794       3.692003 
1 1 1 11 3  17 o 402.965 2.6244 1273.13  16.579  1249.65  20.380  1319.06  28.506  399.204 3.2565 410.068 4.4344 -10.86420      5.501664 
1 1 1 11 3  18 o 147.960 1.2712 171.608  2.9486  169.042  3.8205  175.389  4.6370  146.846 1.6596 149.574 1.9775 -2.727859      2.581674 
1 1 1 11 3  19 o 229.457 1.6031 412.739  5.7664  423.207  7.7165  399.500  8.6777  232.339 2.1186 225.730 2.4522 6.608734       3.240649 
1 1 1 11 3  20 o 262.531 1.8435 540.324  7.5870  550.183  10.442  529.298  11.043  264.897 2.5145 259.815 2.7112 5.082733       3.697710 
1 1 1 11 3  21 o 169.434 1.3417 225.042  3.5638  226.921  4.6933  222.483  5.4771  170.134 1.7597 168.457 2.0740 1.677017       2.719903 
1 1 1 11 3  22 o 229.890 1.6067 414.311  5.7905  412.522  8.1129  416.167  8.2674  229.378 2.2562 230.389 2.2890 -1.010223      3.214019 
1 1 1 11 3  23 o 383.965 2.6325 1156.06  15.846  1159.36  20.492  1151.15  24.991  384.461 3.4000 383.033 4.1619 1.427399       5.374134 
1 1 1 11 3  24 o 148.475 1.3755 172.816  3.2016  171.361  4.1081  175.067  5.1097  147.843 1.7725 149.426 2.1813 -1.582993      2.810650 
1 1 1 11 3  25 o 114.110 1.3305 102.076  2.3801  101.798  2.9377  102.608  4.0602  113.951 1.6445 114.395 2.2641 -0.4436035     2.798308 
1 1 1 11 3  26 o 353.082 2.5757 977.646  14.257  984.112  17.591  965.269  24.339  354.205 3.1680 350.677 4.4273 3.527191       5.443978 
1 1 1 11 3  27 o 76.080  1.4087 45.376   1.6801  47.405   2.1650  42.304   2.6639  77.759  1.7760 73.450  2.3135 4.308327       2.916622 
1 1 1 11 3  28 o 57.932  1.4474 26.311   1.3145  28.174   1.6467  23.037   2.1827  59.946  1.7522 54.199  2.5689 5.747257       3.109581 
1 1 1 11 3  29 o 335.173 2.4643 881.006  12.948  881.056  15.890  880.906  22.338  335.141 3.0244 334.989 4.2537 0.1513062      5.219290 
1 1 1 11 3  30 o 347.321 2.5384 946.077  13.821  953.800  17.092  931.485  23.493  348.686 3.1268 344.448 4.3507 4.238007       5.357791 
1 1 1 11 3  31 o 245.642 1.7548 473.096  6.7574  469.632  9.8613  476.162  9.2780  244.703 2.5706 246.408 2.4019 -1.704361      3.518115 
1 1 1 11 3  32 o 129.718 1.2178 131.913  2.4765  134.731  3.4976  129.079  3.5070  131.089 1.7020 128.308 1.7435 2.780212       2.436514 
1 1 1 11 3  33 o 77.106  1.1719 46.607   1.4165  45.387   1.8950  48.153   2.1325  76.086  1.5887 78.368  1.7358 -2.282196      2.353095 
1 1 1 11 3  34 o 118.202 1.1665 109.529  2.1615  108.933  2.9203  110.252  3.2145  117.873 1.5804 118.582 1.7292 -0.7086868     2.342586 
1 1 1 11 3  35 o 186.985 1.4934 274.117  4.3776  281.921  6.5757  267.905  5.8665  189.603 2.2123 184.837 2.0246 4.766022       2.998876 
1 1 1 11 3  36 o 99.804  1.2611 78.089   1.9731  77.379   2.8810  78.717   2.7078  99.339  1.8500 100.197 1.7239 -0.8577576     2.528672 
1 1 1 11 3  37 o 314.470 2.0428 775.494  10.071  767.874  14.062  783.516  14.429  312.853 2.8671 316.019 2.9126 -3.166046      4.086989 
1 1 1 11 3  38 o 166.462 1.3533 217.241  3.5316  213.215  4.8847  221.650  5.1119  164.896 1.8896 168.124 1.9395 -3.228378      2.707839 
1 1 1 11 3  39 o 164.604 1.3497 212.422  3.4829  205.049  4.7614  220.909  5.1082  161.706 1.8782 167.840 1.9414 -6.134781      2.701259 
1 1 1 11 3  40 o 84.800  1.2500 56.377   1.6617  53.922   2.2763  59.178   2.4313  82.925  1.7510 86.872  1.7853 -3.946312      2.500624 
1 1 1 11 3  41 o 49.861  1.5857 19.493   1.2394  20.162   1.6665  18.666   1.8541  50.702  2.0966 48.780  2.4246 1.921822       3.205401 
1 1 1 11 3  42 o 113.272 1.4638 100.601  2.5993  100.711  3.4256  100.452  3.9909  113.320 1.9283 113.164 2.2496 0.1567154      2.962942 
1 1 1 11 3  43 o 257.253 2.0461 519.074  8.2518  517.229  10.968  521.479  12.526  256.730 2.7253 257.738 3.1001 -1.008484      4.127672 
1 1 1 11 3  44 o 77.746  1.3996 47.394   1.7058  46.727   2.4154  48.059   2.4094  77.183  1.9963 78.276  1.9635 -1.093346      2.800048 
1 1 1 11 3  45 o 114.423 1.3523 102.660  2.4258  102.530  3.1406  102.853  3.8192  114.337 1.7522 114.501 2.1277 -0.1645279     2.756273 
1 1 1 11 3  46 o 94.802  1.3404 70.473   1.9921  68.873   2.5565  72.945   3.1786  93.708  1.7403 96.424  2.1028 -2.716393      2.729499 
1 1 1 11 3  47 o 49.108  1.6662 18.915   1.2828  19.318   1.8822  18.566   1.7529  49.610  2.4202 48.638  2.2989 0.9720421      3.337971 
1 1 1 11 3  48 o 121.779 1.3608 116.301  2.5979  114.174  3.7328  118.300  3.6178  120.626 1.9740 122.793 1.8794 -2.166496      2.725573 
1 1 1 11 3  49 o 72.057  1.3888 40.722   1.5688  39.754   2.5093  41.344   2.0100  71.160  2.2494 72.591  1.7663 -1.430809      2.860013 
1 1 1 11 3  50 o 110.403 1.2679 95.595   2.1944  95.716   3.1986  95.486   3.0162  110.438 1.8475 110.313 1.7441 0.1255798      2.540718 
1 1 1 11 3  51 o 83.780  1.3262 55.057   1.7418  56.265   2.4660  53.854   2.4605  84.666  1.8579 82.830  1.8949 1.835976       2.653750 
1 1 1 11 3  52 o 92.657  1.1559 67.334   1.6789  66.838   2.4663  67.763   2.2920  92.282  1.7048 92.928  1.5733 -0.6456909     2.319860 
1 1 1 11 3  53 o 11.158  4.0802 0.7924   0.9306  0.8441   1.2112  0.7178   1.4539  12.193  4.6165 12.639  4.9831 -0.4464264     6.792866 
1 1 1 11 3  54 o 23.313  2.7541 4.3365   0.9871  4.5084   1.2532  4.0555   1.6020  23.656  3.4836 22.197  4.7474 1.459484       5.888378 
1 1 1 11 3  55 o 99.646  1.1539 77.891   1.8025  74.448   2.2819  83.604   2.9395  97.392  1.4946 103.175 1.8174 -5.782928      2.353028 
1 1 1 11 3  56 o 47.300  1.3625 17.558   1.0103  18.246   1.2744  16.394   1.6574  48.202  1.6865 45.595  2.3265 2.607635       2.873500 
1 1 1 11 3  57 o 103.859 1.2191 84.638   1.9850  87.901   2.4529  78.447   3.3788  105.817 1.4786 99.878  2.1579 5.939049       2.615929 
1 1 1 11 3  58 o 52.254  1.2915 21.429   1.0580  21.690   1.2488  20.767   1.9912  52.558  1.5157 51.355  2.4733 1.203468       2.900772 
1 1 1 11 3  59 o 32.836  1.5974 8.4685   0.8223  8.4695   0.8657  8.4601   2.6312  32.790  1.6897 32.064  5.4282 0.7263870      5.685163 
1 1 1 11 3  60 o 110.023 1.5672 95.082   2.7030  94.645   3.3604  95.884   4.5496  109.706 1.9539 110.276 2.6317 -0.5699463     3.277751 
1 1 1 11 3  61 o 36.827  2.0465 10.704   1.1768  8.3725   1.5672  13.717   1.7820  32.394  3.1249 41.602  2.7478 -9.208805      4.161191 
1 1 1 11 3  62 o 28.696  2.5953 6.5485   1.1549  4.3842   1.6327  8.7158   1.6338  23.011  4.6852 33.034  3.1948 -10.02360      5.670763 
1 1 1 11 3  63 o 39.736  1.9396 12.424   1.2082  12.034   1.6654  12.858   1.7555  38.937  2.7459 40.244  2.8000 -1.307148      3.921769 
1 1 1 11 3  64 o 19.008  4.0814 2.9909   1.1799  2.0540   1.4772  4.6416   1.9608  16.102  5.1655 23.505  5.4305 -7.402643      7.494837 
1 1 1 11 3  65 o 113.084 1.4695 100.498  2.6052  100.066  3.5554  100.998  3.8283  112.713 2.0121 113.195 2.1573 -0.4822006     2.950051 
1 1 1 11 3  66 o 93.497  1.2748 68.667   1.8685  66.958   2.9178  69.855   2.4328  92.178  2.0192 94.235  1.6468 -2.057289      2.605567 
1 1 1 11 3  67 o 63.817  1.3323 32.004   1.3329  31.165   2.2085  32.485   1.6716  62.827  2.2423 64.249  1.6596 -1.421333      2.789670 
1 1 1 11 3  68 o 38.980  1.6503 11.961   1.0085  9.4080   2.1177  12.710   1.1469  33.983  4.0552 40.162  1.8215 -6.179401      4.445523 
1 1 1 11 3  69 o 11.141  4.3497 0.6420   1.0986  0.1783   1.4002  1.3845   1.7719  11.126  4.6924 14.767  5.5854 -3.641043      7.294840 
1 1 1 11 3  70 o 78.555  1.4730 48.572   1.8139  52.486   2.5889  44.798   2.5423  81.508  2.0261 75.263  2.1547 6.244209       2.957683 
1 1 1 11 3  71 o 23.208  2.8572 4.3560   1.0176  2.7901   1.2812  7.0313   1.6747  18.131  4.5226 29.306  3.7297 -11.17452      5.862115 
1 1 1 11 3  72 o 21.331  3.0682 3.7147   0.9965  4.1802   1.2681  2.9634   1.6111  22.457  3.7331 18.570  5.2826 3.887056       6.468586 
1 1 1 11 3  73 o 11.108  4.0386 0.8524   0.9099  0.5207   1.1224  1.4881   1.5539  10.818  4.3410 14.389  5.2707 -3.570844      6.828207 
1 1 1 11 3  74 o 17.025  3.4592 2.4260   0.8917  2.8292   1.0902  1.6107   1.5502  18.289  3.9202 14.651  5.2800 3.637391       6.576156 
1 1 1 11 3  75 o 25.558  3.3265 5.3683   1.3012  5.5897   2.0902  5.2282   1.6627  25.203  5.4491 24.791  4.4414 0.4125156      7.029831 
1 1 1 11 3  76 o 21.050  4.3331 3.7947   1.3823  0.9739   2.0987  5.9557   1.8369  14.343  5.8693 26.381  4.6095 -12.03832      7.462971 
1 1 1 11 3  77 o 16.151  4.9611 2.2405   1.3772  4.8836   2.1936  0.5208   1.7693  23.198  5.9903 12.692  5.3092 10.50576       8.004458 
1 1 1 11 3  78 o 33.393  2.8252 9.0396   1.4651  7.4097   2.2922  10.165   1.9050  29.079  5.2202 35.122  3.5068 -6.043047      6.288696 
1 1 1 11 3  79 f 20.025  4.6230 3.5060   1.4219  0.9360   2.1896  5.3800   1.8697  14.350  5.9463 24.741  4.9928 -10.39050      7.764442 
1 1 1 11 3  80 o 12.151  4.8131 0.8396   1.3623  -1.9812  2.8367  1.6853   1.5532  12.351  5.7938 14.622  5.2826 -2.270638      7.840545 
1 1 1 11 3  81 o 18.422  5.5941 3.0946   1.7576  6.0867   2.9774  1.4944   2.1774  24.705  7.2282 15.126  6.0544 9.579600       9.428815 
1 1 1 11 3  82 o 40.998  3.8478 14.206   2.4441  12.702   3.4829  15.664   3.4307  36.682  6.2826 41.710  5.3716 -5.027767      8.265933 
1 1 1 11 4  0  o 138.167 1.9667 149.735  4.2579  149.735  4.2579  149.735  4.2579  138.167 1.9667 138.167 1.9667 0.000000       0.000000 
1 1 1 11 4  1  o 199.515 1.4827 312.036  4.6374  318.518  6.6746  305.987  6.4479  201.570 2.1123 197.565 2.0819 4.004166       2.965779 
1 1 1 11 4  2  o 259.904 1.7642 529.530  7.1881  542.314  10.366  517.689  9.9762  263.009 2.5141 256.969 2.4764 6.039886       3.528970 
1 1 1 11 4  3  o 318.357 2.0612 794.527  10.287  808.019  14.773  781.827  14.333  321.026 2.9354 315.782 2.8953 5.244781       4.123009 
1 1 1 11 4  4  o 473.514 3.0379 1757.98  22.550  1736.53  30.151  1785.21  33.972  470.561 4.0872 477.082 4.5423 -6.520630      6.110503 
1 1 1 11 4  5  o 247.509 1.7798 480.231  6.9059  477.962  9.3070  483.012  10.301  246.914 2.4044 248.210 2.6474 -1.296021      3.576300 
1 1 1 11 4  6  o 634.076 3.9855 3153.02  39.617  3121.77  53.077  3192.34  59.530  630.795 5.3674 637.817 5.9537 -7.022034      8.016007 
1 1 1 11 4  7  o 316.894 2.1436 787.257  10.649  789.516  14.467  784.585  15.732  317.328 2.9082 316.328 3.1724 1.000610       4.303670 
1 1 1 11 4  8  f 112.582 1.2689 99.354   2.2395  97.714   3.0046  101.403  3.3591  111.646 1.7167 113.733 1.8840 -2.086700      2.548830 
1 1 1 11 4  9  o 255.775 1.8156 512.846  7.2799  520.965  9.9962  503.677  10.623  257.779 2.4736 253.461 2.6735 4.317520       3.642307 
1 1 1 11 4  10 o 170.719 1.4235 228.465  3.8099  224.098  5.0847  234.057  5.7529  169.075 1.9184 172.788 2.1238 -3.713425      2.861947 
1 1 1 11 4  11 o 256.536 1.8196 515.907  7.3178  518.646  9.9514  512.681  10.798  257.203 2.4680 255.714 2.6937 1.488876       3.653382 
1 1 1 11 4  12 o 259.114 1.8389 526.332  7.4695  522.120  10.017  531.607  11.210  258.062 2.4761 260.389 2.7463 -2.327026      3.697700 
1 1 1 11 4  13 o 379.505 2.4917 1129.18  14.824  1118.15  19.880  1142.99  22.248  377.610 3.3583 381.763 3.7174 -4.152740      5.009691 
1 1 1 11 4  14 o 309.599 2.0197 751.442  9.8027  752.309  13.866  750.576  13.860  309.753 2.8555 309.395 2.8576 0.3571472      4.039776 
1 1 1 11 4  15 o 351.648 2.3373 969.483  12.885  973.261  19.116  966.338  17.443  352.284 3.4614 351.043 3.1696 1.240875       4.693376 
1 1 1 11 4  16 o 283.879 2.1662 631.803  9.6403  633.536  12.933  629.637  14.462  284.244 2.9024 283.354 3.2556 0.8899231      4.361511 
1 1 1 11 4  17 o 373.816 2.8828 1095.75  16.894  1106.31  21.538  1078.86  27.236  375.569 3.6581 370.804 4.6855 4.764984       5.944352 
1 1 1 11 4  18 o 362.597 2.6469 1030.92  15.046  1035.30  20.248  1025.53  22.483  363.314 3.5550 361.568 3.9665 1.746460       5.326467 
1 1 1 11 4  19 o 436.154 3.1148 1491.87  21.297  1475.43  25.813  1526.91  37.689  433.690 3.7967 441.009 5.4515 -7.318604      6.643325 
1 1 1 11 4  20 o 291.036 2.6982 664.198  12.311  640.956  16.866  690.701  18.010  285.842 3.7638 296.720 3.8719 -10.87772      5.399773 
1 1 1 11 4  21 o 74.218  1.3827 43.181   1.6087  44.569   2.0047  40.669   2.6960  75.399  1.6960 72.018  2.3879 3.381187       2.928945 
1 1 1 11 4  22 o 258.874 2.0218 525.431  8.2052  527.898  11.031  522.375  12.276  259.453 2.7121 258.077 3.0343 1.376099       4.069731 
1 1 1 11 4  23 o 260.468 1.9246 531.916  7.8588  525.601  10.972  538.569  11.262  258.885 2.7035 262.057 2.7413 -3.172333      3.850149 
1 1 1 11 4  24 o 172.436 1.5666 233.108  4.2349  226.552  5.5251  242.444  6.5939  169.983 2.0734 175.835 2.3921 -5.851898      3.165617 
1 1 1 11 4  25 o 93.190  1.2228 68.078   1.7865  67.884   2.5912  68.254   2.4663  93.051  1.7764 93.305  1.6861 -0.2547455     2.449165 
1 1 1 11 4  26 o 257.078 1.8228 518.164  7.3460  533.096  11.101  506.530  9.7983  260.714 2.7160 254.148 2.4593 6.565689       3.664001 
1 1 1 11 4  27 o 11.070  4.0045 0.7911   0.8929  -2.0445  1.2395  3.8502   1.2874  7.3085  3.5360 21.820  3.9072 -14.51164      5.269625 
1 1 1 11 4  28 o 189.070 1.4980 280.255  4.4401  284.208  5.6159  273.665  7.2514  190.388 1.8816 186.802 2.4762 3.585861       3.109998 
1 1 1 11 4  29 o 285.935 1.8991 641.059  8.5128  638.645  11.073  644.546  13.311  285.363 2.4753 286.645 2.9622 -1.281158      3.860250 
1 1 1 11 4  30 o 36.863  2.0530 10.689   1.1817  11.710   1.4547  8.7076   2.0264  38.565  2.4184 33.067  3.9896 5.497372       4.665341 
1 1 1 11 4  31 o 213.340 1.6145 356.842  5.3996  357.402  7.2647  356.150  8.0711  213.486 2.1707 213.101 2.4160 0.3857117      3.247896 
1 1 1 11 4  32 o 232.007 1.6359 422.025  5.9500  420.551  7.7328  424.166  9.3157  231.580 2.1300 232.551 2.5553 -0.9707794     3.326632 
1 1 1 11 4  33 o 135.364 1.2667 143.648  2.6880  141.405  3.4587  147.070  4.2716  134.295 1.6429 136.951 1.9896 -2.655350      2.580243 
1 1 1 11 4  34 o 318.539 2.0684 795.689  10.329  794.233  13.466  797.769  16.099  318.198 2.6995 318.855 3.2207 -0.6565552     4.202374 
1 1 1 11 4  35 o 114.024 1.2397 101.926  2.2161  105.103  2.9162  97.585   3.4092  115.781 1.6067 111.555 1.9494 4.225349       2.526191 
1 1 1 11 4  36 o 209.744 1.5400 344.919  5.0635  341.080  6.5482  350.628  7.9857  208.554 2.0029 211.431 2.4093 -2.877472      3.133071 
1 1 1 11 4  37 o 226.893 1.5548 403.637  5.5305  404.054  7.5154  403.145  8.1677  226.983 2.1121 226.717 2.2981 0.2663269      3.121207 
1 1 1 11 4  38 o 49.348  1.5405 19.094   1.1918  18.930   1.6179  19.288   1.7621  49.129  2.1007 49.590  2.2666 -0.4606361     3.090394 
1 1 1 11 4  39 o 168.244 1.3270 221.925  3.4999  223.341  4.7639  220.264  5.1591  168.764 1.8006 167.590 1.9637 1.173355       2.664265 
1 1 1 11 4  40 o 162.866 1.3674 207.969  3.4913  201.303  4.8162  215.351  5.0683  160.214 1.9176 165.708 1.9510 -5.494293      2.735621 
1 1 1 11 4  41 o 88.835  1.2666 61.872   1.7639  60.075   2.4630  63.764   2.5271  87.524  1.7951 90.172  1.7877 -2.647736      2.533451 
1 1 1 11 4  42 o 187.530 1.4590 275.751  4.2893  278.094  6.0961  273.453  6.0363  188.292 2.0652 186.715 2.0622 1.577637       2.918562 
1 1 1 11 4  43 o 110.684 1.2508 96.054   2.1702  95.544   3.0578  96.571   3.0807  110.374 1.7672 110.966 1.7709 -0.5914230     2.501859 
1 1 1 11 4  44 o 239.299 1.7515 449.126  6.5707  448.749  8.9148  449.574  9.7224  239.137 2.3780 239.332 2.5913 -0.1945190     3.517047 
1 1 1 11 4  45 o 93.035  1.3851 67.873   2.0201  67.321   2.5605  68.784   3.2875  92.643  1.7630 93.625  2.2398 -0.9821091     2.850444 
1 1 1 11 4  46 o 8.8131  3.8626 -0.2560  1.0209  -2.3446  1.3421  2.6112   1.5725  7.4700  3.6294 18.021  5.2475 -10.55137      6.380282 
1 1 1 11 4  47 o 125.706 1.2399 123.915  2.4433  125.248  3.5247  122.683  3.3900  126.351 1.7795 125.053 1.7292 1.297791       2.481262 
1 1 1 11 4  48 o 8.5070  3.6895 -0.1443  0.9107  0.2534   1.3420  -0.4838  1.2399  11.244  4.6568 9.3910  4.1799 1.852758       6.257533 
1 1 1 11 4  49 o 176.668 1.3977 244.821  3.8709  245.283  5.5737  244.391  5.3801  176.767 2.0113 176.454 1.9449 0.3132629      2.797907 
1 1 1 11 4  50 o 135.497 1.4158 144.025  3.0073  138.436  4.1692  150.089  4.3422  132.787 2.0028 138.263 2.0033 -5.475830      2.832761 
1 1 1 11 4  51 o 52.891  1.5190 21.951   1.2595  24.402   1.9356  20.150   1.6587  55.733  2.2153 50.651  2.0889 5.081608       3.044839 
1 1 1 11 4  52 o 92.190  1.2369 66.670   1.7876  68.046   2.5000  65.230   2.5569  93.103  1.7129 91.150  1.7894 1.953209       2.477056 
1 1 1 11 4  53 o 41.150  1.5835 13.291   1.0215  11.562   1.4235  15.127   1.4668  38.273  2.3843 43.875  2.1326 -5.602345      3.198884 
1 1 1 11 4  54 o 87.944  1.1635 60.673   1.6041  58.279   2.2915  62.973   2.2462  86.151  1.6967 89.563  1.5998 -3.411156      2.331949 
1 1 1 11 4  55 o 70.020  1.3673 38.478   1.5009  38.382   2.0909  38.579   2.1557  69.893  1.9083 70.067  1.9625 -0.1745453     2.737355 
1 1 1 11 4  56 o 22.970  2.9120 4.2259   1.0250  4.6506   1.5325  3.8820   1.3789  23.860  4.2532 21.763  4.1937 2.097383       5.972994 
1 1 1 11 4  57 o 121.015 1.1994 114.914  2.2754  114.484  2.9306  115.568  3.6104  120.743 1.5482 121.258 1.8993 -0.5141983     2.450367 
1 1 1 11 4  58 o 42.875  1.4013 14.432   0.9418  15.650   1.1935  12.421   1.5334  44.631  1.7058 39.631  2.4806 4.999290       3.010513 
1 1 1 11 4  59 o 68.626  1.1325 36.956   1.2184  35.822   1.5009  39.147   2.0863  67.544  1.4175 70.562  1.8861 -3.018074      2.359343 
1 1 1 11 4  60 o 88.864  1.3367 61.999   1.8621  60.781   2.7440  63.039   2.5351  87.900  1.9913 89.546  1.8059 -1.645905      2.688271 
1 1 1 11 4  61 o 46.186  1.8463 16.775   1.3368  17.475   1.8071  15.930   1.9866  47.016  2.4603 44.817  2.8423 2.198952       3.759246 
1 1 1 11 4  62 f 39.498  2.2096 12.328   1.3627  12.511   1.9153  12.142   1.9393  39.634  3.1074 39.024  3.1981 0.6107559      4.459151 
1 1 1 11 4  63 o 69.630  1.5686 38.108   1.7122  36.071   2.2809  40.738   2.5916  67.662  2.1503 71.879  2.2999 -4.217018      3.148550 
1 1 1 11 4  64 o 19.309  4.5669 3.1122   1.3607  3.9518   1.4934  -0.9922  3.3020  21.804  4.5175 15.238  6.7987 6.566350       8.162786 
1 1 1 11 4  65 o 15.453  4.3927 1.9696   1.1145  0.9259   1.5114  3.2134   1.6499  13.158  5.1117 19.556  5.2648 -6.398051      7.338084 
1 1 1 11 4  66 f 69.158  1.5907 37.627   1.7246  37.877   2.3434  37.331   2.5472  69.282  2.1577 68.735  2.3639 0.5469437      3.200530 
1 1 1 11 4  67 o 56.774  1.7227 25.384   1.5333  27.054   2.1050  23.496   2.2378  58.506  2.2951 54.454  2.6214 4.051216       3.484148 
1 1 1 11 4  68 o 11.860  4.5824 0.7797   1.2095  0.7108   1.8536  0.8307   1.5960  13.577  5.5313 13.107  5.2039 0.4695845      7.594512 
1 1 1 11 4  69 o 19.266  4.2323 3.1188   1.2433  4.1513   2.0265  2.4956   1.5745  21.919  5.8054 17.300  5.3031 4.618858       7.862936 
1 1 1 11 4  70 o 40.200  1.7557 12.750   1.1064  13.514   1.7508  12.241   1.4276  41.112  2.7321 39.226  2.3321 1.885811       3.592126 
1 1 1 11 4  71 o 16.503  3.2147 2.2567   0.8018  1.2376   1.4817  2.6787   0.9534  13.657  5.1199 17.940  3.5158 -4.282419      6.210809 
1 1 1 11 4  72 o 33.296  2.2942 8.8479   1.1902  7.2546   1.5772  10.955   1.8139  29.792  3.4403 36.783  3.1769 -6.991499      4.682765 
1 1 1 11 4  73 o 55.133  1.4994 23.976   1.2959  24.692   1.6313  22.749   2.1336  55.856  1.8630 53.390  2.5492 2.466194       3.157360 
1 1 1 11 4  74 o 32.050  1.9809 8.1759   0.9904  9.6519   1.1977  4.9840   1.7613  34.770  2.2087 24.023  4.8441 10.74715       5.323838 
1 1 1 11 4  75 o 20.623  4.2879 3.6410   1.3411  7.1508   2.2465  1.6976   1.6716  28.662  5.1908 14.993  5.4706 13.66892       7.541306 
1 1 1 11 4  76 o 20.500  4.3419 3.6134   1.3519  4.8436   2.2183  2.8864   1.7052  23.068  6.0568 18.116  5.5122 4.951965       8.189537 
1 1 1 11 4  77 o 43.951  2.3552 15.474   1.6169  17.387   2.7011  14.405   2.0184  45.837  3.7930 42.082  3.0810 3.755657       4.886648 
1 1 1 11 4  78 o 26.647  3.5484 5.9076   1.4454  7.0977   2.4303  5.2563   1.7980  28.087  5.7141 24.522  4.8491 3.564873       7.494298 
1 1 1 11 4  79 o 11.266  4.7688 0.2986   1.4546  4.5858   3.0090  -1.0089  1.6617  21.832  7.3891 9.9296  4.5814 11.90277       8.694160 
1 1 1 11 4  80 o 10.526  4.6283 -0.1270  1.4761  -1.8693  2.9939  0.4325   1.6966  12.748  5.9713 12.169  5.1505 0.5794392      7.885693 
1 1 1 11 4  81 o 31.732  3.3188 8.3767   1.6265  7.4740   3.3212  8.6615   1.8655  26.884  7.5626 31.997  3.7929 -5.113400      8.460489 
1 1 1 11 5  0  o 271.457 2.4008 577.791  10.215  577.791  10.215  577.791  10.215  271.457 2.4008 271.457 2.4008 0.000000       0.000000 
1 1 1 11 5  1  o 110.541 1.1485 95.783   1.9902  96.031   2.8302  95.541   2.7993  110.681 1.6311 110.398 1.6175 0.2824936      2.297132 
1 1 1 11 5  2  o 137.465 1.1875 148.125  2.5591  149.275  3.6264  146.985  3.6120  137.994 1.6763 136.931 1.6826 1.062561       2.375154 
1 1 1 11 5  3  o 132.442 1.2803 137.500  2.6582  139.378  4.1662  136.210  3.4522  133.338 1.9931 131.817 1.6706 1.521042       2.600665 
1 1 1 11 5  4  o 129.812 1.1692 132.092  2.3794  133.932  3.3840  130.293  3.3464  130.710 1.6514 128.922 1.6558 1.787842       2.338548 
1 1 1 11 5  5  o 38.758  1.7022 11.776   1.0343  12.831   1.4557  10.701   1.4697  40.389  2.3087 36.855  2.5596 3.533672       3.446968 
1 1 1 11 5  6  o 400.285 2.3226 1256.18  14.574  1256.46  20.614  1255.91  20.608  400.286 3.2850 400.199 3.2848 0.8706665E-01  4.645597 
1 1 1 11 5  7  o 411.155 2.5697 1325.41  16.563  1304.17  23.030  1348.16  23.838  407.796 3.6025 414.613 3.6675 -6.816681      5.140843 
1 1 1 11 5  8  o 375.449 2.6008 1105.21  15.308  1087.36  21.313  1124.24  22.000  372.354 3.6512 378.613 3.7065 -6.259064      5.202883 
1 1 1 11 5  9  o 366.405 2.6826 1052.64  15.409  1050.34  20.612  1055.55  23.199  365.962 3.5928 366.842 4.0340 -0.8805542     5.402013 
1 1 1 11 5  10 o 336.058 2.4988 885.459  13.164  896.922  17.881  871.893  19.452  338.189 3.3728 333.419 3.7216 4.769745       5.022535 
1 1 1 11 5  11 f 401.293 2.9060 1262.73  18.281  1264.04  24.517  1261.09  27.437  401.441 3.8957 400.937 4.3652 0.5033569      5.850747 
1 1 1 11 5  12 o 331.820 3.0150 863.404  15.683  867.958  19.343  854.664  26.795  332.658 3.7091 330.001 5.1795 2.657684       6.370612 
1 1 1 11 5  13 o 135.156 1.6430 143.203  3.4811  144.026  4.6477  142.152  5.2538  135.537 2.1874 134.647 2.4890 0.8894501      3.313569 
1 1 1 11 5  14 f 172.463 1.5987 233.170  4.3223  234.097  5.8040  232.017  6.4764  172.796 2.1426 172.022 2.4016 0.7745056      3.218431 
1 1 1 11 5  15 f 66.451  1.6103 34.617   1.6775  35.900   2.3648  33.317   2.3801  67.667  2.2292 65.187  2.3290 2.480591       3.223960 
1 1 1 11 5  16 o 150.402 1.5073 177.332  3.5539  176.493  4.7465  178.402  5.3615  150.038 2.0180 150.843 2.2673 -0.8043823     3.035259 
1 1 1 11 5  17 o 131.092 1.3892 134.717  2.8549  140.626  4.0636  128.958  4.0118  133.928 1.9355 128.251 1.9954 5.677322       2.779834 
1 1 1 11 5  18 o 375.787 2.6037 1107.37  15.338  1121.74  21.917  1093.57  21.474  378.135 3.6973 373.361 3.6688 4.774841       5.208622 
1 1 1 11 5  19 o 149.824 1.3693 175.970  3.2160  171.848  4.2820  181.304  4.8710  148.051 1.8449 152.066 2.0433 -4.014893      2.752996 
1 1 1 11 5  20 o 210.702 1.5418 348.043  5.0929  348.154  6.6389  347.884  7.9391  210.723 2.0097 210.628 2.4044 0.9466553E-01  3.133661 
1 1 1 11 5  21 o 113.192 1.2267 100.439  2.1768  97.957   2.7965  104.256  3.4675  111.781 1.5959 115.314 1.9181 -3.533333      2.495188 
1 1 1 11 5  22 o 107.739 1.2141 90.996   2.0506  91.646   2.6682  90.058   3.2048  108.119 1.5742 107.174 1.9075 0.9453049      2.473181 
1 1 1 11 5  23 o 131.748 1.2058 136.070  2.4904  131.941  3.0958  143.643  4.1925  129.729 1.5222 135.352 1.9759 -5.622528      2.494220 
1 1 1 11 5  24 o 244.997 1.7021 470.595  6.5374  478.263  8.6625  460.450  9.9641  246.963 2.2375 242.301 2.6232 4.661758       3.447799 
1 1 1 11 5  25 o 190.332 1.3996 284.002  4.1761  275.371  5.5371  295.388  6.3596  187.405 1.8847 194.090 2.0901 -6.684799      2.814408 
1 1 1 11 5  26 o 208.949 1.4766 342.285  4.8368  344.128  6.5995  340.146  7.1095  209.493 2.0095 208.271 2.1775 1.222122       2.963025 
1 1 1 11 5  27 o 188.288 1.5163 277.948  4.4758  286.067  6.7131  271.450  6.0054  190.995 2.2421 186.058 2.0589 4.936737       3.044026 
1 1 1 11 5  28 o 46.382  1.5333 16.866   1.1149  18.171   1.4949  15.230   1.6737  48.139  1.9808 44.001  2.4359 4.138718       3.139585 
1 1 1 11 5  29 o 326.534 2.0342 836.089  10.413  821.320  13.906  854.944  15.712  323.584 2.7413 330.114 3.0360 -6.530243      4.090464 
1 1 1 11 5  30 o 139.980 1.2913 153.612  2.8336  155.136  3.6902  151.422  4.4234  140.665 1.6734 138.962 2.0305 1.703033       2.631258 
1 1 1 11 5  31 f 180.581 1.4210 255.657  4.0229  250.820  5.1849  262.974  6.3766  178.852 1.8492 183.120 2.2213 -4.267929      2.890279 
1 1 1 11 5  32 o 270.712 1.7624 574.621  7.4796  577.503  10.202  571.271  10.998  271.353 2.3983 269.870 2.5996 1.482513       3.536931 
1 1 1 11 5  33 o 213.053 1.5055 355.883  5.0282  363.021  6.9270  347.933  7.3105  215.156 2.0537 210.630 2.2140 4.526443       3.019816 
1 1 1 11 5  34 o 246.546 1.6507 476.601  6.3800  483.159  8.7671  469.218  9.3020  248.204 2.2532 244.585 2.4260 3.618347       3.310947 
1 1 1 11 5  35 o 183.497 1.3905 263.987  4.0001  270.065  5.5157  257.244  5.8097  185.579 1.8959 181.114 2.0462 4.464996       2.789507 
1 1 1 11 5  36 o 193.626 1.4281 293.944  4.3349  294.733  5.8946  293.014  6.3971  193.865 1.9396 193.291 2.1112 0.5742188      2.866860 
1 1 1 11 5  37 o 173.809 1.3597 236.849  3.7048  235.551  5.0055  238.422  5.5095  173.314 1.8423 174.359 2.0156 -1.045242      2.730735 
1 1 1 11 5  38 o 179.032 1.3748 251.304  3.8585  248.760  5.1894  254.450  5.7701  178.104 1.8586 180.120 2.0435 -2.016632      2.762286 
1 1 1 11 5  39 o 218.124 1.6645 373.088  5.6915  381.539  7.8652  363.797  8.2464  220.541 2.2749 215.340 2.4428 5.201462       3.338048 
1 1 1 11 5  40 o 152.120 1.3993 181.441  3.3370  177.522  4.4807  186.322  5.0002  150.449 1.8998 154.124 2.0695 -3.675415      2.809283 
1 1 1 11 5  41 o 111.334 1.3133 97.188   2.2922  97.343   3.1287  97.008   3.3680  111.409 1.7914 111.212 1.9318 0.1968460      2.634552 
1 1 1 11 5  42 o 94.586  1.3152 70.148   1.9502  65.526   2.5842  76.265   2.9725  91.403  1.8034 98.605  1.9230 -7.201416      2.636338 
1 1 1 11 5  43 o 133.535 1.3463 139.823  2.8182  137.138  3.7991  143.108  4.2025  132.225 1.8328 135.064 1.9848 -2.839264      2.701570 
1 1 1 11 5  44 o 79.111  1.3342 49.077   1.6546  49.186   2.2685  48.953   2.4188  79.185  1.8275 78.992  1.9532 0.1926117      2.674835 
1 1 1 11 5  45 o 100.210 1.2898 78.747   2.0263  79.812   2.7807  77.542   2.9588  100.866 1.7585 99.414  1.8985 1.451736       2.587808 
1 1 1 11 5  46 o 82.100  1.2512 52.859   1.6103  49.184   2.2575  56.666   2.2977  79.174  1.8188 84.988  1.7245 -5.813530      2.506444 
1 1 1 11 5  47 o 175.451 1.4055 241.450  3.8659  240.090  5.4800  242.797  5.4546  174.896 1.9987 175.882 1.9783 -0.9856720     2.812172 
1 1 1 11 5  48 o 46.502  1.6868 16.969   1.2297  17.674   1.6479  16.082   1.8472  47.441  2.2158 45.160  2.6205 2.280586       3.431744 
1 1 1 11 5  49 o 8.0669  3.6191 -0.4476  0.9495  -0.9495  1.2525  0.2306   1.4560  8.6935  3.9988 11.603  4.8317 -2.909536      6.271813 
1 1 1 11 5  50 f 48.315  1.5513 18.318   1.1750  22.489   1.9039  15.752   1.4933  53.498  2.2701 44.781  2.1272 8.717693       3.110970 
1 1 1 11 5  51 o 85.277  1.2148 57.046   1.6240  56.374   2.3371  57.673   2.2583  84.737  1.7593 85.714  1.6806 -0.9766693     2.433068 
1 1 1 11 5  52 o 74.929  1.2970 44.050   1.5235  43.944   2.3866  44.124   1.9792  74.785  2.0357 74.966  1.6841 -0.1811066     2.642019 
1 1 1 11 5  53 o 109.912 1.4217 94.812   2.4496  97.718   3.4315  91.793   3.4980  111.519 1.9628 108.072 2.0647 3.447594       2.848797 
1 1 1 11 5  54 o 48.901  1.4198 18.770   1.0885  18.271   1.5965  19.203   1.4879  48.207  2.1125 49.435  1.9199 -1.227940      2.854590 
1 1 1 11 5  55 o 47.811  1.4983 17.947   1.1230  18.504   1.5807  17.379   1.5958  48.511  2.0785 47.007  2.1656 1.504185       3.001674 
1 1 1 11 5  56 o 91.585  1.2333 65.824   1.7707  66.963   2.4827  64.646   2.5261  92.322  1.7154 90.703  1.7766 1.619118       2.469560 
1 1 1 11 5  57 o 57.542  1.4142 25.997   1.2757  26.531   1.7101  25.326   1.9157  58.094  1.8778 56.733  2.1539 1.361465       2.857521 
1 1 1 11 5  58 o 35.697  1.8276 10.044   1.0193  11.080   1.3552  8.6933   1.5468  37.438  2.3206 33.035  3.0201 4.402775       3.808673 
1 1 1 11 5  59 o 68.385  1.1696 36.703   1.2538  35.950   1.5382  38.195   2.1645  67.656  1.4502 69.678  1.9816 -2.022011      2.455588 
1 1 1 11 5  60 o 63.877  1.1436 32.024   1.1452  32.509   1.3894  30.996   2.0225  64.340  1.3775 62.753  2.0559 1.587025       2.474707 
1 1 1 11 5  61 o 70.524  1.4307 39.070   1.5817  36.764   2.2872  41.183   2.1898  68.321  2.1355 72.342  1.9309 -4.021660      2.878979 
1 1 1 11 5  62 o 63.950  1.4720 32.135   1.4757  30.067   2.1710  33.912   2.0121  61.758  2.2424 65.632  1.9555 -3.874874      2.975319 
1 1 1 11 5  63 o 40.172  2.1096 12.753   1.3239  12.563   1.7768  12.991   1.9849  39.733  2.8719 40.342  3.1639 -0.6091461     4.272932 
1 1 1 11 5  64 o 74.151  1.6247 43.251   1.8887  46.017   2.5488  39.883   2.8126  76.389  2.1284 71.028  2.5259 5.360725       3.303076 
1 1 1 11 5  65 o 70.275  1.7054 38.875   1.8787  39.778   2.6135  37.909   2.7027  70.951  2.3496 69.230  2.4903 1.721245       3.423772 
1 1 1 11 5  66 o 54.976  1.7878 23.812   1.5408  23.883   2.0726  23.725   2.3036  54.944  2.4062 54.700  2.6864 0.2435303      3.606486 
1 1 1 11 5  67 o 52.098  1.8373 21.401   1.5005  22.067   2.0341  20.606   2.2225  52.779  2.4585 50.849  2.7989 1.929653       3.725291 
1 1 1 11 5  68 o 45.159  2.1912 16.133   1.5512  16.206   1.8750  15.976   2.7615  45.085  2.6648 44.293  4.0208 0.7921028      4.823683 
1 1 1 11 5  69 o 15.142  5.1794 1.7881   1.4785  3.6714   1.9457  -0.7859  2.2746  20.594  5.7867 12.440  5.5898 8.154678       8.045657 
1 1 1 11 5  70 o 13.208  4.5050 1.3457   1.1185  1.9285   1.5401  0.6949   1.6273  15.572  5.2862 12.801  5.1949 2.770946       7.411560 
1 1 1 11 5  71 o 12.941  4.5919 1.2388   1.1682  1.5002   1.6548  0.9791   1.6494  14.610  5.4237 13.414  5.3015 1.195868       7.584367 
1 1 1 11 5  72 o 18.758  4.0213 2.9829   1.1470  3.0684   1.6292  2.8989   1.6151  18.762  5.3036 18.270  5.3175 0.4913960      7.510278 
1 1 1 11 5  73 o 57.303  1.5485 25.925   1.3911  24.782   2.1838  26.705   1.8046  55.704  2.5007 58.025  1.9838 -2.321064      3.192060 
1 1 1 11 5  74 o 24.923  2.3672 4.9982   0.9138  5.9613   1.1854  3.5879   1.4345  27.096  2.8326 20.355  4.6034 6.741322       5.405081 
1 1 1 11 5  75 o 13.103  5.0295 1.1106   1.4501  -0.3627  2.1093  2.4310   1.9969  12.263  5.4554 17.103  6.0102 -4.839689      8.116870 
1 1 1 11 5  76 o 41.870  2.5058 14.090   1.6372  14.363   2.6843  13.927   2.0659  41.381  4.1959 41.302  3.2162 0.7982254E-01  5.286672 
1 1 1 11 5  77 o 7.2166  3.5327 -2.4253  1.3414  -3.5800  2.2114  -1.7532  1.6872  9.3979  4.5866 9.1955  4.3604 0.2023754      6.328504 
1 1 1 11 5  78 o 13.137  5.0588 1.1455   1.4702  -1.6982  2.6200  2.4523   1.7762  12.061  5.6285 16.822  5.6771 -4.761154      7.994376 
1 1 1 11 5  79 o 14.234  5.4335 1.4621   1.6866  6.1483   4.8535  0.8185   1.7987  23.944  9.1989 13.135  5.4110 10.80929       10.67233 
1 1 1 11 5  80 o 19.578  5.4162 3.5353   1.7184  2.3831   3.2294  3.9904   2.0296  17.804  7.2825 20.549  5.9552 -2.745625      9.407434 
1 1 1 11 6  0  o 233.337 4.0746 427.312  14.894  427.312  14.894  427.312  14.894  233.337 4.0746 233.337 4.0746 0.000000       0.000000 
1 1 1 11 6  1  o 75.988  1.8655 45.268   2.2222  48.311   3.1247  42.153   3.1610  78.496  2.5393 73.321  2.7500 5.174789       3.743097 
1 1 1 11 6  2  o 184.934 2.0590 268.128  5.9692  266.196  8.3739  270.124  8.5112  184.248 2.8992 185.602 2.9252 -1.353821      4.118492 
1 1 1 11 6  3  o 121.741 1.8021 116.188  3.4394  125.497  5.0291  108.008  4.7141  126.514 2.5357 117.368 2.5621 9.146164       3.604744 
1 1 1 11 6  4  f 217.402 2.2335 370.557  7.6122  375.497  9.4228  361.276  12.916  218.833 2.7467 214.611 3.8389 4.221222       4.720316 
1 1 1 11 6  5  o 284.618 2.3306 635.134  10.399  632.237  13.062  640.146  17.182  283.946 2.9345 285.674 3.8366 -1.727631      4.830236 
1 1 1 11 6  6  o 159.274 1.4819 198.866  3.7002  199.357  4.7805  198.131  5.8440  159.465 1.9123 158.966 2.3450 0.4986877      3.025915 
1 1 1 11 6  7  o 154.623 1.4628 187.421  3.5457  183.294  4.4923  194.239  5.7744  152.905 1.8741 157.396 2.3402 -4.491074      2.998167 
1 1 1 11 6  8  o 400.751 2.7594 1259.35  17.336  1255.77  22.295  1264.84  27.569  400.128 3.5543 401.500 4.3800 -1.372803      5.640707 
1 1 1 11 6  9  o 497.874 3.1918 1944.03  24.912  1936.72  33.578  1952.99  37.155  496.824 4.3112 498.852 4.7511 -2.028229      6.415542 
1 1 1 11 6  10 o 111.088 1.2136 96.737   2.1135  97.526   2.8869  95.825   3.1026  111.536 1.6511 110.558 1.7901 0.9785614      2.435269 
1 1 1 11 6  11 o 399.148 2.5101 1249.25  15.706  1230.65  20.258  1277.28  24.867  396.116 3.2623 403.493 3.9313 -7.377686      5.108629 
1 1 1 11 6  12 o 379.493 2.3066 1129.20  13.722  1125.37  20.093  1132.55  18.786  378.779 3.3838 380.004 3.1535 -1.224274      4.625414 
1 1 1 11 6  13 o 219.203 1.5342 376.688  5.2721  382.739  7.8700  371.763  7.1009  220.937 2.2722 217.752 2.0802 3.185455       3.080604 
1 1 1 11 6  14 o 35.783  1.8470 10.065   1.0325  11.305   1.3991  8.5820   1.5301  37.897  2.3668 32.944  2.9955 4.953259       3.817687 
1 1 1 11 6  15 o 116.268 1.1992 105.970  2.1858  104.428  2.9453  107.861  3.2612  115.414 1.6279 117.294 1.7736 -1.879669      2.407387 
1 1 1 11 6  16 o 279.340 1.8094 611.774  7.9236  609.499  10.718  614.516  11.766  278.793 2.4524 279.927 2.6813 -1.133362      3.633649 
1 1 1 11 6  17 o 285.019 1.9075 636.925  8.5229  638.735  12.051  635.114  12.055  285.386 2.6937 284.575 2.7022 0.8106079      3.815502 
1 1 1 11 6  18 o 251.874 1.7440 497.377  6.8862  489.223  9.5572  506.181  9.9306  249.774 2.4408 254.064 2.4933 -4.289703      3.489138 
1 1 1 11 6  19 f 202.693 1.5197 322.093  4.8290  322.348  6.7956  321.833  6.8632  202.756 2.1380 202.593 2.1610 0.1629028      3.039865 
1 1 1 11 6  20 o 325.927 2.1186 832.959  10.825  825.833  15.150  840.389  15.471  324.473 2.9785 327.316 3.0151 -2.844025      4.238194 
1 1 1 11 6  21 f 293.204 1.9520 674.068  8.9721  681.686  12.780  666.664  12.599  294.808 2.7653 291.543 2.7566 3.265747       3.904560 
1 1 1 11 6  22 o 184.885 1.4497 267.983  4.2018  267.073  5.8866  268.927  5.9996  184.554 2.0346 185.193 2.0665 -0.6385193     2.900039 
1 1 1 11 6  23 o 173.101 1.4040 234.908  3.8098  229.536  5.2606  240.835  5.5250  171.095 1.9613 175.254 2.0110 -4.159149      2.809052 
1 1 1 11 6  24 o 95.796  1.2447 71.941   1.8693  72.175   2.6409  71.706   2.6462  95.944  1.7558 95.632  1.7651 0.3125229      2.489669 
1 1 1 11 6  25 o 205.378 1.6061 330.703  5.1711  333.258  7.0191  327.670  7.6474  206.149 2.1719 204.404 2.3865 1.745193       3.226909 
1 1 1 11 6  26 o 137.765 1.2982 148.790  2.8037  147.361  3.9065  150.308  4.0263  137.091 1.8177 138.454 1.8550 -1.363022      2.597150 
1 1 1 11 6  27 o 121.695 1.3215 116.103  2.5211  117.315  3.6949  115.047  3.4484  122.317 1.9269 121.131 1.8160 1.186020       2.647817 
1 1 1 11 6  28 o 218.264 1.6699 373.516  5.7138  377.020  8.4896  370.615  7.7254  219.248 2.4700 217.388 2.2669 1.859879       3.352564 
1 1 1 11 6  29 o 271.301 1.9250 577.158  8.1873  574.637  11.040  580.238  12.204  270.664 2.6020 271.960 2.8624 -1.295685      3.868309 
1 1 1 11 6  30 o 293.243 2.0461 674.334  9.4063  677.483  12.753  670.577  13.930  293.871 2.7682 292.345 3.0394 1.526520       4.111115 
1 1 1 11 6  31 o 21.680  3.3835 3.7769   1.1124  1.3323   1.4762  6.9886   1.6921  14.285  5.1517 29.604  3.7287 -15.31838      6.359538 
1 1 1 11 6  32 o 216.472 1.7303 367.433  5.8717  359.416  8.1188  376.225  8.5022  214.062 2.4194 219.006 2.4764 -4.944687      3.462067 
1 1 1 11 6  33 o 249.589 1.8173 488.482  7.1104  477.108  9.4155  503.577  10.847  246.627 2.4353 253.352 2.7310 -6.725342      3.659134 
1 1 1 11 6  34 o 238.437 1.7644 445.802  6.5952  458.705  9.1480  431.838  9.5170  241.821 2.4131 234.619 2.5875 7.201630       3.538129 
1 1 1 11 6  35 o 69.522  1.4603 37.896   1.5915  38.494   2.1510  37.171   2.3656  70.061  1.9585 68.842  2.1920 1.218857       2.939483 
1 1 1 11 6  36 f 69.985  1.4614 38.403   1.6034  39.020   2.1679  37.658   2.3822  70.537  1.9605 69.290  2.1931 1.246986       2.941661 
1 1 1 11 6  37 o 72.159  1.4393 40.826   1.6281  39.062   2.1717  43.090   2.4601  70.573  1.9630 74.119  2.1173 -3.545959      2.887202 
1 1 1 11 6  38 o 154.617 1.5794 187.463  3.8282  191.822  5.2204  182.392  5.6306  156.379 2.1295 152.474 2.3556 3.904984       3.175469 
1 1 1 11 6  39 o 283.207 2.0958 629.161  9.3049  611.843  12.860  648.190  13.480  279.179 2.9383 287.344 2.9925 -8.164734      4.193921 
1 1 1 11 6  40 o 102.755 1.4983 82.797   2.4136  83.761   3.7357  82.106   3.1623  103.322 2.3063 102.310 1.9716 1.011932       3.034226 
1 1 1 11 6  41 o 338.564 2.4017 899.543  12.747  911.646  18.288  888.107  17.777  340.624 3.4248 336.210 3.3728 4.414032       4.806773 
1 1 1 11 6  42 o 135.506 1.4348 143.995  3.0479  146.225  4.3776  141.896  4.2462  136.518 2.0455 134.485 2.0141 2.033890       2.870610 
1 1 1 11 6  43 o 14.995  4.3910 1.8012   1.0983  1.1843   1.5334  2.4513   1.5740  14.027  5.2183 17.553  5.2857 -3.525735      7.427587 
1 1 1 11 6  44 o 57.600  1.6228 26.025   1.4653  25.539   2.1018  26.485   2.0439  57.035  2.3507 58.086  2.2446 -1.051113      3.250225 
1 1 1 11 6  45 o 73.924  1.3726 42.861   1.5907  45.058   2.4265  41.205   2.1065  75.766  2.0429 72.464  1.8543 3.302681       2.758943 
1 1 1 11 6  46 o 42.781  1.7430 14.362   1.1689  14.531   1.7944  14.237   1.5407  42.916  2.6805 42.513  2.3206 0.4031982      3.545427 
1 1 1 11 6  47 o 85.293  1.3212 57.064   1.7666  56.253   2.6464  57.716   2.3727  84.646  1.9944 85.755  1.7650 -1.108612      2.663188 
1 1 1 11 6  48 o 104.902 1.2939 86.323   2.1278  88.693   3.2441  84.534   2.8188  106.281 1.9471 103.778 1.7326 2.502838       2.606379 
1 1 1 11 6  49 o 29.753  2.4323 7.0059   1.1246  7.1004   1.5707  6.9065   1.6108  29.817  3.4222 29.376  3.5713 0.4402752      4.946309 
1 1 1 11 6  50 o 12.377  4.1406 1.1409   0.9447  1.9377   1.4407  0.5398   1.2513  15.822  5.1039 11.536  4.5990 4.285899       6.870320 
1 1 1 11 6  51 f 63.114  1.4960 31.265   1.4801  29.185   2.0323  33.615   2.1600  60.935  2.1275 65.399  2.1068 -4.463409      2.994124 
1 1 1 11 6  52 o 42.544  1.8138 14.218   1.2097  14.678   1.6997  13.746   1.7222  43.110  2.5261 41.698  2.6483 1.411739       3.659832 
1 1 1 11 6  53 o 55.483  1.5289 24.169   1.3298  25.464   1.9558  23.056   1.8135  56.900  2.1927 54.147  2.1364 2.752300       3.061389 
1 1 1 11 6  54 o 34.076  2.0401 9.1629   1.0848  8.4955   1.8561  9.5091   1.3369  32.549  3.7035 34.663  2.4766 -2.113400      4.455224 
1 1 1 11 6  55 o 48.212  1.6223 18.258   1.2261  17.645   2.0984  18.576   1.5109  47.206  2.8489 48.604  1.9829 -1.397831      3.471026 
1 1 1 11 6  56 o 65.161  1.3162 33.331   1.3445  34.845   2.0995  32.279   1.7506  66.558  2.0122 64.088  1.7424 2.469856       2.661735 
1 1 1 11 6  57 o 40.928  1.6030 13.161   1.0285  13.409   1.6076  12.989   1.3382  41.168  2.5029 40.571  2.1113 0.5975647      3.274416 
1 1 1 11 6  58 o 9.5854  3.7006 0.4774   0.7883  -0.1816  1.2256  0.9425   1.0296  9.8254  4.2707 11.887  4.3000 -2.061724      6.060413 
1 1 1 11 6  59 o 46.007  1.4526 16.627   1.0477  17.075   1.5220  16.223   1.4444  46.570  2.0847 45.398  2.0295 1.172070       2.909444 
1 1 1 11 6  60 o 54.997  1.5401 23.770   1.3278  25.255   1.6456  20.999   2.2480  56.656  1.8528 51.465  2.7968 5.191010       3.354849 
1 1 1 11 6  61 o 62.463  1.2156 30.635   1.1903  30.638   1.4528  30.630   2.0760  62.439  1.4843 62.347  2.1240 0.9259415E-01  2.591205 
1 1 1 11 6  62 o 101.895 1.4788 81.607   2.3622  79.611   3.5892  83.133   3.1375  100.450 2.2793 102.738 1.9481 -2.287971      2.998337 
1 1 1 11 6  63 o 34.072  2.1883 9.1967   1.1627  11.973   1.8186  7.2776   1.5121  38.727  3.0193 30.083  3.2583 8.644171       4.442151 
1 1 1 11 6  64 o 18.727  3.7432 2.9013   1.0605  1.8665   1.5729  3.7638   1.4360  15.629  5.3422 21.225  4.4576 -5.595532      6.957641 
1 1 1 11 6  65 o 50.376  1.8299 20.001   1.4451  20.375   2.1810  19.709   1.9295  50.595  2.7602 49.895  2.4668 0.7004890      3.701828 
1 1 1 11 6  66 o 17.007  3.9678 2.4209   1.0385  4.2461   1.7092  1.3527   1.3075  22.369  4.9999 13.674  4.8574 8.694036       6.970886 
1 1 1 11 6  67 o 42.294  2.3505 14.217   1.5524  15.030   2.0199  13.044   2.4263  43.309  2.9934 40.016  3.9180 3.293140       4.930647 
1 1 1 11 6  68 o 26.119  3.2186 5.5441   1.2900  5.1391   1.6208  6.2443   2.1308  24.786  4.3288 27.045  5.2149 -2.258787      6.777444 
1 1 1 11 6  69 o 52.245  2.1835 21.640   1.7884  21.784   2.0671  21.214   3.5658  52.319  2.5203 50.611  4.5426 1.708904       5.194928 
1 1 1 11 6  70 o 11.231  4.6869 0.3297   1.3742  1.0584   1.9382  -0.4068  1.9485  14.259  5.7105 11.855  5.2600 2.403956       7.763824 
1 1 1 11 6  71 o 20.201  4.1693 3.4667   1.2766  3.3066   1.6422  3.7111   2.0293  19.439  5.2608 20.446  5.9633 -1.006105      7.952123 
1 1 1 11 6  72 o 46.886  2.2072 17.489   1.6223  17.951   1.9610  16.487   2.8878  47.276  2.6567 44.514  4.1876 2.762478       4.959225 
1 1 1 11 6  73 o 8.9903  3.9208 -0.1108  1.0403  0.3306   1.4588  -0.5675  1.4839  11.430  4.8033 9.9679  4.4936 1.461905       6.577596 
1 1 1 11 6  74 o 28.910  2.5736 6.7481   1.1542  6.4931   1.5685  7.0493   1.7045  27.942  3.6695 29.056  3.8357 -1.114508      5.308286 
1 1 1 11 6  75 o 18.684  3.1088 2.8972   0.8786  3.1706   1.0416  2.2229   1.6357  19.414  3.5531 16.211  5.4482 3.203350       6.504412 
1 1 1 11 6  76 o 14.221  5.2617 1.5078   1.5548  -0.4803  1.9581  4.9007   2.5580  11.602  5.2016 22.771  6.7105 -11.16929      8.490443 
1 1 1 11 6  77 o 7.7392  3.7852 -2.6711  1.5299  -3.5286  1.9185  -1.1730  2.5357  8.4718  4.1630 12.347  5.6833 -3.875360      7.044849 
1 1 1 11 6  78 o 15.329  5.4545 1.9443   1.6494  6.1395   2.7014  -0.5492  2.0827  25.169  6.7203 11.775  5.3144 13.39469       8.567650 
1 1 1 11 6  79 o 17.373  5.8452 2.7355   1.8828  0.6069   2.7128  4.7138   2.6153  14.623  6.3549 21.832  6.8583 -7.209102      9.349904 
1 1 1 11 6  80 o 12.907  5.4155 0.7323   1.8495  5.8060   2.8037  -3.1764  2.4609  23.779  7.0305 10.210  4.9499 13.56955       8.598215 
1 1 1 11 7  0  o 41.429  2.4650 13.598   1.5880  13.598   1.5880  13.598   1.5880  41.429  2.4650 41.429  2.4650 0.000000       0.000000 
1 1 1 11 7  1  f 228.433 1.6333 409.084  5.8488  403.354  8.1642  415.125  8.3831  226.809 2.2961 230.094 2.3241 -3.284866      3.267036 
1 1 1 11 7  2  o 149.149 1.3276 174.387  3.1042  172.198  4.3216  176.719  4.4618  148.202 1.8601 150.135 1.8957 -1.932480      2.655895 
1 1 1 11 7  3  o 127.757 1.3297 127.950  2.6630  124.818  3.5601  131.929  4.0125  126.178 1.7998 129.719 1.9731 -3.541397      2.670704 
1 1 1 11 7  4  o 116.604 1.5211 106.589  2.7805  105.544  3.9175  107.650  3.9470  116.022 2.1538 117.174 2.1487 -1.151947      3.042375 
1 1 1 11 7  5  o 137.814 1.4958 148.892  3.2317  144.536  4.7256  152.719  4.4294  135.771 2.2202 139.565 2.0245 -3.794159      3.004634 
1 1 1 11 7  6  f 220.873 1.7567 382.470  6.0828  374.838  8.4437  390.704  8.7704  218.637 2.4635 223.215 2.5063 -4.577621      3.514347 
1 1 1 11 7  7  f 260.713 2.1990 532.952  8.9874  526.558  14.516  536.926  11.445  259.075 3.5741 261.657 2.7901 -2.581787      4.534204 
1 1 1 11 7  8  o 392.787 3.0382 1210.07  18.708  1188.46  30.005  1223.82  23.929  389.065 4.9195 394.935 3.8649 -5.870148      6.256142 
1 1 1 11 7  9  o 201.678 1.8732 318.894  5.9224  318.978  9.6583  318.844  7.4973  201.663 3.0550 201.647 2.3717 0.1640320E-01  3.867596 
1 1 1 11 7  10 o 213.544 1.8234 357.520  6.1040  352.352  10.432  360.210  7.5271  211.945 3.1396 214.333 2.2402 -2.387634      3.856898 
1 1 1 11 7  11 f 75.510  1.5240 44.700   1.8040  40.995   3.0694  46.656   2.2298  72.299  2.7081 77.141  1.8438 -4.841713      3.276225 
1 1 1 11 7  12 o 192.841 1.5659 291.541  4.7340  290.967  7.8390  291.871  5.9393  192.622 2.5960 192.941 1.9636 -0.3187103     3.254991 
1 1 1 11 7  13 o 166.014 1.5322 216.066  3.9876  223.126  6.4918  211.788  5.0532  168.682 2.4549 164.353 1.9613 4.328812       3.142177 
1 1 1 11 7  14 o 282.340 2.0930 625.044  9.2641  634.687  14.869  618.927  11.844  284.439 3.3347 280.926 2.6893 3.513184       4.283974 
1 1 1 11 7  15 o 352.144 2.4845 972.479  13.715  1004.87  22.393  953.034  17.350  357.819 3.9921 348.550 3.1753 9.269073       5.100909 
1 1 1 11 7  16 o 255.175 2.0573 510.567  8.2299  508.520  12.287  512.232  11.083  254.607 3.0785 255.554 2.7665 -0.9469910     4.138905 
1 1 1 11 7  17 o 375.252 2.4964 1104.34  14.686  1100.83  21.686  1107.31  19.959  374.536 3.6934 375.671 3.3890 -1.135437      5.012695 
1 1 1 11 7  18 o 129.298 1.3522 131.063  2.7408  133.045  4.0647  129.410  3.7116  130.260 1.9905 128.471 1.8429 1.788574       2.712637 
1 1 1 11 7  19 o 280.891 1.9001 618.647  8.3670  607.102  11.588  631.223  12.094  278.214 2.6568 283.683 2.7195 -5.468628      3.801884 
1 1 1 11 7  20 o 39.220  1.8425 12.061   1.1329  10.891   1.5422  13.433   1.6696  37.167  2.6646 41.303  2.5917 -4.135799      3.717098 
1 1 1 11 7  21 o 190.304 1.5391 283.936  4.5917  280.137  6.1527  288.711  6.8984  189.010 2.0765 191.871 2.2934 -2.861755      3.093809 
1 1 1 11 7  22 o 36.441  2.0645 10.446   1.1746  11.155   1.5906  9.5972   1.7418  37.613  2.7159 34.825  3.2270 2.787544       4.217825 
1 1 1 11 7  23 f 180.761 1.5047 256.171  4.2640  257.793  5.7969  254.260  6.2943  181.315 2.0394 180.061 2.2298 1.254089       3.021827 
1 1 1 11 7  24 o 170.513 1.4651 227.947  3.9162  228.350  5.3001  227.464  5.8120  170.648 1.9812 170.310 2.1769 0.3383026      2.943449 
1 1 1 11 7  25 o 250.446 1.9129 491.833  7.5103  483.117  9.5424  506.020  12.174  248.187 2.4526 253.958 3.0579 -5.770966      3.919945 
1 1 1 11 7  26 o 268.102 1.9133 563.629  8.0414  567.777  10.951  558.775  11.846  269.043 2.5964 266.884 2.8314 2.159302       3.841658 
1 1 1 11 7  27 o 214.726 1.7315 361.521  5.8285  364.454  8.2601  358.613  8.2256  215.560 2.4443 213.825 2.4539 1.734726       3.463595 
1 1 1 11 7  28 f 160.236 1.5102 201.305  3.7935  202.602  5.3650  200.009  5.3645  160.731 2.1292 159.698 2.1428 1.032516       3.020755 
1 1 1 11 7  29 f 138.655 1.3824 150.727  3.0048  151.827  4.0701  149.409  4.4548  139.147 1.8659 138.029 2.0587 1.118423       2.778466 
1 1 1 11 7  30 o 339.993 2.3012 906.657  12.265  903.596  15.316  912.129  20.479  339.358 2.8790 340.824 3.8330 -1.466705      4.793764 
1 1 1 11 7  31 o 76.511  1.3734 45.896   1.6473  45.841   2.1558  45.973   2.5538  76.459  1.7986 76.563  2.1277 -0.1039734     2.786042 
1 1 1 11 7  32 o 93.587  1.3476 68.669   1.9771  70.629   2.6935  66.380   2.9111  94.904  1.8104 92.001  2.0184 2.903336       2.711416 
1 1 1 11 7  33 o 164.249 1.4008 211.518  3.6069  210.791  4.6989  212.562  5.6278  163.951 1.8282 164.622 2.1807 -0.6715698     2.845649 
1 1 1 11 7  34 o 123.049 1.2996 118.709  2.5069  117.332  3.2482  120.737  3.9423  122.323 1.6939 124.073 2.0268 -1.750809      2.641452 
1 1 1 11 7  35 o 120.217 1.3022 113.310  2.4541  111.678  3.1898  115.676  3.8417  119.337 1.7050 121.443 2.0179 -2.106392      2.641785 
1 1 1 11 7  36 o 181.370 1.5272 257.941  4.3423  254.474  5.8178  262.302  6.5248  180.118 2.0604 182.854 2.2762 -2.735306      3.070199 
1 1 1 11 7  37 o 147.223 1.4187 169.952  3.2744  167.903  4.3912  172.518  4.9141  146.311 1.9145 148.298 2.1138 -1.986481      2.851891 
1 1 1 11 7  38 o 145.891 1.4124 166.897  3.2304  168.882  4.4008  164.577  4.7569  146.733 1.9131 144.841 2.0950 1.892380       2.837077 
1 1 1 11 7  39 o 88.487  1.3864 61.398   1.9232  59.348   2.5778  63.972   2.8882  86.982  1.8905 90.301  2.0402 -3.319847      2.781440 
1 1 1 11 7  40 o 36.745  2.1661 10.631   1.2422  11.739   1.7031  9.3718   1.8159  38.560  2.8373 34.364  3.4161 4.196278       4.440779 
1 1 1 11 7  41 o 95.315  1.3492 71.244   2.0160  72.246   2.7628  70.103   2.9483  95.964  1.8365 94.523  1.9897 1.440987       2.707646 
1 1 1 11 7  42 o 144.055 1.4032 162.752  3.1689  157.764  4.2086  169.283  4.8156  141.798 1.8933 146.866 2.0916 -5.068466      2.821202 
1 1 1 11 7  43 o 111.252 1.3393 97.071   2.3359  96.981   3.1603  97.178   3.4680  111.174 1.8133 111.275 1.9881 -0.1013031     2.690800 
1 1 1 11 7  44 o 49.214  1.6026 19.002   1.2364  20.847   1.7788  17.278   1.7199  51.526  2.2021 46.903  2.3391 4.622852       3.212569 
1 1 1 11 7  45 o 34.656  2.0029 9.4606   1.0835  8.8380   1.5245  10.096   1.5402  33.392  2.9423 35.727  2.7717 -2.334900      4.042220 
1 1 1 11 7  46 o 41.458  1.7314 13.490   1.1253  15.652   1.6112  11.431   1.5723  44.573  2.3137 38.036  2.6535 6.536888       3.520562 
1 1 1 11 7  47 o 60.438  1.4172 28.661   1.3428  25.942   1.8531  31.666   1.9484  57.469  2.0569 63.499  1.9573 -6.029961      2.839314 
1 1 1 11 7  48 o 29.650  2.3481 6.9546   1.0825  6.3446   1.4293  7.7752   1.6578  28.178  3.2981 31.208  3.4459 -3.029884      4.769898 
1 1 1 11 7  49 o 46.738  1.6130 17.149   1.1818  17.189   1.6883  17.110   1.6549  46.755  2.3034 46.650  2.2630 0.1056175      3.229064 
1 1 1 11 7  50 o 170.938 1.4167 229.330  3.7963  234.016  5.4482  224.908  5.2926  172.562 2.0140 169.174 1.9956 3.387451       2.835268 
1 1 1 11 7  51 o 52.555  1.4672 21.682   1.2088  22.009   1.7232  21.365   1.6961  52.910  2.0775 52.131  2.0754 0.7792511      2.936506 
1 1 1 11 7  52 o 65.835  1.3529 34.019   1.3963  33.391   1.9736  34.649   1.9757  65.178  1.9316 66.397  1.8981 -1.218773      2.708098 
1 1 1 11 7  53 o 59.926  1.3899 28.191   1.3057  25.118   1.8198  31.451   1.8744  56.514  2.0541 63.255  1.8903 -6.740726      2.791479 
1 1 1 11 7  54 o 35.654  2.1864 10.042   1.2161  10.661   1.7122  9.4111   1.7277  36.619  3.0092 34.348  3.2470 2.270451       4.427043 
1 1 1 11 7  55 o 113.062 1.3927 100.373  2.4685  98.916   3.3818  102.034  3.6117  112.151 1.9235 113.884 2.0230 -1.733765      2.791452 
1 1 1 11 7  56 o 84.277  1.3798 55.773   1.8230  57.031   3.0087  55.043   2.2915  85.094  2.2554 83.678  1.7468 1.415871       2.852738 
1 1 1 11 7  57 o 22.410  3.0184 4.0420   1.0334  3.8479   1.6410  4.1696   1.3304  21.478  4.9719 22.586  3.8984 -1.107025      6.318037 
1 1 1 11 7  58 o 42.017  1.7777 13.885   1.1710  14.136   1.7932  13.698   1.5461  42.215  2.7242 41.612  2.3800 0.6023140      3.617407 
1 1 1 11 7  59 o 62.712  1.4433 30.900   1.4189  31.199   2.1974  30.686   1.8583  62.912  2.2281 62.441  1.8984 0.4714279      2.927126 
1 1 1 11 7  60 o 41.223  1.6554 13.365   1.0698  13.330   1.6125  13.392   1.4298  41.004  2.5207 41.152  2.2246 -0.1475067     3.361964 
1 1 1 11 7  61 o 34.590  2.1965 9.4752   1.1849  11.313   1.5902  7.1810   1.7767  37.715  2.7076 29.731  3.9064 7.983545       4.753022 
1 1 1 11 7  62 o 87.039  1.4175 59.552   1.9342  58.853   2.6860  60.305   2.7875  86.408  1.9829 87.455  2.0332 -1.046959      2.840044 
1 1 1 11 7  63 o 11.694  4.7983 0.4298   1.4074  -0.5591  1.8167  1.9142   2.2258  11.379  5.0626 16.852  6.2835 -5.472425      8.069196 
1 1 1 11 7  64 o 43.446  2.1645 14.914   1.4743  13.643   2.2171  15.921   1.9738  41.162  3.4682 44.678  2.8328 -3.515423      4.478084 
1 1 1 11 7  65 o 71.852  1.7117 40.688   1.9280  38.101   2.8644  42.831   2.6069  69.271  2.6378 73.571  2.2603 -4.299988      3.473733 
1 1 1 11 7  66 o 28.456  2.6603 6.4926   1.1730  5.6994   1.6163  7.3751   1.7049  26.251  4.0587 30.050  3.6972 -3.799519      5.490169 
1 1 1 11 7  67 o 10.027  4.1420 0.2842   1.0578  1.4436   1.4554  -1.0140  1.5400  14.147  5.1132 9.6529  4.4379 4.494032       6.770526 
1 1 1 11 7  68 o 23.196  3.0905 4.3871   1.0959  4.3131   1.5739  4.4568   1.5267  22.507  4.6154 22.962  4.4015 -0.4548168     6.377720 
1 1 1 11 7  69 o 77.292  1.5631 47.138   1.8940  46.385   2.9151  47.688   2.4914  76.313  2.4367 77.559  2.0491 -1.245262      3.183784 
1 1 1 11 7  70 o 35.128  2.8002 9.9538   1.5293  7.6299   1.9645  13.528   2.4363  30.149  4.2762 40.492  3.8857 -10.34307      5.777945 
1 1 1 11 7  71 o 33.993  3.2409 9.4324   1.7062  7.6854   2.4632  11.043   2.3655  29.568  5.5171 36.321  4.2338 -6.753328      6.954354 
1 1 1 11 7  72 o 15.398  4.8266 2.0136   1.2961  2.5759   1.6968  1.2261   2.0081  17.256  5.5361 14.568  5.8201 2.688277       8.032578 
1 1 1 11 7  73 o 32.818  2.7020 8.7107   1.3778  10.956   1.9420  6.4355   1.9550  36.501  3.4342 27.297  4.7403 9.203932       5.853598 
1 1 1 11 7  74 o 25.872  3.1732 5.5092   1.2600  6.2738   1.7326  4.6510   1.8356  27.178  4.2022 22.860  5.2349 4.318260       6.712890 
1 1 1 11 7  75 o 15.646  4.7393 2.1204   1.2626  2.8744   1.5251  0.4775   2.2512  17.982  5.1481 13.726  5.8750 4.255821       7.811488 
1 1 1 11 7  76 o 27.929  4.0901 6.6348   1.7378  8.3031   2.5517  5.1918   2.3732  30.377  5.5634 23.471  6.3124 6.906008       8.414174 
1 1 1 11 7  77 f 10.520  4.6962 -0.3352  1.5775  -1.2367  2.2279  0.5713   2.2340  11.375  5.2680 13.689  5.8556 -2.314030      7.876501 
1 1 1 11 7  78 o 27.160  4.5543 6.4757   1.8705  3.7990   2.9567  8.2617   2.4152  19.864  7.2713 30.219  5.2909 -10.35493      8.992563 
1 1 1 11 7  79 o 17.568  5.5876 2.8759   1.7314  2.5287   2.7438  3.1056   2.2319  17.296  6.8371 18.126  6.3549 -0.8294258     9.334356 
1 1 1 11 8  0  o 442.877 3.8989 1538.61  27.065  1538.61  27.065  1538.61  27.065  442.877 3.8989 442.877 3.8989 0.000000       0.000000 
1 1 1 11 8  1  o 51.003  1.5275 20.393   1.2213  21.922   1.7600  18.973   1.6962  52.876  2.1233 49.190  2.1996 3.686039       3.057199 
1 1 1 11 8  2  o 57.272  1.4382 25.714   1.2913  27.282   1.8659  24.274   1.7888  58.987  2.0178 55.640  2.0508 3.347206       2.877005 
1 1 1 11 8  3  f 75.655  1.3199 44.870   1.5654  49.640   2.2668  40.521   2.1645  79.571  1.8172 71.890  1.9206 7.680809       2.644039 
1 1 1 11 8  4  o 222.089 1.6153 386.689  5.6238  385.791  7.9511  387.588  7.9553  221.810 2.2866 222.326 2.2825 -0.5161285     3.230864 
1 1 1 11 8  5  o 187.898 1.4685 276.782  4.3257  277.757  6.1244  275.812  6.1104  188.214 2.0757 187.554 2.0782 0.6604156      2.937243 
1 1 1 11 8  6  o 132.535 1.2961 137.701  2.6930  136.369  3.7947  139.052  3.8223  131.884 1.8354 133.175 1.8308 -1.291153      2.592416 
1 1 1 11 8  7  o 318.758 2.0906 796.709  10.447  781.919  14.528  812.544  15.033  315.731 2.9352 321.851 2.9794 -6.120270      4.182344 
1 1 1 11 8  8  f 179.825 1.5069 253.516  4.2481  255.415  5.7744  251.276  6.2719  180.483 2.0409 179.008 2.2350 1.474564       3.026586 
1 1 1 11 8  9  o 228.688 1.6467 410.025  5.9035  416.397  8.4632  403.985  8.2391  230.431 2.3428 226.972 2.3155 3.459213       3.294013 
1 1 1 11 8  10 o 131.875 1.3511 136.338  2.7931  139.206  3.8310  133.085  4.0809  133.246 1.8340 130.280 1.9981 2.965927       2.712249 
1 1 1 11 8  11 o 192.499 1.4900 290.514  4.4964  287.233  6.2969  293.928  6.4227  191.391 2.0987 193.608 2.1161 -2.216827      2.980369 
1 1 1 11 8  12 o 248.813 1.7487 485.389  6.8210  471.943  9.4017  500.330  9.9110  245.311 2.4448 252.577 2.5030 -7.266586      3.498871 
1 1 1 11 8  13 o 187.809 1.5475 276.538  4.5562  283.533  6.3211  268.973  6.5733  190.152 2.1205 185.200 2.2640 4.951843       3.101998 
1 1 1 11 8  14 o 258.831 2.0625 525.326  8.3688  524.359  11.191  526.554  12.606  258.552 2.7610 259.068 3.1038 -0.5162354     4.154124 
1 1 1 11 8  15 o 257.279 2.0560 519.049  8.2926  512.099  10.955  528.373  12.690  255.511 2.7351 259.512 3.1192 -4.000610      4.148473 
1 1 1 11 8  16 o 110.167 1.4559 95.151   2.5144  96.248   3.3669  93.769   3.7806  110.791 1.9386 109.349 2.2055 1.442055       2.936325 
1 1 1 11 8  17 o 272.143 2.2746 580.817  9.7040  589.805  13.879  572.221  13.573  274.170 3.2291 270.054 3.2061 4.115814       4.550434 
1 1 1 11 8  18 o 164.303 1.6039 211.653  4.1311  217.828  5.6072  204.322  6.1096  166.665 2.1461 161.406 2.4146 5.259567       3.230470 
1 1 1 11 8  19 o 291.760 2.1385 667.538  9.7812  668.331  13.806  666.740  13.860  291.866 3.0174 291.517 3.0327 0.3490295      4.278084 
1 1 1 11 8  20 o 134.315 1.4301 141.437  3.0113  141.959  4.2475  140.910  4.2697  134.548 2.0137 134.050 2.0318 0.4984283      2.860634 
1 1 1 11 8  21 o 295.867 2.1662 686.484  10.047  685.197  12.926  688.448  15.971  295.541 2.7899 296.179 3.4397 -0.6376038     4.428914 
1 1 1 11 8  22 o 240.760 1.9831 454.545  7.4849  452.378  10.003  457.302  11.283  240.146 2.6570 241.426 2.9812 -1.280014      3.993386 
1 1 1 11 8  23 o 89.052  1.6348 62.179   2.2822  57.538   3.1632  67.216   3.2960  85.652  2.3558 92.577  2.2711 -6.925453      3.272229 
1 1 1 11 8  24 o 223.561 2.0161 391.935  7.0657  387.699  9.9249  396.289  10.061  222.299 2.8480 224.748 2.8557 -2.448517      4.033087 
1 1 1 11 8  25 o 131.306 1.6460 135.185  3.3882  130.443  4.7296  140.184  4.8563  128.962 2.3394 133.691 2.3171 -4.729294      3.292698 
1 1 1 11 8  26 o 147.190 1.5877 169.868  3.6636  163.011  5.4468  175.533  4.9507  144.161 2.4102 149.607 2.1109 -5.446579      3.203841 
1 1 1 11 8  27 o 185.473 1.8321 269.751  5.3269  267.533  8.7207  271.072  6.7279  184.644 3.0128 185.904 2.3085 -1.259979      3.795543 
1 1 1 11 8  28 o 51.694  1.9870 20.956   1.6102  18.602   2.4895  22.650   2.1113  48.571  3.2889 53.734  2.5063 -5.162956      4.135079 
1 1 1 11 8  29 o 234.748 1.9609 432.164  7.2161  434.337  10.951  430.497  9.5934  235.260 2.9694 234.248 2.6124 1.011429       3.954963 
1 1 1 11 8  30 o 203.301 1.9326 324.136  6.1594  321.334  8.7046  326.946  8.7168  202.367 2.7438 204.128 2.7240 -1.760864      3.866331 
1 1 1 11 8  31 o 172.055 1.6810 232.133  4.5341  236.598  6.9634  228.847  5.9742  173.655 2.5579 170.806 2.2311 2.848572       3.394195 
1 1 1 11 8  32 o 155.279 1.6911 189.078  4.1166  187.781  5.8383  190.360  5.8054  154.711 2.4072 155.772 2.3773 -1.060654      3.383228 
1 1 1 11 8  33 o 176.828 1.5290 245.183  4.2384  245.732  5.7703  244.539  6.2461  176.997 2.0796 176.556 2.2567 0.4411621      3.068749 
1 1 1 11 8  34 o 115.297 1.3885 104.232  2.5097  105.419  3.4395  102.880  3.6702  115.935 1.8925 114.524 2.0443 1.410698       2.785756 
1 1 1 11 8  35 o 97.052  1.4677 73.860   2.2331  75.816   3.2647  72.139   3.0613  98.308  2.1183 95.897  2.0363 2.410988       2.938360 
1 1 1 11 8  36 o 125.545 1.4664 123.596  2.8861  123.031  4.1210  124.141  4.0433  125.229 2.0992 125.795 2.0503 -0.5664139     2.934325 
1 1 1 11 8  37 o 127.489 1.3938 127.454  2.7856  126.029  3.7373  129.236  4.1785  126.753 1.8808 128.345 2.0768 -1.592117      2.801849 
1 1 1 11 8  38 o 202.815 1.6317 322.625  5.1879  320.920  7.0011  324.701  7.7260  202.226 2.2084 203.390 2.4231 -1.164001      3.278488 
1 1 1 11 8  39 o 75.668  1.4590 44.905   1.7308  44.660   2.3470  45.197   2.5625  75.444  1.9844 75.889  2.1540 -0.4448242     2.928709 
1 1 1 11 8  40 o 205.462 1.6356 331.150  5.2681  332.356  7.1624  329.729  7.7759  205.767 2.2204 204.925 2.4205 0.8426971      3.284637 
1 1 1 11 8  41 o 40.262  2.0301 12.756   1.2772  14.332   1.7324  10.879   1.8905  42.634  2.6045 37.044  3.2896 5.589199       4.195837 
1 1 1 11 8  42 o 77.661  1.4081 47.309   1.7143  46.964   2.3215  47.722   2.5423  77.354  1.9144 77.966  2.0800 -0.6121216     2.826915 
1 1 1 11 8  43 o 79.095  1.3917 49.076   1.7256  48.677   2.3331  49.558   2.5640  78.747  1.8899 79.446  2.0587 -0.6988525     2.794639 
1 1 1 11 8  44 o 63.578  1.4097 31.712   1.4050  31.289   1.9523  32.166   2.0235  63.126  1.9728 64.001  2.0168 -0.8751106     2.821256 
1 1 1 11 8  45 o 91.611  1.2914 65.839   1.8547  66.478   2.6363  65.212   2.6098  92.017  1.8276 91.136  1.8267 0.8805237      2.583939 
1 1 1 11 8  46 o 109.284 1.2867 93.697   2.2043  93.114   3.0961  94.296   3.1391  108.895 1.8137 109.582 1.8273 -0.6875534     2.574556 
1 1 1 11 8  47 o 42.810  1.7922 14.393   1.2028  15.472   1.6551  13.185   1.7510  44.290  2.3927 40.830  2.7517 3.459373       3.646442 
1 1 1 11 8  48 o 69.734  1.5820 38.178   1.7295  39.869   2.6429  36.912   2.2872  71.191  2.3681 68.524  2.1291 2.666702       3.184547 
1 1 1 11 8  49 o 54.897  1.6863 23.668   1.4513  25.102   1.9682  21.960   2.1484  56.494  2.2223 52.807  2.5952 3.686977       3.416671 
1 1 1 11 8  50 o 47.416  1.8021 17.665   1.3395  17.750   1.7799  17.553   2.0341  47.426  2.4019 47.109  2.7664 0.3172264      3.663657 
1 1 1 11 8  51 o 17.844  3.9833 2.6248   1.0860  4.0891   1.4720  0.8756   1.6089  22.301  4.3667 13.412  5.2562 8.889543       6.833410 
1 1 1 11 8  52 o 53.725  1.7383 22.682   1.4641  22.316   1.8090  23.379   2.4928  53.252  2.1669 54.338  2.9372 -1.086342      3.650064 
1 1 1 11 8  53 o 49.554  1.7531 19.301   1.3619  19.160   1.9581  19.433   1.8953  49.234  2.5457 49.660  2.4346 -0.4266815     3.522506 
1 1 1 11 8  54 o 63.036  1.4635 31.209   1.4462  33.626   2.0191  28.663   2.0725  65.378  1.9700 60.334  2.1911 5.043465       2.946522 
1 1 1 11 8  55 o 43.463  1.7843 14.853   1.2157  16.013   1.6819  13.584   1.7594  45.008  2.3922 41.389  2.7269 3.618935       3.627482 
1 1 1 11 8  56 o 35.409  2.0339 9.9025   1.1243  11.526   1.5208  7.9456   1.6696  38.132  2.5589 31.463  3.4411 6.668633       4.288229 
1 1 1 11 8  57 f 85.203  1.4406 57.035   1.9242  56.287   2.4447  58.252   3.1194  84.580  1.8438 85.950  2.3151 -1.369759      2.959576 
1 1 1 11 8  58 o 55.114  1.6326 23.885   1.4106  24.475   2.1098  23.408   1.8969  55.685  2.4168 54.488  2.2207 1.197697       3.282144 
1 1 1 11 8  59 o 33.578  2.3210 8.9402   1.2142  5.8323   1.8829  11.153   1.5888  26.542  4.6971 37.447  2.7251 -10.90459      5.430355 
1 1 1 11 8  60 o 32.649  2.1721 8.4462   1.1054  7.1401   1.5065  9.9696   1.6269  29.788  3.2804 35.329  2.9650 -5.541027      4.421754 
1 1 1 11 8  61 o 52.451  1.5312 21.640   1.2590  22.342   1.8255  21.003   1.7388  53.198  2.1890 51.584  2.1502 1.613293       3.068354 
1 1 1 11 8  62 o 46.709  1.5495 17.168   1.1346  17.157   1.7771  17.176   1.4741  46.496  2.4467 46.656  2.0154 -0.1601639     3.169941 
1 1 1 11 8  63 o 11.694  4.3138 0.8958   1.0435  2.3972   1.3278  -1.5290  1.6875  16.907  4.7910 9.6278  4.5012 7.279097       6.573743 
1 1 1 11 8  64 o 58.529  1.8712 27.036   1.7170  28.037   2.8765  26.482   2.1400  59.172  3.1119 57.810  2.3613 1.361588       3.906348 
1 1 1 11 8  65 o 47.553  2.0692 17.887   1.5425  19.330   2.5724  17.077   1.9275  48.959  3.3722 46.250  2.6698 2.709011       4.301120 
1 1 1 11 8  66 o 28.191  3.0115 6.4291   1.3103  5.9532   2.1781  6.6991   1.6403  26.234  5.4732 28.545  3.7568 -2.310947      6.638474 
1 1 1 11 8  67 o 27.537  3.6279 6.2395   1.5280  4.6869   2.1701  7.7661   2.1518  22.993  5.9683 30.339  4.6744 -7.346376      7.581002 
1 1 1 11 8  68 o 53.518  1.9666 22.696   1.6500  21.533   2.4204  23.705   2.2552  51.680  3.0004 54.459  2.6415 -2.779163      3.997515 
1 1 1 11 8  69 f 23.346  3.7512 4.5515   1.3264  4.0132   2.0744  4.9238   1.7251  21.149  5.9866 23.892  4.7730 -2.742270      7.656475 
1 1 1 11 8  70 o 43.311  2.0380 14.902   1.3838  14.909   1.9856  14.896   1.9295  42.907  2.9702 42.928  2.8839 -0.2111435E-01 4.139894 
1 1 1 11 8  71 o 51.709  1.7404 21.176   1.4108  19.020   1.9955  23.331   1.9948  48.621  2.6278 54.045  2.3544 -5.423733      3.528273 
1 1 1 11 8  72 o 38.032  2.9360 11.751   1.7369  12.796   2.3474  10.485   2.5821  39.206  3.8697 34.884  4.8532 4.321911       6.207150 
1 1 1 11 8  73 o 30.799  3.0336 7.7558   1.4456  7.9000   1.8296  7.5161   2.3586  30.692  3.8899 29.111  5.3661 1.580795       6.627663 
1 1 1 11 8  74 o 36.442  2.5797 10.729   1.4642  11.161   1.8997  10.098   2.2982  36.814  3.3277 34.427  4.3558 2.386997       5.481523 
1 1 1 11 8  75 o 16.130  4.6357 2.2864   1.2345  2.3711   1.5513  2.1400   2.0384  16.430  5.2958 16.256  6.0226 0.1747723      8.019811 
1 1 1 11 8  76 o 15.250  5.8031 1.7840   1.9201  4.0611   2.8808  -0.0361  2.5756  20.495  7.2175 13.593  6.0384 6.902377       9.410339 
1 1 1 11 8  77 o 11.324  5.0831 -0.3648  1.8756  -0.5054  2.6652  -0.2268  2.6400  13.144  5.9646 13.399  6.0214 -0.2547398     8.475482 
1 1 1 11 8  78 o 9.3860  4.5030 -2.1606  1.9121  -5.3557  2.6936  1.0847   2.7147  9.4881  4.7113 15.026  6.4421 -5.538420      7.981004 
1 1 1 11 9  0  o 178.885 2.0488 250.968  5.7438  250.968  5.7438  250.968  5.7438  178.885 2.0488 178.885 2.0488 0.000000       0.000000 
1 1 1 11 9  1  o 224.776 1.6363 396.126  5.7660  391.734  8.0675  400.712  8.2442  223.499 2.3026 226.044 2.3265 -2.545456      3.273277 
1 1 1 11 9  2  o 67.602  1.4062 35.828   1.4902  39.880   2.1506  32.086   2.0668  71.317  1.9236 63.967  2.0611 7.349602       2.819287 
1 1 1 11 9  3  o 43.703  1.7565 14.976   1.2034  16.763   1.7133  13.235   1.6907  46.172  2.3750 40.992  2.6450 5.179386       3.554835 
1 1 1 11 9  4  o 166.277 1.4082 216.756  3.6706  219.157  5.2236  214.413  5.1591  167.180 1.9931 165.360 1.9902 1.819427       2.816603 
1 1 1 11 9  5  o 131.699 1.3114 135.976  2.7075  134.230  3.7956  137.785  3.8633  130.840 1.8505 132.561 1.8591 -1.720993      2.623058 
1 1 1 11 9  6  o 224.187 1.6338 394.055  5.7421  387.987  8.0196  400.439  8.2255  222.426 2.2999 225.966 2.3220 -3.540009      3.268253 
1 1 1 11 9  7  o 171.173 1.4202 229.710  3.8111  225.366  5.3141  234.310  5.4686  169.530 1.9995 172.861 2.0180 -3.330612      2.840847 
1 1 1 11 9  8  o 36.718  1.9904 10.603   1.1414  9.5136   1.5877  11.768   1.6421  34.699  2.9466 38.637  2.7287 -3.937817      4.015968 
1 1 1 11 9  9  o 161.819 1.3946 205.291  3.5377  203.311  4.9618  207.338  5.0455  161.022 1.9656 162.608 1.9793 -1.586578      2.789475 
1 1 1 11 9  10 o 94.954  1.3429 70.685   1.9990  68.161   2.8812  73.028   2.7757  93.233  1.9713 96.507  1.8347 -3.273827      2.692919 
1 1 1 11 9  11 o 180.756 1.4624 256.154  4.1439  244.031  5.6533  270.233  6.0921  176.408 2.0442 185.635 2.0934 -9.227386      2.925959 
1 1 1 11 9  12 o 65.121  1.4435 33.247   1.4737  33.895   2.0717  32.583   2.0967  65.746  2.0101 64.460  2.0749 1.285561       2.888847 
1 1 1 11 9  13 o 71.240  1.4537 39.790   1.6236  38.711   2.1785  41.137   2.4349  70.261  1.9779 72.427  2.1445 -2.165909      2.917331 
1 1 1 11 9  14 o 143.939 1.3396 162.430  3.0228  163.829  4.2773  161.033  4.2726  144.545 1.8876 143.306 1.9018 1.239380       2.679552 
1 1 1 11 9  15 o 138.878 1.3271 151.207  2.8893  152.347  4.0977  150.079  4.0746  139.388 1.8752 138.346 1.8787 1.041428       2.654466 
1 1 1 11 9  16 f 257.567 1.7940 520.182  7.2440  513.551  10.135  527.108  10.358  255.877 2.5266 259.231 2.5488 -3.353683      3.588837 
1 1 1 11 9  17 o 271.083 1.8592 576.225  7.9010  579.449  11.219  573.053  11.129  271.789 2.6331 270.285 2.6265 1.503784       3.719129 
1 1 1 11 9  18 o 147.671 1.3617 170.962  3.1522  173.221  4.4942  168.775  4.4225  148.628 1.9288 146.708 1.9229 1.919907       2.723608 
1 1 1 11 9  19 o 165.403 1.4093 214.490  3.6542  215.692  5.1866  213.304  5.1493  165.847 1.9949 164.926 1.9916 0.9207001      2.818884 
1 1 1 11 9  20 o 155.175 1.3871 188.783  3.3742  185.494  4.7167  192.230  4.8289  153.800 1.9563 156.568 1.9674 -2.767365      2.774461 
1 1 1 11 9  21 o 159.858 1.3974 200.352  3.5020  206.263  5.0410  194.838  4.8687  162.180 1.9827 157.625 1.9703 4.555313       2.795242 
1 1 1 11 9  22 o 271.131 1.9451 576.474  8.2676  580.874  11.262  571.332  12.175  272.111 2.6402 269.845 2.8781 2.265656       3.905647 
1 1 1 11 9  23 o 153.404 1.5951 184.517  3.8359  182.972  5.0916  186.545  5.8333  152.742 2.1264 154.214 2.4129 -1.471802      3.216147 
1 1 1 11 9  24 o 153.102 1.6046 183.793  3.8513  183.391  5.1283  184.313  5.8323  152.915 2.1393 153.286 2.4271 -0.3712921     3.235342 
1 1 1 11 9  25 o 220.552 1.8917 381.463  6.5406  384.025  8.7962  378.295  9.7818  221.250 2.5361 219.569 2.8418 1.680710       3.808865 
1 1 1 11 9  26 o 62.957  1.8723 31.083   1.8478  32.017   2.3698  29.633   2.9514  63.887  2.3662 61.447  3.0639 2.439903       3.871187 
1 1 1 11 9  27 f 132.908 1.6527 138.513  3.4434  134.796  4.7391  142.671  5.0118  131.088 2.3061 134.860 2.3706 -3.771927      3.307229 
1 1 1 11 9  28 o 194.187 1.6843 295.696  5.1273  292.368  7.1659  299.187  7.3394  193.051 2.3678 195.287 2.3973 -2.236252      3.369526 
1 1 1 11 9  29 o 201.716 1.7239 319.084  5.4514  327.398  7.8738  311.430  7.5550  204.278 2.4587 199.237 2.4188 5.040604       3.449063 
1 1 1 11 9  30 o 52.276  1.8785 21.433   1.5394  21.979   1.9909  20.620   2.4277  52.929  2.3994 51.161  3.0406 1.767811       3.873303 
1 1 1 11 9  31 o 81.134  1.4874 51.617   1.8918  52.211   2.5427  50.881   2.8314  81.587  1.9880 80.533  2.2427 1.053261       2.996997 
1 1 1 11 9  32 o 109.586 1.5547 94.174   2.6708  94.324   3.2763  93.877   4.6114  109.661 1.9058 109.365 2.6897 0.2963409      3.296432 
1 1 1 11 9  33 o 197.116 1.8015 304.751  5.5667  306.926  7.4835  302.056  8.3292  197.768 2.4138 196.163 2.7085 1.604614       3.628008 
1 1 1 11 9  34 o 223.566 1.9226 392.080  6.7382  400.111  9.1735  382.671  9.9299  225.772 2.5918 220.761 2.8693 5.010605       3.866565 
1 1 1 11 9  35 o 66.754  1.7361 34.953   1.8168  35.939   2.4361  33.717   2.7273  67.672  2.2963 65.533  2.6548 2.138855       3.510100 
1 1 1 11 9  36 o 47.956  1.9443 18.043   1.4617  17.688   1.8608  18.616   2.3620  47.399  2.5132 48.575  3.1182 -1.175770      4.004893 
1 1 1 11 9  37 o 174.100 1.6108 237.757  4.3963  237.380  5.6454  238.339  7.0078  173.921 2.0706 174.217 2.5659 -0.2956085     3.297106 
1 1 1 11 9  38 o 57.119  1.7437 25.597   1.5614  27.097   2.0364  23.456   2.4323  58.752  2.2109 54.561  2.8536 4.190868       3.609920 
1 1 1 11 9  39 o 82.083  1.6265 52.860   2.0929  50.720   2.7714  55.700   3.1929  80.375  2.1995 84.213  2.4185 -3.838646      3.269100 
1 1 1 11 9  40 o 32.515  2.6693 8.3649   1.3486  7.0314   1.8154  10.007   2.0145  29.595  4.0168 35.452  3.6783 -5.857353      5.446568 
1 1 1 11 9  41 o 118.690 1.5970 110.540  2.9715  113.226  4.3074  108.102  4.1045  120.056 2.2886 117.314 2.2318 2.741447       3.196686 
1 1 1 11 9  42 o 73.851  1.6591 42.805   1.9208  46.078   2.8154  39.955   2.6271  76.574  2.3454 71.304  2.3502 5.269463       3.320293 
1 1 1 11 9  43 o 65.967  1.6368 34.157   1.6927  32.664   2.5327  35.361   2.2754  64.451  2.5067 67.086  2.1636 -2.634773      3.311316 
1 1 1 11 9  44 o 51.170  1.8205 20.561   1.4603  21.236   2.1982  20.029   1.9538  51.874  2.7126 50.464  2.4697 1.410358       3.668448 
1 1 1 11 9  45 o 62.537  1.5671 30.700   1.5364  30.224   2.2392  31.124   2.1119  61.996  2.3039 62.927  2.1409 -0.9307594     3.145061 
1 1 1 11 9  46 o 35.985  2.1621 10.217   1.2140  11.833   1.8767  9.0543   1.5920  38.607  3.1278 33.751  3.0416 4.855762       4.362803 
1 1 1 11 9  47 o 23.708  3.5637 4.5410   1.2835  7.1608   2.0128  2.7455   1.6663  29.704  4.4603 18.372  5.4166 11.33208       7.016622 
1 1 1 11 9  48 o 49.875  1.6779 19.539   1.3119  19.513   1.7640  19.572   1.9625  49.799  2.2596 49.788  2.5226 0.1094437E-01  3.386638 
1 1 1 11 9  49 o 37.283  2.0430 10.964   1.1895  9.7306   1.5906  12.529   1.7918  34.994  2.9262 39.744  2.8957 -4.749966      4.116819 
1 1 1 11 9  50 o 7.2539  3.4277 -1.1768  1.0254  -1.0297  1.4150  -1.3395  1.4881  9.2589  4.2558 9.1562  4.2626 0.1027431      6.023408 
1 1 1 11 9  51 o 56.993  1.6950 25.526   1.5144  24.938   2.2506  26.012   2.0473  56.241  2.5527 57.474  2.2723 -1.232903      3.417495 
1 1 1 11 9  52 o 45.354  2.2012 16.197   1.5651  19.615   2.4443  13.823   2.0375  49.693  3.1540 41.684  3.1411 8.008892       4.451303 
1 1 1 11 9  53 o 87.573  1.5167 60.250   2.0822  59.244   3.5136  60.794   2.5851  86.649  2.5867 87.914  1.8757 -1.264992      3.195152 
1 1 1 11 9  54 o 49.616  1.8189 19.364   1.4148  19.292   2.1239  19.421   1.8969  49.339  2.7570 49.621  2.4386 -0.2821960     3.680740 
1 1 1 11 9  55 o 43.753  1.8978 15.065   1.3017  17.050   1.9840  13.565   1.7248  46.366  2.7417 41.351  2.6751 5.015106       3.830477 
1 1 1 11 9  56 o 54.180  1.6977 23.088   1.4420  24.191   2.1920  22.247   1.9145  55.344  2.5264 53.109  2.2996 2.235249       3.416243 
1 1 1 11 9  57 o 69.073  1.4470 37.496   1.5668  39.346   2.1818  35.526   2.2514  70.676  1.9692 67.128  2.1394 3.548218       2.907728 
1 1 1 11 9  58 o 80.720  1.3786 51.205   1.7445  50.278   2.3821  52.277   2.5619  79.893  1.9020 81.443  2.0066 -1.550056      2.764725 
1 1 1 11 9  59 o 29.421  2.5908 6.9034   1.1827  7.8965   1.5008  5.2758   1.9213  31.374  3.0916 25.062  5.0644 6.311872       5.933465 
1 1 1 11 9  60 o 31.635  2.3839 7.9595   1.1736  9.7582   1.7977  6.6237   1.5493  34.824  3.3337 28.582  3.5329 6.242476       4.857443 
1 1 1 11 9  61 o 41.976  1.7142 13.882   1.1280  16.226   1.6472  11.812   1.5479  45.226  2.3312 38.513  2.5787 6.712326       3.476215 
1 1 1 11 9  62 o 42.763  1.7182 14.414   1.1519  16.640   1.7410  12.681   1.5361  45.756  2.4360 39.918  2.4667 5.837158       3.466802 
1 1 1 11 9  63 o 25.054  2.5964 5.0400   1.0050  6.6506   1.4030  3.3429   1.4402  28.666  3.1754 19.826  4.7045 8.840496       5.675847 
1 1 1 11 9  64 o 31.448  1.9784 7.8508   0.9704  7.1282   1.3749  8.5680   1.3697  29.715  2.9922 32.687  2.6971 -2.972403      4.028381 
1 1 1 11 9  65 o 26.039  2.5864 5.4532   1.0418  6.1356   1.2384  3.8009   1.9269  27.545  2.9120 20.832  5.7241 6.713745       6.422220 
1 1 1 11 9  66 o 39.209  2.3288 12.269   1.4250  12.510   1.9155  11.972   2.1323  39.311  3.1344 38.260  3.5972 1.050934       4.771194 
1 1 1 11 9  67 o 20.100  3.9597 3.4151   1.2033  3.3106   1.7501  3.5088   1.6573  19.393  5.5019 19.995  5.2280 -0.6023674     7.589703 
1 1 1 11 9  68 o 29.661  2.7094 7.1112   1.2459  6.7767   1.7769  7.4346   1.7473  28.404  4.1100 29.906  3.8139 -1.501541      5.606983 
1 1 1 11 9  69 o 52.522  1.8657 21.877   1.5362  23.268   2.2148  20.587   2.1325  53.860  2.6231 50.562  2.7002 3.298378       3.764499 
1 1 1 11 9  70 o 50.751  2.0283 20.485   1.6138  21.360   2.0522  19.068   2.6122  51.614  2.5363 48.182  3.4818 3.431946       4.307624 
1 1 1 11 9  71 o 41.871  2.1866 14.022   1.4303  15.076   2.1326  13.160   1.9282  42.947  3.1903 40.165  3.0860 2.781750       4.438614 
1 1 1 11 9  72 o 18.276  4.4214 2.9170   1.2530  3.6151   2.0206  2.4809   1.5972  19.866  5.9904 16.827  5.3683 3.039789       8.043812 
1 1 1 11 9  73 o 18.648  4.4877 3.0533   1.2961  6.2350   2.7084  2.1083   1.4760  25.506  6.6904 15.666  5.1731 9.840246       8.457079 
1 1 1 11 9  74 o 23.837  4.1951 4.9014   1.5104  4.6846   2.2756  5.0722   2.0194  22.214  6.2639 23.511  5.5652 -1.297478      8.378975 
1 1 1 11 9  75 o 20.585  5.3026 3.8903   1.7216  -1.3476  3.5297  5.5254   1.9721  14.190  6.5923 24.644  5.2645 -10.45445      8.436458 
1 1 1 11 9  76 o 29.000  4.4736 7.3808   1.9683  5.1032   2.9631  9.1795   2.6333  22.197  7.3295 31.577  5.5206 -9.379114      9.176034 
1 1 1 11 9  77 o 13.048  5.4050 0.9070   1.8084  3.2690   2.9077  -0.5830  2.3094  18.486  7.1156 12.072  5.5065 6.414073       8.997423 
1 1 1 11 10 0  o 29.252  3.7561 7.0360   1.6445  7.0360   1.6445  7.0360   1.6445  29.252  3.7561 29.252  3.7561 0.000000       0.000000 
1 1 1 11 10 1  o 50.380  1.6765 19.901   1.3241  21.303   1.9075  18.596   1.8396  52.118  2.3346 48.693  2.4099 3.424942       3.355280 
1 1 1 11 10 2  f 86.504  1.3564 58.666   1.8394  60.635   2.6630  56.869   2.5436  87.935  1.9318 85.161  1.9053 2.774406       2.713238 
1 1 1 11 10 3  o 196.722 1.5319 303.416  4.7244  307.917  6.7542  299.104  6.6108  198.150 2.1743 195.295 2.1593 2.855682       3.064338 
1 1 1 11 10 4  o 199.183 1.5480 311.057  4.8338  317.087  6.9471  305.398  6.7302  201.078 2.2039 197.338 2.1755 3.739746       3.096754 
1 1 1 11 10 5  o 132.616 1.3456 137.881  2.7975  134.201  3.8958  141.799  4.0198  130.822 1.8996 134.474 1.9068 -3.652344      2.691526 
1 1 1 11 10 6  o 149.508 1.3809 175.243  3.2365  169.733  4.4995  181.151  4.6588  147.123 1.9509 151.991 1.9553 -4.867981      2.762069 
1 1 1 11 10 7  o 194.174 1.5304 295.607  4.6585  292.143  6.5326  299.191  6.6450  193.008 2.1590 195.322 2.1701 -2.313675      3.061180 
1 1 1 11 10 8  o 193.214 1.5977 292.700  4.8394  294.766  6.5770  290.260  7.1464  193.872 2.1640 192.375 2.3697 1.497467       3.209085 
1 1 1 11 10 9  o 101.982 1.6022 81.544   2.5615  73.776   4.0343  86.790   3.3155  96.979  2.6536 105.203 2.0103 -8.224052      3.329118 
1 1 1 11 10 10 o 52.231  1.6498 21.390   1.3509  22.562   1.9233  20.249   1.8978  53.635  2.2874 50.810  2.3826 2.824783       3.302868 
1 1 1 11 10 11 o 62.162  1.5036 30.296   1.4652  29.237   2.0676  31.364   2.0768  61.058  2.1601 63.240  2.0948 -2.182789      3.008986 
1 1 1 11 10 12 o 39.274  2.1124 12.131   1.2958  10.065   1.8905  13.963   1.7796  35.646  3.4252 42.101  2.7107 -6.455055      4.368084 
1 1 1 11 10 13 o 169.184 1.4363 224.411  3.8094  220.319  5.3238  228.705  5.4531  167.614 2.0261 170.774 2.0369 -3.159561      2.872975 
1 1 1 11 10 14 o 117.541 1.3238 108.315  2.4393  108.974  3.4591  107.664  3.4404  117.885 1.8718 117.175 1.8729 0.7107697      2.647894 
1 1 1 11 10 15 o 262.557 1.9152 540.582  7.8831  537.348  10.592  544.598  11.803  261.724 2.5814 263.460 2.8578 -1.736084      3.851108 
1 1 1 11 10 16 o 161.246 1.4223 203.849  3.5954  200.358  5.0517  207.433  5.1184  159.839 2.0160 162.638 2.0075 -2.798279      2.845073 
1 1 1 11 10 17 f 168.163 1.4387 221.716  3.7928  219.367  5.3143  224.155  5.4147  167.249 2.0269 169.064 2.0430 -1.814972      2.877875 
1 1 1 11 10 18 o 77.507  1.4005 47.099   1.7017  49.196   2.4436  45.125   2.3712  79.204  1.9680 75.855  1.9940 3.348938       2.801637 
1 1 1 11 10 19 o 157.698 1.4098 194.980  3.4853  193.116  4.8863  196.910  4.9727  156.923 1.9863 158.456 2.0018 -1.533463      2.820044 
1 1 1 11 10 20 f 149.231 1.3908 174.605  3.2536  173.542  4.5923  175.676  4.6105  148.757 1.9692 149.669 1.9650 -0.9119263     2.781908 
1 1 1 11 10 21 o 59.518  1.5903 27.776   1.4838  27.685   2.1064  27.866   2.0906  59.410  2.2616 59.605  2.2373 -0.1944275     3.181272 
1 1 1 11 10 22 o 241.795 1.7403 458.461  6.5967  456.833  9.3063  460.105  9.3522  241.314 2.4600 242.176 2.4634 -0.8623352     3.481374 
1 1 1 11 10 23 o 53.588  1.7000 22.519   1.4282  22.415   2.0152  22.624   2.0244  53.453  2.4048 53.702  2.4046 -0.2494011     3.400807 
1 1 1 11 10 24 o 17.475  4.3213 2.4955   1.1772  2.6413   1.6470  2.3431   1.6832  18.196  5.3906 17.400  5.5066 0.7963562      7.705908 
1 1 1 11 10 25 o 120.539 1.3660 113.922  2.5813  110.082  3.5769  118.096  3.7289  118.473 1.9259 122.710 1.9384 -4.236328      2.732503 
1 1 1 11 10 26 o 92.768  1.4599 67.479   2.1232  68.659   2.8592  66.029   3.1701  93.563  1.9493 91.745  2.2042 1.817719       2.942467 
1 1 1 11 10 27 o 184.133 1.6550 265.882  4.7773  266.289  6.7440  265.473  6.7684  184.231 2.3351 183.947 2.3471 0.2834167      3.310845 
1 1 1 11 10 28 o 164.972 1.5172 213.414  3.9238  219.029  5.4041  207.153  5.7064  167.099 2.0630 162.494 2.2401 4.604538       3.045326 
1 1 1 11 10 29 o 144.242 1.5357 163.156  3.4726  163.727  4.9397  162.598  4.8828  144.461 2.1812 143.964 2.1635 0.4976044      3.072200 
1 1 1 11 10 30 o 323.244 2.3502 819.916  11.909  813.061  15.240  830.669  19.087  321.773 3.0212 325.078 3.7454 -3.305145      4.812033 
1 1 1 11 10 31 o 57.629  1.9455 26.053   1.7576  24.230   2.3416  28.405   2.6600  55.556  2.6886 60.147  2.8211 -4.591450      3.897076 
1 1 1 11 10 32 o 72.968  1.8271 41.766   2.0900  41.565   2.9875  41.958   2.9249  72.763  2.6191 73.108  2.5521 -0.3459549     3.656890 
1 1 1 11 10 33 o 62.019  2.1652 30.184   2.1051  29.450   2.9686  30.927   2.9856  61.143  3.1072 62.742  3.0355 -1.598610      4.343854 
1 1 1 11 10 34 o 35.679  3.1673 10.084   1.7532  9.8015   2.4967  10.359   2.4623  34.953  4.6736 35.984  4.4605 -1.031204      6.460563 
1 1 1 11 10 35 o 79.097  1.9860 49.098   2.4626  51.598   3.5058  46.663   3.4599  81.041  2.7595 77.062  2.8640 3.979866       3.977048 
1 1 1 11 10 36 f 77.139  1.9900 46.703   2.4065  49.587   3.4840  44.072   3.3279  79.434  2.7978 74.884  2.8348 4.549599       3.982951 
1 1 1 11 10 37 o 118.884 1.6286 110.890  3.0352  114.131  4.3580  107.836  4.2296  120.550 2.3061 117.179 2.3025 3.371094       3.258742 
1 1 1 11 10 38 o 117.175 1.4148 107.707  2.5988  108.409  3.5293  106.877  3.8409  117.516 1.9158 116.665 2.1001 0.8508530      2.842605 
1 1 1 11 10 39 o 78.369  1.5384 48.192   1.8901  50.416   2.4852  45.141   2.9109  80.129  1.9784 75.786  2.4501 4.342995       3.149150 
1 1 1 11 10 40 o 137.926 1.5942 149.298  3.4469  145.937  4.5684  153.740  5.2522  136.297 2.1381 139.853 2.3956 -3.556366      3.210970 
1 1 1 11 10 41 o 99.195  1.4674 77.215   2.2819  74.982   3.1622  79.641   3.2962  97.695  2.0647 100.682 2.0884 -2.987251      2.936759 
1 1 1 11 10 42 o 56.453  1.7159 25.023   1.5186  26.019   2.1897  24.101   2.1078  57.517  2.4285 55.355  2.4289 2.161186       3.434750 
1 1 1 11 10 43 o 60.946  1.7000 29.168   1.6242  29.380   2.4190  28.993   2.1918  61.101  2.5254 60.718  2.3027 0.3827057      3.417612 
1 1 1 11 10 44 o 132.763 1.6400 138.410  3.4132  142.298  4.9057  134.761  4.7520  134.492 2.3268 130.884 2.3160 3.608078       3.282917 
1 1 1 11 10 45 o 32.610  2.4544 8.4182   1.2455  7.7240   1.8374  9.0085   1.6942  30.993  3.8658 33.619  3.2553 -2.626545      5.053795 
1 1 1 11 10 46 o 45.179  2.3849 16.113   1.6831  17.672   2.2328  14.063   2.5616  47.220  3.0323 41.928  3.9435 5.291813       4.974542 
1 1 1 11 10 47 o 8.7647  3.9645 -0.6333  1.1663  -0.1486  1.5408  -1.2838  1.7850  11.149  4.8170 10.399  4.7799 0.7491474      6.786106 
1 1 1 11 10 48 o 21.758  3.5067 3.8422   1.1555  3.8410   1.4774  3.8439   1.8542  21.558  4.5161 21.462  5.4893 0.9665298E-01  7.108293 
1 1 1 11 10 49 o 52.821  1.8700 21.939   1.5485  21.566   2.0890  22.395   2.3069  52.297  2.5480 53.193  2.7761 -0.8956909     3.768144 
1 1 1 11 10 50 o 38.667  2.1785 11.810   1.3152  13.459   1.9116  10.327   1.8122  41.156  2.9831 35.972  3.2487 5.183861       4.410516 
1 1 1 11 10 51 o 52.155  1.8120 21.393   1.4815  22.919   2.1327  19.969   2.0596  53.900  2.5240 50.232  2.6245 3.668060       3.641251 
1 1 1 11 10 52 o 53.349  1.7855 22.384   1.4933  23.395   2.4318  21.773   1.8920  54.321  2.8658 52.556  2.2964 1.764290       3.672372 
1 1 1 11 10 53 o 10.499  4.2356 0.4062   1.0749  0.5214   1.6707  0.3248   1.4041  12.796  5.2366 11.518  4.7662 1.278442       7.080896 
1 1 1 11 10 54 o 60.389  1.5944 28.672   1.5094  29.401   2.2950  28.116   2.0037  61.035  2.3985 59.728  2.1399 1.307400       3.214384 
1 1 1 11 10 55 o 69.868  1.4234 38.362   1.5590  36.584   2.1860  40.203   2.2240  68.136  2.0466 71.437  1.9859 -3.301056      2.851712 
1 1 1 11 10 56 o 54.942  1.5644 23.740   1.3474  24.537   1.9185  22.964   1.8928  55.767  2.1945 53.943  2.2382 1.824409       3.134570 
1 1 1 11 10 57 o 26.316  2.6132 5.5349   1.0638  4.7766   1.4744  6.3581   1.5363  24.093  4.0473 28.003  3.5817 -3.910723      5.404572 
1 1 1 11 10 58 o 58.224  1.5228 26.670   1.3899  27.628   2.0011  25.778   1.9320  59.151  2.1580 57.136  2.1570 2.015530       3.051183 
1 1 1 11 10 59 o 65.903  1.4543 34.168   1.5025  35.237   2.1781  33.198   2.0753  66.800  2.0799 64.846  2.0414 1.953354       2.914348 
1 1 1 11 10 60 o 50.441  1.7027 20.052   1.3464  17.596   1.8101  23.094   2.0146  47.051  2.4626 53.994  2.3801 -6.943172      3.424762 
1 1 1 11 10 61 f 73.651  1.3897 42.687   1.6046  43.279   2.2890  42.115   2.2500  74.013  1.9728 73.013  1.9657 1.000069       2.784970 
1 1 1 11 10 62 o 29.414  2.9293 6.9753   1.3328  6.4301   1.9325  7.4699   1.8406  27.672  4.6173 30.105  3.9989 -2.432446      6.108229 
1 1 1 11 10 63 o 58.461  1.4929 26.935   1.3682  27.629   1.9752  26.294   1.8970  59.045  2.1340 57.610  2.1004 1.434830       2.994260 
1 1 1 11 10 64 f 37.953  1.8470 11.393   1.0989  11.357   1.5741  11.428   1.5349  37.614  2.6871 37.758  2.6092 -0.1439857     3.745470 
1 1 1 11 10 65 o 36.804  1.8652 10.751   1.0727  11.908   1.5764  9.7536   1.4637  38.509  2.6270 34.809  2.7036 3.699593       3.769715 
1 1 1 11 10 66 o 62.633  1.4700 30.958   1.4433  31.021   1.8199  30.852   2.3696  62.572  1.8553 62.162  2.4316 0.4093742      3.058541 
1 1 1 11 10 67 o 38.492  2.2950 11.859   1.3786  10.800   1.9532  12.909   1.9460  36.244  3.4805 39.816  3.1432 -3.572281      4.689737 
1 1 1 11 10 68 o 21.291  3.9190 3.8459   1.2598  3.0973   1.7502  4.6508   1.8149  18.640  5.5649 22.907  5.1758 -4.267265      7.599811 
1 1 1 11 10 69 o 33.646  2.7004 9.1670   1.4124  7.3003   1.9678  11.150   2.0283  29.211  4.4366 36.709  3.5698 -7.497164      5.694449 
1 1 1 11 10 70 f 10.335  4.4168 0.1361   1.2687  1.8778   1.8342  -1.4616  1.7568  15.499  5.7188 9.7342  4.5641 5.764729       7.316851 
1 1 1 11 10 71 o 35.759  2.7497 10.383   1.5296  8.1009   2.0027  13.577   2.3697  30.818  4.2592 40.320  3.7935 -9.502407      5.703642 
1 1 1 11 10 72 o 36.182  2.6746 10.625   1.5063  11.786   2.0271  9.1937   2.2510  37.691  3.4697 32.635  4.5213 5.055855       5.699217 
1 1 1 11 10 73 o 17.035  5.1195 2.6076   1.4776  3.1013   1.7260  1.2527   2.8592  18.392  5.5343 15.798  6.6864 2.593906       8.679643 
1 1 1 11 10 74 o 34.695  3.7261 10.169   1.9949  9.7986   2.6511  10.652   3.0289  32.888  5.3241 33.787  5.9351 -0.8988762     7.973133 
1 1 1 11 10 75 o 34.145  3.9076 9.9841   2.0540  6.7875   2.6440  14.849   3.2619  26.177  6.4780 40.412  5.2746 -14.23491      8.353835 
1 1 1 11 11 0  o 302.808 4.0705 719.430  19.315  719.430  19.315  719.430  19.315  302.808 4.0705 302.808 4.0705 0.000000       0.000000 
1 1 1 11 11 1  o 30.905  3.7956 7.8243   1.7646  7.8243   1.7646  7.8243   1.7646  30.905  3.7956 30.905  3.7956 0.000000       0.000000 
1 1 1 11 11 2  o 225.281 2.3636 398.061  8.3453  398.061  8.3453  398.061  8.3453  225.281 2.3636 225.281 2.3636 0.000000       0.000000 
1 1 1 11 11 3  o 243.010 2.4730 463.181  9.4190  463.181  9.4190  463.181  9.4190  243.010 2.4730 243.010 2.4730 0.000000       0.000000 
1 1 1 11 11 4  o 123.937 1.9329 120.511  3.7533  120.511  3.7533  120.511  3.7533  123.937 1.9329 123.937 1.9329 0.000000       0.000000 
1 1 1 11 11 5  o 93.584  1.9492 68.751   2.8568  68.751   2.8568  68.751   2.8568  93.584  1.9492 93.584  1.9492 0.000000       0.000000 
1 1 1 11 11 6  o 149.909 1.9915 176.280  4.6783  176.280  4.6783  176.280  4.6783  149.909 1.9915 149.909 1.9915 0.000000       0.000000 
1 1 1 11 11 7  o 204.125 2.2450 326.811  7.1819  326.811  7.1819  326.811  7.1819  204.125 2.2450 204.125 2.2450 0.000000       0.000000 
1 1 1 11 11 8  o 250.838 2.7612 493.578  10.855  493.578  10.855  493.578  10.855  250.838 2.7612 250.838 2.7612 0.000000       0.000000 
1 1 1 11 11 9  o 48.888  2.6258 18.903   1.9992  18.903   1.9992  18.903   1.9992  48.888  2.6258 48.888  2.6258 0.000000       0.000000 
1 1 1 11 11 10 o 48.897  2.6312 18.911   2.0036  18.911   2.0036  18.911   2.0036  48.897  2.6312 48.897  2.6312 0.000000       0.000000 
1 1 1 11 11 11 o 253.005 2.5389 502.086  10.068  502.086  10.068  502.086  10.068  253.005 2.5389 253.005 2.5389 0.000000       0.000000 
1 1 1 11 11 12 o 245.357 2.7412 472.259  10.541  472.259  10.541  472.259  10.541  245.357 2.7412 245.357 2.7412 0.000000       0.000000 
1 1 1 11 11 13 o 14.157  6.6693 2.3060   1.6684  2.3060   1.6684  2.3060   1.6684  14.157  6.6693 14.157  6.6693 0.000000       0.000000 
1 1 1 11 11 14 o 343.447 3.4700 925.553  18.679  925.553  18.679  925.553  18.679  343.447 3.4700 343.447 3.4700 0.000000       0.000000 
1 1 1 11 11 15 o 190.193 2.3929 283.778  7.1322  283.778  7.1322  283.778  7.1322  190.193 2.3929 190.193 2.3929 0.000000       0.000000 
1 1 1 11 11 16 o 290.531 2.7966 662.142  12.734  662.142  12.734  662.142  12.734  290.531 2.7966 290.531 2.7966 0.000000       0.000000 
1 1 1 11 11 17 o 89.415  2.1886 62.800   3.0637  62.800   3.0637  62.800   3.0637  89.415  2.1886 89.415  2.1886 0.000000       0.000000 
1 1 1 11 11 18 o 54.170  2.4559 23.151   2.0758  23.151   2.0758  23.151   2.0758  54.170  2.4559 54.170  2.4559 0.000000       0.000000 
1 1 1 11 11 19 f 192.975 2.1904 292.108  6.6245  292.108  6.6245  292.108  6.6245  192.975 2.1904 192.975 2.1904 0.000000       0.000000 
1 1 1 11 11 20 o 182.583 2.1434 261.500  6.1330  261.500  6.1330  261.500  6.1330  182.583 2.1434 182.583 2.1434 0.000000       0.000000 
1 1 1 11 11 21 o 61.694  2.2960 29.969   2.2136  29.969   2.2136  29.969   2.2136  61.694  2.2960 61.694  2.2960 0.000000       0.000000 
1 1 1 11 11 22 o 164.285 2.0642 211.724  5.3143  211.724  5.3143  211.724  5.3143  164.285 2.0642 164.285 2.0642 0.000000       0.000000 
1 1 1 11 11 23 o 40.720  2.9045 13.203   1.8324  13.203   1.8324  13.203   1.8324  40.720  2.9045 40.720  2.9045 0.000000       0.000000 
1 1 1 11 11 24 o 38.846  3.1437 12.069   1.8856  12.069   1.8856  12.069   1.8856  38.846  3.1437 38.846  3.1437 0.000000       0.000000 
1 1 1 11 11 25 o 153.768 2.0231 185.501  4.8750  185.501  4.8750  185.501  4.8750  153.768 2.0231 153.768 2.0231 0.000000       0.000000 
1 1 1 11 11 26 o 100.418 2.1121 79.179   3.3216  79.179   3.3216  79.179   3.3216  100.418 2.1121 100.418 2.1121 0.000000       0.000000 
1 1 1 11 11 27 o 71.235  2.5415 39.953   2.8299  39.953   2.8299  39.953   2.8299  71.235  2.5415 71.235  2.5415 0.000000       0.000000 
1 1 1 11 11 28 o 154.368 2.4743 187.053  5.9842  187.053  5.9842  187.053  5.9842  154.368 2.4743 154.368 2.4743 0.000000       0.000000 
1 1 1 11 11 29 o 290.745 3.4362 663.800  15.657  663.800  15.657  663.800  15.657  290.745 3.4362 290.745 3.4362 0.000000       0.000000 
1 1 1 11 11 30 o 198.364 3.1364 309.043  9.7476  309.043  9.7476  309.043  9.7476  198.364 3.1364 198.364 3.1364 0.000000       0.000000 
1 1 1 11 11 31 o 50.673  3.0893 20.376   2.4331  20.376   2.4331  20.376   2.4331  50.673  3.0893 50.673  3.0893 0.000000       0.000000 
1 1 1 11 11 32 o 110.916 2.3925 96.650   4.1556  96.650   4.1556  96.650   4.1556  110.916 2.3925 110.916 2.3925 0.000000       0.000000 
1 1 1 11 11 33 o 91.989  2.7277 66.586   3.9258  66.586   3.9258  66.586   3.9258  91.989  2.7277 91.989  2.7277 0.000000       0.000000 
1 1 1 11 11 34 o 24.008  6.9903 5.5578   2.2840  5.5578   2.2840  5.5578   2.2840  24.008  6.9903 24.008  6.9903 0.000000       0.000000 
1 1 1 11 11 35 o 85.095  2.7938 57.033   3.7179  57.033   3.7179  57.033   3.7179  85.095  2.7938 85.095  2.7938 0.000000       0.000000 
1 1 1 11 11 36 f 92.001  2.3642 66.560   3.4047  66.560   3.4047  66.560   3.4047  92.001  2.3642 92.001  2.3642 0.000000       0.000000 
1 1 1 11 11 37 o 11.261  6.4519 1.2825   1.8047  1.2825   1.8047  1.2825   1.8047  11.261  6.4519 11.261  6.4519 0.000000       0.000000 
1 1 1 11 11 38 o 7.7978  5.2384 -0.7290  1.8129  -0.7290  1.8129  -0.7290  1.8129  7.7978  5.2384 7.7978  5.2384 0.000000       0.000000 
1 1 1 11 11 39 o 22.947  7.3151 5.2633   2.3180  5.2633   2.3180  5.2633   2.3180  22.947  7.3151 22.947  7.3151 0.000000       0.000000 
1 1 1 11 11 40 o 47.001  2.9059 17.560   2.1223  17.560   2.1223  17.560   2.1223  47.001  2.9059 47.001  2.9059 0.000000       0.000000 
1 1 1 11 11 41 o 20.970  6.1449 4.2597   1.7548  4.2597   1.7548  4.2597   1.7548  20.970  6.1449 20.970  6.1449 0.000000       0.000000 
1 1 1 11 11 42 o 13.083  6.5528 2.0044   1.6446  2.0044   1.6446  2.0044   1.6446  13.083  6.5528 13.083  6.5528 0.000000       0.000000 
1 1 1 11 11 43 o 87.036  2.2014 59.608   2.9993  59.608   2.9993  59.608   2.9993  87.036  2.2014 87.036  2.2014 0.000000       0.000000 
1 1 1 11 11 44 o 37.201  2.9414 11.089   1.6907  11.089   1.6907  11.089   1.6907  37.201  2.9414 37.201  2.9414 0.000000       0.000000 
1 1 1 11 11 45 o 68.541  2.3815 37.053   2.5519  37.053   2.5519  37.053   2.5519  68.541  2.3815 68.541  2.3815 0.000000       0.000000 
1 1 1 11 11 46 o 38.059  2.8566 11.589   1.6823  11.589   1.6823  11.589   1.6823  38.059  2.8566 38.059  2.8566 0.000000       0.000000 
1 1 1 11 11 47 f 10.380  5.8109 1.1662   1.4191  1.1662   1.4191  1.1662   1.4191  10.380  5.8109 10.380  5.8109 0.000000       0.000000 
1 1 1 11 11 48 o 35.033  2.9864 9.8747   1.6127  9.8747   1.6127  9.8747   1.6127  35.033  2.9864 35.033  2.9864 0.000000       0.000000 
1 1 1 11 11 49 o 10.596  5.9134 1.2272   1.4644  1.2272   1.4644  1.2272   1.4644  10.596  5.9134 10.596  5.9134 0.000000       0.000000 
1 1 1 11 11 50 o 7.5327  4.9420 -0.2058  1.4625  -0.2058  1.4625  -0.2058  1.4625  7.5327  4.9420 7.5327  4.9420 0.000000       0.000000 
1 1 1 11 11 51 o 10.080  5.7884 1.0445   1.4577  1.0445   1.4577  1.0445   1.4577  10.080  5.7884 10.080  5.7884 0.000000       0.000000 
1 1 1 11 11 52 o 59.699  2.2077 28.146   2.0597  28.146   2.0597  28.146   2.0597  59.699  2.2077 59.699  2.2077 0.000000       0.000000 
1 1 1 11 11 53 o 56.956  2.3030 25.654   2.0486  25.654   2.0486  25.654   2.0486  56.956  2.3030 56.956  2.3030 0.000000       0.000000 
1 1 1 11 11 54 o 63.019  2.1354 31.353   2.1041  31.353   2.1041  31.353   2.1041  63.019  2.1354 63.019  2.1354 0.000000       0.000000 
1 1 1 11 11 55 f 7.5332  4.9110 -0.0990  1.4106  -0.0990  1.4106  -0.0990  1.4106  7.5332  4.9110 7.5332  4.9110 0.000000       0.000000 
1 1 1 11 11 56 o 40.818  3.0534 13.393   1.9287  13.393   1.9287  13.393   1.9287  40.818  3.0534 40.818  3.0534 0.000000       0.000000 
1 1 1 11 11 57 o 52.534  2.6298 21.952   2.1534  21.952   2.1534  21.952   2.1534  52.534  2.6298 52.534  2.6298 -0.000000      0.000000 
1 1 1 11 11 58 o 15.404  6.8209 2.7902   1.7360  2.7902   1.7360  2.7902   1.7360  15.404  6.8209 15.404  6.8209 0.000000       0.000000 
1 1 1 11 11 59 o 84.585  2.2065 56.544   2.9214  56.544   2.9214  56.544   2.9214  84.585  2.2065 84.585  2.2065 0.000000       0.000000 
1 1 1 11 11 60 o 49.500  2.5626 19.536   1.9764  19.536   1.9764  19.536   1.9764  49.500  2.5626 49.500  2.5626 0.000000       0.000000 
1 1 1 11 11 61 o 39.936  2.6914 12.809   1.6674  12.809   1.6674  12.809   1.6674  39.936  2.6914 39.936  2.6914 0.000000       0.000000 
1 1 1 11 11 62 o 46.041  2.6581 16.979   1.9039  16.979   1.9039  16.979   1.9039  46.041  2.6581 46.041  2.6581 0.000000       0.000000 
1 1 1 11 11 63 o 37.460  2.8884 11.364   1.6730  11.364   1.6730  11.364   1.6730  37.460  2.8884 37.460  2.8884 0.000000       0.000000 
1 1 1 11 11 64 o 52.772  2.7546 22.348   2.2647  22.348   2.2647  22.348   2.2647  52.772  2.7546 52.772  2.7546 0.000000       0.000000 
1 1 1 11 11 65 o 33.259  2.9775 9.0444   1.5238  9.0444   1.5238  9.0444   1.5238  33.259  2.9775 33.259  2.9775 0.000000       0.000000 
1 1 1 11 11 66 o 9.3542  5.4753 0.9391   1.3438  0.9391   1.3438  0.9391   1.3438  9.3542  5.4753 9.3542  5.4753 0.000000       0.000000 
1 1 1 11 11 67 o 23.008  4.1516 4.6842   1.3526  4.6842   1.3526  4.6842   1.3526  23.008  4.1516 23.008  4.1516 0.000000       0.000000 
1 1 1 11 11 68 o 7.8699  5.2944 -0.5090  1.8645  -0.5090  1.8645  -0.5090  1.8645  7.8699  5.2944 7.8699  5.2944 0.000000       0.000000 
1 1 1 11 11 69 o 35.549  3.8556 10.648   2.0846  10.648   2.0846  10.648   2.0846  35.549  3.8556 35.549  3.8556 0.000000       0.000000 
1 1 1 11 11 70 o 42.666  3.4365 15.042   2.2642  15.042   2.2642  15.042   2.2642  42.666  3.4365 42.666  3.4365 0.000000       0.000000 
1 1 1 11 11 71 o 36.543  3.8124 11.278   2.1296  11.278   2.1296  11.278   2.1296  36.543  3.8124 36.543  3.8124 0.000000       0.000000 
1 1 1 11 11 72 o 15.097  7.1805 3.0473   1.9388  3.0473   1.9388  3.0473   1.9388  15.097  7.1805 15.097  7.1805 0.000000       0.000000 
1 1 1 11 11 73 o 19.047  8.0788 4.7792   2.4455  4.7792   2.4455  4.7792   2.4455  19.047  8.0788 19.047  8.0788 0.000000       0.000000 
1 1 1 11 11 74 o 7.8342  5.4547 -1.4470  2.3991  -1.4470  2.3991  -1.4470  2.3991  7.8342  5.4547 7.8342  5.4547 0.000000       0.000000 
1 1 1 12 0  0  o 336.122 4.2795 886.083  22.542  886.083  22.542  886.083  22.542  336.122 4.2795 336.122 4.2795 0.000000       0.000000 
1 1 1 12 0  1  o 284.507 2.6407 634.685  11.776  634.685  11.776  634.685  11.776  284.507 2.6407 284.507 2.6407 0.000000       0.000000 
1 1 1 12 0  2  o 239.775 2.3261 450.796  8.7417  450.796  8.7417  450.796  8.7417  239.775 2.3261 239.775 2.3261 0.000000       0.000000 
1 1 1 12 0  3  o 463.057 4.0146 1681.40  29.138  1681.40  29.138  1681.40  29.138  463.057 4.0146 463.057 4.0146 0.000000       0.000000 
1 1 1 12 0  4  o 509.953 4.3838 2039.28  35.040  2039.28  35.040  2039.28  35.040  509.953 4.3838 509.953 4.3838 0.000000       0.000000 
1 1 1 12 0  5  o 470.575 4.0751 1736.45  30.057  1736.45  30.057  1736.45  30.057  470.575 4.0751 470.575 4.0751 0.000000       0.000000 
1 1 1 12 0  6  o 983.594 8.2501 7590.96  127.192 7590.96  127.192 7590.96  127.192 983.594 8.2501 983.594 8.2501 0.000000       0.000000 
1 1 1 12 0  7  o 852.657 7.1716 5703.37  95.846  5703.37  95.846  5703.37  95.846  852.657 7.1716 852.657 7.1716 0.000000       0.000000 
1 1 1 12 0  8  o 450.572 3.9163 1591.96  27.658  1591.96  27.658  1591.96  27.658  450.572 3.9163 450.572 3.9163 0.000000       0.000000 
1 1 1 12 0  9  o 8.0632  5.0654 0.2434   1.3381  0.2434   1.3381  0.2434   1.3381  8.0632  5.0654 8.0632  5.0654 0.000000       0.000000 
1 1 1 12 0  10 o 587.149 5.4867 2703.95  50.493  2703.95  50.493  2703.95  50.493  587.149 5.4867 587.149 5.4867 0.000000       0.000000 
1 1 1 12 0  11 o 385.394 3.7301 1164.75  22.531  1164.75  22.531  1164.75  22.531  385.394 3.7301 385.394 3.7301 0.000000       0.000000 
1 1 1 12 0  12 o 878.588 8.0926 6057.28  111.441 6057.28  111.441 6057.28  111.441 878.588 8.0926 878.588 8.0926 0.000000       0.000000 
1 1 1 12 0  13 o 246.385 2.5994 476.032  10.038  476.032  10.038  476.032  10.038  246.385 2.5994 246.385 2.5994 0.000000       0.000000 
1 1 1 12 0  14 o 856.908 8.8372 5763.72  118.685 5763.72  118.685 5763.72  118.685 856.908 8.8372 856.908 8.8372 0.000000       0.000000 
1 1 1 12 0  15 o 620.477 5.7854 3019.94  56.263  3019.94  56.263  3019.94  56.263  620.477 5.7854 620.477 5.7854 0.000000       0.000000 
1 1 1 12 0  16 o 156.367 2.0002 191.759  4.9013  191.759  4.9013  191.759  4.9013  156.367 2.0002 156.367 2.0002 0.000000       0.000000 
1 1 1 12 0  17 o 170.792 2.3289 228.790  6.2330  228.790  6.2330  228.790  6.2330  170.792 2.3289 170.792 2.3289 0.000000       0.000000 
1 1 1 12 0  18 o 241.936 2.5644 459.004  9.7236  459.004  9.7236  459.004  9.7236  241.936 2.5644 241.936 2.5644 0.000000       0.000000 
1 1 1 12 0  19 o 634.687 5.9150 3160.25  58.842  3160.25  58.842  3160.25  58.842  634.687 5.9150 634.687 5.9150 0.000000       0.000000 
1 1 1 12 0  20 o 179.629 2.1278 253.043  5.9900  253.043  5.9900  253.043  5.9900  179.629 2.1278 179.629 2.1278 0.000000       0.000000 
1 1 1 12 0  21 o 41.996  2.4358 13.965   1.5913  13.965   1.5913  13.965   1.5913  41.996  2.4358 41.996  2.4358 0.000000       0.000000 
1 1 1 12 0  22 o 212.478 2.6327 354.093  8.7665  354.093  8.7665  354.093  8.7665  212.478 2.6327 212.478 2.6327 0.000000       0.000000 
1 1 1 12 0  23 o 341.286 3.3602 913.490  17.974  913.490  17.974  913.490  17.974  341.286 3.3602 341.286 3.3602 0.000000       0.000000 
1 1 1 12 0  24 o 540.451 5.0767 2291.60  43.003  2291.60  43.003  2291.60  43.003  540.451 5.0767 540.451 5.0767 0.000000       0.000000 
1 1 1 12 0  25 o 57.372  1.9468 25.892   1.7464  25.892   1.7464  25.892   1.7464  57.372  1.9468 57.372  1.9468 0.000000       0.000000 
1 1 1 12 0  26 o 130.084 1.8527 132.734  3.7765  132.734  3.7765  132.734  3.7765  130.084 1.8527 130.084 1.8527 0.000000       0.000000 
1 1 1 12 0  27 o 61.557  2.0954 29.809   2.0167  29.809   2.0167  29.809   2.0167  61.557  2.0954 61.557  2.0954 0.000000       0.000000 
1 1 1 12 0  28 o 445.475 4.2485 1556.92  29.664  1556.92  29.664  1556.92  29.664  445.475 4.2485 445.475 4.2485 0.000000       0.000000 
1 1 1 12 0  29 o 49.105  2.1484 19.012   1.6466  19.012   1.6466  19.012   1.6466  49.105  2.1484 49.105  2.1484 0.000000       0.000000 
1 1 1 12 0  30 o 86.606  1.9594 58.892   2.6572  58.892   2.6572  58.892   2.6572  86.606  1.9594 86.606  1.9594 0.000000       0.000000 
1 1 1 12 0  31 o 63.089  2.0641 31.304   2.0366  31.304   2.0366  31.304   2.0366  63.089  2.0641 63.089  2.0641 0.000000       0.000000 
1 1 1 12 0  32 o 34.935  3.7403 9.8968   1.9892  9.8968   1.9892  9.8968   1.9892  34.935  3.7403 34.935  3.7403 0.000000       0.000000 
1 1 1 12 0  33 o 133.158 2.3026 139.141  4.8033  139.141  4.8033  139.141  4.8033  133.158 2.3026 133.158 2.3026 0.000000       0.000000 
1 1 1 12 0  34 o 180.696 2.6699 256.185  7.5592  256.185  7.5592  256.185  7.5592  180.696 2.6699 180.696 2.6699 0.000000       0.000000 
1 1 1 12 0  35 o 7.4277  4.9239 -0.4080  1.5121  -0.4080  1.5121  -0.4080  1.5121  7.4277  4.9239 7.4277  4.9239 0.000000       0.000000 
1 1 1 12 0  36 o 262.420 3.4876 540.408  14.342  540.408  14.342  540.408  14.342  262.420 3.4876 262.420 3.4876 0.000000       0.000000 
1 1 1 12 0  37 o 56.303  2.6717 25.025   2.3461  25.025   2.3461  25.025   2.3461  56.303  2.6717 56.303  2.6717 0.000000       0.000000 
1 1 1 12 0  38 o 268.013 3.5569 563.739  14.938  563.739  14.938  563.739  14.938  268.013 3.5569 268.013 3.5569 0.000000       0.000000 
1 1 1 12 0  39 o 196.564 2.9988 303.228  9.2358  303.228  9.2358  303.228  9.2358  196.564 2.9988 196.564 2.9988 0.000000       0.000000 
1 1 1 12 0  40 o 233.267 2.8487 426.923  10.414  426.923  10.414  426.923  10.414  233.267 2.8487 233.267 2.8487 0.000000       0.000000 
1 1 1 12 0  41 o 105.158 1.9548 86.790   3.2200  86.790   3.2200  86.790   3.2200  105.158 1.9548 105.158 1.9548 0.000000       0.000000 
1 1 1 12 0  42 o 21.615  4.5804 4.1229   1.3650  4.1229   1.3650  4.1229   1.3650  21.615  4.5804 21.615  4.5804 0.000000       0.000000 
1 1 1 12 0  43 f 197.317 1.9259 305.353  5.9559  305.353  5.9559  305.353  5.9559  197.317 1.9259 197.317 1.9259 0.000000       0.000000 
1 1 1 12 0  44 o 120.634 1.5949 114.152  3.0149  114.152  3.0149  114.152  3.0149  120.634 1.5949 120.634 1.5949 0.000000       0.000000 
1 1 1 12 0  45 o 174.702 1.8066 239.383  4.9466  239.383  4.9466  239.383  4.9466  174.702 1.8066 174.702 1.8066 0.000000       0.000000 
1 1 1 12 0  46 o 157.967 1.7239 195.725  4.2679  195.725  4.2679  195.725  4.2679  157.967 1.7239 157.967 1.7239 0.000000       0.000000 
1 1 1 12 0  47 o 10.494  6.1056 1.0420   1.6552  1.0420   1.6552  1.0420   1.6552  10.494  6.1056 10.494  6.1056 0.000000       0.000000 
1 1 1 12 0  48 o 30.434  3.9752 7.6376   1.8070  7.6376   1.8070  7.6376   1.8070  30.434  3.9752 30.434  3.9752 0.000000       0.000000 
1 1 1 12 0  49 o 312.255 3.1940 765.726  15.631  765.726  15.631  765.726  15.631  312.255 3.1940 312.255 3.1940 0.000000       0.000000 
1 1 1 12 0  50 f 11.536  5.9069 1.5361   1.3535  1.5361   1.3535  1.5361   1.3535  11.536  5.9069 11.536  5.9069 0.000000       0.000000 
1 1 1 12 0  51 o 11.983  5.8229 1.6659   1.2826  1.6659   1.2826  1.6659   1.2826  11.983  5.8229 11.983  5.8229 0.000000       0.000000 
1 1 1 12 0  52 f 56.019  1.9296 24.707   1.6900  24.707   1.6900  24.707   1.6900  56.019  1.9296 56.019  1.9296 0.000000       0.000000 
1 1 1 12 0  53 o 34.766  3.1171 9.7245   1.6675  9.7245   1.6675  9.7245   1.6675  34.766  3.1171 34.766  3.1171 0.000000       0.000000 
1 1 1 12 0  54 f 57.711  1.6795 26.195   1.5166  26.195   1.5166  26.195   1.5166  57.711  1.6795 57.711  1.6795 0.000000       0.000000 
1 1 1 12 0  55 o 16.595  4.7254 2.6341   1.0652  2.6341   1.0652  2.6341   1.0652  16.595  4.7254 16.595  4.7254 0.000000       0.000000 
1 1 1 12 0  56 o 93.169  1.5131 68.153   2.2086  68.153   2.2086  68.153   2.2086  93.169  1.5131 93.169  1.5131 0.000000       0.000000 
1 1 1 12 0  57 o 8.4563  4.8005 0.7396   0.9868  0.7396   0.9868  0.7396   0.9868  8.4563  4.8005 8.4563  4.8005 0.000000       0.000000 
1 1 1 12 0  58 o 82.808  1.7248 53.892   2.2368  53.892   2.2368  53.892   2.2368  82.808  1.7248 82.808  1.7248 0.000000       0.000000 
1 1 1 12 0  59 o 56.451  1.5831 25.069   1.3985  25.069   1.3985  25.069   1.3985  56.451  1.5831 56.451  1.5831 0.000000       0.000000 
1 1 1 12 0  60 o 16.738  4.0458 2.5596   0.9203  2.5596   0.9203  2.5596   0.9203  16.738  4.0458 16.738  4.0458 0.000000       0.000000 
1 1 1 12 0  61 o 79.295  1.4452 49.394   1.7952  49.394   1.7952  49.394   1.7952  79.295  1.4452 79.295  1.4452 0.000000       0.000000 
1 1 1 12 0  62 o 37.953  3.0895 11.578   1.8101  11.578   1.8101  11.578   1.8101  37.953  3.0895 37.953  3.0895 0.000000       0.000000 
1 1 1 12 0  63 o 6.8306  4.7274 -1.3786  1.7326  -1.3786  1.7326  -1.3786  1.7326  6.8306  4.7274 6.8306  4.7274 0.000000       0.000000 
1 1 1 12 0  64 o 26.551  4.6026 6.0700   1.7432  6.0700   1.7432  6.0700   1.7432  26.551  4.6026 26.551  4.6026 0.000000       0.000000 
1 1 1 12 0  65 o 29.271  4.1116 7.1826   1.7798  7.1826   1.7798  7.1826   1.7798  29.271  4.1116 29.271  4.1116 0.000000       0.000000 
1 1 1 12 0  66 o 80.204  2.2787 50.772   2.8598  50.772   2.8598  50.772   2.8598  80.204  2.2787 80.204  2.2787 0.000000       0.000000 
1 1 1 12 0  67 o 45.268  2.8745 16.382   2.0210  16.382   2.0210  16.382   2.0210  45.268  2.8745 45.268  2.8745 0.000000       0.000000 
1 1 1 12 0  68 f 20.293  5.9412 4.0480   1.6416  4.0480   1.6416  4.0480   1.6416  20.293  5.9412 20.293  5.9412 0.000000       0.000000 
1 1 1 12 0  69 o 49.919  2.6951 19.871   2.0950  19.871   2.0950  19.871   2.0950  49.919  2.6951 49.919  2.6951 0.000000       0.000000 
1 1 1 12 0  70 o 39.538  2.6027 12.521   1.5972  12.521   1.5972  12.521   1.5972  39.538  2.6027 39.538  2.6027 0.000000       0.000000 
1 1 1 12 0  71 o 34.021  2.9079 9.3810   1.5248  9.3810   1.5248  9.3810   1.5248  34.021  2.9079 34.021  2.9079 0.000000       0.000000 
1 1 1 12 0  72 f 56.586  2.1865 25.411   1.9331  25.411   1.9331  25.411   1.9331  56.586  2.1865 56.586  2.1865 0.000000       0.000000 
1 1 1 12 0  73 o 34.232  4.6501 10.019   2.3654  10.019   2.3654  10.019   2.3654  34.232  4.6501 34.232  4.6501 0.000000       0.000000 
1 1 1 12 0  74 o 49.814  2.6344 19.894   2.0441  19.894   2.0441  19.894   2.0441  49.814  2.6344 49.814  2.6344 0.000000       0.000000 
1 1 1 12 0  75 o 10.429  5.6352 1.3258   1.2848  1.3258   1.2848  1.3258   1.2848  10.429  5.6352 10.429  5.6352 0.000000       0.000000 
1 1 1 12 0  76 o 6.2926  4.2579 -0.5036  1.2395  -0.5036  1.2395  -0.5036  1.2395  6.2926  4.2579 6.2926  4.2579 0.000000       0.000000 
1 1 1 12 0  77 o 24.049  3.7634 5.0013   1.3152  5.0013   1.3152  5.0013   1.3152  24.049  3.7634 24.049  3.7634 0.000000       0.000000 
1 1 1 12 0  78 o 9.2465  5.1639 1.0152   1.1177  1.0152   1.1177  1.0152   1.1177  9.2465  5.1639 9.2465  5.1639 0.000000       0.000000 
1 1 1 12 0  79 o 13.060  7.2052 2.2804   2.1462  2.2804   2.1462  2.2804   2.1462  13.060  7.2052 13.060  7.2052 0.000000       0.000000 
1 1 1 12 0  80 o 23.405  7.0180 5.8286   2.2435  5.8286   2.2435  5.8286   2.2435  23.405  7.0180 23.405  7.0180 0.000000       0.000000 
1 1 1 12 0  81 o 7.7812  5.5201 -2.8710  2.8354  -2.8710  2.8354  -2.8710  2.8354  7.7812  5.5201 7.7812  5.5201 0.000000       0.000000 
1 1 1 12 0  82 o 7.4076  5.2973 -3.3697  2.8136  -3.3697  2.8136  -3.3697  2.8136  7.4076  5.2973 7.4076  5.2973 0.000000       0.000000 
1 1 1 12 0  83 o 28.245  8.2944 9.1460   3.1909  9.1460   3.1909  9.1460   3.1909  28.245  8.2944 28.245  8.2944 0.000000       0.000000 
1 1 1 12 1  0  o 211.236 2.3596 349.906  7.8114  349.906  7.8114  349.906  7.8114  211.236 2.3596 211.236 2.3596 0.000000       0.000000 
1 1 1 12 1  1  o 139.554 1.3691 152.661  2.9953  156.947  4.3136  148.670  4.1625  141.496 1.9447 137.714 1.9281 3.781540       2.738451 
1 1 1 12 1  2  o 147.367 1.3315 170.234  3.0761  176.993  4.2671  162.920  4.4385  150.262 1.8115 144.163 1.9640 6.098679       2.671810 
1 1 1 12 1  3  o 345.006 2.2911 933.117  12.391  946.786  17.006  917.646  18.092  347.503 3.1217 342.107 3.3734 5.396637       4.596227 
1 1 1 12 1  4  o 841.643 5.2389 5556.39  69.123  5536.64  93.307  5580.41  102.906 839.896 7.0866 843.094 7.7859 -3.198669      10.52805 
1 1 1 12 1  5  o 521.422 3.3117 2131.71  27.071  2111.14  36.281  2157.54  40.659  518.839 4.4607 524.479 4.9451 -5.639648      6.659664 
1 1 1 12 1  6  o 549.903 3.4813 2371.02  30.011  2356.71  40.347  2388.74  44.901  548.168 4.6951 551.845 5.1902 -3.676453      6.998686 
1 1 1 12 1  7  o 442.870 2.9896 1537.74  20.756  1582.67  27.576  1479.01  31.525  449.255 3.9155 434.258 4.6308 14.99661       6.064258 
1 1 1 12 1  8  o 249.309 1.7771 487.233  6.9456  476.445  9.2073  501.479  10.580  246.525 2.3824 252.913 2.6685 -6.388687      3.577281 
1 1 1 12 1  9  o 249.957 1.7768 489.769  6.9623  489.116  9.4168  490.557  10.340  249.781 2.4049 250.144 2.6369 -0.3636780     3.568802 
1 1 1 12 1  10 o 563.018 3.5580 2485.57  31.404  2456.95  42.016  2521.79  47.270  559.686 4.7887 566.980 5.3182 -7.294067      7.156435 
1 1 1 12 1  11 o 160.335 1.4394 201.515  3.6181  201.104  5.0891  201.936  5.1448  160.167 2.0268 160.497 2.0448 -0.3308258     2.879096 
1 1 1 12 1  12 o 417.553 2.7029 1366.92  17.693  1375.05  24.091  1357.40  26.067  418.754 3.6699 416.044 3.9967 2.710358       5.426017 
1 1 1 12 1  13 o 250.273 1.8689 491.021  7.3325  490.327  9.4467  492.072  11.630  250.087 2.4096 250.521 2.9612 -0.4332123     3.817678 
1 1 1 12 1  14 o 673.855 4.2200 3561.25  44.579  3556.36  60.269  3567.15  66.241  673.234 5.7105 674.183 6.2675 -0.9493408     8.478894 
1 1 1 12 1  15 o 139.491 1.3043 152.525  2.8521  153.426  3.8631  151.446  4.2286  139.899 1.7614 138.992 1.9407 0.9074249      2.620862 
1 1 1 12 1  16 o 433.759 2.7980 1475.15  19.026  1470.54  25.689  1480.75  28.316  433.032 3.7842 434.510 4.1570 -1.478516      5.621504 
1 1 1 12 1  17 o 246.234 1.8448 475.306  7.1213  465.300  9.0167  491.894  11.610  243.619 2.3609 250.470 2.9568 -6.850784      3.783718 
1 1 1 12 1  18 o 341.779 2.2736 915.800  12.182  919.809  16.581  911.098  17.958  342.498 3.0881 340.861 3.3606 1.636963       4.563992 
1 1 1 12 1  19 o 165.681 1.3860 215.180  3.5999  210.068  4.7915  221.805  5.4546  163.696 1.8672 168.204 2.0686 -4.508255      2.786648 
1 1 1 12 1  20 o 79.345  1.2444 49.350   1.5479  48.902   2.1004  49.884   2.2900  78.981  1.6964 79.769  1.8312 -0.7884750     2.496238 
1 1 1 12 1  21 o 157.719 1.3515 194.999  3.3416  189.347  4.4195  202.543  5.1060  155.412 1.8140 160.733 2.0264 -5.321304      2.719708 
1 1 1 12 1  22 o 190.028 1.5641 283.083  4.6596  276.057  5.8670  295.084  7.6679  187.648 1.9944 193.995 2.5213 -6.347565      3.214811 
1 1 1 12 1  23 o 100.821 1.2052 79.681   1.9049  77.635   2.5543  82.245   2.8591  99.514  1.6373 102.425 1.7806 -2.910378      2.418997 
1 1 1 12 1  24 o 294.164 2.1019 678.448  9.6930  678.262  13.684  678.636  13.732  294.086 2.9681 294.167 2.9778 -0.8065796E-01 4.204394 
1 1 1 12 1  25 o 194.551 1.6580 296.734  5.0567  301.734  6.8647  290.802  7.4768  196.170 2.2322 192.576 2.4766 3.593414       3.334129 
1 1 1 12 1  26 o 347.244 2.5429 945.545  13.842  947.797  18.631  942.770  20.682  347.596 3.4190 346.641 3.8059 0.9555664      5.116112 
1 1 1 12 1  27 f 208.062 1.8186 339.400  5.9319  341.715  8.3853  337.081  8.3925  208.745 2.5624 207.324 2.5822 1.420914       3.637810 
1 1 1 12 1  28 o 187.620 1.7087 275.979  5.0257  275.899  6.4027  276.107  8.1116  187.580 2.1773 187.631 2.7577 -0.5073547E-01 3.513648 
1 1 1 12 1  29 o 305.536 2.5708 732.107  12.313  722.411  16.106  745.749  19.103  303.448 3.3856 308.260 3.9531 -4.812012      5.204762 
1 1 1 12 1  30 o 228.877 1.9354 410.737  6.9441  409.482  8.7982  412.809  11.309  228.506 2.4561 229.395 3.1447 -0.8897095     3.990161 
1 1 1 12 1  31 o 122.220 1.3433 117.106  2.5738  120.689  3.5246  113.012  3.7675  124.068 1.8121 120.053 2.0018 4.014786       2.700197 
1 1 1 12 1  32 o 138.642 1.3922 150.691  3.0259  152.037  4.1037  149.087  4.4796  139.250 1.8799 137.888 2.0723 1.362198       2.797930 
1 1 1 12 1  33 o 156.086 1.4644 191.001  3.5833  187.159  4.7349  196.150  5.4816  154.496 1.9550 158.156 2.2109 -3.659561      2.951291 
1 1 1 12 1  34 o 333.087 2.3281 870.082  12.157  875.953  17.269  864.314  17.116  334.123 3.2969 331.896 3.2896 2.226440       4.657404 
1 1 1 12 1  35 o 103.512 1.1850 83.997   1.9229  81.572   2.6562  86.667   2.7873  102.000 1.6611 105.137 1.6911 -3.137032      2.370514 
1 1 1 12 1  36 o 160.894 1.3192 202.946  3.3273  202.756  4.6684  203.143  4.7437  160.805 1.8519 160.958 1.8800 -0.1524048     2.638876 
1 1 1 12 1  37 o 207.923 1.5132 338.948  4.9324  343.051  7.0036  334.910  6.9476  209.153 2.1360 206.655 2.1445 2.497177       3.026814 
1 1 1 12 1  38 o 181.019 1.4023 256.902  3.9795  252.109  5.5091  262.131  5.7547  179.304 1.9599 182.831 2.0078 -3.527527      2.805810 
1 1 1 12 1  39 o 72.539  1.3466 41.253   1.5314  38.051   2.1968  44.280   2.1358  69.658  2.0117 75.147  1.8130 -5.488571      2.708154 
1 1 1 12 1  40 o 248.325 1.7859 483.543  6.9522  492.665  10.444  476.285  9.3162  250.597 2.6585 246.415 2.4117 4.182190       3.589405 
1 1 1 12 1  41 o 267.512 2.0996 561.255  8.8050  548.977  11.465  578.906  13.747  264.514 2.7649 271.580 3.2290 -7.065582      4.251012 
1 1 1 12 1  42 o 186.777 1.6852 273.552  4.9345  279.283  6.6044  266.311  7.4241  188.695 2.2326 184.239 2.5704 4.455124       3.404670 
1 1 1 12 1  43 o 81.459  1.5242 52.030   1.9464  53.293   2.5386  50.228   3.0316  82.432  1.9645 80.015  2.4169 2.417870       3.114561 
1 1 1 12 1  44 f 248.962 1.9017 486.123  7.4223  485.240  10.515  487.000  10.478  248.661 2.6974 249.113 2.6831 -0.4522552     3.804654 
1 1 1 12 1  45 f 114.695 1.3053 103.144  2.3470  102.310  3.5778  103.774  3.1094  114.206 1.9984 115.032 1.7243 -0.8252716     2.639446 
1 1 1 12 1  46 o 157.724 1.4038 195.070  3.4711  201.909  5.3700  190.162  4.5493  160.423 2.1353 155.704 1.8637 4.719650       2.834237 
1 1 1 12 1  47 o 45.174  1.6902 16.006   1.1969  13.773   1.8938  17.491   1.5446  41.778  2.9096 47.215  2.0868 -5.437122      3.580598 
1 1 1 12 1  48 o 159.220 1.4039 198.809  3.5043  201.340  5.3675  196.930  4.6263  160.176 2.1376 158.435 1.8627 1.741653       2.835265 
1 1 1 12 1  49 o 173.378 1.4718 235.768  4.0004  240.222  5.4882  230.720  5.8432  174.960 2.0009 171.447 2.1741 3.513290       2.954696 
1 1 1 12 1  50 o 80.735  1.3239 51.121   1.6756  51.494   2.5908  50.853   2.1969  80.996  2.0404 80.506  1.7407 0.4902954      2.681995 
1 1 1 12 1  51 o 61.366  1.5447 29.544   1.4861  28.828   2.1248  30.230   2.0792  60.588  2.2370 62.048  2.1375 -1.460026      3.094063 
1 1 1 12 1  52 o 87.230  1.4087 59.693   1.9263  58.876   2.6660  60.584   2.7865  86.596  1.9638 87.839  2.0235 -1.242943      2.819825 
1 1 1 12 1  53 o 44.889  1.5667 15.813   1.1025  16.270   1.3735  14.985   1.8486  45.519  1.9248 43.562  2.7205 1.957253       3.332565 
1 1 1 12 1  54 o 48.561  1.4832 18.505   1.1291  19.609   1.4082  16.518   1.8896  49.974  1.7975 45.746  2.6463 4.228416       3.199012 
1 1 1 12 1  55 o 60.971  1.2370 29.165   1.1824  28.977   1.5563  29.421   1.8184  60.755  1.6340 61.202  1.8952 -0.4473076     2.502390 
1 1 1 12 1  56 o 35.715  1.6431 10.015   0.9200  9.6046   1.1902  10.624   1.4499  34.884  2.1875 36.655  2.5388 -1.770855      3.351214 
1 1 1 12 1  57 f 82.881  1.1400 53.892   1.4812  54.177   1.9535  53.506   2.2718  83.073  1.5000 82.534  1.7559 0.5390625      2.309330 
1 1 1 12 1  58 o 73.652  1.1755 42.563   1.3573  43.794   1.7587  40.751   2.1342  74.686  1.5021 72.009  1.8906 2.676498       2.414701 
1 1 1 12 1  59 o 78.163  1.0867 47.932   1.3315  47.479   1.7836  48.501   2.0012  77.764  1.4631 78.581  1.6245 -0.8171768     2.186267 
1 1 1 12 1  60 o 38.188  1.3768 11.449   0.8243  11.533   1.0865  11.336   1.2652  38.306  1.8093 37.897  2.1383 0.4083939      2.801059 
1 1 1 12 1  61 o 8.0531  3.1880 0.2775   0.5974  0.7662   0.7342  -0.6795  1.0275  10.425  3.6454 8.0184  3.6635 2.406735       5.168232 
1 1 1 12 1  62 o 40.150  1.6544 12.668   1.0413  10.794   1.8385  13.553   1.2635  36.794  3.2197 41.508  1.9417 -4.714039      3.759869 
1 1 1 12 1  63 o 20.473  2.7266 3.3668   0.8533  1.9047   1.5945  3.9537   1.0102  15.875  5.3788 22.167  2.9827 -6.291569      6.150490 
1 1 1 12 1  64 o 23.387  2.1908 4.3466   0.7938  6.9197   1.5887  3.4903   0.9165  29.313  3.5280 20.815  2.8862 8.497452       4.558158 
1 1 1 12 1  65 o 26.973  2.8900 5.8221   1.2030  5.0660   1.5813  6.8610   1.8534  24.843  4.2105 29.007  4.1980 -4.163567      5.945726 
1 1 1 12 1  66 o 14.140  4.6496 1.5516   1.1929  1.1100   1.6743  2.0069   1.6999  14.019  5.3985 16.249  5.5536 -2.229836      7.745128 
1 1 1 12 1  67 o 42.844  2.0828 14.475   1.3989  16.653   1.9726  12.272   1.9842  45.769  2.7621 39.148  3.2629 6.621532       4.274991 
1 1 1 12 1  68 o 102.134 1.5722 82.076   2.5173  80.613   3.5027  83.639   3.6203  101.033 2.2115 102.900 2.2442 -1.867378      3.150772 
1 1 1 12 1  69 o 47.480  1.9475 17.783   1.4496  17.823   2.0117  17.741   2.0905  47.313  2.7237 47.172  2.8402 0.1407928      3.935168 
1 1 1 12 1  70 o 40.269  2.1329 12.854   1.3417  11.021   1.7991  15.150   2.0139  37.036  3.1280 43.511  2.9702 -6.474602      4.313491 
1 1 1 12 1  71 o 33.365  2.1302 8.8420   1.1084  10.751   1.5648  6.9196   1.5701  36.655  2.7431 29.152  3.5060 7.502981       4.451602 
1 1 1 12 1  72 o 16.460  4.1027 2.2888   1.0549  3.6222   1.6230  1.3135   1.3881  20.515  5.0746 13.659  4.9849 6.856532       7.113430 
1 1 1 12 1  73 o 18.092  3.9521 2.7616   1.0895  2.1691   1.6345  3.2353   1.4616  16.302  5.4463 19.391  4.8272 -3.088932      7.277622 
1 1 1 12 1  74 o 35.605  2.0013 10.077   1.1125  10.263   1.5055  9.8525   1.6512  35.731  2.7079 34.890  3.0496 0.8414497      4.078293 
1 1 1 12 1  75 o 21.776  2.9651 3.8766   0.9859  5.0098   1.3420  2.5480   1.4531  24.594  3.5863 17.188  5.0555 7.406401       6.198385 
1 1 1 12 1  76 o 18.196  3.4874 2.7740   0.9586  3.7349   1.2575  1.4412   1.4809  21.021  3.9613 14.036  5.1449 6.984982       6.493181 
1 1 1 12 1  77 o 33.143  2.1127 8.7687   1.0920  10.061   1.3395  6.2080   1.8854  35.411  2.4276 26.913  4.6363 8.498571       5.233349 
1 1 1 12 1  78 o 21.781  4.0359 4.0286   1.3273  6.1355   2.2156  2.8494   1.6576  26.243  5.5585 17.991  5.4259 8.252802       7.767665 
1 1 1 12 1  79 o 10.617  4.3828 0.3937   1.1831  2.5457   2.2815  -0.3979  1.3837  17.558  6.3933 9.8248  4.3911 7.732902       7.756072 
1 1 1 12 1  80 o 31.719  2.5602 8.1333   1.2622  9.0853   2.4498  7.7892   1.4727  32.253  5.0075 30.825  3.0892 1.427828       5.883748 
1 1 1 12 1  81 o 18.673  5.6871 3.1803   1.8146  0.7602   2.9694  4.6226   2.2924  15.456  6.6826 22.099  6.3065 -6.643214      9.188563 
1 1 1 12 1  82 o 12.471  5.4422 0.1566   2.0069  -2.1468  2.8480  2.4286   2.8286  12.086  5.7114 17.482  6.9319 -5.395796      8.981746 
1 1 1 12 2  0  o 81.240  1.9344 51.823   2.4604  51.823   2.4604  51.823   2.4604  81.240  1.9344 81.240  1.9344 0.000000       0.000000 
1 1 1 12 2  1  o 269.125 1.9796 567.781  8.3520  570.472  11.850  565.124  11.773  269.747 2.8023 268.480 2.7972 1.267181       3.959477 
1 1 1 12 2  2  o 614.504 4.0608 2961.28  39.119  3028.54  56.593  2899.73  54.134  621.290 5.8105 607.947 5.6800 13.34290       8.125574 
1 1 1 12 2  3  o 303.142 2.1701 720.402  10.313  693.507  14.063  751.688  15.168  297.411 3.0163 309.632 3.1249 -12.22131      4.343176 
1 1 1 12 2  4  o 145.882 1.5770 166.824  3.6065  173.864  5.2103  160.348  4.9970  148.923 2.2318 143.017 2.2288 5.905518       3.154090 
1 1 1 12 2  5  f 283.669 2.0566 630.813  9.1455  633.292  12.987  628.375  12.881  284.208 2.9149 283.102 2.9023 1.105316       4.113413 
1 1 1 12 2  6  o 340.372 2.3817 908.248  12.708  907.638  17.966  908.858  17.978  340.229 3.3684 340.457 3.3685 -0.2285461     4.763724 
1 1 1 12 2  7  o 339.379 2.3747 902.961  12.634  921.644  18.218  885.650  17.537  342.842 3.3897 336.083 3.3285 6.759247       4.750682 
1 1 1 12 2  8  f 479.608 3.2180 1803.58  24.195  1803.73  34.218  1803.42  34.216  479.552 4.5517 479.511 4.5518 0.4159546E-01  6.437109 
1 1 1 12 2  9  o 446.931 2.8773 1566.09  20.160  1584.86  27.614  1544.67  29.500  449.551 3.9183 443.796 4.2401 5.754486       5.773356 
1 1 1 12 2  10 o 456.301 2.9337 1632.48  20.985  1603.08  27.884  1670.88  31.869  452.124 3.9341 461.557 4.4045 -9.433380      5.905613 
1 1 1 12 2  11 f 375.290 2.5852 1104.22  15.210  1113.97  21.700  1094.80  21.324  376.901 3.6727 373.647 3.6405 3.254578       5.171221 
1 1 1 12 2  12 o 498.308 3.1811 1947.02  24.850  1959.22  33.820  1932.69  36.636  499.795 4.3165 496.371 4.7082 3.424622       6.387390 
1 1 1 12 2  13 o 332.254 2.3349 865.460  12.162  866.750  15.727  863.543  19.181  332.480 3.0174 331.838 3.6872 0.6418457      4.764498 
1 1 1 12 2  14 o 311.250 2.1087 759.476  10.289  776.797  14.223  740.463  14.902  314.757 2.8825 307.301 3.0933 7.456451       4.228210 
1 1 1 12 2  15 o 581.167 3.6704 2648.81  33.440  2648.64  45.245  2649.01  49.642  581.025 4.9673 581.009 5.4502 0.1531982E-01  7.374251 
1 1 1 12 2  16 o 70.448  1.3890 38.904   1.5340  38.155   2.1588  39.667   2.1802  69.764  1.9740 71.133  1.9552 -1.368774      2.778331 
1 1 1 12 2  17 o 194.589 1.5136 296.828  4.6172  291.513  6.1548  303.670  6.9828  192.832 2.0360 196.807 2.2632 -3.975723      3.044275 
1 1 1 12 2  18 o 209.615 1.5867 344.442  5.2140  346.286  7.1059  342.292  7.6744  210.165 2.1568 208.945 2.3429 1.219452       3.184478 
1 1 1 12 2  19 o 214.417 1.7696 360.420  5.9482  366.559  8.0876  353.186  8.7788  216.222 2.3860 212.235 2.6385 3.987335       3.557359 
1 1 1 12 2  20 o 195.356 1.7818 299.192  5.4569  297.640  6.8374  301.915  9.0566  194.840 2.2385 196.215 2.9443 -1.375656      3.698628 
1 1 1 12 2  21 o 571.489 4.5306 2562.92  40.590  2487.80  60.101  2625.91  55.038  562.648 6.8138 578.208 6.0720 -15.55963      9.126687 
1 1 1 12 2  22 o 236.459 1.9930 438.367  7.3880  436.469  9.3379  441.545  12.080  235.930 2.5247 237.268 3.2477 -1.338562      4.113618 
1 1 1 12 2  23 o 120.966 1.6379 114.716  3.1060  116.199  3.8466  111.939  5.2653  121.740 2.0155 119.473 2.8112 2.266922       3.459093 
1 1 1 12 2  24 f 92.856  1.3985 67.594   2.0358  68.479   2.6221  66.250   3.2303  93.458  1.7897 91.920  2.2417 1.538651       2.868498 
1 1 1 12 2  25 o 234.266 1.8719 430.280  6.8746  423.528  9.0776  439.360  10.527  232.398 2.4916 236.686 2.8371 -4.287964      3.775930 
1 1 1 12 2  26 o 351.513 2.5680 968.986  14.151  969.309  18.979  968.581  21.236  351.503 3.4442 351.332 3.8557 0.1710510      5.170023 
1 1 1 12 2  27 o 100.058 1.3137 78.485   2.0606  76.273   2.7306  81.410   3.1404  98.632  1.7660 101.897 1.9659 -3.264664      2.642651 
1 1 1 12 2  28 o 188.226 1.6244 277.766  4.7931  282.920  6.5307  271.748  7.0569  189.947 2.1932 186.151 2.4182 3.796173       3.264602 
1 1 1 12 2  29 o 238.297 1.7266 445.216  6.4502  449.292  8.8072  440.501  9.4730  239.359 2.3471 236.995 2.5497 2.363327       3.465549 
1 1 1 12 2  30 o 139.607 1.3164 152.795  2.8811  152.538  3.8590  153.118  4.3306  139.481 1.7649 139.742 1.9768 -0.2601624     2.650000 
1 1 1 12 2  31 o 31.856  2.0878 7.9916   1.0369  8.2948   1.5098  7.7209   1.4265  32.378  3.0089 31.234  2.9482 1.143856       4.212566 
1 1 1 12 2  32 o 127.463 1.2280 127.367  2.4537  128.316  3.4601  126.407  3.4802  127.929 1.7253 126.973 1.7484 0.9560165      2.456339 
1 1 1 12 2  33 o 121.788 1.2183 116.278  2.3260  115.273  3.2333  117.357  3.3487  121.253 1.7010 122.343 1.7460 -1.090279      2.437595 
1 1 1 12 2  34 o 139.361 1.2639 152.257  2.7613  148.693  3.8089  156.205  4.0087  137.710 1.7643 141.144 1.8117 -3.434082      2.528871 
1 1 1 12 2  35 o 171.584 1.3702 230.814  3.6856  231.320  5.1918  230.299  5.2329  171.755 1.9282 171.376 1.9478 0.3797607      2.740764 
1 1 1 12 2  36 o 45.204  1.6157 16.021   1.1450  15.718   1.5940  16.345   1.6457  44.709  2.2818 45.593  2.3101 -0.8843880     3.247005 
1 1 1 12 2  37 o 153.271 1.3124 184.174  3.1534  184.272  4.4105  184.071  4.5102  153.298 1.8353 153.213 1.8778 0.8499146E-01  2.625708 
1 1 1 12 2  38 f 186.630 1.4997 273.089  4.3878  272.546  5.8915  273.765  6.5750  186.424 2.0159 186.830 2.2449 -0.4056854     3.017192 
1 1 1 12 2  39 o 93.048  1.2864 67.878   1.8764  67.823   2.5103  67.947   2.8247  93.003  1.7218 93.083  1.9357 -0.8020782E-01 2.590656 
1 1 1 12 2  40 o 111.751 1.3569 97.912   2.3772  100.358  3.3842  95.529   3.3399  113.125 1.9083 110.369 1.9303 2.756310       2.714340 
1 1 1 12 2  41 o 125.848 1.3734 124.174  2.7095  121.267  3.7794  127.249  3.8866  124.349 1.9387 127.379 1.9463 -3.029633      2.747180 
1 1 1 12 2  42 o 43.017  1.8788 14.512   1.2670  13.804   1.7855  15.230   1.7980  41.852  2.7365 43.979  2.6198 -2.127029      3.788377 
1 1 1 12 2  43 o 27.426  2.6574 5.9581   1.1282  5.7949   1.6055  6.1173   1.5857  26.875  3.9267 27.652  3.7552 -0.7772255     5.433263 
1 1 1 12 2  44 f 79.684  1.4070 49.788   1.7576  49.040   2.1806  51.176   2.9693  79.075  1.7591 80.761  2.3453 -1.686005      2.931702 
1 1 1 12 2  45 o 92.029  1.4763 66.415   2.1298  66.224   2.7737  66.689   3.3248  91.882  1.9256 92.189  2.3006 -0.3070068     3.000085 
1 1 1 12 2  46 o 126.664 1.4645 125.818  2.9080  126.952  3.8833  124.370  4.3877  127.210 1.9473 125.893 2.2232 1.317032       2.955419 
1 1 1 12 2  47 o 37.502  2.0815 11.070   1.2189  11.216   1.6666  10.902   1.7872  37.682  2.8423 37.120  3.0996 0.5617142      4.205489 
1 1 1 12 2  48 o 153.375 1.5315 184.517  3.6823  184.200  4.9240  184.919  5.5465  153.202 2.0502 153.475 2.3053 -0.2734222     3.085087 
1 1 1 12 2  49 o 31.967  2.0578 8.0542   1.0258  7.8492   1.4318  8.2704   1.4703  31.463  2.9367 32.304  2.9353 -0.8406315     4.152164 
1 1 1 12 2  50 o 81.847  1.1633 52.535   1.4926  52.306   2.2641  52.711   1.9851  81.641  1.7690 81.968  1.5448 -0.3271027     2.348597 
1 1 1 12 2  51 o 58.500  1.3471 26.846   1.2355  26.275   2.0627  27.165   1.5428  57.834  2.2751 58.835  1.6727 -1.001026      2.823864 
1 1 1 12 2  52 o 109.352 1.2967 93.805   2.2230  92.079   3.3435  95.173   2.9760  108.284 1.9696 110.113 1.7240 -1.828598      2.617572 
1 1 1 12 2  53 f 55.559  1.3907 24.220   1.2113  24.587   1.7315  23.869   1.6950  55.949  1.9741 55.127  1.9614 0.8226471      2.782832 
1 1 1 12 2  54 f 119.999 1.2352 112.969  2.3237  113.687  3.3018  112.265  3.2708  120.326 1.7504 119.572 1.7449 0.7542419      2.471539 
1 1 1 12 2  55 o 21.759  2.7227 3.7857   0.9084  4.2703   1.0973  2.7303   1.6193  23.066  3.1142 18.313  5.3227 4.752491       6.166810 
1 1 1 12 2  56 o 123.751 1.2825 120.173  2.4881  119.027  3.0575  122.418  4.2812  123.124 1.5841 124.768 2.1888 -1.644737      2.701892 
1 1 1 12 2  57 o 107.812 1.3821 91.237   2.3360  91.168   3.0390  91.335   3.6521  107.720 1.7996 107.762 2.1619 -0.4241180E-01 2.812881 
1 1 1 12 2  58 o 35.373  1.8526 9.8608   1.0238  9.6319   1.1425  10.793   2.3062  34.932  2.0960 36.652  4.0831 -1.719276      4.589662 
1 1 1 12 2  59 o 39.754  1.6145 12.415   1.0062  12.627   1.1630  11.782   2.0064  40.079  1.8510 38.447  3.3627 1.632771       3.838505 
1 1 1 12 2  60 o 93.408  1.1431 68.469   1.6739  68.768   2.1050  67.953   2.7605  93.581  1.4349 92.962  1.8942 0.6192398      2.376316 
1 1 1 12 2  61 o 49.028  1.2434 18.869   0.9557  18.721   1.1422  19.213   1.7450  48.820  1.4924 49.392  2.2537 -0.5715942     2.703032 
1 1 1 12 2  62 o 39.034  1.9458 11.988   1.1907  10.751   1.8171  12.918   1.5762  36.715  3.1887 40.394  2.5014 -3.678913      4.052753 
1 1 1 12 2  63 f 63.616  1.3777 31.787   1.3739  32.185   2.2028  31.534   1.7577  63.913  2.1985 63.320  1.7708 0.5925026      2.822925 
1 1 1 12 2  64 o 57.623  1.4553 26.090   1.3146  26.807   2.0672  25.604   1.7034  58.308  2.2615 57.033  1.9052 1.274906       2.957035 
1 1 1 12 2  65 o 31.160  2.0300 7.6822   0.9862  6.7136   1.6703  8.2006   1.2220  28.771  3.7959 32.133  2.4441 -3.362329      4.514680 
1 1 1 12 2  66 o 38.981  1.6801 11.957   1.0267  11.025   1.7772  12.423   1.2578  37.139  3.0802 39.648  2.0305 -2.508381      3.689237 
1 1 1 12 2  67 o 13.774  3.4719 1.5723   0.7494  2.8088   1.5362  1.1861   0.8585  18.299  5.1421 12.282  3.9377 6.016726       6.476573 
1 1 1 12 2  68 o 50.173  1.8817 19.848   1.4800  20.750   1.9796  18.705   2.2286  51.193  2.4667 48.415  2.9503 2.778103       3.845628 
1 1 1 12 2  69 o 39.082  2.3022 12.129   1.4043  12.004   1.9152  12.274   2.0652  38.652  3.1892 39.019  3.4105 -0.3669090     4.669333 
1 1 1 12 2  70 o 34.217  2.5009 9.3406   1.3322  8.7744   1.7967  10.032   1.9856  32.868  3.5429 35.129  3.6592 -2.261143      5.093316 
1 1 1 12 2  71 o 52.230  1.9412 21.563   1.5894  20.433   2.1530  22.917   2.3564  50.569  2.7259 53.528  2.8180 -2.959133      3.920663 
1 1 1 12 2  72 o 18.907  4.3589 3.0412   1.2655  2.9035   2.2006  3.1092   1.5469  18.663  6.3191 18.982  5.0928 -0.3191509     8.115833 
1 1 1 12 2  73 o 23.663  3.2234 4.5871   1.1646  3.5694   1.7063  5.4748   1.5936  20.215  5.3141 25.574  4.1144 -5.359156      6.720734 
1 1 1 12 2  74 o 19.637  3.5725 3.2210   1.0592  3.9009   1.3571  2.1612   1.6943  21.446  4.1869 16.255  5.5446 5.191650       6.947839 
1 1 1 12 2  75 o 19.450  3.4773 3.1580   1.0213  3.0841   1.2774  3.2888   1.7006  18.934  4.3890 19.313  5.4041 -0.3789024     6.961851 
1 1 1 12 2  76 o 28.917  2.4641 6.7287   1.1064  7.7490   1.3859  4.9366   1.8369  30.900  2.8948 23.738  5.0888 7.162069       5.854582 
1 1 1 12 2  77 o 11.898  4.1704 1.0737   0.9612  2.1651   1.1530  -1.4127  1.7402  15.851  4.4550 9.7833  4.5729 6.067332       6.384249 
1 1 1 12 2  78 o 9.3982  4.2621 -0.6088  1.3582  0.3057   2.1913  -1.1792  1.7307  13.387  5.7644 10.004  4.6366 3.382853       7.397745 
1 1 1 12 2  79 o 30.490  2.9107 7.5813   1.3744  6.2574   2.3309  8.2869   1.7017  26.219  5.8225 31.630  3.4899 -5.411018      6.788292 
1 1 1 12 2  80 o 10.640  4.6728 -0.1210  1.5008  1.0443   3.1225  -0.4711  1.7115  16.113  6.9085 10.793  4.8495 5.319578       8.440635 
1 1 1 12 2  81 o 19.600  5.6850 3.5610   1.8489  3.2006   3.0795  3.7641   2.3120  19.019  7.3222 19.914  6.4694 -0.8951721     9.770799 
1 1 1 12 2  82 o 11.164  5.1154 -0.8124  2.0225  -2.6142  2.8284  1.0729   2.8932  11.595  5.5397 15.439  6.6355 -3.843248      8.643981 
1 1 1 12 3  0  f 285.284 3.7709 638.412  16.858  638.412  16.858  638.412  16.858  285.284 3.7709 285.284 3.7709 0.000000       0.000000 
1 1 1 12 3  1  o 81.942  1.4001 52.634   1.7985  51.859   2.5382  53.415   2.5487  81.334  1.9907 82.545  1.9696 -1.211830      2.800349 
1 1 1 12 3  2  o 226.314 1.7616 401.507  6.2497  400.079  8.8078  402.955  8.8694  225.900 2.4871 226.711 2.4956 -0.8104248     3.523303 
1 1 1 12 3  3  o 255.650 1.9123 512.351  7.6639  509.458  10.788  515.298  10.889  254.912 2.6997 256.368 2.7094 -1.456680      3.824821 
1 1 1 12 3  4  o 618.109 4.0830 2996.38  39.564  2985.16  55.726  3007.77  56.180  616.780 5.7633 619.108 5.7885 -2.328491      8.168376 
1 1 1 12 3  5  f 665.431 4.6172 3473.31  48.166  3490.25  64.946  3452.61  71.801  666.856 6.2125 663.148 6.9067 3.707458       9.289660 
1 1 1 12 3  6  o 207.857 1.6664 338.683  5.4299  334.627  7.6053  342.901  7.7551  206.598 2.3482 209.137 2.3654 -2.538422      3.333028 
1 1 1 12 3  7  o 70.030  1.4439 38.444   1.5852  37.963   2.2398  38.926   2.2438  69.588  2.0531 70.466  2.0312 -0.8774948     2.888045 
1 1 1 12 3  8  o 341.243 2.2814 912.920  12.204  901.242  16.331  927.689  18.366  339.028 3.0728 343.953 3.4062 -4.925049      4.587386 
1 1 1 12 3  9  o 212.133 1.6065 352.760  5.3424  349.585  7.1760  356.709  8.0019  211.167 2.1677 213.304 2.3930 -2.136948      3.228821 
1 1 1 12 3  10 o 272.034 1.9049 580.136  8.1238  576.544  10.945  584.545  12.123  271.175 2.5745 273.043 2.8322 -1.867920      3.827492 
1 1 1 12 3  11 o 319.834 2.1613 801.958  10.836  816.692  14.920  785.507  15.765  322.733 2.9490 316.503 3.1773 6.230347       4.334961 
1 1 1 12 3  12 o 460.852 3.2779 1665.47  23.681  1667.78  31.767  1662.58  35.530  461.092 4.3947 460.327 4.9234 0.7645264      6.599535 
1 1 1 12 3  13 o 219.654 1.8179 378.235  6.2597  376.695  8.3838  380.174  9.4100  219.194 2.4398 220.197 2.7260 -1.003082      3.658373 
1 1 1 12 3  14 o 223.449 1.7399 391.417  6.0947  389.521  7.8339  394.323  9.7007  222.898 2.2419 224.254 2.7593 -1.356796      3.555295 
1 1 1 12 3  15 o 301.600 2.1622 713.151  10.223  723.002  13.350  699.186  15.896  303.654 2.8046 298.585 3.3960 5.068542       4.404356 
1 1 1 12 3  16 o 131.211 1.4325 134.962  2.9466  133.422  3.5850  138.168  5.1733  130.457 1.7529 132.747 2.4859 -2.289963      3.041812 
1 1 1 12 3  17 o 174.625 1.6691 239.055  4.5693  238.814  5.7861  239.454  7.4480  174.529 2.1148 174.749 2.7188 -0.2202301     3.444413 
1 1 1 12 3  18 o 560.461 4.1606 2464.51  36.556  2458.55  46.173  2474.52  59.839  559.622 5.2631 561.148 6.8023 -1.526855      8.600649 
1 1 1 12 3  19 o 87.587  1.3697 60.138   1.8807  63.183   2.5786  56.678   2.7489  89.773  1.8322 85.024  2.0624 4.749306       2.758708 
1 1 1 12 3  20 o 334.810 2.6272 879.040  13.790  851.350  18.942  910.258  20.113  329.427 3.6679 340.626 3.7665 -11.19867      5.257434 
1 1 1 12 3  21 o 612.027 4.2632 2939.59  40.904  2885.89  53.847  3012.85  62.893  606.131 5.6669 619.119 6.4800 -12.98724      8.608353 
1 1 1 12 3  22 o 404.230 2.7607 1281.48  17.495  1278.06  24.643  1284.96  24.841  403.584 3.8950 404.669 3.9157 -1.084595      5.523046 
1 1 1 12 3  23 o 331.823 2.2312 863.364  11.606  859.829  15.620  867.722  17.342  331.094 3.0094 332.586 3.3262 -1.491943      4.485551 
1 1 1 12 3  24 o 132.274 1.2420 137.158  2.5754  135.912  3.5939  138.474  3.6923  131.664 1.7412 132.899 1.7722 -1.234940      2.484468 
1 1 1 12 3  25 f 157.865 1.3789 195.371  3.4124  194.049  4.5497  197.070  5.1593  157.320 1.8448 158.535 2.0759 -1.214478      2.777173 
1 1 1 12 3  26 o 335.398 2.2534 882.124  11.848  878.876  15.949  886.123  17.698  334.722 3.0395 336.070 3.3593 -1.348297      4.530277 
1 1 1 12 3  27 o 235.500 1.8047 434.840  6.6625  440.514  9.4372  429.202  9.4074  236.999 2.5401 233.934 2.5652 3.064041       3.610008 
1 1 1 12 3  28 o 227.225 1.7612 404.815  6.2738  407.509  8.1239  400.836  9.8752  227.958 2.2733 226.058 2.7866 1.900406       3.596251 
1 1 1 12 3  29 o 100.589 1.2163 79.320   1.9179  77.554   2.4508  82.110   3.0808  99.458  1.5718 102.332 1.9204 -2.874176      2.481683 
1 1 1 12 3  30 o 110.375 1.3144 95.507   2.2743  94.214   2.6923  98.728   4.2496  109.622 1.5666 112.199 2.4161 -2.577087      2.879528 
1 1 1 12 3  31 o 247.560 1.7836 480.530  6.9220  479.808  9.3056  481.424  10.357  247.343 2.3999 247.743 2.6667 -0.3999939     3.587602 
1 1 1 12 3  32 o 190.855 1.4599 285.578  4.3680  284.946  5.6790  286.493  6.8350  190.630 1.9003 191.132 2.2812 -0.5016632     2.968994 
1 1 1 12 3  33 o 224.916 1.6113 396.625  5.6813  393.859  7.3648  400.691  8.9281  224.109 2.0963 226.022 2.5197 -1.912430      3.277724 
1 1 1 12 3  34 o 31.036  2.1904 7.5917   1.0589  7.5824   1.3554  7.6063   1.6963  30.961  2.8236 30.926  3.5640 0.3470802E-01  4.546946 
1 1 1 12 3  35 o 170.667 1.3315 228.354  3.5625  228.994  4.8324  227.592  5.2726  170.892 1.8038 170.362 1.9742 0.5299988      2.674170 
1 1 1 12 3  36 o 176.109 1.4121 243.158  3.8984  246.476  5.5416  239.907  5.4851  177.286 1.9939 174.907 2.0004 2.378525       2.824445 
1 1 1 12 3  37 o 80.306  1.2990 50.560   1.6353  49.740   2.2862  51.419   2.3402  79.643  1.8311 80.977  1.8435 -1.333580      2.598323 
1 1 1 12 3  38 o 227.250 1.5624 404.922  5.5662  403.795  7.5449  406.269  8.2451  226.903 2.1211 227.585 2.3110 -0.6815948     3.136837 
1 1 1 12 3  39 o 63.619  1.3601 31.733   1.3565  33.598   1.8655  29.640   1.9761  65.455  1.8180 61.475  2.0505 3.980022       2.740345 
1 1 1 12 3  40 o 175.869 1.3589 242.505  3.7465  240.604  5.0547  244.823  5.5809  175.158 1.8408 176.678 2.0150 -1.520157      2.729233 
1 1 1 12 3  41 o 213.324 1.5026 356.830  5.0251  354.325  6.7895  359.863  7.4725  212.542 2.0377 214.183 2.2255 -1.640869      3.017463 
1 1 1 12 3  42 o 147.230 1.2672 169.957  2.9248  167.212  3.9212  173.400  4.3910  146.020 1.7130 148.689 1.8838 -2.669296      2.546171 
1 1 1 12 3  43 o 69.583  1.2952 37.963   1.4128  37.962   1.9064  37.965   2.1043  69.572  1.7479 69.570  1.9294 0.2197266E-02  2.603470 
1 1 1 12 3  44 o 94.523  1.3162 70.059   1.9503  70.793   2.9281  69.473   2.6147  94.996  1.9662 94.114  1.7722 0.8824692      2.647035 
1 1 1 12 3  45 o 62.014  1.4622 30.159   1.4216  30.474   2.1162  29.900   1.9190  62.318  2.1662 61.734  1.9829 0.5842361      2.936681 
1 1 1 12 3  46 o 153.120 1.4861 183.884  3.5673  182.938  4.9565  184.901  5.1382  152.683 2.0708 153.494 2.1353 -0.8116455     2.974525 
1 1 1 12 3  47 o 78.767  1.4374 48.662   1.7749  47.768   2.4169  49.708   2.6148  78.018  1.9761 79.581  2.0959 -1.562805      2.880622 
1 1 1 12 3  48 o 35.898  2.1290 10.152   1.1928  11.072   1.6415  9.1230   1.7362  37.428  2.8183 33.892  3.3100 3.535721       4.347281 
1 1 1 12 3  49 o 173.398 1.3916 235.853  3.7828  228.863  5.7761  241.102  5.0056  170.719 2.1582 175.270 1.8218 -4.551331      2.824337 
1 1 1 12 3  50 o 108.142 1.3741 91.743   2.3296  95.838   3.2856  87.604   3.3036  110.488 1.8969 105.626 1.9951 4.862015       2.752923 
1 1 1 12 3  51 o 73.904  1.4311 42.855   1.6580  42.725   2.5828  42.946   2.1624  73.739  2.2343 73.957  1.8651 -0.2177811     2.910481 
1 1 1 12 3  52 o 32.022  2.1557 8.0937   1.0758  8.2689   1.7396  7.9851   1.3690  32.187  3.5042 31.732  2.7802 0.4554863      4.473143 
1 1 1 12 3  53 o 67.217  1.4203 35.457   1.4967  37.651   2.2878  33.815   1.9789  69.217  2.1084 65.610  1.9240 3.607071       2.854296 
1 1 1 12 3  54 o 16.974  3.5935 2.3621   0.9264  2.1451   1.2429  2.6334   1.3898  16.238  4.6470 17.898  4.8379 -1.660337      6.708151 
1 1 1 12 3  55 o 49.360  1.4989 19.127   1.1599  17.578   1.5410  21.153   1.7617  47.285  2.0788 51.865  2.1667 -4.579739      3.002700 
1 1 1 12 3  56 o 93.615  1.3406 68.784   1.9675  68.672   2.8358  68.888   2.7319  93.471  1.9353 93.627  1.8613 -0.1562958     2.685067 
1 1 1 12 3  57 o 107.370 1.1896 90.464   2.0024  90.216   2.5908  90.831   3.1557  107.182 1.5419 107.498 1.8726 -0.3162384     2.425700 
1 1 1 12 3  58 o 83.122  1.1756 54.220   1.5319  54.357   1.9790  54.015   2.4196  83.195  1.5174 82.892  1.8620 0.3030396      2.401974 
1 1 1 12 3  59 o 80.881  1.2851 51.352   1.6295  51.892   1.8991  49.843   3.1725  81.285  1.4904 79.514  2.5451 1.771461       2.949348 
1 1 1 12 3  60 o 48.667  1.4180 18.600   1.0818  19.088   1.2670  17.286   2.0785  49.286  1.6398 46.696  2.8531 2.589371       3.290735 
1 1 1 12 3  61 o 58.549  1.2657 26.913   1.1618  27.500   1.3612  25.340   2.2295  59.167  1.4675 56.678  2.5092 2.488953       2.906807 
1 1 1 12 3  62 o 12.859  4.7328 1.0690   1.2551  2.0082   1.6020  -0.4235  2.0195  16.150  5.3920 12.336  5.4190 3.813980       7.644562 
1 1 1 12 3  63 o 78.888  1.6679 48.939   2.0627  47.016   2.5226  52.818   3.5833  77.254  2.0830 81.716  2.7971 -4.462883      3.487507 
1 1 1 12 3  64 o 21.698  3.6214 3.8471   1.1884  6.5662   1.6314  0.7730   1.7347  28.460  3.7477 13.465  5.3988 14.99519       6.572123 
1 1 1 12 3  65 o 58.099  1.6089 26.553   1.4654  25.583   2.1219  27.437   2.0262  56.909  2.3785 58.970  2.1918 -2.060902      3.234371 
1 1 1 12 3  66 o 62.719  1.5395 30.944   1.5137  31.092   2.2197  30.815   2.0696  62.741  2.2568 62.491  2.1126 0.2498703      3.091317 
1 1 1 12 3  67 o 66.497  1.3922 34.771   1.4513  32.740   2.2700  36.176   1.8875  64.360  2.2499 67.759  1.7769 -3.399231      2.866939 
1 1 1 12 3  68 o 14.078  3.9974 1.6410   0.9234  2.0880   1.5275  1.3836   1.1592  16.113  5.2597 13.473  4.5861 2.640761       6.978296 
1 1 1 12 3  69 o 59.645  1.3980 27.995   1.3072  28.147   2.1533  27.906   1.6450  59.608  2.3044 59.482  1.7641 0.1259384      2.902108 
1 1 1 12 3  70 o 8.2601  3.4200 0.1651   0.7235  -0.6078  1.4813  0.4073   0.8291  10.007  4.5024 9.4497  3.7511 0.5572853      5.860275 
1 1 1 12 3  71 o 38.912  2.2145 12.048   1.3453  11.508   1.7321  12.869   2.1357  37.811  2.9454 39.804  3.4569 -1.993484      4.541567 
1 1 1 12 3  72 o 22.243  4.1797 4.1740   1.4039  5.5525   2.0204  2.8869   1.9523  25.296  5.2661 18.382  5.9425 6.914124       7.940090 
1 1 1 12 3  73 o 36.401  2.3649 10.596   1.3422  9.1999   1.9036  11.976   1.8927  33.427  3.6944 38.415  3.1713 -4.987110      4.868867 
1 1 1 12 3  74 o 37.059  2.0604 10.938   1.1923  11.307   1.5512  10.406   1.8637  37.487  2.6568 35.674  3.3725 1.812679       4.293332 
1 1 1 12 3  75 o 12.526  4.2967 1.2246   1.0176  1.0429   1.2748  1.5437   1.6895  12.537  4.7386 14.640  5.4713 -2.103445      7.238070 
1 1 1 12 3  76 o 17.199  3.8440 2.5212   1.0104  2.0639   1.2570  3.3560   1.6983  15.529  4.7343 19.425  5.3882 -3.896267      7.172565 
1 1 1 12 3  77 o 18.507  4.7342 3.0024   1.3790  2.4859   2.3273  3.2819   1.7120  17.493  6.4439 19.168  5.4429 -1.674898      8.434982 
1 1 1 12 3  78 o 25.119  3.6800 5.2879   1.4061  2.0979   2.3218  7.1355   1.7670  16.646  6.3702 29.100  3.9775 -12.45424      7.510008 
1 1 1 12 3  79 o 22.671  4.0414 4.3980   1.3837  3.7284   2.2976  4.7790   1.7332  20.016  6.4443 23.229  4.9130 -3.213266      8.103467 
1 1 1 12 3  80 o 10.150  4.5291 -0.3250  1.4656  -1.7543  2.9745  0.1333   1.6842  12.763  5.9699 11.594  5.0228 1.169489       7.801784 
1 1 1 12 3  81 o 13.239  5.2983 1.0804   1.6672  2.4483   3.1873  0.5652   1.9562  17.752  7.2451 12.934  5.5047 4.818370       9.099092 
1 1 1 12 4  0  o 143.370 2.0035 161.223  4.5010  161.223  4.5010  161.223  4.5010  143.370 2.0035 143.370 2.0035 0.000000       0.000000 
1 1 1 12 4  1  o 194.934 1.5403 297.880  4.7069  296.383  6.3579  299.695  7.0018  194.436 2.0858 195.516 2.2844 -1.079895      3.093414 
1 1 1 12 4  2  o 368.468 2.5574 1064.48  14.772  1074.10  19.247  1050.68  23.045  370.097 3.3173 366.003 4.0165 4.093872       5.209280 
1 1 1 12 4  3  o 129.499 1.3798 131.458  2.8012  131.765  3.9690  131.153  3.9540  129.645 1.9528 129.343 1.9500 0.3016205      2.759751 
1 1 1 12 4  4  o 130.218 1.3806 132.923  2.8183  133.916  3.9864  131.932  3.9850  130.699 1.9456 129.727 1.9595 0.9722748      2.761369 
1 1 1 12 4  5  o 312.906 2.4977 767.651  12.252  755.763  17.039  780.379  17.630  310.435 3.5012 315.448 3.5651 -5.012329      4.996820 
1 1 1 12 4  6  o 511.052 3.8248 2048.42  30.642  2064.94  43.640  2032.36  43.036  512.949 5.4269 508.889 5.3946 4.059570       7.651998 
1 1 1 12 4  7  o 191.830 1.7900 288.480  5.3830  294.146  7.7042  283.075  7.5243  193.691 2.5373 190.012 2.5260 3.679886       3.580264 
1 1 1 12 4  8  o 91.262  1.5218 65.290   2.1772  63.839   2.9826  66.945   3.1853  90.238  2.1084 92.406  2.1989 -2.168411      3.046350 
1 1 1 12 4  9  o 169.068 1.9159 224.088  5.0780  233.159  7.3686  215.884  7.0077  172.441 2.7258 165.931 2.6940 6.510300       3.832411 
1 1 1 12 4  10 o 90.536  1.6925 64.257   2.4022  67.730   3.4340  60.929   3.3615  92.944  2.3568 88.154  2.4324 4.790497       3.386925 
1 1 1 12 4  11 o 72.749  1.8087 41.491   2.0627  45.067   2.5987  35.400   3.3915  75.817  2.1864 67.186  3.2200 8.630470       3.892118 
1 1 1 12 4  12 o 265.132 2.3488 551.150  9.7627  555.516  12.990  545.483  14.799  266.152 3.1134 263.717 3.5797 2.435181       4.744177 
1 1 1 12 4  13 f 213.542 2.1975 357.522  7.3566  367.458  10.704  348.627  10.127  216.460 3.1544 210.844 3.0640 5.616089       4.397511 
1 1 1 12 4  14 o 115.595 1.5895 104.752  2.8803  102.120  3.7447  108.564  4.5073  114.128 2.0930 117.668 2.4435 -3.540367      3.217315 
1 1 1 12 4  15 o 21.965  3.6200 3.8845   1.2030  5.9099   1.8999  2.5287   1.5544  27.061  4.6457 17.806  5.2263 9.255106       6.992648 
1 1 1 12 4  16 o 245.108 1.8728 471.011  7.1961  476.060  9.3341  463.613  11.299  246.400 2.4165 243.136 2.9643 3.264496       3.824438 
1 1 1 12 4  17 o 244.549 1.7803 468.860  6.8250  470.158  9.2271  467.292  10.142  244.867 2.4037 244.109 2.6502 0.7573853      3.577858 
1 1 1 12 4  18 o 140.539 1.3490 154.835  2.9722  152.541  3.6610  159.269  5.0903  139.489 1.6742 142.521 2.2783 -3.031479      2.827324 
1 1 1 12 4  19 o 235.844 1.6608 436.071  6.1404  429.416  7.9089  446.172  9.7429  234.021 2.1558 238.525 2.6055 -4.504028      3.381755 
1 1 1 12 4  20 o 114.809 1.2877 103.331  2.3177  103.330  3.1102  103.331  3.4756  114.803 1.7282 114.801 1.9312 0.2464294E-02  2.591549 
1 1 1 12 4  21 o 223.869 1.6089 392.912  5.6464  393.830  7.3663  391.604  8.7919  224.115 2.0966 223.465 2.5097 0.6501617      3.270224 
1 1 1 12 4  22 o 127.946 1.2070 128.329  2.4210  133.344  3.3491  122.840  3.5038  130.416 1.6381 125.171 1.7856 5.244743       2.423150 
1 1 1 12 4  23 o 103.953 1.1728 84.713   1.9112  85.411   2.5823  83.868   2.8421  104.376 1.5782 103.426 1.7529 0.9495621      2.358670 
1 1 1 12 4  24 o 83.678  1.2431 54.891   1.6307  52.855   2.1030  57.962   2.5827  82.107  1.6338 85.978  1.9162 -3.870926      2.518128 
1 1 1 12 4  25 o 270.399 1.7567 573.261  7.4466  572.427  10.107  574.252  11.013  270.170 2.3864 270.588 2.5962 -0.4178772     3.526365 
1 1 1 12 4  26 o 50.881  1.4987 20.297   1.1954  21.194   1.5794  19.094   1.8290  51.990  1.9379 49.342  2.3645 2.647945       3.057139 
1 1 1 12 4  27 o 314.520 2.1436 775.725  10.569  764.659  15.377  785.635  14.552  312.191 3.1420 316.463 2.9332 -4.271973      4.298366 
1 1 1 12 4  28 o 312.041 1.9641 763.499  9.6081  771.119  13.181  754.861  14.035  313.544 2.6817 310.204 2.8860 3.339844       3.939624 
1 1 1 12 4  29 o 74.109  1.2605 43.056   1.4644  41.789   1.9461  44.710   2.2234  73.006  1.7004 75.512  1.8783 -2.505562      2.533654 
1 1 1 12 4  30 o 35.603  1.9002 9.9678   1.0568  11.395   1.3400  7.6199   1.7187  38.051  2.2564 30.949  3.6103 7.101820       4.257378 
1 1 1 12 4  31 o 45.336  1.5328 16.115   1.0894  15.496   1.4079  17.037   1.7199  44.454  2.0202 46.547  2.3647 -2.093418      3.110138 
1 1 1 12 4  32 o 100.586 1.2571 79.318   1.9822  78.713   2.7527  79.970   2.8568  100.193 1.7526 100.989 1.8045 -0.7961121     2.515466 
1 1 1 12 4  33 o 107.161 1.2699 90.027   2.1333  92.694   3.0250  87.388   3.0091  108.727 1.7747 105.568 1.8182 3.158829       2.540791 
1 1 1 12 4  34 o 345.058 2.2222 933.816  12.021  931.147  16.924  936.533  17.077  344.466 3.1340 345.458 3.1533 -0.9924316     4.445852 
1 1 1 12 4  35 o 124.669 1.2823 121.851  2.5060  120.275  3.4953  123.518  3.5949  123.848 1.8003 125.506 1.8271 -1.657784      2.565042 
1 1 1 12 4  36 o 57.536  1.5907 25.957   1.4348  23.081   2.0779  28.577   1.9837  54.244  2.4435 60.364  2.0962 -6.119915      3.219465 
1 1 1 12 4  37 f 74.148  1.3510 43.106   1.5704  45.583   2.2400  40.712   2.2022  76.240  1.8741 72.050  1.9497 4.190056       2.704380 
1 1 1 12 4  38 o 82.444  1.3132 53.291   1.6973  54.124   2.3767  52.424   2.4246  83.077  1.8249 81.760  1.8917 1.316940       2.628438 
1 1 1 12 4  39 o 177.613 1.4333 247.349  3.9909  247.098  5.6261  247.604  5.6621  177.494 2.0219 177.675 2.0328 -0.1809692     2.867148 
1 1 1 12 4  40 o 183.831 1.4552 264.983  4.1937  266.998  5.9487  262.992  5.9130  184.496 2.0567 183.107 2.0599 1.389542       2.910917 
1 1 1 12 4  41 o 127.016 1.2861 126.494  2.5609  124.170  3.5575  128.994  3.6894  125.825 1.8035 128.244 1.8351 -2.419167      2.573000 
1 1 1 12 4  42 o 89.479  1.2818 62.779   1.7980  62.260   2.5211  63.316   2.5650  89.094  1.8051 89.846  1.8211 -0.7518845     2.564092 
1 1 1 12 4  43 o 149.767 1.4070 175.893  3.3035  180.842  5.0000  172.059  4.4009  151.818 2.1009 148.099 1.8956 3.719086       2.829608 
1 1 1 12 4  44 o 189.122 1.5496 280.525  4.5944  276.043  6.7590  284.375  6.2641  187.538 2.2990 190.368 2.0990 -2.830475      3.113059 
1 1 1 12 4  45 o 123.652 1.3355 119.908  2.5888  117.856  3.8129  121.664  3.5262  122.552 1.9846 124.528 1.8063 -1.976036      2.683542 
1 1 1 12 4  46 o 21.530  3.1983 3.7241   1.0467  2.5973   1.5327  4.7088   1.4328  17.932  5.1688 24.146  3.9196 -6.213381      6.486832 
1 1 1 12 4  47 o 41.144  1.8612 13.286   1.2005  13.502   1.7436  13.091   1.6554  41.361  2.7040 40.735  2.6059 0.6258163      3.755287 
1 1 1 12 4  48 o 99.746  1.3527 78.044   2.1151  76.175   3.0251  79.830   2.9585  98.504  1.9590 100.847 1.8714 -2.342491      2.709159 
1 1 1 12 4  49 o 53.149  1.6177 22.168   1.3479  20.613   1.8843  23.797   1.9288  51.217  2.3468 55.038  2.2355 -3.820557      3.241158 
1 1 1 12 4  50 o 107.538 1.4705 90.746   2.4790  88.368   3.7317  92.623   3.3165  106.044 2.2448 108.601 1.9480 -2.557083      2.972161 
1 1 1 12 4  51 o 90.991  1.2664 64.953   1.8064  63.210   2.7338  66.304   2.4067  89.707  1.9439 91.902  1.6705 -2.194298      2.563089 
1 1 1 12 4  52 o 100.821 1.3204 79.759   2.0869  79.819   3.3896  79.723   2.6484  100.771 2.1456 100.766 1.6765 0.5836487E-02  2.722955 
1 1 1 12 4  53 o 101.025 1.3928 80.101   2.2058  82.196   3.3885  78.560   2.9058  102.254 2.1139 100.000 1.8536 2.253471       2.811462 
1 1 1 12 4  54 o 68.874  1.5522 37.246   1.6759  37.709   2.9122  37.016   2.0493  69.184  2.6851 68.633  1.9047 0.5515747      3.292022 
1 1 1 12 4  55 o 82.389  1.4925 53.296   1.9276  50.089   3.2792  54.989   2.3828  79.732  2.6235 83.654  1.8170 -3.922043      3.191269 
1 1 1 12 4  56 o 141.818 1.3391 157.875  2.9771  157.755  4.5152  157.967  3.9598  141.630 2.0336 141.780 1.7816 -0.1496887     2.703613 
1 1 1 12 4  57 o 44.996  1.6886 15.909   1.1911  15.150   1.6469  16.742   1.7248  43.789  2.4084 46.041  2.3980 -2.251751      3.398661 
1 1 1 12 4  58 o 37.047  1.8832 10.820   1.0901  9.5530   1.5113  12.195   1.5740  34.676  2.8040 39.243  2.5728 -4.566814      3.805509 
1 1 1 12 4  59 o 57.469  1.4009 25.936   1.2621  26.396   1.5974  25.173   2.0589  57.944  1.7585 56.524  2.3236 1.420647       2.914019 
1 1 1 12 4  60 f 22.168  2.4826 3.9237   0.8479  5.4237   1.0946  1.6725   1.3410  26.068  2.7184 14.796  4.9329 11.27253       5.632305 
1 1 1 12 4  61 o 12.386  3.6458 1.2402   0.7554  1.6808   0.9481  0.4742   1.2501  14.323  4.0448 11.312  4.5663 3.011220       6.100139 
1 1 1 12 4  62 o 55.543  1.3426 24.233   1.1691  24.648   1.3577  23.043   2.2988  55.997  1.5467 53.916  2.7287 2.080746       3.136547 
1 1 1 12 4  63 o 15.184  4.5602 1.8771   1.1727  2.4016   1.5870  1.2462   1.7404  17.188  5.3333 14.489  5.5223 2.698740       7.677214 
1 1 1 12 4  64 o 80.285  1.7505 50.739   2.2031  50.685   2.6763  50.851   3.8805  80.161  2.1297 80.015  3.0936 0.1463470      3.755788 
1 1 1 12 4  65 o 33.706  2.6231 9.0507   1.3751  8.1841   1.9124  9.9784   1.9787  31.718  3.9302 35.150  3.6438 -3.431379      5.359459 
1 1 1 12 4  66 o 27.227  2.9278 5.9583   1.2300  6.2986   1.7100  5.5934   1.7705  27.702  4.0580 25.937  4.5186 1.765238       6.073365 
1 1 1 12 4  67 o 21.504  4.0731 3.8474   1.3228  3.1935   1.5859  5.3429   2.3984  19.376  5.1375 24.790  6.1901 -5.414825      8.044330 
1 1 1 12 4  68 o 18.734  4.2415 2.9561   1.2167  0.6250   1.6848  5.4967   1.7589  12.886  5.2643 25.616  4.5464 -12.73059      6.955744 
1 1 1 12 4  69 o 26.462  3.0751 5.6737   1.2519  5.0984   1.7513  6.2747   1.7901  24.541  4.7235 27.447  4.3017 -2.906086      6.388734 
1 1 1 12 4  70 o 59.158  1.8658 27.665   1.7303  33.504   2.7731  23.943   2.2142  64.790  2.7302 54.824  2.5763 9.965908       3.753849 
1 1 1 12 4  71 o 23.643  2.8298 4.5349   1.0280  3.8254   1.7962  4.8805   1.2537  20.894  5.4329 24.375  3.3710 -3.481091      6.393697 
1 1 1 12 4  72 o 11.810  4.1970 1.0230   0.9763  -0.5097  2.1491  1.4216   1.0958  12.271  5.4794 13.348  4.4595 -1.076456      7.064757 
1 1 1 12 4  73 o 14.794  3.9352 1.8610   0.9286  -0.6916  1.6357  3.0747   1.1279  10.354  4.6881 19.048  3.9083 -8.694163      6.103493 
1 1 1 12 4  74 o 31.555  2.7367 8.0511   1.3404  12.870   1.9577  3.7989   1.8390  39.760  3.1671 20.624  5.5609 19.13567       6.399560 
1 1 1 12 4  75 o 11.827  4.2830 1.0121   1.0219  1.0634   1.2558  0.9114   1.7581  12.524  4.7098 13.383  5.4107 -0.8598309     7.173468 
1 1 1 12 4  76 o 38.755  1.9860 11.968   1.2026  10.914   1.4703  14.099   2.0901  36.803  2.5645 41.531  3.2358 -4.728310      4.128776 
1 1 1 12 4  77 o 19.145  4.8772 3.2423   1.4679  3.6231   2.2304  2.9513   1.9496  19.885  6.3438 18.212  5.9420 1.673075       8.692032 
1 1 1 12 4  78 o 9.5080  4.3532 -0.7715  1.4610  1.7279   2.3198  -2.4145  1.8809  15.862  6.2814 9.2048  4.4290 6.656817       7.685797 
1 1 1 12 4  79 o 18.730  5.3680 3.1968   1.6574  6.2654   3.1849  2.0574   1.9408  24.811  7.5296 15.900  5.8795 8.911110       9.553163 
1 1 1 12 4  80 o 11.409  4.9385 0.1621   1.6254  1.8850   3.1911  -0.4416  1.8888  16.995  7.1213 11.272  5.0767 5.723671       8.745569 
1 1 1 12 5  0  o 216.667 5.5736 368.967  18.903  368.967  18.903  368.967  18.903  216.667 5.5736 216.667 5.5736 0.000000       0.000000 
1 1 1 12 5  1  f 335.165 3.7808 881.163  19.866  886.075  28.129  876.276  28.060  335.977 5.3406 334.112 5.3572 1.864319       7.564470 
1 1 1 12 5  2  o 248.835 3.4673 485.639  13.526  497.609  16.953  464.673  22.436  251.842 4.2939 243.264 5.8831 8.577560       7.283471 
1 1 1 12 5  3  o 298.574 3.0799 699.099  14.416  693.186  22.603  703.155  18.717  297.201 4.8512 299.389 3.9880 -2.188263      6.280035 
1 1 1 12 5  4  o 160.437 1.7940 201.794  4.5121  202.496  6.9569  201.284  5.9280  160.698 2.7616 160.225 2.3601 0.4729309      3.632659 
1 1 1 12 5  5  o 291.902 2.5488 668.109  11.663  671.254  17.911  665.794  15.368  292.521 3.9058 291.359 3.3646 1.161804       5.155184 
1 1 1 12 5  6  o 218.067 1.8339 372.806  6.2694  361.013  8.1859  389.538  9.7504  214.575 2.4335 222.880 2.7906 -8.305038      3.702624 
1 1 1 12 5  7  o 208.105 1.7761 339.520  5.7942  327.020  7.5067  357.944  9.1135  204.225 2.3447 213.652 2.7210 -9.426926      3.591843 
1 1 1 12 5  8  o 245.568 1.7901 472.767  6.8915  456.921  9.8535  487.941  9.6420  241.393 2.6038 249.458 2.4656 -8.064346      3.585931 
1 1 1 12 5  9  f 141.582 1.2972 157.139  2.8793  163.308  4.1458  151.390  4.0019  144.328 1.8323 138.961 1.8370 5.366455       2.594624 
1 1 1 12 5  10 o 144.628 1.3058 163.973  2.9606  164.417  4.1678  163.520  4.2062  144.816 1.8358 144.421 1.8579 0.3959045      2.611867 
1 1 1 12 5  11 o 466.616 3.0113 1707.60  22.027  1694.80  29.548  1723.62  33.048  464.758 4.0555 468.637 4.4984 -3.879517      6.056609 
1 1 1 12 5  12 o 296.821 1.9678 690.750  9.1567  682.170  12.764  699.847  13.143  294.936 2.7607 298.731 2.8065 -3.794250      3.936708 
1 1 1 12 5  13 o 206.657 1.6110 334.809  5.2192  349.449  7.9825  323.878  6.8977  211.104 2.4121 203.241 2.1649 7.862747       3.241135 
1 1 1 12 5  14 o 128.639 1.3260 129.725  2.6741  132.681  3.9663  127.261  3.6207  130.088 1.9449 127.405 1.8128 2.682625       2.658731 
1 1 1 12 5  15 o 179.461 1.3731 252.477  3.8629  252.741  5.2472  252.165  5.7078  179.544 1.8642 179.336 2.0302 0.2087555      2.756302 
1 1 1 12 5  16 o 233.389 1.7348 427.047  6.3470  417.777  8.3903  439.448  9.7045  230.822 2.3187 236.721 2.6151 -5.898666      3.495002 
1 1 1 12 5  17 o 283.052 1.9031 628.163  8.4446  624.934  10.986  632.827  13.203  282.298 2.4824 284.048 2.9649 -1.749878      3.866907 
1 1 1 12 5  18 o 221.320 1.5428 384.014  5.3529  384.999  7.2921  382.863  7.8826  221.586 2.0992 220.964 2.2756 0.6222839      3.095956 
1 1 1 12 5  19 o 248.246 1.7368 483.163  6.7590  478.954  9.4871  487.501  9.6318  247.132 2.4488 249.327 2.4642 -2.194580      3.474057 
1 1 1 12 5  20 o 297.873 1.9005 695.696  8.8749  677.132  11.776  720.102  13.502  293.836 2.5565 302.996 2.8426 -9.160034      3.823074 
1 1 1 12 5  21 o 54.706  1.4278 23.462   1.2245  24.830   1.6795  21.910   1.7891  56.274  1.9038 52.859  2.1590 3.414753       2.878481 
1 1 1 12 5  22 o 274.388 1.7868 590.310  7.6857  570.279  10.125  617.549  11.806  269.661 2.3950 280.596 2.6840 -10.93500      3.597243 
1 1 1 12 5  23 o 237.152 1.6151 440.945  6.0044  437.199  8.1056  445.500  8.9384  236.119 2.1898 238.340 2.3923 -2.220764      3.243159 
1 1 1 12 5  24 o 38.543  1.8332 11.648   1.1076  12.272   1.4380  10.737   1.7369  39.489  2.3333 36.870  3.0318 2.618721       3.825707 
1 1 1 12 5  25 o 101.915 1.2011 81.425   1.9190  82.586   2.6061  80.049   2.8363  102.633 1.6198 101.041 1.7906 1.591667       2.414499 
1 1 1 12 5  26 o 57.371  1.4085 25.804   1.2668  23.855   1.6682  28.459   1.9468  55.156  1.9293 60.243  2.0614 -5.086807      2.823394 
1 1 1 12 5  27 o 240.687 1.8590 454.237  7.0143  455.459  11.013  453.402  9.0983  240.949 2.9157 240.437 2.4138 0.5121918      3.785181 
1 1 1 12 5  28 o 21.954  3.1346 3.8581   1.0482  3.6840   1.4697  4.0384   1.4953  21.253  4.5486 22.284  4.4363 -1.031670      6.353798 
1 1 1 12 5  29 o 85.809  1.3500 57.726   1.8161  55.914   2.4176  60.074   2.7512  84.444  1.8262 87.526  2.0051 -3.081535      2.712106 
1 1 1 12 5  30 o 25.573  2.9110 5.1972   1.1462  3.7696   1.5041  7.1742   1.7701  21.496  4.6022 29.983  3.8552 -8.486645      6.003574 
1 1 1 12 5  31 o 194.149 1.5585 295.539  4.7434  299.341  6.4854  291.165  6.9557  195.370 2.1175 192.675 2.3028 2.695633       3.128393 
1 1 1 12 5  32 o 172.978 1.4802 234.596  4.0138  236.545  5.9151  232.933  5.4645  173.669 2.1726 172.344 2.0225 1.324722       2.968330 
1 1 1 12 5  33 o 154.767 1.3129 187.791  3.1854  188.655  4.3323  186.774  4.6997  155.109 1.7817 154.327 1.9426 0.7811737      2.635883 
1 1 1 12 5  34 o 249.259 1.6766 487.176  6.5515  483.663  8.8361  491.464  9.7635  248.321 2.2698 250.298 2.4883 -1.977402      3.368023 
1 1 1 12 5  35 o 147.154 1.2958 169.774  2.9893  168.500  4.0267  171.339  4.4616  146.587 1.7523 147.810 1.9255 -1.223068      2.603421 
1 1 1 12 5  36 o 39.981  1.8521 12.536   1.1608  13.823   1.5633  10.955   1.7331  41.908  2.3895 37.240  2.9939 4.668125       3.830552 
1 1 1 12 5  37 o 205.393 1.4891 330.785  4.7948  329.933  6.4978  331.803  7.1045  205.098 2.0209 205.667 2.2035 -0.5680847     2.989924 
1 1 1 12 5  38 o 214.344 1.5291 360.259  5.1380  363.331  7.0111  356.695  7.5513  215.220 2.0780 213.231 2.2590 1.988358       3.069404 
1 1 1 12 5  39 o 252.076 1.6910 498.326  6.6823  498.217  9.0654  498.455  9.8885  251.994 2.2948 252.031 2.5028 -0.3724670E-01 3.395571 
1 1 1 12 5  40 o 66.760  1.3547 34.948   1.4178  34.902   1.9135  35.004   2.1111  66.706  1.8299 66.799  2.0160 -0.9287262E-01 2.722626 
1 1 1 12 5  41 o 227.710 1.7180 406.691  6.1326  408.613  8.3689  404.462  9.0125  228.184 2.3395 226.999 2.5326 1.185074       3.447825 
1 1 1 12 5  42 o 38.021  2.0655 11.376   1.2265  10.270   1.6803  12.637   1.7945  36.035  3.0017 40.010  2.8802 -3.975197      4.160060 
1 1 1 12 5  43 f 126.126 1.3479 124.751  2.6651  120.979  3.5751  129.468  3.9982  124.178 1.8365 128.451 1.9855 -4.273010      2.704629 
1 1 1 12 5  44 o 85.092  1.3421 56.786   1.7903  56.117   2.4537  57.548   2.6181  84.568  1.8508 85.635  1.9502 -1.067017      2.688597 
1 1 1 12 5  45 o 101.157 1.3061 80.255   2.0711  78.578   2.8130  82.239   3.0607  100.069 1.7932 102.366 1.9073 -2.297379      2.617846 
1 1 1 12 5  46 o 7.7043  3.5299 -0.6871  0.9630  -0.5417  1.3372  -0.8437  1.3879  9.7111  4.3302 9.4526  4.2951 0.2584457      6.099029 
1 1 1 12 5  47 o 59.046  1.4571 27.353   1.3487  26.581   1.8412  28.246   1.9813  58.183  2.0186 59.972  2.1074 -1.789619      2.918182 
1 1 1 12 5  48 o 28.075  2.2790 6.2341   0.9944  7.0542   1.4532  5.5121   1.3635  29.762  3.1631 26.231  3.3956 3.531687       4.640614 
1 1 1 12 5  49 o 40.410  1.7578 12.820   1.1135  12.350   1.5646  13.304   1.5851  39.545  2.5371 41.057  2.4743 -1.511913      3.543910 
1 1 1 12 5  50 o 54.307  1.4274 23.144   1.2152  23.212   1.7567  23.082   1.6829  54.351  2.0617 54.204  1.9805 0.1469879      2.858854 
1 1 1 12 5  51 o 59.310  1.3804 27.606   1.2835  27.012   1.8318  28.178   1.7988  58.631  1.9930 59.888  1.9160 -1.256878      2.764572 
1 1 1 12 5  52 o 85.897  1.4127 57.912   1.9023  56.069   2.4037  61.001   3.1121  84.482  1.8150 88.066  2.2542 -3.583878      2.894026 
1 1 1 12 5  53 o 56.612  1.5159 25.164   1.3454  26.757   1.8299  23.290   1.9849  58.340  2.0008 54.402  2.3274 3.938614       3.069196 
1 1 1 12 5  54 o 120.942 1.2490 114.791  2.3682  113.864  3.4134  115.652  3.2883  120.373 1.8089 121.327 1.7288 -0.9545822     2.502182 
1 1 1 12 5  55 o 36.018  1.8973 10.227   1.0675  10.103   1.6824  10.312   1.3812  35.637  3.0405 36.098  2.4554 -0.4602470     3.908171 
1 1 1 12 5  56 o 56.743  1.4465 25.285   1.2868  25.340   2.0924  25.251   1.6318  56.720  2.3532 56.673  1.8367 0.4678345E-01  2.985125 
1 1 1 12 5  57 o 25.211  2.3021 5.0476   0.8998  4.6888   1.3931  5.3045   1.1787  24.009  3.8301 25.741  2.9757 -1.732279      4.850227 
1 1 1 12 5  58 o 63.272  1.3942 31.440   1.3829  31.371   2.0050  31.503   1.9099  63.136  2.0257 63.280  1.9252 -0.1443405     2.794655 
1 1 1 12 5  59 o 76.037  1.5655 45.435   1.8661  43.866   2.2780  48.637   3.2540  74.660  1.9463 78.484  2.6447 -3.824135      3.283682 
1 1 1 12 5  60 o 37.943  1.9763 11.365   1.1715  11.361   1.6867  11.369   1.6284  37.790  2.8685 37.823  2.7655 -0.3281021E-01 3.984450 
1 1 1 12 5  61 o 64.772  1.3428 32.957   1.3635  33.963   1.8067  31.625   2.0784  65.703  1.7541 63.351  2.0927 2.351788       2.730619 
1 1 1 12 5  62 o 11.833  3.8210 1.0895   0.8073  0.2262   1.0008  2.6978   1.3660  9.7326  4.0254 17.969  4.7698 -8.235955      6.241366 
1 1 1 12 5  63 o 51.451  1.8497 20.850   1.4919  20.003   2.5877  21.272   1.8260  50.022  3.3187 51.909  2.2439 -1.887012      4.006100 
1 1 1 12 5  64 o 32.943  2.5455 8.6416   1.3044  9.4035   2.1945  8.2254   1.6220  33.934  4.2161 31.968  3.2832 1.965117       5.343631 
1 1 1 12 5  65 o 41.167  2.6167 13.490   1.6799  11.888   2.3657  15.120   2.3860  38.235  4.0063 43.326  3.5440 -5.091137      5.348814 
1 1 1 12 5  66 o 15.394  4.9217 1.9179   1.3420  2.7977   1.8024  0.8235   2.0102  18.300  5.6845 14.175  5.7659 4.125331       8.096887 
1 1 1 12 5  67 o 49.667  2.1756 19.523   1.6939  19.823   2.2891  19.160   2.5184  49.766  2.9473 48.792  3.3121 0.9739876      4.433577 
1 1 1 12 5  68 o 27.522  3.0969 6.1364   1.3130  6.5580   1.6657  5.4446   2.1336  28.219  3.8670 25.060  5.5750 3.159349       6.784810 
1 1 1 12 5  69 o 58.355  1.9943 26.955   1.8244  27.216   2.2621  26.470   3.0859  58.485  2.4673 57.173  3.4593 1.312023       4.249005 
1 1 1 12 5  70 o 39.062  2.4080 12.193   1.4674  12.667   1.8755  11.444   2.3561  39.595  3.0449 37.171  4.1122 2.423870       5.116766 
1 1 1 12 5  71 o 22.825  4.2427 4.4161   1.4622  4.9158   1.6726  2.7966   3.0112  23.960  4.6206 19.064  7.2643 4.895756       8.609248 
1 1 1 12 5  72 o 8.3701  3.8692 -0.8611  1.1935  -1.6690  1.5876  0.1889   1.8099  8.9651  4.2449 12.260  5.2582 -3.295031      6.757829 
1 1 1 12 5  73 f 23.784  3.8097 4.7448   1.3725  5.1144   2.1750  4.5004   1.7692  23.791  5.8683 22.614  5.1108 1.177004       7.781880 
1 1 1 12 5  74 o 51.808  1.8599 21.291   1.5105  21.107   2.2397  21.445   2.0459  51.128  2.8051 51.739  2.5224 -0.6108360     3.772367 
1 1 1 12 5  75 o 25.493  2.9324 5.3140   1.1506  4.7352   1.7633  5.7431   1.5184  23.186  4.9982 26.161  3.8146 -2.974699      6.287497 
1 1 1 12 5  76 o 27.165  2.7812 6.0101   1.1677  7.0803   1.4160  3.7358   2.0643  29.368  3.1236 20.180  6.0479 9.188303       6.806912 
1 1 1 12 5  77 o 23.440  3.6940 4.6357   1.3125  4.3846   1.5180  5.3792   2.6123  22.434  4.4732 23.657  6.7256 -1.223490      8.077289 
1 1 1 12 5  78 o 29.974  4.1615 7.6876   1.9027  4.6811   2.5965  11.175   2.7962  21.917  6.8253 35.474  5.1809 -13.55764      8.568888 
1 1 1 12 5  79 o 16.747  5.9701 2.4727   1.9769  3.9934   3.1175  1.4499   2.5567  20.207  7.4557 15.504  6.4248 4.703817       9.842046 
1 1 1 12 6  0  o 185.615 1.9189 270.172  5.5823  270.172  5.5823  270.172  5.5823  185.615 1.9189 185.615 1.9189 0.000000       0.000000 
1 1 1 12 6  1  o 185.649 1.4010 270.188  4.0775  263.540  5.8722  276.378  5.6664  183.338 2.0431 187.753 1.9252 -4.415054      2.807224 
1 1 1 12 6  2  o 159.220 1.3100 198.732  3.2698  190.379  4.6523  206.887  4.5966  155.828 1.9044 162.445 1.8050 -6.617508      2.623914 
1 1 1 12 6  3  o 123.143 1.2270 118.873  2.3687  124.262  3.5347  114.481  3.1913  125.896 1.7910 120.841 1.6846 5.054771       2.458772 
1 1 1 12 6  4  o 148.525 1.3333 172.932  3.1045  183.346  4.5532  163.885  4.2438  152.923 1.8993 144.579 1.8724 8.343323       2.667055 
1 1 1 12 6  5  o 238.104 1.7571 444.475  6.5588  443.949  8.8513  445.115  9.7674  237.942 2.3729 238.245 2.6152 -0.3025360     3.531274 
1 1 1 12 6  6  o 169.998 1.5284 226.559  4.0732  230.910  5.7896  222.295  5.7315  171.609 2.1521 168.377 2.1714 3.232071       3.057167 
1 1 1 12 6  7  o 266.820 1.9950 558.190  8.3449  553.853  11.669  562.731  11.939  265.745 2.8010 267.865 2.8430 -2.119263      3.991050 
1 1 1 12 6  8  o 254.165 1.8391 506.479  7.3277  508.480  9.9237  504.079  10.866  254.641 2.4859 253.526 2.7340 1.115952       3.695229 
1 1 1 12 6  9  o 251.582 1.9284 496.252  7.6057  515.553  11.144  479.421  10.406  256.391 2.7725 247.248 2.6848 9.143280       3.859408 
1 1 1 12 6  10 o 281.629 2.1989 621.921  9.7081  624.875  14.628  619.595  12.978  282.233 3.3063 281.062 2.9454 1.171387       4.427968 
1 1 1 12 6  11 o 85.101  1.5960 56.777   2.1292  53.790   2.9502  60.025   3.0762  82.824  2.2721 87.494  2.2427 -4.669411      3.192565 
1 1 1 12 6  12 o 87.231  1.4329 59.653   1.9595  58.646   3.1171  60.311   2.5196  86.481  2.2992 87.707  1.8325 -1.225815      2.940152 
1 1 1 12 6  13 o 479.180 3.2473 1801.20  24.394  1772.59  38.016  1821.22  31.805  475.086 5.1044 481.707 4.2117 -6.620880      6.617607 
1 1 1 12 6  14 o 136.868 1.4451 146.859  3.1007  152.165  5.0572  143.663  3.9250  139.300 2.3158 135.363 1.8496 3.936707       2.963796 
1 1 1 12 6  15 o 197.014 1.5877 304.305  4.9038  306.004  7.3382  302.934  6.5917  197.538 2.3697 196.553 2.1393 0.9848785      3.192462 
1 1 1 12 6  16 o 237.824 1.7762 443.457  6.6222  460.553  10.159  430.823  8.7328  242.322 2.6741 234.386 2.3767 7.936386       3.577661 
1 1 1 12 6  17 o 130.293 1.3747 133.087  2.8078  131.602  4.1502  134.342  3.8130  129.550 2.0435 130.896 1.8582 -1.345871      2.762003 
1 1 1 12 6  18 o 39.986  1.8162 12.537   1.1385  12.988   1.5851  12.055   1.6363  40.618  2.5015 39.112  2.6850 1.506569       3.669683 
1 1 1 12 6  19 o 244.049 1.7265 466.980  6.6052  469.076  9.3731  464.913  9.3097  244.561 2.4448 243.474 2.4391 1.087296       3.453432 
1 1 1 12 6  20 o 49.319  1.6640 19.071   1.2865  20.609   1.9472  17.879   1.7139  51.262  2.4231 47.747  2.2898 3.514233       3.333812 
1 1 1 12 6  21 o 120.726 1.3467 114.261  2.5488  114.771  3.7789  113.836  3.4524  120.982 1.9925 120.492 1.8277 0.4899139      2.703774 
1 1 1 12 6  22 o 300.526 2.0896 708.235  9.8447  714.678  14.708  703.006  13.251  301.811 3.1086 299.362 2.8235 2.449524       4.199486 
1 1 1 12 6  23 o 189.238 1.5553 280.766  4.6138  280.372  6.8178  281.098  6.2668  189.077 2.3001 189.330 2.1114 -0.2526550     3.122288 
1 1 1 12 6  24 o 152.992 1.4326 183.508  3.4360  187.357  5.1617  180.445  4.6044  154.569 2.1302 151.697 1.9362 2.871918       2.878617 
1 1 1 12 6  25 o 152.067 1.3701 181.293  3.2661  176.789  4.5273  186.182  4.7166  150.152 1.9233 154.088 1.9526 -3.936554      2.740745 
1 1 1 12 6  26 o 130.262 1.3152 133.026  2.6858  139.602  3.9043  127.119  3.7004  133.430 1.8665 127.325 1.8539 6.105179       2.630738 
1 1 1 12 6  27 o 116.523 1.3545 106.448  2.4742  105.869  3.6383  106.947  3.3746  116.192 1.9974 116.786 1.8432 -0.5942612     2.717943 
1 1 1 12 6  28 o 245.668 1.6728 473.218  6.4424  475.178  8.7910  470.945  9.4684  246.142 2.2782 245.031 2.4649 1.111435       3.356516 
1 1 1 12 6  29 o 179.426 1.4525 252.408  4.0855  254.032  5.3752  250.186  6.2869  179.986 1.9050 178.603 2.2454 1.382858       2.944633 
1 1 1 12 6  30 o 270.649 1.8578 574.410  7.8826  583.843  10.436  561.879  12.028  272.820 2.4401 267.601 2.8672 5.218567       3.764925 
1 1 1 12 6  31 o 101.508 1.2682 80.781   2.0181  79.913   2.7092  81.864   3.0249  100.952 1.7119 102.173 1.8885 -1.221031      2.548920 
1 1 1 12 6  32 o 119.389 1.3042 111.751  2.4409  109.775  3.3528  113.980  3.5604  118.316 1.8076 120.559 1.8839 -2.242729      2.610834 
1 1 1 12 6  33 o 105.358 1.2603 87.027   2.0816  87.792   2.7970  86.078   3.1164  105.810 1.6862 104.767 1.8975 1.043571       2.538480 
1 1 1 12 6  34 o 192.204 1.5005 289.663  4.5210  286.556  5.8666  294.208  7.0943  191.147 1.9578 193.659 2.3368 -2.511795      3.048523 
1 1 1 12 6  35 o 170.282 1.4241 227.354  3.8017  224.582  4.9428  231.370  5.9485  169.221 1.8632 171.740 2.2094 -2.519150      2.890200 
1 1 1 12 6  36 o 199.390 1.5285 311.747  4.7778  312.070  6.2639  311.297  7.3882  199.465 2.0032 199.190 2.3660 0.2743835      3.100129 
1 1 1 12 6  37 o 238.541 1.6998 446.252  6.3566  443.434  8.2674  450.326  9.9415  237.742 2.2182 239.537 2.6474 -1.794525      3.453916 
1 1 1 12 6  38 o 180.550 1.4586 255.624  4.1284  250.529  5.3226  263.319  6.5409  178.715 1.8998 183.191 2.2776 -4.476273      2.965932 
1 1 1 12 6  39 o 197.344 1.5204 305.415  4.7036  308.912  6.2154  300.728  7.1954  198.435 1.9980 195.756 2.3447 2.678146       3.080517 
1 1 1 12 6  40 o 176.497 1.5105 244.307  4.1793  245.526  5.7057  242.897  6.1387  176.895 2.0575 175.931 2.2258 0.9645538      3.031073 
1 1 1 12 6  41 o 81.637  1.3900 52.266   1.7790  53.890   2.4517  50.460   2.5853  82.877  1.8870 80.189  2.0565 2.687943       2.791095 
1 1 1 12 6  42 o 104.541 1.3397 85.711   2.1956  85.065   2.9727  86.485   3.2568  104.123 1.8211 104.979 1.9789 -0.8556824     2.689368 
1 1 1 12 6  43 o 52.871  1.6452 21.931   1.3637  21.475   1.8564  22.465   2.0097  52.298  2.2643 53.484  2.3969 -1.186169      3.297317 
1 1 1 12 6  44 o 68.900  1.4232 37.239   1.5372  36.089   2.0595  38.686   2.3099  67.806  1.9375 70.194  2.0991 -2.388084      2.856574 
1 1 1 12 6  45 o 59.912  1.5003 28.162   1.4091  28.258   1.9347  28.054   2.0564  59.989  2.0572 59.764  2.1949 0.2251663      3.008258 
1 1 1 12 6  46 o 74.974  1.3853 44.100   1.6282  44.017   2.2236  44.195   2.3908  74.875  1.8944 75.016  2.0330 -0.1412354     2.778764 
1 1 1 12 6  47 o 36.754  1.8815 10.635   1.0805  10.601   1.5315  10.669   1.5245  36.611  2.6871 36.730  2.6658 -0.1194763     3.785149 
1 1 1 12 6  48 o 40.842  1.8696 13.101   1.1970  14.581   1.6356  11.393   1.7566  42.990  2.4370 37.915  2.9794 5.075188       3.849123 
1 1 1 12 6  49 o 99.608  1.2649 77.846   1.9752  77.279   2.8121  78.399   2.7751  99.193  1.8084 99.914  1.7717 -0.7206421     2.531663 
1 1 1 12 6  50 o 97.121  1.2638 74.013   1.9241  75.953   2.7689  72.202   2.6757  98.332  1.7962 95.876  1.7802 2.456673       2.528949 
1 1 1 12 6  51 o 56.453  1.4468 25.018   1.2804  26.821   1.8628  23.403   1.7629  58.410  2.0344 54.559  2.0611 3.851196       2.896000 
1 1 1 12 6  52 o 20.388  3.4133 3.3739   1.0524  3.2021   1.3713  3.6202   1.6415  19.674  4.5386 20.879  5.0664 -1.205091      6.802036 
1 1 1 12 6  53 f 46.663  1.6536 17.105   1.2096  17.235   1.8406  17.007   1.6049  46.703  2.5233 46.488  2.2022 0.2150040      3.349132 
1 1 1 12 6  54 o 190.509 1.7479 285.234  5.2201  285.483  7.7854  285.031  7.0360  190.283 2.6099 190.235 2.3593 0.4876709E-01  3.518221 
1 1 1 12 6  55 o 74.856  1.4498 44.006   1.7013  43.925   2.3401  44.096   2.4779  74.723  1.9977 74.852  2.1117 -0.1290359     2.906908 
1 1 1 12 6  56 o 51.826  1.5493 21.102   1.2587  18.161   1.7666  24.136   1.7940  48.007  2.3474 55.376  2.0665 -7.369656      3.127406 
1 1 1 12 6  57 o 42.268  1.7183 14.046   1.1386  17.061   1.7153  11.671   1.5223  46.462  2.3627 38.378  2.5447 8.084156       3.472483 
1 1 1 12 6  58 o 68.732  1.4409 37.112   1.5526  33.914   2.3254  39.685   2.0855  65.595  2.2614 71.019  1.8732 -5.423409      2.936430 
1 1 1 12 6  59 o 12.201  3.9752 1.1495   0.8727  0.3678   1.2485  1.8963   1.2203  11.051  4.5252 15.311  4.6638 -4.259999      6.498329 
1 1 1 12 6  60 o 12.018  4.0258 1.0911   0.8931  -0.6837  1.2849  2.7500   1.2422  9.1788  4.1556 18.158  4.4081 -8.979350      6.058060 
1 1 1 12 6  61 o 38.758  1.9681 11.866   1.1919  12.073   1.5235  11.540   1.9137  39.003  2.5049 37.967  3.2465 1.036278       4.100472 
1 1 1 12 6  62 o 116.863 1.5700 107.436  2.8763  108.888  3.5461  104.643  4.9180  117.544 1.9244 114.915 2.7300 2.628349       3.340078 
1 1 1 12 6  63 o 36.427  1.6633 10.447   0.9499  10.734   1.1243  9.7307   1.7756  36.843  1.9535 34.785  3.2954 2.057869       3.830879 
1 1 1 12 6  64 o 12.160  4.4897 0.9702   1.1309  1.6663   1.8042  0.5198   1.4513  15.477  5.6779 12.004  4.8929 3.473755       7.495208 
1 1 1 12 6  65 o 14.876  4.7048 1.7960   1.2288  1.6187   1.9433  1.9142   1.5862  15.597  5.8602 15.689  5.3646 -0.9216976E-01 7.944911 
1 1 1 12 6  66 o 62.769  1.7506 31.082   1.7226  29.832   2.5560  32.122   2.3316  61.237  2.6625 63.652  2.3366 -2.414692      3.542426 
1 1 1 12 6  67 o 21.012  3.5825 3.6533   1.1377  1.6484   2.0311  4.5701   1.3734  15.723  5.9720 23.467  3.8681 -7.744232      7.115268 
1 1 1 12 6  68 o 31.047  3.1069 7.8119   1.4918  6.7617   2.1582  8.7728   2.0645  28.105  5.0858 32.526  4.1429 -4.420851      6.559594 
1 1 1 12 6  69 o 49.209  2.2779 19.254   1.7573  19.451   2.6387  19.098   2.3556  48.894  3.4650 48.621  3.1067 0.2737808      4.653801 
1 1 1 12 6  70 o 33.685  2.9112 9.1827   1.5222  10.497   2.3626  8.2498   1.9904  35.384  4.3508 31.415  4.1427 3.969147       6.007658 
1 1 1 12 6  71 o 22.997  3.8774 4.4455   1.3481  2.9095   1.9034  5.9917   1.9097  18.258  5.8641 26.364  4.7974 -8.106342      7.576396 
1 1 1 12 6  72 o 32.656  2.7188 8.6226   1.3792  9.7017   1.8761  7.3534   2.0345  34.302  3.5396 29.334  4.5734 4.968525       5.783160 
1 1 1 12 6  73 o 29.918  3.2892 7.3607   1.5172  9.2508   2.3128  5.9328   2.0102  32.894  4.6117 25.981  5.1176 6.912703       6.888930 
1 1 1 12 6  74 o 35.201  2.7843 10.046   1.5239  9.9931   1.8036  10.176   2.8492  34.858  3.3414 33.862  5.5603 0.9953499      6.487089 
1 1 1 12 6  75 o 25.498  3.1902 5.3681   1.2473  5.5714   1.7262  5.1459   1.8043  25.387  4.5022 24.162  4.9304 1.225084       6.676750 
1 1 1 12 6  76 o 15.225  4.8496 2.0001   1.3039  2.0593   1.6052  1.8854   2.2355  15.619  5.3942 16.002  6.2167 -0.3827572     8.230720 
1 1 1 12 6  77 o 24.336  4.4076 5.1616   1.6196  4.9213   2.8141  5.2807   1.9805  22.275  7.1277 24.064  5.3845 -1.789665      8.932972 
1 1 1 12 6  78 o 12.406  5.0892 0.7676   1.5828  2.2387   2.7306  0.0232   1.9424  16.964  6.7835 12.059  5.3056 4.904376       8.611955 
1 1 1 12 7  0  o 116.789 1.6737 106.989  3.0629  106.989  3.0629  106.989  3.0629  116.789 1.6737 116.789 1.6737 0.000000       0.000000 
1 1 1 12 7  1  o 126.865 1.1954 126.169  2.3774  126.405  3.3513  125.930  3.3730  126.977 1.6836 126.738 1.6977 0.2386017      2.390939 
1 1 1 12 7  2  o 102.825 1.1833 82.883   1.9074  81.557   2.6630  84.280   2.7331  101.994 1.6655 103.682 1.6815 -1.688057      2.366739 
1 1 1 12 7  3  o 82.391  1.2016 53.214   1.5520  52.069   2.1627  54.430   2.2284  81.495  1.6929 83.322  1.7060 -1.827370      2.403369 
1 1 1 12 7  4  o 27.558  2.3080 5.9970   0.9879  4.3539   1.3645  7.8071   1.4322  23.243  3.8818 31.412  2.9427 -8.168777      4.871131 
1 1 1 12 7  5  o 268.550 1.7066 565.428  7.1848  565.766  10.173  565.092  10.149  268.598 2.4159 268.438 2.4117 0.1597290      3.413620 
1 1 1 12 7  6  o 128.976 1.2086 130.405  2.4437  132.040  3.4762  128.807  3.4360  129.774 1.7087 128.176 1.7100 1.598862       2.417355 
1 1 1 12 7  7  o 97.993  1.1945 75.278   1.8350  72.475   2.5409  78.333   2.6528  96.146  1.6858 99.956  1.6930 -3.810173      2.389169 
1 1 1 12 7  8  o 196.159 1.4028 301.658  4.3137  309.212  6.2116  294.622  5.9951  198.583 1.9953 193.842 1.9728 4.741074       2.805949 
1 1 1 12 7  9  o 229.462 1.5413 412.795  5.5445  415.642  7.8989  410.030  7.7846  230.228 2.1886 228.669 2.1716 1.558716       3.083109 
1 1 1 12 7  10 o 166.391 1.3990 217.048  3.6492  213.910  5.1034  220.333  5.2200  165.169 1.9710 167.630 1.9864 -2.460953      2.798312 
1 1 1 12 7  11 o 134.103 1.2588 140.982  2.6463  136.219  3.7966  145.482  3.6904  131.808 1.8374 136.218 1.7282 -4.410446      2.522418 
1 1 1 12 7  12 o 376.625 2.4042 1112.43  14.195  1128.83  22.302  1101.26  18.404  379.246 3.7512 374.660 3.1334 4.585968       4.887731 
1 1 1 12 7  13 o 48.474  1.6096 18.422   1.2231  20.259   1.8106  16.881   1.6589  50.827  2.2724 46.396  2.2808 4.431290       3.219577 
1 1 1 12 7  14 o 185.344 1.5383 269.327  4.4697  273.409  6.0943  264.574  6.5752  186.726 2.0819 183.676 2.2835 3.049652       3.090113 
1 1 1 12 7  15 o 97.148  1.4302 73.990   2.1782  74.609   3.0300  73.329   3.1334  97.544  1.9815 96.702  2.0669 0.8419647      2.863283 
1 1 1 12 7  16 o 178.297 1.6682 249.248  4.6629  242.480  6.0553  259.108  7.3090  175.842 2.1966 181.756 2.5652 -5.913544      3.377172 
1 1 1 12 7  17 o 43.438  2.0599 14.796   1.4028  14.130   1.8393  15.722   2.1687  42.350  2.7860 44.656  3.1174 -2.305939      4.180926 
1 1 1 12 7  18 o 79.320  1.5547 49.328   1.9332  52.611   2.5999  45.268   2.8913  81.910  2.0247 75.972  2.4276 5.938293       3.161161 
1 1 1 12 7  19 o 217.395 1.8589 370.575  6.3353  378.982  8.5737  360.463  9.4025  219.816 2.4880 214.360 2.7980 5.456177       3.744206 
1 1 1 12 7  20 o 81.430  1.4621 51.986   1.8664  50.815   2.5458  53.347   2.7443  80.499  2.0174 82.478  2.1224 -1.979362      2.928227 
1 1 1 12 7  21 o 64.620  1.5875 32.739   1.6082  34.785   2.2298  30.521   2.3216  66.601  2.1357 62.382  2.3740 4.218849       3.193274 
1 1 1 12 7  22 o 152.644 1.6003 182.685  3.8294  174.232  5.5157  190.551  5.3208  149.046 2.3606 155.877 2.1774 -6.830856      3.211472 
1 1 1 12 7  23 o 22.007  3.7548 3.9086   1.2489  2.9227   1.7189  5.0110   1.8177  19.064  5.4676 24.827  4.8440 -5.762995      7.304711 
1 1 1 12 7  24 o 158.229 1.5388 196.298  3.8171  196.931  5.3651  195.649  5.4320  158.464 2.1597 157.945 2.1938 0.5180511      3.078470 
1 1 1 12 7  25 o 187.663 1.8359 276.156  5.4012  276.936  6.8447  274.870  8.7933  187.906 2.3236 187.164 2.9969 0.7416077      3.792173 
1 1 1 12 7  26 o 68.651  1.6070 36.953   1.7295  35.343   2.4395  38.581   2.4524  67.127  2.3182 70.136  2.2305 -3.009590      3.216954 
1 1 1 12 7  27 o 258.973 2.0841 525.982  8.4610  541.066  13.017  514.948  11.134  262.567 3.1624 256.189 2.7722 6.378448       4.205461 
1 1 1 12 7  28 o 171.090 1.6722 229.525  4.4850  226.642  6.7103  231.853  6.0297  169.973 2.5183 171.930 2.2371 -1.957825      3.368473 
1 1 1 12 7  29 o 316.616 2.1867 786.269  10.854  790.439  14.781  781.391  15.989  317.367 2.9709 315.511 3.2326 1.856293       4.390421 
1 1 1 12 7  30 o 146.793 1.6117 168.964  3.7089  171.957  5.0716  165.522  5.4379  148.065 2.1849 145.258 2.3880 2.806656       3.236743 
1 1 1 12 7  31 o 100.712 1.4003 79.526   2.2108  76.892   2.9825  82.739   3.2938  99.017  1.9214 102.709 2.0457 -3.691635      2.806499 
1 1 1 12 7  32 o 167.707 1.5656 220.542  4.1162  218.993  5.3540  222.781  6.4366  167.094 2.0439 168.510 2.4366 -1.415436      3.180322 
1 1 1 12 7  33 o 198.897 1.6197 310.220  5.0502  313.049  6.9066  306.970  7.4034  199.765 2.2054 197.802 2.3875 1.962769       3.250242 
1 1 1 12 7  34 o 120.216 1.4000 113.318  2.6384  114.205  3.6170  112.309  3.8571  120.667 1.9121 119.656 2.0562 1.011635       2.807872 
1 1 1 12 7  35 o 34.448  2.4718 9.3600   1.3259  8.5790   1.8202  10.243   1.9354  32.848  3.5934 35.941  3.4785 -3.092686      5.001245 
1 1 1 12 7  36 o 56.253  1.6979 24.818   1.4973  25.694   2.0515  23.819   2.1903  57.223  2.2869 55.089  2.5362 2.133820       3.415061 
1 1 1 12 7  37 o 105.174 1.3896 86.742   2.2911  88.252   3.1325  85.005   3.3597  106.067 1.8839 104.089 2.0589 1.977432       2.790736 
1 1 1 12 7  38 f 247.403 1.9313 480.209  7.4905  498.996  10.988  463.897  10.238  252.073 2.7805 243.061 2.6870 9.011765       3.866628 
1 1 1 12 7  39 o 147.275 1.5146 170.118  3.4969  167.591  4.9219  172.694  4.9691  146.131 2.1485 148.340 2.1368 -2.208939      3.030172 
1 1 1 12 7  40 o 111.240 1.4532 97.057   2.5342  97.686   3.6591  96.476   3.5132  111.562 2.0922 110.874 2.0213 0.6879654      2.909094 
1 1 1 12 7  41 o 138.670 1.4820 150.839  3.2216  157.667  4.7274  144.918  4.4021  141.718 2.1279 135.874 2.0667 5.844604       2.966308 
1 1 1 12 7  42 o 101.252 1.4412 80.422   2.2876  77.649   3.2243  83.233   3.2461  99.450  2.0682 102.968 2.0110 -3.518463      2.884665 
1 1 1 12 7  43 o 70.781  1.5310 39.309   1.6988  38.795   2.4196  39.808   2.3857  70.280  2.1961 71.196  2.1375 -0.9157562     3.064637 
1 1 1 12 7  44 o 35.459  2.1073 9.9103   1.1661  11.782   1.6034  7.8093   1.6990  38.615  2.6651 31.279  3.5263 7.335867       4.420151 
1 1 1 12 7  45 o 48.205  1.7216 18.242   1.3010  16.648   1.7574  20.174   1.9352  45.951  2.4485 50.655  2.4370 -4.703636      3.454557 
1 1 1 12 7  46 o 118.930 1.3556 110.983  2.5274  110.459  3.4258  111.610  3.7439  118.597 1.8426 119.193 2.0037 -0.5959473     2.722101 
1 1 1 12 7  47 o 54.272  1.6535 23.126   1.4068  23.874   1.9487  22.311   2.0331  55.103  2.2559 53.256  2.4352 1.847046       3.319521 
1 1 1 12 7  48 o 64.712  1.7025 32.887   1.7272  33.646   2.5249  32.219   2.3679  65.387  2.4631 63.996  2.3603 1.391338       3.411426 
1 1 1 12 7  49 o 42.438  1.9639 14.155   1.3065  13.459   1.7505  15.032   1.9631  41.240  2.7230 43.569  2.8906 -2.328590      3.971163 
1 1 1 12 7  50 o 41.290  2.0057 13.404   1.2982  14.348   1.7784  12.327   1.8995  42.586  2.6775 39.395  3.1008 3.190887       4.096862 
1 1 1 12 7  51 o 84.325  1.4215 55.828   1.8792  54.660   2.4464  57.508   2.9348  83.389  1.8714 85.489  2.1898 -2.099869      2.880557 
1 1 1 12 7  52 o 31.840  2.3249 8.0252   1.1524  8.5482   1.5261  7.3313   1.7580  32.762  3.0049 30.167  3.8017 2.595095       4.845852 
1 1 1 12 7  53 o 74.316  1.4018 43.367   1.6331  44.150   2.2776  42.539   2.3429  74.922  1.9391 73.531  2.0325 1.391434       2.809159 
1 1 1 12 7  54 o 65.213  1.5041 33.406   1.5377  35.460   2.2416  31.581   2.1132  67.114  2.1306 63.338  2.1283 3.776539       3.011475 
1 1 1 12 7  55 o 33.538  2.0882 8.8893   1.0924  8.7003   1.5057  9.0995   1.5874  33.046  2.9371 33.784  3.0295 -0.7383194     4.219553 
1 1 1 12 7  56 o 118.693 1.3957 110.657  2.5969  107.076  3.6260  114.427  3.7210  116.634 1.9831 120.575 1.9686 -3.941002      2.794296 
1 1 1 12 7  57 o 47.025  1.8783 17.403   1.3847  17.145   1.7919  17.786   2.1817  46.544  2.4645 47.312  2.9563 -0.7674713     3.848849 
1 1 1 12 7  58 o 86.836  1.3306 59.232   1.8114  63.556   2.7378  55.865   2.4157  89.840  1.9439 84.251  1.8290 5.588654       2.669081 
1 1 1 12 7  59 o 68.335  1.4959 36.710   1.6025  34.000   2.5873  38.397   2.0412  65.589  2.5163 69.831  1.8646 -4.242149      3.131849 
1 1 1 12 7  60 o 38.551  1.9598 11.742   1.1805  15.025   2.1075  10.241   1.4250  43.377  3.1201 35.894  2.5491 7.482948       4.029020 
1 1 1 12 7  61 o 7.6455  3.4649 -0.4929  0.8958  0.6878   1.3894  -1.3329  1.1719  12.214  4.8535 7.7251  3.6546 4.488809       6.075539 
1 1 1 12 7  62 o 33.426  1.8748 8.8368   0.9785  11.156   1.5015  7.1249   1.2900  37.433  2.5743 29.830  2.7909 7.603123       3.796839 
1 1 1 12 7  63 o 39.782  1.8609 12.484   1.1606  12.534   1.4971  12.407   1.8371  39.706  2.4166 39.354  3.0004 0.3519897      3.852603 
1 1 1 12 7  64 o 21.250  2.7241 3.6479   0.8866  3.9072   1.0792  3.1096   1.5549  21.876  3.2454 19.090  5.0990 2.785433       6.044220 
1 1 1 12 7  65 o 41.142  2.4566 13.489   1.5772  15.579   2.2455  11.454   2.2157  43.952  3.2826 37.454  3.8274 6.497681       5.042273 
1 1 1 12 7  66 o 15.131  4.7623 1.8897   1.2603  4.5088   1.7187  -1.1570  1.8537  22.935  4.9272 10.597  4.8708 12.33791       6.928355 
1 1 1 12 7  67 f 25.107  3.1439 5.1420   1.2103  4.8511   1.7726  5.3961   1.6565  23.750  4.9226 25.314  4.3299 -1.564320      6.555885 
1 1 1 12 7  68 o 14.314  4.4704 1.7027   1.1130  2.6754   1.7461  1.0370   1.4445  17.665  5.6105 12.988  5.0108 4.676353       7.522363 
1 1 1 12 7  69 o 13.207  4.4123 1.3968   1.0728  3.9353   1.7605  -0.1026  1.3530  21.109  5.3215 10.265  4.4742 10.84363       6.952461 
1 1 1 12 7  70 o 31.531  2.8719 8.0653   1.4041  10.342   1.9349  5.5334   2.0405  35.449  3.5287 25.017  5.3639 10.43175       6.420565 
1 1 1 12 7  71 o 77.252  1.9284 47.384   2.3354  46.929   3.1225  47.960   3.5185  76.480  2.6043 77.094  2.9113 -0.6139221     3.906148 
1 1 1 12 7  72 o 18.264  5.0079 2.9481   1.4767  3.0249   1.9600  2.8473   2.2459  18.441  5.9535 18.160  6.3744 0.2817955      8.722255 
1 1 1 12 7  73 o 26.523  3.7225 5.8948   1.5052  5.6085   2.0104  6.2600   2.2705  25.092  5.2782 26.318  5.6704 -1.226826      7.746823 
1 1 1 12 7  74 o 10.929  4.8607 -0.3079  1.6737  1.1082   2.6828  -1.2102  2.1416  15.494  6.5127 11.223  5.1862 4.270553       8.325404 
1 1 1 12 7  75 o 21.483  5.2085 4.1709   1.7360  6.8317   2.3078  0.7031   2.6346  27.428  5.5576 14.746  6.3347 12.68202       8.427101 
1 1 1 12 7  76 o 18.775  5.8739 3.2715   1.9206  4.3325   2.7738  2.2942   2.6620  21.008  7.0945 17.109  6.7435 3.899027       9.788083 
1 1 1 12 7  77 o 17.851  5.8742 2.9604   1.9039  4.0643   2.7649  1.9652   2.6254  20.250  7.0747 16.357  6.6123 3.893375       9.683653 
1 1 1 12 8  0  o 243.386 2.4382 464.579  9.3010  464.579  9.3010  464.579  9.3010  243.386 2.4382 243.386 2.4382 0.000000       0.000000 
1 1 1 12 8  1  o 146.945 1.4152 169.286  3.2600  170.206  4.8603  168.533  4.3954  147.327 2.1044 146.607 1.9125 0.7200470      2.843595 
1 1 1 12 8  2  o 184.477 1.4743 266.807  4.2638  259.587  5.9067  274.662  6.1611  181.945 2.0709 187.152 2.1000 -5.207108      2.949293 
1 1 1 12 8  3  o 337.997 2.1980 895.885  11.647  897.110  16.493  894.666  16.449  338.149 3.1112 337.688 3.1073 0.4606628      4.397115 
1 1 1 12 8  4  o 138.309 1.3305 149.967  2.8849  146.578  4.0403  153.492  4.1206  136.725 1.8850 139.912 1.8786 -3.187332      2.661318 
1 1 1 12 8  5  o 118.472 1.2989 110.034  2.4125  110.971  3.4360  109.123  3.3880  118.965 1.8424 117.971 1.8319 0.9943695      2.598155 
1 1 1 12 8  6  o 160.095 1.3857 200.938  3.4779  198.087  4.8766  203.888  4.9614  158.941 1.9572 161.251 1.9627 -2.310226      2.771744 
1 1 1 12 8  7  o 98.332  1.2955 75.804   1.9971  76.971   2.8537  74.683   2.7957  99.078  1.8373 97.595  1.8273 1.482895       2.591291 
1 1 1 12 8  8  o 180.552 1.4621 255.576  4.1385  258.872  5.9004  252.383  5.8062  181.693 2.0715 179.402 2.0645 2.291214       2.924611 
1 1 1 12 8  9  o 87.847  1.3779 60.501   1.8975  60.088   2.5442  61.019   2.8486  87.540  1.8539 88.212  2.0599 -0.6714783     2.771281 
1 1 1 12 8  10 o 201.578 1.6070 318.584  5.0783  324.023  7.6067  314.210  6.8209  203.259 2.3872 200.168 2.1737 3.091721       3.228561 
1 1 1 12 8  11 o 181.976 1.4656 259.625  4.1812  260.570  5.9306  258.690  5.8956  182.287 2.0753 181.628 2.0706 0.6586151      2.931620 
1 1 1 12 8  12 o 110.698 1.3611 96.070   2.3620  97.064   3.5715  95.298   3.1490  111.256 2.0478 110.244 1.8220 1.011452       2.741011 
1 1 1 12 8  13 o 123.615 1.3014 119.795  2.5219  122.187  3.6087  117.512  3.5258  124.831 1.8441 122.420 1.8372 2.410912       2.603034 
1 1 1 12 8  14 o 147.393 1.4170 170.321  3.2741  165.823  4.3521  176.185  4.9697  145.421 1.9091 149.889 2.1150 -4.468002      2.849145 
1 1 1 12 8  15 o 175.439 1.5115 241.315  4.1570  232.318  5.4705  253.608  6.3950  172.121 2.0274 179.825 2.2685 -7.703873      3.042435 
1 1 1 12 8  16 o 41.723  1.8333 13.650   1.1991  12.725   1.6819  14.606   1.7101  40.187  2.6852 43.077  2.5436 -2.890335      3.698673 
1 1 1 12 8  17 o 43.889  1.9124 15.105   1.3158  12.209   1.9069  17.737   1.8180  39.322  3.1190 47.490  2.4503 -8.168205      3.966317 
1 1 1 12 8  18 o 273.339 1.9572 585.887  8.3868  576.406  11.181  598.083  12.682  271.072 2.6311 276.096 2.9300 -5.024323      3.937974 
1 1 1 12 8  19 o 201.790 1.6199 319.267  5.1244  315.265  6.8615  324.314  7.7056  200.497 2.1830 203.341 2.4173 -2.844452      3.257124 
1 1 1 12 8  20 o 229.656 1.7456 413.556  6.2847  419.513  8.6100  406.763  9.1947  231.269 2.3748 227.714 2.5757 3.554779       3.503420 
1 1 1 12 8  21 o 63.291  1.5699 31.407   1.5576  33.279   2.1270  29.243   2.2873  65.142  2.0828 61.059  2.3895 4.083035       3.169846 
1 1 1 12 8  22 o 87.385  1.4168 59.869   1.9409  60.633   2.6366  58.964   2.8675  87.932  1.9127 86.709  2.1095 1.222824       2.847527 
1 1 1 12 8  23 o 176.580 1.5986 244.483  4.4252  245.620  5.7130  242.777  6.9965  176.972 2.0592 175.920 2.5369 1.051788       3.267505 
1 1 1 12 8  24 o 115.094 1.4577 103.860  2.6301  100.987  3.3319  108.609  4.2839  113.480 1.8729 117.671 2.3223 -4.190453      2.983425 
1 1 1 12 8  25 o 137.733 1.5685 148.746  3.3868  151.248  4.5557  145.655  5.0638  138.869 2.0927 136.266 2.3705 2.603287       3.162017 
1 1 1 12 8  26 o 233.560 1.9565 427.810  7.1636  425.955  9.5549  430.191  10.825  233.004 2.6158 234.129 2.9494 -1.125488      3.942279 
1 1 1 12 8  27 o 263.511 2.2431 544.675  9.2662  532.703  12.802  557.849  13.429  260.508 3.1347 266.576 3.2135 -6.068115      4.489240 
1 1 1 12 8  28 o 51.143  2.0294 20.515   1.6271  21.427   2.1783  19.364   2.4472  52.187  2.6715 49.565  3.1660 2.621586       4.142520 
1 1 1 12 8  29 o 151.643 1.5285 180.313  3.6337  179.876  5.1183  180.758  5.1597  151.431 2.1560 151.801 2.1682 -0.3702545     3.057698 
1 1 1 12 8  30 o 36.400  2.5733 10.449   1.4589  10.893   1.9152  9.8350   2.2519  37.096  3.3287 35.126  4.1710 1.969906       5.336479 
1 1 1 12 8  31 o 122.382 1.4853 117.444  2.8497  118.721  3.6712  115.507  4.5200  123.031 1.9034 121.332 2.3763 1.698662       3.044664 
1 1 1 12 8  32 o 101.023 1.4705 80.028   2.3288  77.016   2.7471  87.720   4.3902  99.095  1.7683 105.719 2.6490 -6.623909      3.185003 
1 1 1 12 8  33 o 40.887  2.1451 13.152   1.3702  13.956   1.7115  11.717   2.2864  42.086  2.6070 38.415  3.8484 3.670624       4.648242 
1 1 1 12 8  34 o 272.447 1.9702 582.309  8.4149  583.936  10.569  579.491  13.908  272.761 2.4716 271.587 3.2667 1.174622       4.096401 
1 1 1 12 8  35 o 64.961  1.5889 33.097   1.6181  33.628   2.0348  32.183   2.6686  65.469  1.9826 64.024  2.6588 1.445053       3.316620 
1 1 1 12 8  36 o 138.052 1.5032 149.473  3.2532  150.478  4.2164  147.995  5.1138  138.488 1.9421 137.308 2.3757 1.180710       3.068510 
1 1 1 12 8  37 o 127.357 1.4832 127.216  2.9613  130.166  3.8725  123.062  4.5954  128.798 1.9179 125.202 2.3413 3.596054       3.026566 
1 1 1 12 8  38 o 86.423  1.5085 58.587   2.0438  57.853   2.6129  59.743   3.2802  85.860  1.9413 87.224  2.3989 -1.363564      3.085986 
1 1 1 12 8  39 o 188.068 1.5812 277.482  4.6617  275.957  6.2884  279.344  6.9460  187.482 2.1396 188.598 2.3493 -1.115784      3.177581 
1 1 1 12 8  40 o 29.800  2.6991 7.0371   1.2472  5.9039   1.7065  8.3365   1.8273  27.046  4.1579 32.322  3.6714 -5.276171      5.546849 
1 1 1 12 8  41 f 72.939  1.5752 41.745   1.8012  43.309   2.4202  39.802   2.6967  74.263  2.0788 71.170  2.4171 3.093483       3.188067 
1 1 1 12 8  42 o 39.334  2.1882 12.192   1.3440  14.409   1.8407  9.6611   1.9669  42.709  2.7640 34.809  3.6592 7.899857       4.585828 
1 1 1 12 8  43 o 47.455  1.8883 17.685   1.4048  15.871   1.8777  19.989   2.1171  44.835  2.6839 50.333  2.6928 -5.498901      3.801931 
1 1 1 12 8  44 f 92.737  1.4433 67.491   2.0983  70.499   2.8024  63.653   3.1654  94.742  1.8869 89.986  2.2439 4.755379       2.931776 
1 1 1 12 8  45 o 94.986  1.4812 70.815   2.2055  66.679   3.0155  75.573   3.2342  92.109  2.0884 98.057  2.1039 -5.948700      2.964414 
1 1 1 12 8  46 o 136.091 1.4858 145.384  3.1699  144.464  4.4986  146.291  4.4674  135.558 2.1169 136.417 2.0890 -0.8595276     2.974054 
1 1 1 12 8  47 o 81.442  1.5882 52.083   2.0277  54.739   3.2131  50.326   2.6140  83.388  2.4579 80.004  2.0842 3.384323       3.222610 
1 1 1 12 8  48 o 100.656 1.4576 79.543   2.3001  79.219   3.3230  79.841   3.1869  100.361 2.1121 100.770 2.0174 -0.4084854     2.920711 
1 1 1 12 8  49 o 11.077  4.3943 0.5295   1.1372  0.6042   1.7039  0.4695   1.5270  13.119  5.3186 12.284  5.0143 0.8349562      7.309611 
1 1 1 12 8  50 o 56.454  1.7673 25.048   1.5641  25.005   2.3823  25.081   2.0736  56.304  2.6990 56.433  2.3439 -0.1291809     3.574715 
1 1 1 12 8  51 o 37.470  2.3006 11.099   1.3448  11.573   2.0340  10.731   1.7926  38.068  3.4457 36.705  3.1457 1.363068       4.665637 
1 1 1 12 8  52 o 10.812  4.2562 0.5415   1.0592  0.2629   1.6007  0.7586   1.4128  12.094  5.0536 12.535  4.9216 -0.4410009     7.054189 
1 1 1 12 8  53 o 60.864  1.5785 29.109   1.5062  27.867   2.3359  29.994   1.9705  59.437  2.5069 61.730  2.0362 -2.292816      3.229689 
1 1 1 12 8  54 o 13.991  4.2628 1.5723   1.0193  2.8972   1.4964  0.4255   1.3923  18.657  5.0104 11.700  4.7833 6.956861       6.927075 
1 1 1 12 8  55 o 24.254  2.7494 4.7083   1.0269  4.8092   1.5043  4.6202   1.4053  24.224  4.1082 23.779  3.9053 0.4444523      5.668268 
1 1 1 12 8  56 o 42.782  1.8794 14.408   1.2605  14.897   1.8199  13.956   1.7474  43.326  2.6929 41.933  2.6721 1.392872       3.793653 
1 1 1 12 8  57 o 6.5457  3.1716 -1.6578  1.0066  -0.4103  1.4686  -2.7632  1.3824  10.372  4.5860 7.2218  3.5457 3.150085       5.796841 
1 1 1 12 8  58 o 23.042  3.0061 4.2821   1.0600  3.7752   1.4644  4.8399   1.5363  21.265  4.5315 24.232  4.1962 -2.967754      6.175947 
1 1 1 12 8  59 o 31.711  2.5752 8.0112   1.2691  8.0234   1.5095  7.9818   2.3440  31.626  3.0840 30.990  4.9946 0.6359501      5.870028 
1 1 1 12 8  60 o 56.836  1.6076 25.427   1.4324  25.335   1.8933  25.549   2.1904  56.644  2.1321 56.813  2.4594 -0.1695099     3.254932 
1 1 1 12 8  61 o 46.736  2.0102 17.244   1.4728  17.361   2.2280  17.153   1.9628  46.580  3.0684 46.402  2.7100 0.1775360      4.093815 
1 1 1 12 8  62 o 31.707  2.1856 7.9893   1.0797  6.0690   1.4864  10.135   1.5711  27.281  3.5603 35.574  2.8409 -8.292843      4.554845 
1 1 1 12 8  63 o 14.150  4.0918 1.6628   0.9591  1.7422   1.3393  1.5791   1.3742  14.816  4.9294 14.395  4.9900 0.4211702      7.014160 
1 1 1 12 8  64 o 29.943  1.9721 7.1205   0.9205  8.0765   1.4177  6.4238   1.2103  31.673  2.8870 28.251  2.7684 3.422096       3.999885 
1 1 1 12 8  65 o 30.156  2.3643 7.2711   1.1088  6.6636   1.4318  8.1813   1.7524  28.608  3.2502 31.610  3.6007 -3.001186      4.850638 
1 1 1 12 8  66 o 35.613  2.3559 10.136   1.3079  8.7705   1.8473  11.508   1.8519  32.664  3.6711 37.676  3.1648 -5.012058      4.846917 
1 1 1 12 8  67 o 14.429  4.6086 1.7250   1.1769  2.6696   1.7511  0.9470   1.5893  17.618  5.6211 13.120  5.1981 4.497788       7.656129 
1 1 1 12 8  68 o 51.686  2.0667 21.228   1.6745  21.349   2.2541  21.079   2.5016  51.469  2.8042 50.963  3.1466 0.5061569      4.214765 
1 1 1 12 8  69 o 15.531  4.6823 2.0684   1.2346  3.9391   1.9388  0.7927   1.6012  20.899  5.7414 12.751  5.1606 8.148376       7.719799 
1 1 1 12 8  70 o 49.665  1.9954 19.611   1.5535  15.990   2.3959  22.237   2.0407  44.089  3.4951 52.688  2.4706 -8.599247      4.280160 
1 1 1 12 8  71 o 77.362  1.6656 47.398   2.0200  48.191   3.1924  46.869   2.6086  77.414  2.6306 76.654  2.1708 0.7597351      3.410575 
1 1 1 12 8  72 o 32.560  2.5319 8.5643   1.2822  10.266   2.1495  7.6246   1.5975  34.936  3.9967 30.341  3.4182 4.594376       5.259038 
1 1 1 12 8  73 o 11.963  4.8239 0.7310   1.3935  0.2807   1.9105  1.2427   2.0368  12.515  5.3859 14.469  5.8330 -1.953951      7.939207 
1 1 1 12 8  74 o 13.561  4.9948 1.3997   1.3982  -0.1894  1.9172  3.2055   2.0437  11.776  5.2215 18.660  6.0836 -6.884027      8.017095 
1 1 1 12 8  75 o 22.322  6.2199 4.7886   2.2577  5.5330   3.6239  4.3165   2.8862  22.879  8.0909 20.870  7.2318 2.008593       10.85179 
1 1 1 12 8  76 o 17.945  5.9691 3.0196   1.9639  0.8783   3.4445  4.0511   2.3906  15.968  7.0437 20.263  6.5783 -4.294426      9.637796 
1 1 1 12 9  0  o 315.626 2.9564 781.392  14.625  781.392  14.625  781.392  14.625  315.626 2.9564 315.626 2.9564 0.000000       0.000000 
1 1 1 12 9  1  o 262.179 1.8249 538.983  7.5006  554.089  10.863  525.217  10.370  265.778 2.6071 258.764 2.5563 7.013550       3.651227 
1 1 1 12 9  2  o 90.591  1.3429 64.340   1.9071  64.262   2.6909  64.419   2.7032  90.528  1.8961 90.638  1.9025 -0.1102600     2.686010 
1 1 1 12 9  3  o 250.807 1.7688 493.231  6.9547  495.135  9.8686  491.351  9.8025  251.248 2.5055 250.287 2.4983 0.9613800      3.538247 
1 1 1 12 9  4  o 150.299 1.3822 177.102  3.2568  180.170  4.6457  174.139  4.5669  151.579 1.9550 149.020 1.9549 2.558563       2.764721 
1 1 1 12 9  5  o 228.939 1.6737 410.957  6.0068  406.764  8.4226  415.298  8.5691  227.734 2.3592 230.110 2.3755 -2.375839      3.347916 
1 1 1 12 9  6  o 98.768  1.3295 76.479   2.0586  77.870   2.9582  75.172   2.8665  99.653  1.8936 97.912  1.8675 1.741234       2.659547 
1 1 1 12 9  7  o 77.117  1.4027 46.625   1.6958  46.897   2.4090  46.358   2.3875  77.334  1.9871 76.888  1.9808 0.4455338      2.805707 
1 1 1 12 9  8  o 188.850 1.5103 279.618  4.4714  277.624  6.2971  281.646  6.3503  188.151 2.1349 189.509 2.1375 -1.357651      3.021059 
1 1 1 12 9  9  o 143.983 1.4843 162.538  3.3502  161.474  4.7207  163.617  4.7553  143.494 2.0986 144.443 2.1001 -0.9489746     2.968871 
1 1 1 12 9  10 o 87.143  1.3518 59.535   1.8467  56.854   2.5805  62.350   2.6439  85.149  1.9331 89.170  1.8913 -4.021408      2.704461 
1 1 1 12 9  11 o 192.279 1.5261 289.870  4.6001  292.232  6.5576  287.582  6.4546  193.035 2.1670 191.494 2.1501 1.541061       3.052672 
1 1 1 12 9  12 o 404.434 2.5639 1283.06  16.256  1296.14  23.245  1270.55  22.740  406.333 3.6492 402.308 3.6057 4.024750       5.130082 
1 1 1 12 9  13 f 116.573 1.4046 106.542  2.5669  106.912  3.4521  106.083  3.8390  116.765 1.8859 116.305 2.1056 0.4594879      2.826648 
1 1 1 12 9  14 o 102.242 1.3175 81.954   2.1117  84.386   3.0346  79.671   2.9404  103.737 1.8660 100.797 1.8608 2.939636       2.635292 
1 1 1 12 9  15 o 162.644 1.4893 207.403  3.7974  208.758  5.1650  205.809  5.6023  163.156 2.0193 161.992 2.2061 1.164185       2.990727 
1 1 1 12 9  16 o 223.685 1.7299 392.333  6.0663  398.461  9.1230  387.476  8.1220  225.374 2.5821 222.262 2.3310 3.111786       3.478657 
1 1 1 12 9  17 o 147.532 1.3831 170.647  3.1989  165.055  4.4135  176.835  4.6432  145.077 1.9406 150.165 1.9724 -5.086990      2.766976 
1 1 1 12 9  18 o 123.352 1.3409 119.293  2.5929  120.754  3.6911  117.870  3.6432  124.090 1.8974 122.600 1.8955 1.490547       2.682025 
1 1 1 12 9  19 o 169.938 1.4485 226.424  3.8590  231.264  5.5252  221.815  5.3921  171.721 2.0525 168.176 2.0452 3.544006       2.897500 
1 1 1 12 9  20 o 202.017 1.5677 319.994  4.9650  327.651  7.1468  312.851  6.9026  204.385 2.2305 199.717 2.2047 4.667633       3.136213 
1 1 1 12 9  21 o 87.769  1.4479 60.399   1.9921  61.324   2.7152  59.320   2.9320  88.428  1.9586 86.966  2.1506 1.461235       2.908814 
1 1 1 12 9  22 o 53.603  1.7728 22.532   1.4897  21.629   2.0187  23.612   2.2073  52.507  2.4525 54.860  2.5666 -2.352604      3.549973 
1 1 1 12 9  23 o 98.697  1.4892 76.378   2.3042  73.698   3.1571  79.434   3.3707  96.935  2.0776 100.634 2.1366 -3.699432      2.980148 
1 1 1 12 9  24 o 272.841 1.9701 583.846  8.4265  593.180  11.564  573.281  12.304  274.944 2.6830 270.267 2.9040 4.676300       3.953687 
1 1 1 12 9  25 o 281.522 2.0167 621.623  8.9003  611.140  11.857  635.154  13.471  279.066 2.7103 284.456 3.0208 -5.390015      4.058443 
1 1 1 12 9  26 o 72.875  1.6113 41.646   1.8409  45.710   2.4474  36.350   2.7936  76.339  2.0451 68.060  2.6182 8.278648       3.322273 
1 1 1 12 9  27 o 142.870 1.5204 160.060  3.4053  158.600  4.7578  161.593  4.8760  142.190 2.1344 143.523 2.1671 -1.333588      3.041756 
1 1 1 12 9  28 o 128.847 1.4297 130.176  2.8878  129.362  3.8873  131.178  4.3137  128.424 1.9309 129.312 2.1279 -0.8888550     2.873374 
1 1 1 12 9  29 o 107.669 1.4887 90.905   2.5128  91.718   3.5725  90.108   3.5350  108.126 2.1076 107.173 2.1040 0.9531021      2.978070 
1 1 1 12 9  30 o 75.760  1.6097 45.012   1.9118  46.067   2.4628  43.413   3.0326  76.630  2.0501 74.370  2.6012 2.259689       3.311959 
1 1 1 12 9  31 o 179.958 1.6423 253.994  4.6332  253.820  5.9588  254.262  7.3680  179.861 2.1133 179.972 2.6115 -0.1102142     3.359490 
1 1 1 12 9  32 o 10.140  4.3718 -0.1373  1.2634  1.6074   1.6030  -2.9988  2.0529  15.269  5.3831 9.7029  4.6578 5.566486       7.118519 
1 1 1 12 9  33 o 168.803 1.8932 223.554  5.0098  221.176  6.5471  226.913  7.7816  167.847 2.4882 169.959 2.9206 -2.112183      3.836781 
1 1 1 12 9  34 o 168.825 1.7725 223.603  4.6912  224.872  5.9622  221.542  7.6012  169.258 2.2470 167.923 2.8875 1.334839       3.658754 
1 1 1 12 9  35 o 185.030 1.9699 268.675  5.7141  269.672  7.5907  267.372  8.6804  185.288 2.6132 184.435 3.0022 0.8538513      3.980231 
1 1 1 12 9  36 o 100.979 1.7509 80.009   2.7718  77.823   3.6211  83.103   4.3074  99.551  2.3203 102.842 2.6717 -3.291153      3.538599 
1 1 1 12 9  37 o 38.370  2.3649 11.608   1.4156  13.005   1.9792  10.145   2.0255  40.538  3.1388 35.700  3.6715 4.837963       4.830315 
1 1 1 12 9  38 o 119.534 1.4911 112.101  2.7941  114.160  3.6454  109.167  4.3503  120.590 1.9283 117.879 2.3541 2.711182       3.043096 
1 1 1 12 9  39 o 36.314  2.3196 10.403   1.3136  8.2839   1.7104  13.451   2.0511  32.243  3.4369 41.208  3.2002 -8.964619      4.696100 
1 1 1 12 9  40 o 30.184  2.6539 7.2208   1.2430  8.2473   1.6331  5.8072   1.9165  32.187  3.2825 26.682  4.7562 5.505075       5.778957 
1 1 1 12 9  41 o 65.580  1.7568 33.767   1.8062  34.750   2.5098  32.711   2.6012  66.479  2.4083 64.484  2.5731 1.994835       3.524313 
1 1 1 12 9  42 o 51.068  1.9798 20.489   1.5850  19.984   2.2046  21.029   2.2803  50.299  2.8070 51.598  2.8299 -1.298996      3.985932 
1 1 1 12 9  43 o 103.005 1.5380 83.290   2.4835  82.672   3.6156  83.843   3.4172  102.535 2.2493 103.278 2.1106 -0.7432556     3.084494 
1 1 1 12 9  44 o 172.992 1.8147 235.098  4.9215  244.271  7.0420  226.341  6.8807  176.142 2.5502 169.543 2.5888 6.599182       3.633963 
1 1 1 12 9  45 o 79.211  1.6863 49.283   2.0939  53.545   2.9809  45.131   2.9421  82.491  2.3050 75.710  2.4788 6.780975       3.384943 
1 1 1 12 9  46 o 77.014  1.8986 46.620   2.2922  48.736   3.0502  43.876   3.4743  78.665  2.4734 74.561  2.9724 4.103577       3.866848 
1 1 1 12 9  47 o 59.177  1.6810 27.513   1.5594  26.489   2.0033  29.088   2.4842  58.017  2.2026 60.747  2.6086 -2.730556      3.414135 
1 1 1 12 9  48 o 128.440 1.4966 129.561  3.0134  128.493  3.8580  131.231  4.8259  127.827 1.9252 129.070 2.3851 -1.242943      3.065147 
1 1 1 12 9  49 o 89.503  1.4742 62.918   2.0685  64.149   2.7002  61.169   3.2181  90.313  1.9071 88.118  2.3296 2.195313       3.010695 
1 1 1 12 9  50 o 51.214  1.6818 20.616   1.3503  22.521   1.8626  18.506   1.9602  53.474  2.2219 48.362  2.5949 5.111683       3.416226 
1 1 1 12 9  51 o 73.809  1.4869 42.798   1.7205  44.170   2.3338  41.165   2.5462  74.916  1.9872 72.283  2.2470 2.633789       2.999675 
1 1 1 12 9  52 o 23.547  3.0141 4.4578   1.0871  2.6818   1.5328  6.2552   1.5420  18.015  5.1621 27.830  3.6200 -9.814878      6.304940 
1 1 1 12 9  53 o 28.138  2.6156 6.3070   1.1406  6.9762   1.7375  5.8003   1.5119  29.344  3.8717 26.753  3.7043 2.590424       5.358352 
1 1 1 12 9  54 o 53.649  1.6942 22.638   1.4249  24.678   2.1895  21.140   1.8767  55.900  2.4985 51.766  2.3126 4.134354       3.404500 
1 1 1 12 9  55 o 89.885  1.4227 63.494   2.0047  63.775   3.0246  63.274   2.6773  89.936  2.1453 89.637  1.9053 0.2986145      2.869210 
1 1 1 12 9  56 o 34.261  2.2371 9.3028   1.1950  8.9561   1.8269  9.5621   1.5798  33.335  3.5505 34.601  2.9403 -1.265930      4.609913 
1 1 1 12 9  57 o 79.877  1.4515 50.167   1.8175  49.990   2.7457  50.306   2.4249  79.574  2.2010 79.890  1.9362 -0.3158417     2.931424 
1 1 1 12 9  58 o 35.510  2.0438 9.9822   1.1329  9.8794   1.6300  10.078   1.5758  35.129  2.9882 35.516  2.8543 -0.3867111     4.132351 
1 1 1 12 9  59 o 39.348  1.8948 12.212   1.1688  13.879   1.6812  10.652   1.6261  41.761  2.5807 36.497  2.8652 5.263870       3.856069 
1 1 1 12 9  60 o 42.306  1.8312 14.118   1.2145  13.495   1.7446  14.704   1.6917  41.119  2.7218 42.982  2.5217 -1.862541      3.710435 
1 1 1 12 9  61 o 82.866  1.3819 54.037   1.7952  57.289   2.6003  51.075   2.4815  85.159  1.9478 80.401  1.9688 4.757545       2.769485 
1 1 1 12 9  62 o 61.971  1.5956 30.274   1.5501  30.474   2.0639  30.016   2.3477  62.039  2.1221 61.473  2.4361 0.5666618      3.230809 
1 1 1 12 9  63 o 29.788  2.5418 7.1145   1.1756  6.6598   1.8965  7.3983   1.4982  28.182  4.4395 30.183  3.2159 -2.001339      5.481835 
1 1 1 12 9  64 o 32.217  2.0995 8.2661   1.0546  8.5524   1.5461  8.0169   1.4422  32.488  3.0721 31.484  2.9567 1.004181       4.263777 
1 1 1 12 9  65 o 55.841  1.4677 24.596   1.2848  27.005   1.9829  22.853   1.6868  58.294  2.1699 53.680  2.0044 4.614243       2.953993 
1 1 1 12 9  66 o 9.6066  3.9820 0.2640   0.9825  0.1909   1.2347  0.3902   1.6220  10.397  4.3968 12.057  5.0658 -1.659802      6.707711 
1 1 1 12 9  67 o 16.409  4.5901 2.3312   1.2270  1.5564   1.7590  3.0657   1.7125  14.762  5.5694 18.601  5.4932 -3.838469      7.822641 
1 1 1 12 9  68 o 10.762  4.5105 0.3083   1.2807  -0.4438  1.7236  1.2352   1.9135  10.946  4.8958 14.336  5.6961 -3.390964      7.510957 
1 1 1 12 9  69 o 30.973  3.0226 7.8414   1.4489  9.0818   1.9857  6.4288   2.1190  32.912  3.9260 26.964  5.2015 5.948551       6.516821 
1 1 1 12 9  70 o 23.017  4.0259 4.5173   1.3998  4.7481   1.8901  4.2369   2.0831  22.977  5.3475 21.425  5.9763 1.552523       8.019464 
1 1 1 12 9  71 o 8.7834  4.0638 -0.9019  1.3210  -2.5283  1.7012  1.5682   2.0965  8.4838  4.1137 15.205  5.9871 -6.720771      7.264130 
1 1 1 12 9  72 o 60.146  1.8347 28.763   1.7299  30.055   2.5650  27.686   2.3430  60.992  2.6826 58.623  2.5494 2.368710       3.700827 
1 1 1 12 9  73 o 15.953  5.1092 2.2478   1.4457  1.3187   1.8874  3.5668   2.2488  14.221  5.6550 19.443  6.3836 -5.222426      8.528103 
1 1 1 12 9  74 o 17.041  5.7481 2.6372   1.8208  2.3431   2.3711  3.0599   2.8426  16.764  6.4321 18.423  7.0489 -1.659180      9.542521 
1 1 1 12 9  75 o 46.574  2.9393 17.862   2.1350  19.000   2.8146  16.319   3.2764  47.262  3.8318 42.651  4.9949 4.611229       6.295382 
1 1 1 12 10 0  f 273.890 2.6754 588.395  11.485  588.395  11.485  588.395  11.485  273.890 2.6754 273.890 2.6754 0.000000       0.000000 
1 1 1 12 10 1  o 131.219 1.3648 134.995  2.8076  137.063  4.0159  133.018  3.9266  132.205 1.9377 130.241 1.9232 1.964645       2.730052 
1 1 1 12 10 2  o 228.921 1.6823 410.906  6.0372  396.969  8.2896  426.648  8.8098  224.968 2.3505 233.222 2.4096 -8.253952      3.366156 
1 1 1 12 10 3  o 161.496 1.4337 204.484  3.6296  210.749  5.2256  198.643  5.0453  163.931 2.0334 159.153 2.0222 4.777878       2.867721 
1 1 1 12 10 4  o 192.115 1.5392 289.382  4.6356  295.861  6.6454  283.241  6.4694  194.225 2.1825 190.038 2.1716 4.187149       3.078831 
1 1 1 12 10 5  o 383.896 2.4573 1156.04  14.788  1155.16  20.891  1156.93  20.937  383.607 3.4740 383.900 3.4788 -0.2924500     4.916373 
1 1 1 12 10 6  o 123.694 1.3677 119.957  2.6522  119.494  3.7392  120.425  3.7623  123.441 1.9323 123.921 1.9367 -0.4800873     2.735761 
1 1 1 12 10 7  o 106.777 1.3558 89.387   2.2694  96.716   3.3161  82.932   3.1124  111.055 1.9048 102.836 1.9306 8.218918       2.712066 
1 1 1 12 10 8  o 86.393  1.4664 58.519   1.9861  56.987   2.6948  60.341   2.9384  85.245  2.0166 87.714  2.1369 -2.469246      2.938161 
1 1 1 12 10 9  o 62.873  1.5696 30.995   1.5471  31.405   2.1927  30.588   2.1831  63.278  2.2104 62.450  2.2300 0.8282585      3.139823 
1 1 1 12 10 10 o 114.244 1.3559 102.327  2.4284  99.329   3.3907  105.484  3.4795  112.544 1.9218 115.979 1.9138 -3.435265      2.712155 
1 1 1 12 10 11 o 155.635 1.4294 189.912  3.4874  193.730  4.9917  186.271  4.8743  157.170 2.0259 154.115 2.0175 3.054932       2.859144 
1 1 1 12 10 12 o 351.659 2.3934 970.052  13.194  958.248  17.642  985.036  19.877  349.405 3.2207 354.198 3.5797 -4.793091      4.815298 
1 1 1 12 10 13 o 88.266  1.4035 61.083   1.9421  56.285   2.6647  66.519   2.8363  84.716  2.0064 92.098  1.9645 -7.381325      2.808030 
1 1 1 12 10 14 o 245.729 1.7671 473.503  6.8071  465.521  9.4805  481.997  9.7799  243.598 2.4826 247.869 2.5169 -4.270523      3.535233 
1 1 1 12 10 15 o 89.028  1.4231 62.144   1.9862  58.342   2.7555  66.255   2.8656  86.249  2.0380 91.913  1.9887 -5.664406      2.847531 
1 1 1 12 10 16 o 172.262 1.4787 232.670  3.9932  227.641  5.5579  238.036  5.7411  170.365 2.0810 174.210 2.1022 -3.845062      2.957995 
1 1 1 12 10 17 o 170.450 1.4692 227.801  3.9258  234.395  5.6505  221.648  5.4583  172.872 2.0850 168.106 2.0712 4.765945       2.938887 
1 1 1 12 10 18 o 92.427  1.3976 66.980   2.0251  66.513   2.8435  67.461   2.8848  92.090  1.9696 92.744  1.9842 -0.6539841     2.795743 
1 1 1 12 10 19 o 204.644 1.5948 328.392  5.1164  325.206  7.1659  331.704  7.3076  203.610 2.2450 205.633 2.2669 -2.022522      3.190422 
1 1 1 12 10 20 o 140.454 1.4016 154.677  3.0862  155.851  4.3686  153.508  4.3605  140.964 1.9769 139.900 1.9882 1.064117       2.803772 
1 1 1 12 10 21 o 229.128 1.6973 411.702  6.0965  412.814  8.6318  410.595  8.6118  229.383 2.4004 228.765 2.4013 0.6171722      3.395342 
1 1 1 12 10 22 o 121.587 1.3675 115.914  2.6065  114.789  3.6551  117.077  3.7179  120.977 1.9273 122.176 1.9412 -1.199501      2.735417 
1 1 1 12 10 23 o 66.824  1.5536 35.017   1.6275  34.427   2.2831  35.627   2.3208  66.245  2.1985 67.390  2.1968 -1.144928      3.107883 
1 1 1 12 10 24 o 195.038 1.6273 298.315  4.9756  301.895  6.7848  294.150  7.3185  196.165 2.2063 193.615 2.4112 2.549469       3.268250 
1 1 1 12 10 25 o 95.570  1.5170 71.625   2.2729  73.952   3.1879  69.219   3.2414  97.091  2.0945 93.928  2.2013 3.162720       3.038510 
1 1 1 12 10 26 o 185.214 1.8474 269.075  5.3640  275.081  6.9062  259.943  8.5160  187.229 2.3529 181.942 2.9857 5.287125       3.801424 
1 1 1 12 10 27 o 37.522  2.6100 11.105   1.5257  11.545   2.0751  10.587   2.2509  38.168  3.5072 36.471  4.0027 1.696663       5.321902 
1 1 1 12 10 28 o 74.231  1.7024 43.220   1.9811  43.344   2.6472  43.063   2.9869  74.318  2.2722 74.064  2.5726 0.2538147      3.432311 
1 1 1 12 10 29 o 83.284  1.8422 54.414   2.4052  57.026   3.1846  50.946   3.6697  85.236  2.3833 80.536  2.9066 4.699524       3.758733 
1 1 1 12 10 30 o 126.666 1.5359 125.839  3.0498  128.260  3.9375  122.207  4.8219  127.853 1.9645 124.764 2.4654 3.089821       3.152349 
1 1 1 12 10 31 o 65.031  1.8327 33.180   1.8684  35.656   2.5408  30.264   2.7572  67.390  2.4050 62.066  2.8337 5.324093       3.716708 
1 1 1 12 10 32 o 174.858 1.7337 239.885  4.7525  237.819  6.3305  242.553  7.1942  174.038 2.3203 175.723 2.6116 -1.684357      3.493405 
1 1 1 12 10 33 o 52.220  2.4952 21.421   2.0427  23.554   3.1297  19.837   2.6962  54.569  3.6799 50.086  3.4550 4.482872       5.047630 
1 1 1 12 10 34 o 34.648  3.1261 9.5203   1.6797  12.822   2.4494  6.5893   2.3078  40.138  3.9436 28.384  5.3835 11.75416       6.673392 
1 1 1 12 10 35 o 107.707 1.7731 91.049   2.9939  87.418   4.4755  93.990   4.0278  105.447 2.7074 109.380 2.3490 -3.932640      3.584334 
1 1 1 12 10 36 o 107.829 1.7609 91.264   2.9766  97.083   4.6910  87.341   3.8511  111.110 2.6931 105.431 2.3300 5.678925       3.561201 
1 1 1 12 10 37 o 42.769  2.1292 14.369   1.4276  13.667   1.9369  15.205   2.1121  41.559  2.9930 43.833  3.0936 -2.273575      4.304523 
1 1 1 12 10 38 f 114.418 1.4992 102.738  2.6892  103.703  3.5118  101.369  4.1814  114.907 1.9495 113.555 2.3489 1.352089       3.052531 
1 1 1 12 10 39 o 57.482  1.8762 25.952   1.6907  28.535   2.0893  21.051   2.8777  60.251  2.2120 51.511  3.5860 8.740429       4.213351 
1 1 1 12 10 40 o 35.115  2.5780 9.7565   1.4092  11.253   1.8603  7.7419   2.1588  37.639  3.1826 30.902  4.5962 6.736811       5.590532 
1 1 1 12 10 41 o 37.665  2.4282 11.209   1.4261  10.574   1.8860  12.057   2.1793  36.445  3.3381 38.888  3.6162 -2.443260      4.921367 
1 1 1 12 10 42 o 151.113 1.6740 179.348  3.9656  175.807  5.2337  184.121  6.0765  149.498 2.2332 152.914 2.5348 -3.416061      3.378228 
1 1 1 12 10 43 o 121.228 1.5158 115.396  2.8807  119.701  4.1821  111.509  3.9737  123.358 2.1626 119.068 2.1288 4.289246       3.034589 
1 1 1 12 10 44 o 65.945  1.4875 34.148   1.5377  35.049   2.2001  33.288   2.1501  66.750  2.1025 65.051  2.1084 1.698784       2.977572 
1 1 1 12 10 45 o 89.758  1.4633 63.265   2.0590  65.267   2.8020  60.916   3.0359  91.100  1.9619 87.974  2.2013 3.126427       2.948739 
1 1 1 12 10 46 o 30.659  2.4194 7.4520   1.1534  6.2432   1.6395  8.6361   1.6228  27.779  3.8700 32.892  3.1870 -5.113586      5.013403 
1 1 1 12 10 47 f 50.946  1.6715 20.399   1.3350  20.322   1.8901  20.475   1.8859  50.782  2.3742 50.974  2.3600 -0.1922226     3.347622 
1 1 1 12 10 48 o 67.767  1.4691 36.074   1.5607  33.198   2.1588  39.224   2.2590  64.933  2.1208 70.593  2.0412 -5.659698      2.943519 
1 1 1 12 10 49 o 123.509 1.3693 119.806  2.6513  122.317  3.8055  117.437  3.6960  124.672 1.9471 122.164 1.9299 2.508446       2.741473 
1 1 1 12 10 50 o 17.105  4.1272 2.4278   1.0940  0.5574   1.4197  5.1618   1.7164  12.077  4.8694 25.016  4.5442 -12.93877      6.660343 
1 1 1 12 10 51 o 40.143  2.1551 12.735   1.3513  12.927   1.9035  12.541   1.9185  40.285  3.0364 39.659  3.1107 0.6254539      4.347033 
1 1 1 12 10 52 o 91.693  1.4524 66.073   2.0878  69.157   3.1794  63.734   2.7682  93.661  2.1654 89.960  1.9629 3.701073       2.922649 
1 1 1 12 10 53 o 85.625  1.3999 57.615   1.8790  59.145   2.6704  56.115   2.6445  86.647  1.9659 84.391  1.9989 2.255981       2.803682 
1 1 1 12 10 54 o 85.237  1.4677 57.119   1.9612  58.341   2.6632  55.672   2.8990  86.039  1.9745 83.993  2.2016 2.046227       2.957343 
1 1 1 12 10 55 o 30.684  2.4825 7.4953   1.1839  7.9688   1.6030  6.9270   1.7561  31.466  3.2987 29.144  3.9450 2.321539       5.142439 
1 1 1 12 10 56 o 20.520  3.6546 3.4661   1.1325  3.4547   1.5043  3.4811   1.7207  20.232  4.8128 20.247  5.3433 -0.1570320E-01 7.191243 
1 1 1 12 10 57 o 66.769  1.4947 35.080   1.5645  35.230   2.2153  34.931   2.2099  66.781  2.1160 66.496  2.1199 0.2851410      2.995231 
1 1 1 12 10 58 o 30.798  2.3537 7.5551   1.1278  7.1228   1.6054  7.9762   1.5846  29.604  3.5287 31.426  3.2642 -1.821659      4.806933 
1 1 1 12 10 59 o 45.229  1.8941 16.153   1.3430  14.789   2.0303  17.214   1.7907  42.932  3.0363 46.511  2.4647 -3.578987      3.910775 
1 1 1 12 10 60 o 24.249  3.0703 4.7757   1.1410  4.6821   1.7301  4.8478   1.5180  23.443  4.8668 24.100  4.1688 -0.6565590     6.408188 
1 1 1 12 10 61 o 15.699  4.2802 2.0846   1.0824  3.1159   1.6466  1.2999   1.4363  18.994  5.3187 13.700  5.0594 5.294307       7.340705 
1 1 1 12 10 62 o 13.051  4.3015 1.3579   1.0207  0.8531   1.4200  1.8975   1.4682  12.524  4.9287 15.335  5.1617 -2.811466      7.136886 
1 1 1 12 10 63 o 68.724  1.4548 37.247   1.5673  38.802   2.2571  35.799   2.1780  69.930  2.0589 67.166  2.0685 2.764198       2.918515 
1 1 1 12 10 64 o 20.852  4.0130 3.6843   1.2642  3.5439   1.7891  3.8244   1.7867  19.983  5.5257 20.767  5.4275 -0.7841377     7.745412 
1 1 1 12 10 65 o 17.388  3.7687 2.5692   0.9977  -0.0771  1.3919  5.3655   1.4308  10.423  4.5407 25.355  3.7095 -14.93144      5.863300 
1 1 1 12 10 66 o 35.970  1.9776 10.313   1.1108  9.7645   1.5800  10.848   1.5621  34.654  2.9360 36.620  2.7410 -1.966785      4.016556 
1 1 1 12 10 67 o 15.738  3.7623 2.1203   0.9157  2.6071   1.3677  1.7248   1.2327  17.215  4.8567 14.372  4.7267 2.843107       6.777078 
1 1 1 12 10 68 o 33.096  2.1857 8.7815   1.1276  8.5423   1.3489  9.3366   2.0548  32.461  2.6745 33.286  4.0191 -0.8243256     4.827668 
1 1 1 12 10 69 o 11.704  4.6854 0.7217   1.3043  2.8660   1.8500  -1.3978  1.8392  17.886  5.7850 10.061  4.7023 7.824617       7.455077 
1 1 1 12 10 70 o 48.717  2.1073 18.953   1.6094  18.888   2.2728  19.019   2.2793  48.077  3.0310 48.245  3.0290 -0.1681252     4.285105 
1 1 1 12 10 71 o 12.977  4.8760 1.2202   1.3454  -0.0355  1.8863  2.5204   1.9195  11.894  5.2308 16.926  5.8957 -5.032355      7.881621 
1 1 1 12 10 72 o 32.138  2.9307 8.4916   1.4603  6.5136   2.1221  10.271   2.0125  26.786  5.2414 34.882  3.7386 -8.095251      6.438095 
1 1 1 12 10 73 o 26.563  3.6971 6.0131   1.4978  4.7497   1.9235  7.9593   2.3873  22.508  5.4984 29.436  5.3713 -6.927740      7.686550 
1 1 1 12 10 74 o 9.6218  4.5793 -1.8084  1.8945  -2.9760  2.2713  0.8613   3.4345  9.7659  4.7394 15.708  6.9758 -5.942203      8.433516 
1 1 1 12 11 0  o 199.531 2.2435 312.283  7.0157  312.283  7.0157  312.283  7.0157  199.531 2.2435 199.531 2.2435 0.000000       0.000000 
1 1 1 12 11 1  o 58.804  1.7230 27.116   1.5883  28.945   2.2707  25.363   2.2225  60.743  2.3846 56.859  2.4933 3.884247       3.450073 
1 1 1 12 11 2  o 121.727 1.3902 116.177  2.6529  116.653  3.7508  115.701  3.7527  121.960 1.9618 121.461 1.9709 0.4991531      2.780820 
1 1 1 12 11 3  o 42.994  2.1142 14.499   1.4250  11.971   1.9940  17.137   2.0372  38.910  3.3001 46.648  2.7987 -7.738567      4.327057 
1 1 1 12 11 4  o 143.915 1.4188 162.391  3.2009  161.901  4.5194  162.883  4.5341  143.677 2.0065 144.112 2.0069 -0.4350586     2.837935 
1 1 1 12 11 5  o 153.313 1.4412 184.294  3.4639  180.643  4.8462  188.108  4.9528  151.764 2.0369 154.868 2.0400 -3.103989      2.882852 
1 1 1 12 11 6  o 49.714  1.8696 19.382   1.4571  21.019   2.0995  17.862   2.0239  51.759  2.5875 47.633  2.7217 4.125748       3.755372 
1 1 1 12 11 7  o 179.944 1.5790 253.896  4.4541  254.824  6.5768  253.109  6.0538  180.234 2.3277 179.637 2.1497 0.5968781      3.168511 
1 1 1 12 11 8  o 242.981 1.7705 462.989  6.7441  468.143  9.6353  458.039  9.4428  244.272 2.5162 241.624 2.4929 2.648453       3.541985 
1 1 1 12 11 9  o 94.484  1.4187 69.995   2.1014  69.114   2.9639  70.886   2.9798  93.873  2.0141 95.069  1.9994 -1.196327      2.837966 
1 1 1 12 11 10 o 19.795  4.0852 3.1929   1.2257  3.5629   1.7446  2.8322   1.7224  20.877  5.3162 18.802  5.4968 2.075300       7.647012 
1 1 1 12 11 11 o 86.389  1.5139 58.519   2.0502  60.512   3.0947  56.960   2.7370  87.829  2.2476 85.218  2.0487 2.610992       3.041244 
1 1 1 12 11 12 o 58.907  1.7182 27.211   1.5867  26.752   2.2125  27.698   2.2768  58.394  2.4169 59.417  2.4443 -1.023132      3.437480 
1 1 1 12 11 13 o 223.947 1.6857 393.289  5.9182  393.914  8.3730  392.665  8.3663  224.074 2.3836 223.718 2.3855 0.3558350      3.372261 
1 1 1 12 11 14 o 90.932  1.5058 64.836   2.1465  67.035   2.9418  62.332   3.1391  92.447  2.0298 89.138  2.2464 3.308968       3.027631 
1 1 1 12 11 15 o 206.446 1.6149 334.214  5.2264  325.019  7.2518  344.153  7.5389  203.542 2.2727 209.446 2.2961 -5.903809      3.230632 
1 1 1 12 11 16 o 130.056 1.3965 132.627  2.8473  131.124  4.0170  134.145  4.0363  129.295 1.9818 130.777 1.9688 -1.481461      2.793529 
1 1 1 12 11 17 o 92.705  1.6164 67.395   2.3491  64.421   3.4967  69.841   3.1713  90.609  2.4617 94.356  2.1440 -3.747025      3.264444 
1 1 1 12 11 18 o 168.958 1.6006 223.865  4.2395  224.107  6.0001  223.624  5.9911  169.010 2.2646 168.828 2.2636 0.1821289      3.201959 
1 1 1 12 11 19 o 125.368 1.5903 123.255  3.1256  128.795  4.3189  117.162  4.5291  128.129 2.1501 122.195 2.3643 5.934189       3.195776 
1 1 1 12 11 20 o 121.882 1.6575 116.503  3.1670  112.577  4.3967  120.737  4.5656  119.779 2.3415 124.043 2.3479 -4.264366      3.315893 
1 1 1 12 11 21 o 108.762 1.6622 92.774   2.8340  97.788   4.0751  88.077   3.9440  111.633 2.3286 105.942 2.3747 5.690224       3.325890 
1 1 1 12 11 22 o 130.571 1.5472 133.703  3.1670  131.228  4.4256  136.300  4.5339  129.325 2.1829 131.799 2.1943 -2.474808      3.095188 
1 1 1 12 11 23 o 166.285 1.6991 216.876  4.4292  207.293  6.4324  225.516  6.1078  162.507 2.5249 169.519 2.2983 -7.012863      3.414331 
1 1 1 12 11 24 f 60.429  1.9892 28.650   1.8844  31.947   2.7253  25.630   2.6086  63.785  2.7255 57.050  2.9266 6.735455       3.999110 
1 1 1 12 11 25 o 48.514  2.2664 18.472   1.7237  16.129   2.3412  21.246   2.5471  45.178  3.3291 51.904  3.1452 -6.726528      4.579844 
1 1 1 12 11 26 o 72.057  1.7334 40.731   1.9581  37.893   2.5590  44.739   3.0413  69.478  2.3495 75.483  2.5702 -6.005424      3.482205 
1 1 1 12 11 27 o 101.526 1.5768 80.851   2.5097  82.126   3.4014  79.327   3.7181  102.294 2.1211 100.521 2.3594 1.773422       3.172679 
1 1 1 12 11 28 o 103.018 1.5682 83.249   2.5325  84.421   3.3977  81.783   3.7989  103.710 2.0898 102.057 2.3744 1.652863       3.163109 
1 1 1 12 11 29 o 213.366 1.8033 357.227  6.0320  358.373  7.8190  355.541  9.4799  213.630 2.3347 212.691 2.8432 0.9387970      3.678916 
1 1 1 12 11 30 o 72.874  1.6383 41.667   1.8716  43.843   2.4264  38.470   2.9410  74.732  2.0711 69.966  2.6814 4.765846       3.388101 
1 1 1 12 11 31 o 73.241  1.6390 42.091   1.8819  39.800   2.6149  44.552   2.7104  71.181  2.3434 75.313  2.2957 -4.132233      3.280481 
1 1 1 12 11 32 o 98.906  1.5225 76.753   2.3607  76.217   3.3170  77.304   3.3605  98.511  2.1479 99.210  2.1607 -0.6988068     3.046650 
1 1 1 12 11 33 o 29.141  2.9812 6.7524   1.3427  6.8921   1.8539  6.5984   1.9473  29.251  4.1602 28.543  4.5010 0.7070770      6.129167 
1 1 1 12 11 34 f 134.048 1.5491 141.015  3.2553  144.758  4.6770  137.499  4.5338  135.733 2.1980 132.288 2.1862 3.445206       3.100119 
1 1 1 12 11 35 o 91.432  1.5314 65.611   2.1951  66.671   3.1465  64.605   3.0638  92.109  2.1791 90.673  2.1554 1.435707       3.065015 
1 1 1 12 11 36 o 47.346  2.0273 17.613   1.5047  17.038   2.1150  18.202   2.1411  46.417  2.9215 47.990  2.8590 -1.572910      4.087681 
1 1 1 12 11 37 o 217.414 1.8387 371.294  6.2668  381.734  9.0647  361.737  8.6735  220.208 2.6258 214.378 2.5808 5.829681       3.681801 
1 1 1 12 11 38 o 93.351  1.5476 68.416   2.2648  67.270   3.1969  69.571   3.2090  92.490  2.2049 94.062  2.1762 -1.572609      3.097994 
1 1 1 12 11 39 o 58.345  1.6995 26.738   1.5544  27.788   2.1406  25.566   2.2610  59.430  2.2976 56.982  2.5311 2.448158       3.418413 
1 1 1 12 11 40 o 45.734  1.9498 16.442   1.3979  15.212   1.8940  17.914   2.0719  43.840  2.7701 47.586  2.7896 -3.746361      3.931352 
1 1 1 12 11 41 o 76.492  1.5211 45.948   1.8240  46.565   2.4983  45.244   2.6694  76.943  2.0712 75.821  2.2458 1.121910       3.055063 
1 1 1 12 11 42 o 91.295  1.3935 65.439   1.9944  66.338   2.8390  64.563   2.8025  91.844  1.9718 90.607  1.9730 1.237259       2.789352 
1 1 1 12 11 43 o 41.033  1.9213 13.241   1.2359  14.255   1.7982  12.333   1.7014  42.420  2.7183 39.436  2.7697 2.984364       3.880745 
1 1 1 12 11 44 o 32.851  2.3398 8.5452   1.1971  8.7098   1.6853  8.3776   1.7008  33.005  3.3014 32.343  3.4056 0.6625252      4.743145 
1 1 1 12 11 45 o 83.394  1.4152 54.621   1.8501  56.771   2.6391  52.543   2.5945  84.939  1.9820 81.708  2.0255 3.231003       2.833870 
1 1 1 12 11 46 o 106.595 1.5327 89.280   2.5612  85.592   3.5449  93.308   3.7045  104.242 2.1692 108.839 2.1712 -4.596420      3.069109 
1 1 1 12 11 47 o 50.162  1.9361 19.803   1.5225  20.749   2.1865  18.913   2.1212  51.171  2.7356 48.839  2.7820 2.332512       3.901644 
1 1 1 12 11 48 o 21.840  3.7597 3.9014   1.2408  2.7226   1.7485  5.0971   1.7610  18.255  5.5872 24.807  4.7003 -6.552401      7.301355 
1 1 1 12 11 49 o 73.560  1.4836 42.526   1.7109  42.203   2.3984  42.861   2.4413  73.186  2.0905 73.750  2.1116 -0.5640869     2.971341 
1 1 1 12 11 50 o 49.153  1.8384 19.018   1.4166  19.077   2.1112  18.971   1.9104  49.022  2.7584 48.941  2.4984 0.8134460E-01  3.721655 
1 1 1 12 11 51 o 17.619  4.1889 2.5874   1.1400  3.5853   1.7114  1.7914   1.5285  20.618  5.2737 15.387  5.2662 5.231088       7.452862 
1 1 1 12 11 52 o 72.349  1.4773 41.157   1.6755  40.585   2.3882  41.711   2.3513  71.725  2.1239 72.727  2.0623 -1.001282      2.960439 
1 1 1 12 11 53 o 55.510  1.6536 24.254   1.4390  24.575   2.0296  23.930   2.0405  55.763  2.3218 55.018  2.3659 0.7451096      3.314801 
1 1 1 12 11 54 o 72.422  1.4876 41.262   1.6889  41.656   2.3937  40.871   2.3832  72.636  2.1022 71.946  2.1130 0.6897964      2.980604 
1 1 1 12 11 55 o 26.080  2.8610 5.4704   1.1505  8.5122   1.6630  2.6782   1.5933  32.481  3.3123 17.873  5.3036 14.60757       6.252924 
1 1 1 12 11 56 o 34.559  2.2634 9.4926   1.2195  8.5441   1.7128  10.468   1.7366  32.488  3.4141 36.087  3.0998 -3.598976      4.611356 
1 1 1 12 11 57 o 34.575  2.2726 9.5104   1.2250  10.806   1.7380  8.2315   1.7268  36.657  3.0521 31.820  3.5206 4.836727       4.659412 
1 1 1 12 11 58 o 34.933  2.2426 9.7118   1.2216  10.841   1.7420  8.6192   1.7137  36.686  3.0567 32.575  3.4062 4.111820       4.576618 
1 1 1 12 11 59 o 45.945  1.8031 16.678   1.2987  18.031   1.8658  15.406   1.8088  47.533  2.5128 43.885  2.6414 3.647503       3.645733 
1 1 1 12 11 60 o 42.163  1.9298 14.073   1.2756  13.938   1.8822  14.187   1.7347  41.609  2.9038 42.076  2.6432 -0.4671059     3.926646 
1 1 1 12 11 61 o 23.251  3.2561 4.4438   1.1543  4.3855   1.5489  4.5167   1.7311  22.646  4.5212 22.813  4.9803 -0.1668663     6.726412 
1 1 1 12 11 62 o 27.438  2.9086 6.1198   1.2320  6.2985   1.6123  5.8690   1.9099  27.486  3.8472 26.077  4.8503 1.409092       6.190886 
1 1 1 12 11 63 o 21.579  3.5487 3.8910   1.1587  4.5873   1.7550  3.3529   1.5428  22.854  5.0345 19.508  5.0167 3.345356       7.107234 
1 1 1 12 11 64 o 51.904  1.7689 21.354   1.4394  21.532   2.1621  21.212   1.9289  51.687  2.6776 51.496  2.3894 0.1906395      3.588644 
1 1 1 12 11 65 o 37.171  2.1907 11.063   1.2709  8.2855   1.8817  13.392   1.7234  31.422  3.9041 40.687  2.7176 -9.265810      4.756830 
1 1 1 12 11 66 o 22.658  4.4928 4.4653   1.5395  6.0190   2.2102  3.0011   2.1456  25.754  5.6313 18.339  6.2394 7.415150       8.404836 
1 1 1 12 11 67 o 13.697  4.4723 1.5702   1.1043  1.6255   1.5791  1.5172   1.5450  14.480  5.3119 14.157  5.2436 0.3229809      7.464049 
1 1 1 12 11 68 o 13.891  4.2656 1.6506   1.0182  1.2555   1.4500  2.0350   1.4302  13.309  5.0480 15.384  5.0927 -2.075019      7.170638 
1 1 1 12 11 69 o 12.925  4.9307 1.1651   1.3884  -0.7303  1.8339  3.7097   2.1249  10.783  4.9140 19.853  6.1731 -9.070490      7.890174 
1 1 1 12 11 70 o 17.163  5.0153 2.6617   1.4342  4.2551   2.1025  1.2753   1.9613  21.134  6.0427 14.227  5.7278 6.907123       8.325953 
1 1 1 12 11 71 o 24.397  3.8632 5.1161   1.4284  3.7256   2.0066  6.5443   2.0336  19.728  5.9743 26.921  5.0028 -7.193293      7.792339 
1 1 1 12 11 72 o 16.957  4.9408 2.6421   1.3937  2.9017   1.9625  2.3779   1.9796  17.533  5.9672 16.318  5.9533 1.215658       8.429083 
1 1 1 12 11 73 o 27.753  3.6750 6.6232   1.5596  6.6386   2.0514  6.6021   2.4006  26.778  5.0725 25.885  6.0282 0.8931808      7.878434 
1 1 1 12 12 0  o 422.020 6.5325 1399.26  43.195  1399.26  43.195  1399.26  43.195  422.020 6.5325 422.020 6.5325 0.000000       0.000000 
1 1 1 12 12 1  o 126.480 2.0037 125.523  3.9706  125.523  3.9706  125.523  3.9706  126.480 2.0037 126.480 2.0037 0.000000       0.000000 
1 1 1 12 12 2  o 170.580 2.1293 228.260  5.6921  228.260  5.6921  228.260  5.6921  170.580 2.1293 170.580 2.1293 0.000000       0.000000 
1 1 1 12 12 3  o 149.596 2.0651 175.571  4.8410  175.571  4.8410  175.571  4.8410  149.596 2.0651 149.596 2.0651 0.000000       0.000000 
1 1 1 12 12 4  o 37.610  3.4749 11.378   2.0086  11.378   2.0086  11.378   2.0086  37.610  3.4749 37.610  3.4749 0.000000       0.000000 
1 1 1 12 12 5  o 44.347  2.9916 15.635   2.0581  15.635   2.0581  15.635   2.0581  44.347  2.9916 44.347  2.9916 0.000000       0.000000 
1 1 1 12 12 6  o 253.328 2.5811 503.442  10.248  503.442  10.248  503.442  10.248  253.328 2.5811 253.328 2.5811 0.000000       0.000000 
1 1 1 12 12 7  o 53.616  3.2222 22.794   2.6859  22.794   2.6859  22.794   2.6859  53.616  3.2222 53.616  3.2222 0.000000       0.000000 
1 1 1 12 12 8  o 145.891 2.4825 167.060  5.6740  167.060  5.6740  167.060  5.6740  145.891 2.4825 145.891 2.4825 0.000000       0.000000 
1 1 1 12 12 9  o 14.165  7.3822 2.2955   2.1393  2.2955   2.1393  2.2955   2.1393  14.165  7.3822 14.165  7.3822 0.000000       0.000000 
1 1 1 12 12 10 o 26.071  6.5870 6.2601   2.3281  6.2601   2.3281  6.2601   2.3281  26.071  6.5870 26.071  6.5870 0.000000       0.000000 
1 1 1 12 12 11 o 9.7884  6.4066 -0.3443  2.4365  -0.3443  2.4365  -0.3443  2.4365  9.7884  6.4066 9.7884  6.4066 0.000000       0.000000 
1 1 1 12 12 12 o 81.693  2.9110 52.549   3.7173  52.549   3.7173  52.549   3.7173  81.693  2.9110 81.693  2.9110 0.000000       0.000000 
1 1 1 12 12 13 o 58.880  3.4162 27.476   3.1290  27.476   3.1290  27.476   3.1290  58.880  3.4162 58.880  3.4162 0.000000       0.000000 
1 1 1 12 12 14 o 11.820  7.2154 0.9451   2.5316  0.9451   2.5316  0.9451   2.5316  11.820  7.2154 11.820  7.2154 0.000000       0.000000 
1 1 1 12 12 15 o 76.606  2.3173 46.149   2.7771  46.149   2.7771  46.149   2.7771  76.606  2.3173 76.606  2.3173 0.000000       0.000000 
1 1 1 12 12 16 o 166.761 2.3080 218.217  6.0311  218.217  6.0311  218.217  6.0311  166.761 2.3080 166.761 2.3080 0.000000       0.000000 
1 1 1 12 12 17 o 57.029  2.6705 25.678   2.3756  25.678   2.3756  25.678   2.3756  57.029  2.6705 57.029  2.6705 0.000000       0.000000 
1 1 1 12 12 18 o 19.932  6.6882 4.0219   1.8658  4.0219   1.8658  4.0219   1.8658  19.932  6.6882 19.932  6.6882 0.000000       0.000000 
1 1 1 12 12 19 o 207.145 2.3032 336.657  7.4771  336.657  7.4771  336.657  7.4771  207.145 2.3032 207.145 2.3032 0.000000       0.000000 
1 1 1 12 12 20 o 115.331 1.9895 104.400  3.5946  104.400  3.5946  104.400  3.5946  115.331 1.9895 115.331 1.9895 0.000000       0.000000 
1 1 1 12 12 21 o 7.9967  5.2335 -0.2289  1.6255  -0.2289  1.6255  -0.2289  1.6255  7.9967  5.2335 7.9967  5.2335 0.000000       0.000000 
1 1 1 12 12 22 o 82.529  2.0660 53.517   2.6692  53.517   2.6692  53.517   2.6692  82.529  2.0660 82.529  2.0660 0.000000       0.000000 
1 1 1 12 12 23 o 29.986  3.8104 7.3955   1.7124  7.3955   1.7124  7.3955   1.7124  29.986  3.8104 29.986  3.8104 0.000000       0.000000 
1 1 1 12 12 24 o 40.136  2.9996 12.854   1.8631  12.854   1.8631  12.854   1.8631  40.136  2.9996 40.136  2.9996 0.000000       0.000000 
1 1 1 12 12 25 o 6.3337  4.4216 -1.5691  1.6048  -1.5691  1.6048  -1.5691  1.6048  6.3337  4.4216 6.3337  4.4216 0.000000       0.000000 
1 1 1 12 12 26 o 9.5412  5.8079 0.6392   1.6298  0.6392   1.6298  0.6392   1.6298  9.5412  5.8079 9.5412  5.8079 0.000000       0.000000 
1 1 1 12 12 27 o 150.968 2.2167 178.927  5.2438  178.927  5.2438  178.927  5.2438  150.968 2.2167 150.968 2.2167 0.000000       0.000000 
1 1 1 12 12 28 o 41.824  3.1793 13.975   2.0569  13.975   2.0569  13.975   2.0569  41.824  3.1793 41.824  3.1793 0.000000       0.000000 
1 1 1 12 12 29 o 95.966  2.1806 72.374   3.2767  72.374   3.2767  72.374   3.2767  95.966  2.1806 95.966  2.1806 0.000000       0.000000 
1 1 1 12 12 30 o 98.486  2.4742 76.282   3.8146  76.282   3.8146  76.282   3.8146  98.486  2.4742 98.486  2.4742 0.000000       0.000000 
1 1 1 12 12 31 o 95.425  2.1847 71.575   3.2643  71.575   3.2643  71.575   3.2643  95.425  2.1847 95.425  2.1847 0.000000       0.000000 
1 1 1 12 12 32 o 20.301  6.2309 4.0503   1.7338  4.0503   1.7338  4.0503   1.7338  20.301  6.2309 20.301  6.2309 0.000000       0.000000 
1 1 1 12 12 33 o 20.455  6.3602 4.1340   1.7870  4.1340   1.7870  4.1340   1.7870  20.455  6.3602 20.455  6.3602 0.000000       0.000000 
1 1 1 12 12 34 o 63.567  2.5103 31.884   2.4927  31.884   2.4927  31.884   2.4927  63.567  2.5103 63.567  2.5103 0.000000       0.000000 
1 1 1 12 12 35 o 9.4776  5.8249 0.5749   1.6753  0.5749   1.6753  0.5749   1.6753  9.4776  5.8249 9.4776  5.8249 0.000000       0.000000 
1 1 1 12 12 36 o 80.436  2.2862 50.933   2.8776  50.933   2.8776  50.933   2.8776  80.436  2.2862 80.436  2.2862 0.000000       0.000000 
1 1 1 12 12 37 o 25.011  5.2027 5.5338   1.7989  5.5338   1.7989  5.5338   1.7989  25.011  5.2027 25.011  5.2027 0.000000       0.000000 
1 1 1 12 12 38 f 92.241  2.1955 66.937   3.1707  66.937   3.1707  66.937   3.1707  92.241  2.1955 92.241  2.1955 0.000000       0.000000 
1 1 1 12 12 39 o 61.052  2.8239 29.504   2.6896  29.504   2.6896  29.504   2.6896  61.052  2.8239 61.052  2.8239 0.000000       0.000000 
1 1 1 12 12 40 o 130.752 2.1898 134.416  4.4857  134.416  4.4857  134.416  4.4857  130.752 2.1898 130.752 2.1898 0.000000       0.000000 
1 1 1 12 12 41 o 41.644  2.8677 13.839   1.8517  13.839   1.8517  13.839   1.8517  41.644  2.8677 41.644  2.8677 0.000000       0.000000 
1 1 1 12 12 42 o 116.238 1.9694 106.212  3.5863  106.212  3.5863  106.212  3.5863  116.238 1.9694 116.238 1.9694 0.000000       0.000000 
1 1 1 12 12 43 o 41.653  2.8087 13.842   1.8149  13.842   1.8149  13.842   1.8149  41.653  2.8087 41.653  2.8087 0.000000       0.000000 
1 1 1 12 12 44 o 13.953  6.4668 2.2719   1.5642  2.2719   1.5642  2.2719   1.5642  13.953  6.4668 13.953  6.4668 0.000000       0.000000 
1 1 1 12 12 45 o 28.942  3.9525 6.9801   1.6986  6.9801   1.6986  6.9801   1.6986  28.942  3.9525 28.942  3.9525 0.000000       0.000000 
1 1 1 12 12 46 o 108.545 1.9579 92.668   3.3291  92.668   3.3291  92.668   3.3291  108.545 1.9579 108.545 1.9579 0.000000       0.000000 
1 1 1 12 12 47 o 58.879  2.2759 27.391   2.0936  27.391   2.0936  27.391   2.0936  58.879  2.2759 58.879  2.2759 0.000000       0.000000 
1 1 1 12 12 48 o 100.529 1.9949 79.537   3.1410  79.537   3.1410  79.537   3.1410  100.529 1.9949 100.529 1.9949 0.000000       0.000000 
1 1 1 12 12 49 o 19.576  6.4121 3.9072   1.7443  3.9072   1.7443  3.9072   1.7443  19.576  6.4121 19.576  6.4121 0.000000       0.000000 
1 1 1 12 12 50 o 30.155  4.0713 7.5963   1.8259  7.5963   1.8259  7.5963   1.8259  30.155  4.0713 30.155  4.0713 0.000000       0.000000 
1 1 1 12 12 51 o 66.466  2.5157 34.972   2.6128  34.972   2.6128  34.972   2.6128  66.466  2.5157 66.466  2.5157 0.000000       0.000000 
1 1 1 12 12 52 o 50.348  2.8278 20.210   2.2159  20.210   2.2159  20.210   2.2159  50.348  2.8278 50.348  2.8278 0.000000       0.000000 
1 1 1 12 12 53 o 48.197  2.8808 18.560   2.1588  18.560   2.1588  18.560   2.1588  48.197  2.8808 48.197  2.8808 0.000000       0.000000 
1 1 1 12 12 54 f 38.151  3.0901 11.753   1.8202  11.753   1.8202  11.753   1.8202  38.151  3.0901 38.151  3.0901 0.000000       0.000000 
1 1 1 12 12 55 o 9.7434  5.8731 0.8236   1.6331  0.8236   1.6331  0.8236   1.6331  9.7434  5.8731 9.7434  5.8731 0.000000       0.000000 
1 1 1 12 12 56 o 9.5819  5.7720 0.8056   1.5754  0.8056   1.5754  0.8056   1.5754  9.5819  5.7720 9.5819  5.7720 0.000000       0.000000 
1 1 1 12 12 57 o 56.359  2.4041 25.248   2.1153  25.248   2.1153  25.248   2.1153  56.359  2.4041 56.359  2.4041 0.000000       0.000000 
1 1 1 12 12 58 o 6.3805  4.4168 -1.1449  1.5142  -1.1449  1.5142  -1.1449  1.5142  6.3805  4.4168 6.3805  4.4168 0.000000       0.000000 
1 1 1 12 12 59 o 26.434  4.6676 6.1411   1.7543  6.1411   1.7543  6.1411   1.7543  26.434  4.6676 26.434  4.6676 0.000000       0.000000 
1 1 1 12 12 60 o 14.711  6.6995 2.6418   1.6757  2.6418   1.6757  2.6418   1.6757  14.711  6.6995 14.711  6.6995 0.000000       0.000000 
1 1 1 12 12 61 o 25.875  4.9614 6.0138   1.7984  6.0138   1.7984  6.0138   1.7984  25.875  4.9614 25.875  4.9614 0.000000       0.000000 
1 1 1 12 12 62 o 8.1815  5.3084 0.0821   1.6217  0.0821   1.6217  0.0821   1.6217  8.1815  5.3084 8.1815  5.3084 0.000000       0.000000 
1 1 1 12 12 63 o 44.720  2.7785 16.152   1.9307  16.152   1.9307  16.152   1.9307  44.720  2.7785 44.720  2.7785 0.000000       0.000000 
1 1 1 12 12 64 o 42.058  2.7783 14.322   1.8135  14.322   1.8135  14.322   1.8135  42.058  2.7783 42.058  2.7783 0.000000       0.000000 
1 1 1 12 12 65 o 6.8509  4.6974 -0.8795  1.6182  -0.8795  1.6182  -0.8795  1.6182  6.8509  4.6974 6.8509  4.6974 0.000000       0.000000 
1 1 1 12 12 66 o 52.766  2.7308 22.464   2.2451  22.464   2.2451  22.464   2.2451  52.766  2.7308 52.766  2.7308 0.000000       0.000000 
1 1 1 12 12 67 o 6.8533  4.7100 -0.9226  1.6487  -0.9226  1.6487  -0.9226  1.6487  6.8533  4.7100 6.8533  4.7100 0.000000       0.000000 
1 1 1 12 12 68 o 66.168  2.1932 34.972   2.2694  34.972   2.2694  34.972   2.2694  66.168  2.1932 66.168  2.1932 0.000000       0.000000 
1 1 1 12 12 69 o 7.9555  5.4134 -0.7089  2.0619  -0.7089  2.0619  -0.7089  2.0619  7.9555  5.4134 7.9555  5.4134 0.000000       0.000000 
1 1 1 12 12 70 o 19.191  7.8586 4.7160   2.3316  4.7160   2.3316  4.7160   2.3316  19.191  7.8586 19.191  7.8586 0.000000       0.000000 
1 1 1 12 12 71 o 10.801  6.6695 1.3431   2.2196  1.3431   2.2196  1.3431   2.2196  10.801  6.6695 10.801  6.6695 0.000000       0.000000 
1 1 1 13 0  0  o 390.932 4.8985 1198.67  30.010  1198.67  30.010  1198.67  30.010  390.932 4.8985 390.932 4.8985 0.000000       0.000000 
1 1 1 13 0  1  o 136.085 1.7833 145.239  3.8029  145.239  3.8029  145.239  3.8029  136.085 1.7833 136.085 1.7833 0.000000       0.000000 
1 1 1 13 0  2  o 388.974 3.4466 1186.41  21.013  1186.41  21.013  1186.41  21.013  388.974 3.4466 388.974 3.4466 0.000000       0.000000 
1 1 1 13 0  3  o 34.687  2.9529 9.6353   1.5789  9.6353   1.5789  9.6353   1.5789  34.687  2.9529 34.687  2.9529 0.000000       0.000000 
1 1 1 13 0  4  o 848.949 7.1491 5654.31  95.129  5654.31  95.129  5654.31  95.129  848.949 7.1491 848.949 7.1491 0.000000       0.000000 
1 1 1 13 0  5  o 184.687 2.0050 267.469  5.8035  267.469  5.8035  267.469  5.8035  184.687 2.0050 184.687 2.0050 0.000000       0.000000 
1 1 1 13 0  6  o 88.682  1.7338 61.717   2.4084  61.717   2.4084  61.717   2.4084  88.682  1.7338 88.682  1.7338 0.000000       0.000000 
1 1 1 13 0  7  o 455.173 3.9620 1624.70  28.267  1624.70  28.267  1624.70  28.267  455.173 3.9620 455.173 3.9620 0.000000       0.000000 
1 1 1 13 0  8  o 617.022 5.2600 2986.01  50.871  2986.01  50.871  2986.01  50.871  617.022 5.2600 617.022 5.2600 0.000000       0.000000 
1 1 1 13 0  9  o 262.582 2.5010 540.643  10.293  540.643  10.293  540.643  10.293  262.582 2.5010 262.582 2.5010 0.000000       0.000000 
1 1 1 13 0  10 o 113.617 1.7159 101.257  3.0547  101.257  3.0547  101.257  3.0547  113.617 1.7159 113.617 1.7159 0.000000       0.000000 
1 1 1 13 0  11 f 571.621 4.8925 2562.69  43.835  2562.69  43.835  2562.69  43.835  571.621 4.8925 571.621 4.8925 0.000000       0.000000 
1 1 1 13 0  12 o 201.175 2.0986 317.353  6.6169  317.353  6.6169  317.353  6.6169  201.175 2.0986 201.175 2.0986 0.000000       0.000000 
1 1 1 13 0  13 o 343.517 3.3988 925.405  18.299  925.405  18.299  925.405  18.299  343.517 3.3988 343.517 3.3988 0.000000       0.000000 
1 1 1 13 0  14 o 326.983 3.2565 838.459  16.689  838.459  16.689  838.459  16.689  326.983 3.2565 326.983 3.2565 0.000000       0.000000 
1 1 1 13 0  15 o 205.688 2.3259 331.780  7.4978  331.780  7.4978  331.780  7.4978  205.688 2.3259 205.688 2.3259 0.000000       0.000000 
1 1 1 13 0  16 o 540.850 5.6910 2295.03  48.241  2295.03  48.241  2295.03  48.241  540.850 5.6910 540.850 5.6910 0.000000       0.000000 
1 1 1 13 0  17 o 77.676  1.9026 47.382   2.3136  47.382   2.3136  47.382   2.3136  77.676  1.9026 77.676  1.9026 0.000000       0.000000 
1 1 1 13 0  18 o 276.055 2.8440 597.624  12.305  597.624  12.305  597.624  12.305  276.055 2.8440 276.055 2.8440 0.000000       0.000000 
1 1 1 13 0  19 o 274.993 2.8429 593.045  12.253  593.045  12.253  593.045  12.253  274.993 2.8429 274.993 2.8429 0.000000       0.000000 
1 1 1 13 0  20 o 254.507 2.9846 508.040  11.904  508.040  11.904  508.040  11.904  254.507 2.9846 254.507 2.9846 0.000000       0.000000 
1 1 1 13 0  21 o 338.255 3.7381 897.497  19.817  897.497  19.817  897.497  19.817  338.255 3.7381 338.255 3.7381 0.000000       0.000000 
1 1 1 13 0  22 f 84.098  2.3330 55.573   3.0705  55.573   3.0705  55.573   3.0705  84.098  2.3330 84.098  2.3330 0.000000       0.000000 
1 1 1 13 0  23 o 142.519 2.1583 159.342  4.8196  159.342  4.8196  159.342  4.8196  142.519 2.1583 142.519 2.1583 0.000000       0.000000 
1 1 1 13 0  24 o 166.550 2.5968 217.635  6.7765  217.635  6.7765  217.635  6.7765  166.550 2.5968 166.550 2.5968 0.000000       0.000000 
1 1 1 13 0  25 f 355.957 4.4792 994.336  24.986  994.336  24.986  994.336  24.986  355.957 4.4792 355.957 4.4792 0.000000       0.000000 
1 1 1 13 0  26 o 150.656 2.1744 178.050  5.1330  178.050  5.1330  178.050  5.1330  150.656 2.1744 150.656 2.1744 0.000000       0.000000 
1 1 1 13 0  27 o 144.031 2.1404 162.743  4.8305  162.743  4.8305  162.743  4.8305  144.031 2.1404 144.031 2.1404 0.000000       0.000000 
1 1 1 13 0  28 o 113.734 2.0042 101.504  3.5710  101.504  3.5710  101.504  3.5710  113.734 2.0042 113.734 2.0042 0.000000       0.000000 
1 1 1 13 0  29 o 471.110 4.9990 1742.17  36.910  1742.17  36.910  1742.17  36.910  471.110 4.9990 471.110 4.9990 0.000000       0.000000 
1 1 1 13 0  30 o 159.294 2.0344 199.030  5.0785  199.030  5.0785  199.030  5.0785  159.294 2.0344 159.294 2.0344 0.000000       0.000000 
1 1 1 13 0  31 o 242.592 2.5895 461.598  9.8454  461.598  9.8454  461.598  9.8454  242.592 2.5895 242.592 2.5895 0.000000       0.000000 
1 1 1 13 0  32 o 203.451 2.3121 324.657  7.3721  324.657  7.3721  324.657  7.3721  203.451 2.3121 203.451 2.3121 0.000000       0.000000 
1 1 1 13 0  33 o 118.133 1.8611 109.487  3.4446  109.487  3.4446  109.487  3.4446  118.133 1.8611 118.133 1.8611 0.000000       0.000000 
1 1 1 13 0  34 o 60.218  2.0594 28.529   1.9390  28.529   1.9390  28.529   1.9390  60.218  2.0594 60.218  2.0594 0.000000       0.000000 
1 1 1 13 0  35 o 132.492 1.9205 137.711  3.9870  137.711  3.9870  137.711  3.9870  132.492 1.9205 132.492 1.9205 0.000000       0.000000 
1 1 1 13 0  36 o 204.225 2.3243 327.147  7.4393  327.147  7.4393  327.147  7.4393  204.225 2.3243 204.225 2.3243 0.000000       0.000000 
1 1 1 13 0  37 o 437.418 4.2013 1501.76  28.803  1501.76  28.803  1501.76  28.803  437.418 4.2013 437.418 4.2013 0.000000       0.000000 
1 1 1 13 0  38 o 64.810  2.0653 33.033   2.0935  33.033   2.0935  33.033   2.0935  64.810  2.0653 64.810  2.0653 0.000000       0.000000 
1 1 1 13 0  39 o 180.341 1.9904 255.088  5.6256  255.088  5.6256  255.088  5.6256  180.341 1.9904 180.341 1.9904 0.000000       0.000000 
1 1 1 13 0  40 o 107.819 1.6215 91.199   2.7394  91.199   2.7394  91.199   2.7394  107.819 1.6215 107.819 1.6215 0.000000       0.000000 
1 1 1 13 0  41 f 167.091 1.7990 218.973  4.7111  218.973  4.7111  218.973  4.7111  167.091 1.7990 167.091 1.7990 0.000000       0.000000 
1 1 1 13 0  42 o 212.528 2.0320 354.265  6.7686  354.265  6.7686  354.265  6.7686  212.528 2.0320 212.528 2.0320 0.000000       0.000000 
1 1 1 13 0  43 o 160.032 1.9197 200.898  4.8145  200.898  4.8145  200.898  4.8145  160.032 1.9197 160.032 1.9197 0.000000       0.000000 
1 1 1 13 0  44 o 129.593 1.8029 131.760  3.6612  131.760  3.6612  131.760  3.6612  129.593 1.8029 129.593 1.8029 0.000000       0.000000 
1 1 1 13 0  45 o 33.289  3.7221 9.0201   1.8802  9.0201   1.8802  9.0201   1.8802  33.289  3.7221 33.289  3.7221 0.000000       0.000000 
1 1 1 13 0  46 o 15.140  6.1173 2.5061   1.4183  2.5061   1.4183  2.5061   1.4183  15.140  6.1173 15.140  6.1173 0.000000       0.000000 
1 1 1 13 0  47 f 116.045 1.6009 105.655  2.9111  105.655  2.9111  105.655  2.9111  116.045 1.6009 116.045 1.6009 0.000000       0.000000 
1 1 1 13 0  48 f 35.057  2.7528 9.8224   1.4914  9.8224   1.4914  9.8224   1.4914  35.057  2.7528 35.057  2.7528 0.000000       0.000000 
1 1 1 13 0  49 o 174.176 2.2361 238.144  6.1035  238.144  6.1035  238.144  6.1035  174.176 2.2361 174.176 2.2361 0.000000       0.000000 
1 1 1 13 0  50 o 73.556  2.1244 42.558   2.4451  42.558   2.4451  42.558   2.4451  73.556  2.1244 73.556  2.1244 0.000000       0.000000 
1 1 1 13 0  51 o 27.907  4.3648 6.5614   1.7702  6.5614   1.7702  6.5614   1.7702  27.907  4.3648 27.907  4.3648 0.000000       0.000000 
1 1 1 13 0  52 o 5.6134  4.0285 -2.7889  1.6875  -2.7889  1.6875  -2.7889  1.6875  5.6134  4.0285 5.6134  4.0285 0.000000       0.000000 
1 1 1 13 0  53 o 13.684  6.6781 2.1881   1.6899  2.1881   1.6899  2.1881   1.6899  13.684  6.6781 13.684  6.6781 0.000000       0.000000 
1 1 1 13 0  54 o 9.1845  5.6870 0.4822   1.6252  0.4822   1.6252  0.4822   1.6252  9.1845  5.6870 9.1845  5.6870 0.000000       0.000000 
1 1 1 13 0  55 o 60.337  2.0440 28.681   1.9284  28.681   1.9284  28.681   1.9284  60.337  2.0440 60.337  2.0440 0.000000       0.000000 
1 1 1 13 0  56 o 61.903  1.8096 30.155   1.7527  30.155   1.7527  30.155   1.7527  61.903  1.8096 61.903  1.8096 0.000000       0.000000 
1 1 1 13 0  57 o 61.491  1.7793 29.756   1.7119  29.756   1.7119  29.756   1.7119  61.491  1.7793 61.491  1.7793 0.000000       0.000000 
1 1 1 13 0  58 o 32.262  2.4990 8.3294   1.2465  8.3294   1.2465  8.3294   1.2465  32.262  2.4990 32.262  2.4990 0.000000       0.000000 
1 1 1 13 0  59 o 8.7017  4.9894 0.7689   1.0805  0.7689   1.0805  0.7689   1.0805  8.7017  4.9894 8.7017  4.9894 0.000000       0.000000 
1 1 1 13 0  60 o 17.763  4.5032 2.9242   1.0843  2.9242   1.0843  2.9242   1.0843  17.763  4.5032 17.763  4.5032 0.000000       0.000000 
1 1 1 13 0  61 o 85.854  1.5918 57.927   2.1408  57.927   2.1408  57.927   2.1408  85.854  1.5918 85.854  1.5918 0.000000       0.000000 
1 1 1 13 0  62 o 67.448  1.5942 35.780   1.6836  35.780   1.6836  35.780   1.6836  67.448  1.5942 67.448  1.5942 0.000000       0.000000 
1 1 1 13 0  63 o 44.083  1.8993 15.357   1.3070  15.357   1.3070  15.357   1.3070  44.083  1.8993 44.083  1.8993 0.000000       0.000000 
1 1 1 13 0  64 o 4.9762  3.6492 -4.8934  1.8625  -4.8934  1.8625  -4.8934  1.8625  4.9762  3.6492 4.9762  3.6492 0.000000       0.000000 
1 1 1 13 0  65 o 65.758  2.8098 34.315   2.8845  34.315   2.8845  34.315   2.8845  65.758  2.8098 65.758  2.8098 0.000000       0.000000 
1 1 1 13 0  66 o 11.458  6.3450 1.4938   1.6714  1.4938   1.6714  1.4938   1.6714  11.458  6.3450 11.458  6.3450 0.000000       0.000000 
1 1 1 13 0  67 o 10.359  6.0689 1.0713   1.6535  1.0713   1.6535  1.0713   1.6535  10.359  6.0689 10.359  6.0689 0.000000       0.000000 
1 1 1 13 0  68 o 106.433 2.2797 89.475   3.7998  89.475   3.7998  89.475   3.7998  106.433 2.2797 106.433 2.2797 0.000000       0.000000 
1 1 1 13 0  69 o 22.969  5.7331 4.9702   1.7860  4.9702   1.7860  4.9702   1.7860  22.969  5.7331 22.969  5.7331 0.000000       0.000000 
1 1 1 13 0  70 o 9.6445  5.8643 0.7795   1.6574  0.7795   1.6574  0.7795   1.6574  9.6445  5.8643 9.6445  5.8643 0.000000       0.000000 
1 1 1 13 0  71 o 8.2427  5.3302 0.0756   1.6165  0.0756   1.6165  0.0756   1.6165  8.2427  5.3302 8.2427  5.3302 0.000000       0.000000 
1 1 1 13 0  72 o 19.636  5.5200 3.7871   1.4709  3.7871   1.4709  3.7871   1.4709  19.636  5.5200 19.636  5.5200 0.000000       0.000000 
1 1 1 13 0  73 o 34.670  2.9267 9.7873   1.5647  9.7873   1.5647  9.7873   1.5647  34.670  2.9267 34.670  2.9267 0.000000       0.000000 
1 1 1 13 0  74 o 7.3319  4.8167 -0.1104  1.3962  -0.1104  1.3962  -0.1104  1.3962  7.3319  4.8167 7.3319  4.8167 0.000000       0.000000 
1 1 1 13 0  75 o 7.9471  5.0420 0.2992   1.3628  0.2992   1.3628  0.2992   1.3628  7.9471  5.0420 7.9471  5.0420 0.000000       0.000000 
1 1 1 13 0  76 o 8.0113  5.2721 -0.0915  1.6832  -0.0915  1.6832  -0.0915  1.6832  8.0113  5.2721 8.0113  5.2721 0.000000       0.000000 
1 1 1 13 0  77 o 12.284  6.4339 1.9527   1.6311  1.9527   1.6311  1.9527   1.6311  12.284  6.4339 12.284  6.4339 0.000000       0.000000 
1 1 1 13 0  78 o 5.4128  3.8353 -1.5919  1.3540  -1.5919  1.3540  -1.5919  1.3540  5.4128  3.8353 5.4128  3.8353 0.000000       0.000000 
1 1 1 13 0  79 o 4.6865  3.3871 -2.3153  1.2937  -2.3153  1.2937  -2.3153  1.2937  4.6865  3.3871 4.6865  3.3871 0.000000       0.000000 
1 1 1 13 0  80 o 23.348  7.6922 6.1763   2.4999  6.1763   2.4999  6.1763   2.4999  23.348  7.6922 23.348  7.6922 0.000000       0.000000 
1 1 1 13 0  81 o 6.3964  4.5982 -3.2242  2.2391  -3.2242  2.2391  -3.2242  2.2391  6.3964  4.5982 6.3964  4.5982 0.000000       0.000000 
1 1 1 13 0  82 o 43.431  5.4776 17.308   3.5682  17.308   3.5682  17.308   3.5682  43.431  5.4776 43.431  5.4776 0.000000       0.000000 
1 1 1 13 1  0  o 600.216 5.1237 2825.55  48.203  2825.55  48.203  2825.55  48.203  600.216 5.1237 600.216 5.1237 0.000000       0.000000 
1 1 1 13 1  1  o 116.309 1.2327 106.039  2.2477  108.595  3.2055  103.568  3.1525  117.699 1.7373 114.942 1.7496 2.756424       2.465587 
1 1 1 13 1  2  o 92.827  1.2982 67.546   1.8892  66.359   2.5570  68.972   2.8034  92.006  1.7728 93.800  1.9065 -1.793381      2.603347 
1 1 1 13 1  3  o 309.393 2.1081 750.420  10.225  738.847  13.645  765.241  15.441  306.980 2.8354 312.406 3.1528 -5.425629      4.240222 
1 1 1 13 1  4  o 352.125 2.3413 972.063  12.924  976.628  17.576  966.687  19.072  352.925 3.1767 351.114 3.4649 1.811340       4.700727 
1 1 1 13 1  5  o 336.163 2.2542 885.921  11.879  883.857  16.042  888.428  17.677  335.749 3.0478 336.605 3.3498 -0.8566895     4.528824 
1 1 1 13 1  6  o 565.391 3.5796 2506.71  31.728  2570.72  44.079  2437.89  45.705  572.458 4.9117 557.444 5.2301 15.01422       7.174890 
1 1 1 13 1  7  o 281.230 1.9519 620.014  8.6054  614.155  11.544  627.343  12.910  279.884 2.6309 282.865 2.9114 -2.981750      3.924071 
1 1 1 13 1  8  o 164.029 1.4044 210.907  3.6112  215.630  4.9616  205.588  5.2660  165.850 1.9083 161.940 2.0743 3.909622       2.818602 
1 1 1 13 1  9  o 261.896 1.8505 537.689  7.5976  541.971  10.352  532.691  11.185  262.923 2.5116 260.657 2.7373 2.266144       3.714987 
1 1 1 13 1  10 o 271.303 1.9009 577.016  8.0847  570.115  10.820  585.740  12.165  269.661 2.5595 273.324 2.8390 -3.662872      3.822466 
1 1 1 13 1  11 o 398.578 2.6070 1245.54  16.290  1254.12  22.191  1235.52  23.988  399.906 3.5397 396.913 3.8551 2.993134       5.233706 
1 1 1 13 1  12 o 169.347 1.4226 224.807  3.7766  222.761  5.0749  227.348  5.6537  168.569 1.9204 170.293 2.1178 -1.724197      2.858843 
1 1 1 13 1  13 o 512.302 3.4263 2058.15  27.517  2029.58  38.360  2088.44  39.494  508.619 4.8110 515.935 4.8830 -7.315796      6.854877 
1 1 1 13 1  14 o 367.933 2.4365 1061.37  14.053  1051.04  18.870  1074.24  21.058  366.101 3.2880 370.102 3.6295 -4.000122      4.897346 
1 1 1 13 1  15 o 370.654 2.7032 1077.20  15.707  1088.71  21.300  1063.48  23.255  372.580 3.6467 368.214 4.0286 4.365845       5.434000 
1 1 1 13 1  16 o 195.426 1.9054 299.406  5.8374  299.975  7.7319  298.653  8.9019  195.599 2.5215 195.158 2.9097 0.4409790      3.850225 
1 1 1 13 1  17 o 199.551 1.7019 312.170  5.3240  324.604  7.3619  298.537  7.7087  203.474 2.3079 195.128 2.5200 8.345825       3.417193 
1 1 1 13 1  18 o 246.426 2.0670 476.095  7.9850  472.731  10.080  481.761  13.083  245.538 2.6188 247.843 3.3672 -2.305283      4.265683 
1 1 1 13 1  19 o 220.656 2.0336 381.727  7.0346  391.148  9.5061  370.323  10.459  223.342 2.7150 217.303 3.0702 6.039047       4.098488 
1 1 1 13 1  20 o 259.104 2.2764 526.385  9.2464  536.580  12.449  513.841  13.809  261.570 3.0360 255.948 3.4416 5.622116       4.589325 
1 1 1 13 1  21 o 281.202 2.2758 620.012  10.033  614.417  14.085  625.775  14.294  279.885 3.2101 282.459 3.2280 -2.574036      4.552481 
1 1 1 13 1  22 o 45.537  1.6561 16.257   1.1822  16.789   1.5780  15.576   1.7850  46.273  2.1753 44.493  2.5700 1.779575       3.367034 
1 1 1 13 1  23 o 176.553 1.5751 244.370  4.3595  249.985  5.9523  237.872  6.4028  178.557 2.1264 174.171 2.3450 4.385727       3.165556 
1 1 1 13 1  24 f 223.706 1.7289 392.349  6.0633  395.439  8.6015  389.297  8.5483  224.560 2.4434 222.809 2.4473 1.750885       3.458238 
1 1 1 13 1  25 o 268.170 1.8809 563.847  7.9073  564.179  10.710  563.450  11.724  268.219 2.5471 268.032 2.7902 0.1867676      3.777937 
1 1 1 13 1  26 o 207.854 1.5813 338.711  5.1527  343.665  7.0533  333.041  7.5457  209.351 2.1491 206.083 2.3356 3.268402       3.173947 
1 1 1 13 1  27 o 164.805 1.3951 212.928  3.6044  214.069  4.8938  211.576  5.3286  165.234 1.8893 164.264 2.0693 0.9701385      2.802004 
1 1 1 13 1  28 o 117.037 1.3073 107.384  2.3985  107.334  3.1263  107.455  3.7395  117.004 1.7044 117.064 2.0377 -0.5928040E-01 2.656545 
1 1 1 13 1  29 o 230.484 1.6915 416.501  6.1119  410.286  8.1698  424.401  9.2104  228.733 2.2784 232.622 2.5257 -3.888702      3.401476 
1 1 1 13 1  30 o 401.767 2.6245 1266.05  16.530  1264.97  22.348  1267.35  24.563  401.490 3.5507 401.819 3.8994 -0.3293457     5.273806 
1 1 1 13 1  31 o 158.494 1.4418 196.940  3.5823  194.557  5.0088  199.435  5.1256  157.517 2.0284 159.479 2.0502 -1.961975      2.884004 
1 1 1 13 1  32 o 162.560 1.3944 207.174  3.5535  207.271  4.8026  207.057  5.2824  162.586 1.8843 162.495 2.0737 0.9008789E-01  2.801876 
1 1 1 13 1  33 o 54.554  1.4856 23.333   1.2705  24.544   1.7320  21.922   1.8694  55.947  1.9748 52.871  2.2555 3.076385       2.997824 
1 1 1 13 1  34 o 92.903  1.3366 67.665   1.9467  67.360   2.5127  68.124   3.0788  92.687  1.7293 93.204  2.1071 -0.5169525     2.725883 
1 1 1 13 1  35 o 315.648 2.2489 781.395  11.128  775.431  14.264  790.670  17.788  314.385 2.8942 317.383 3.5752 -2.998077      4.599779 
1 1 1 13 1  36 o 172.784 1.4537 234.064  3.9377  238.687  5.3691  228.682  5.7925  174.465 1.9631 170.761 2.1638 3.703705       2.921635 
1 1 1 13 1  37 o 265.196 1.8815 551.494  7.8220  544.888  10.442  559.942  11.808  263.558 2.5272 267.149 2.8194 -3.591064      3.786306 
1 1 1 13 1  38 o 88.952  1.3139 62.035   1.8322  61.617   2.4368  62.577   2.7791  88.645  1.7535 89.328  1.9846 -0.6830826     2.648267 
1 1 1 13 1  39 o 169.384 1.4448 224.952  3.8366  222.500  5.1318  228.057  5.7767  168.439 1.9435 170.520 2.1610 -2.080307      2.906351 
1 1 1 13 1  40 f 293.043 2.0309 673.505  9.3297  673.854  12.595  673.082  13.888  293.047 2.7416 292.845 3.0252 0.2019958      4.082667 
1 1 1 13 1  41 o 96.650  1.2937 73.239   1.9602  70.772   2.5787  76.615   3.0169  94.999  1.7315 98.837  1.9471 -3.838036      2.605643 
1 1 1 13 1  42 o 140.513 1.3496 154.807  2.9729  155.513  4.0098  153.946  4.4303  140.816 1.8164 140.096 2.0172 0.7202911      2.714500 
1 1 1 13 1  43 o 120.938 1.3640 114.682  2.5859  114.635  3.6238  114.730  3.6912  120.893 1.9121 120.942 1.9469 -0.4850769E-01 2.728833 
1 1 1 13 1  44 o 52.229  1.6159 21.394   1.3231  22.560   1.8605  20.200   1.8819  53.622  2.2133 50.737  2.3661 2.884624       3.239873 
1 1 1 13 1  45 o 116.634 1.3758 106.674  2.5156  108.397  3.6302  105.083  3.4893  117.546 1.9700 115.738 1.9231 1.808037       2.753051 
1 1 1 13 1  46 o 218.395 1.7600 374.153  6.0258  371.265  8.4176  377.188  8.6299  217.468 2.4691 219.190 2.5115 -1.721985      3.521941 
1 1 1 13 1  47 o 10.392  4.3256 0.1772   1.1662  0.6870   1.4913  -0.6253  1.8712  12.721  5.0368 11.676  5.1689 1.045280       7.217072 
1 1 1 13 1  48 o 12.932  4.7949 1.0193   1.2926  1.8203   1.7963  0.1593   1.8613  16.181  5.6992 12.882  5.4203 3.299005       7.865144 
1 1 1 13 1  49 o 100.853 1.3604 79.781   2.1509  84.356   3.6681  77.384   2.6552  103.642 2.2576 99.307  1.7056 4.335312       2.829460 
1 1 1 13 1  50 o 107.313 1.2284 90.323   2.0666  92.679   3.3143  88.825   2.6434  108.651 1.9458 106.396 1.5848 2.254837       2.509553 
1 1 1 13 1  51 o 100.489 1.3100 79.215   2.0637  81.958   3.1242  77.093   2.7487  102.164 1.9507 99.101  1.7693 3.063393       2.633537 
1 1 1 13 1  52 o 11.616  4.2764 0.8450   1.0247  1.0543   1.4074  0.6087   1.4950  13.316  4.9902 12.522  5.0151 0.7935858      7.074892 
1 1 1 13 1  53 o 37.287  1.9179 10.949   1.1172  11.015   1.6321  10.891   1.5327  37.299  2.8119 37.108  2.6522 0.1914749      3.865312 
1 1 1 13 1  54 o 42.192  1.7316 13.979   1.1454  15.044   1.6998  13.094   1.5501  43.655  2.4941 40.726  2.4392 2.929390       3.488576 
1 1 1 13 1  55 o 58.996  1.4403 27.319   1.3321  28.027   1.9681  26.721   1.8096  59.709  2.1026 58.311  1.9796 1.398407       2.887868 
1 1 1 13 1  56 o 82.254  1.3119 53.098   1.6917  53.776   2.4724  52.501   2.3197  82.721  1.9065 81.745  1.8101 0.9765701      2.628949 
1 1 1 13 1  57 o 54.751  1.5347 23.539   1.3173  23.938   1.7271  22.985   2.0367  55.178  1.9966 54.031  2.4046 1.146263       3.125448 
1 1 1 13 1  58 o 50.698  1.6296 20.191   1.2951  19.507   1.4675  22.601   2.7542  49.814  1.8792 53.358  3.3089 -3.544109      3.805312 
1 1 1 13 1  59 o 91.047  1.1932 65.057   1.7031  66.257   2.3272  63.673   2.4991  91.836  1.6165 90.006  1.7711 1.829575       2.397888 
1 1 1 13 1  60 o 43.828  1.4506 15.086   0.9967  17.825   1.4079  12.334   1.4112  47.610  1.8864 39.507  2.2883 8.102421       2.965576 
1 1 1 13 1  61 o 86.798  1.1506 59.130   1.5657  60.892   2.1902  57.288   2.2390  88.030  1.5871 85.374  1.6729 2.656357       2.305985 
1 1 1 13 1  62 o 40.177  1.4579 12.681   0.9182  13.123   1.2604  12.181   1.3404  40.834  1.9690 39.262  2.1864 1.571957       2.942312 
1 1 1 13 1  63 o 41.195  1.3820 13.331   0.8925  14.443   1.2046  11.977   1.3290  42.848  1.7934 38.924  2.1868 3.923611       2.828092 
1 1 1 13 1  64 o 72.940  1.3693 41.798   1.5657  42.762   2.7725  41.346   1.8972  73.601  2.4029 72.505  1.6692 1.096672       2.925742 
1 1 1 13 1  65 o 22.778  2.6364 4.1579   0.9240  6.4537   1.8683  3.4144   1.0632  28.024  4.3974 20.444  3.4394 7.579477       5.582678 
1 1 1 13 1  66 o 46.651  1.5110 17.115   1.1050  16.194   2.2145  17.421   1.2751  45.020  3.1577 47.041  1.7291 -2.020702      3.600156 
1 1 1 13 1  67 o 48.885  2.1483 18.870   1.6464  18.987   2.4547  18.775   2.2196  48.709  3.2331 48.523  2.9317 0.1856308      4.364364 
1 1 1 13 1  68 o 49.698  2.1281 19.515   1.6580  22.321   2.5197  17.371   2.2018  52.847  3.0545 46.607  3.0300 6.240173       4.302413 
1 1 1 13 1  69 o 22.886  3.7397 4.3165   1.2953  7.4683   1.8377  1.2040   1.8261  30.170  3.9827 14.453  5.6177 15.71701       6.886271 
1 1 1 13 1  70 o 31.642  2.7527 8.0325   1.3519  8.2329   1.8717  7.8141   1.9546  31.702  3.8449 30.762  4.1597 0.9394169      5.664505 
1 1 1 13 1  71 o 18.308  4.2810 2.8438   1.2067  1.9953   1.6433  3.8368   1.7778  15.883  5.4595 21.025  5.3735 -5.142017      7.660295 
1 1 1 13 1  72 o 29.306  2.9142 6.9436   1.3211  7.2959   1.8207  6.5520   1.9198  29.657  4.0198 27.867  4.5518 1.789759       6.072715 
1 1 1 13 1  73 o 10.761  4.3330 0.5070   1.1226  0.8835   1.6700  0.1967   1.5162  13.222  5.2987 11.416  4.8521 1.805713       7.184675 
1 1 1 13 1  74 o 23.381  3.1290 4.4821   1.1181  5.5658   1.4877  3.0752   1.6951  25.859  3.7817 18.724  5.4469 7.135035       6.630950 
1 1 1 13 1  75 o 23.129  3.2234 4.4062   1.1370  5.3264   1.5098  3.2006   1.7282  25.189  3.9536 19.027  5.4897 6.162092       6.765182 
1 1 1 13 1  76 o 23.739  3.9757 4.7542   1.4272  4.6165   2.3270  4.8373   1.8070  22.420  6.3386 23.482  5.0579 -1.062681      8.109274 
1 1 1 13 1  77 o 17.423  4.0382 2.6054   1.0815  1.4197   1.3691  4.5725   1.7635  13.712  4.9589 22.776  5.0696 -9.063312      7.091618 
1 1 1 13 1  78 o 10.557  4.2485 0.5179   1.0786  0.8308   1.3940  0.0511   1.7026  12.252  4.8637 11.626  5.0435 0.6258602      7.006634 
1 1 1 13 1  79 o 24.834  3.1643 5.0955   1.2039  7.0935   1.7822  3.4186   1.6328  28.942  4.0382 19.501  5.2323 9.440605       6.609332 
1 1 1 13 1  80 o 11.507  5.1069 -0.2255  1.8378  -0.0818  2.2917  -0.4846  3.0764  12.924  5.7208 14.213  6.4328 -1.288958      8.608625 
1 1 1 13 1  81 o 19.442  6.3736 3.5952   2.2421  -0.3773  3.1253  7.8078   3.2184  14.277  6.4708 27.709  7.3051 -13.43234      9.758914 
1 1 1 13 2  0  o 131.154 1.9457 134.927  3.9985  134.927  3.9985  134.927  3.9985  131.154 1.9457 131.154 1.9457 -0.000000      0.000000 
1 1 1 13 2  1  o 516.879 3.4609 2095.03  28.043  2109.54  39.900  2080.87  39.422  518.553 4.9083 515.019 4.8827 3.533875       6.923310 
1 1 1 13 2  2  o 289.581 2.1035 657.407  9.5492  647.296  13.307  668.141  13.711  287.323 2.9543 291.912 2.9962 -4.588409      4.207745 
1 1 1 13 2  3  o 376.137 2.6060 1109.23  15.367  1103.63  21.638  1114.94  21.827  375.139 3.6793 377.055 3.6926 -1.915558      5.212715 
1 1 1 13 2  4  o 124.967 1.4619 122.420  2.8640  121.501  3.8145  123.606  4.3359  124.494 1.9545 125.565 2.2027 -1.071434      2.944844 
1 1 1 13 2  5  o 898.690 6.1833 6339.63  87.113  6352.22  117.119 6324.04  130.331 899.064 8.3097 896.785 9.2706 2.278442       12.44966 
1 1 1 13 2  6  o 256.003 1.8277 513.770  7.3349  510.730  9.8774  517.508  10.952  255.231 2.4686 256.913 2.7192 -1.681549      3.672646 
1 1 1 13 2  7  o 228.716 1.7759 410.082  6.3676  402.952  8.8860  417.608  9.1291  226.706 2.5003 230.791 2.5232 -4.085510      3.552203 
1 1 1 13 2  8  o 315.730 2.3683 781.540  11.722  800.162  16.050  760.249  17.161  319.440 3.2050 311.358 3.5159 8.081879       4.757467 
1 1 1 13 2  9  o 85.277  1.4341 57.007   1.9172  56.966   2.5669  57.059   2.8833  85.244  1.9208 85.312  2.1559 -0.6821442E-01 2.887453 
1 1 1 13 2  10 o 74.025  1.5700 42.956   1.8219  38.548   2.4966  47.979   2.6648  70.120  2.2712 78.229  2.1729 -8.109802      3.143252 
1 1 1 13 2  11 o 484.076 3.4322 1837.69  26.046  1901.16  36.132  1769.04  37.580  492.254 4.6822 474.806 5.0488 17.44861       6.885748 
1 1 1 13 2  12 o 173.723 1.8087 236.592  4.9259  241.088  5.9407  226.699  8.8122  175.360 2.1610 170.022 3.3062 5.337769       3.949778 
1 1 1 13 2  13 o 177.342 1.8222 246.557  5.0659  252.922  6.8640  238.943  7.5078  179.605 2.4378 174.565 2.7435 5.040558       3.670119 
1 1 1 13 2  14 o 324.745 2.7369 826.938  13.933  845.285  18.819  804.676  20.729  328.280 3.6567 320.268 4.1287 8.012207       5.515223 
1 1 1 13 2  15 o 254.123 2.1211 506.308  8.4501  512.419  12.065  500.424  11.839  255.621 3.0108 252.613 2.9894 3.008652       4.242824 
1 1 1 13 2  16 o 399.538 3.0566 1251.89  19.144  1247.73  24.145  1258.92  31.417  398.813 3.8620 400.485 5.0040 -1.672302      6.321008 
1 1 1 13 2  17 o 175.800 1.5933 242.285  4.3912  240.529  5.8641  244.527  6.6256  175.152 2.1357 176.595 2.3933 -1.443481      3.207612 
1 1 1 13 2  18 o 299.539 2.1530 703.487  10.110  695.015  14.098  712.458  14.507  297.689 3.0210 301.399 3.0702 -3.709839      4.307276 
1 1 1 13 2  19 o 227.036 1.6822 404.105  5.9873  399.206  8.0256  410.253  8.9912  225.639 2.2689 228.731 2.5075 -3.092194      3.381602 
1 1 1 13 2  20 o 265.207 1.9654 551.454  8.1711  553.186  10.563  548.874  12.893  265.600 2.5370 264.533 3.1090 1.066528       4.012794 
1 1 1 13 2  21 o 130.074 1.4476 132.638  2.9519  135.053  4.0120  129.788  4.3587  131.245 1.9499 128.657 2.1611 2.587814       2.910772 
1 1 1 13 2  22 o 55.874  1.5226 24.475   1.3336  26.368   1.7537  21.879   2.0537  57.992  1.9290 52.821  2.4802 5.170879       3.142033 
1 1 1 13 2  23 o 150.161 1.4226 176.769  3.3489  180.380  4.3694  171.628  5.2136  151.679 1.8376 147.944 2.2480 3.735214       2.903454 
1 1 1 13 2  24 o 141.471 1.3909 156.900  3.0846  153.238  3.9154  162.893  5.0082  139.802 1.7865 144.130 2.2165 -4.327225      2.846884 
1 1 1 13 2  25 o 126.316 1.3528 125.086  2.6788  125.245  3.4545  124.845  4.2427  126.390 1.7435 126.179 2.1449 0.2105942      2.764090 
1 1 1 13 2  26 o 185.871 1.5673 270.859  4.5668  268.503  5.8468  274.546  7.3134  185.048 2.0155 187.101 2.4934 -2.052872      3.206096 
1 1 1 13 2  27 o 79.319  1.3507 49.324   1.6796  48.064   2.1330  51.379   2.7248  78.296  1.7378 80.945  2.1473 -2.648361      2.762394 
1 1 1 13 2  28 o 94.636  1.3843 70.213   2.0537  71.211   2.5413  68.334   3.4865  95.302  1.7010 93.345  2.3826 1.956932       2.927462 
1 1 1 13 2  29 o 359.940 2.5121 1016.12  14.175  1012.53  18.192  1021.67  22.615  359.233 3.2304 360.754 3.9988 -1.521362      5.140615 
1 1 1 13 2  30 o 93.534  1.3382 68.587   1.9622  66.927   2.4831  71.346   3.2019  92.391  1.7144 95.384  2.1413 -2.993355      2.743070 
1 1 1 13 2  31 f 167.631 1.4416 220.304  3.7883  219.756  5.5562  220.780  5.1787  167.402 2.1172 167.796 1.9687 -0.3946686     2.891098 
1 1 1 13 2  32 o 109.716 1.2949 94.372   2.2272  95.225   3.2954  93.654   3.0219  110.200 1.9075 109.290 1.7638 0.9095612      2.598007 
1 1 1 13 2  33 o 137.703 1.3506 148.660  2.9155  152.443  4.3508  145.577  3.9278  139.427 1.9905 136.256 1.8388 3.171585       2.709880 
1 1 1 13 2  34 o 221.676 1.6738 385.300  5.8166  388.885  8.6749  382.372  7.8402  222.663 2.4852 220.803 2.2650 1.859634       3.362517 
1 1 1 13 2  35 o 204.824 1.5991 328.939  5.1345  322.070  7.4638  335.111  7.0744  202.639 2.3496 206.709 2.1831 -4.070923      3.207236 
1 1 1 13 2  36 o 155.253 1.4047 188.977  3.4188  186.179  4.9813  191.468  4.7008  154.078 2.0623 156.256 1.9190 -2.178452      2.817037 
1 1 1 13 2  37 o 48.490  1.7143 18.437   1.3031  19.968   1.9200  17.130   1.7745  50.453  2.4275 46.667  2.4339 3.786381       3.437550 
1 1 1 13 2  38 o 102.399 1.3114 82.208   2.1052  83.372   3.0889  81.199   2.8768  103.107 1.9110 101.757 1.8034 1.350319       2.627544 
1 1 1 13 2  39 o 100.208 1.3979 78.732   2.1960  71.829   3.3319  84.034   2.9199  95.693  2.2211 103.517 1.7993 -7.823967      2.858438 
1 1 1 13 2  40 o 72.363  1.4600 41.059   1.6563  38.874   2.2772  43.512   2.4133  70.400  2.0634 74.481  2.0669 -4.081055      2.920517 
1 1 1 13 2  41 o 208.479 1.6150 340.834  5.2784  343.541  7.8545  338.606  7.1277  209.249 2.3944 207.758 2.1885 1.491623       3.243874 
1 1 1 13 2  42 o 171.854 1.5358 231.599  4.1376  224.037  6.3611  237.144  5.4474  168.971 2.4014 173.873 1.9985 -4.901306      3.124215 
1 1 1 13 2  43 o 31.002  2.4458 7.5897   1.1790  8.5484   1.8698  6.9570   1.5190  32.770  3.7048 29.572  3.3350 3.198704       4.984761 
1 1 1 13 2  44 o 161.421 1.4988 204.347  3.7927  203.063  5.9775  205.212  4.9069  160.851 2.3705 161.734 1.9353 -0.8833466     3.060185 
1 1 1 13 2  45 o 126.432 1.3197 125.353  2.6157  123.751  3.8088  126.783  3.5986  125.589 1.9345 127.126 1.8057 -1.537102      2.646313 
1 1 1 13 2  46 o 91.354  1.2899 65.448   1.8474  68.395   2.7803  63.118   2.4719  93.362  1.8996 89.695  1.7580 3.666672       2.588248 
1 1 1 13 2  47 o 73.414  1.4334 42.275   1.6497  40.123   2.6383  43.655   2.1138  71.480  2.3545 74.588  1.8078 -3.108154      2.968431 
1 1 1 13 2  48 o 141.604 1.4415 157.295  3.2000  154.521  5.0169  159.198  4.1550  140.267 2.2815 142.421 1.8610 -2.153671      2.944252 
1 1 1 13 2  49 o 59.434  1.5791 27.718   1.4713  28.077   2.0628  27.346   2.0991  59.788  2.2009 59.001  2.2694 0.7871170      3.161350 
1 1 1 13 2  50 o 60.102  1.5695 28.347   1.4788  28.829   2.0778  27.852   2.1051  60.577  2.1880 59.538  2.2554 1.039478       3.142310 
1 1 1 13 2  51 o 41.202  1.9118 13.332   1.2348  14.690   1.9781  12.464   1.5807  43.094  2.9457 39.728  2.5515 3.365288       3.897080 
1 1 1 13 2  52 o 72.487  1.4020 41.232   1.5931  40.570   2.2649  41.881   2.2413  71.860  2.0106 73.016  1.9581 -1.156456      2.806470 
1 1 1 13 2  53 o 47.869  1.4770 17.985   1.1084  19.175   1.7991  17.258   1.4071  49.377  2.3242 46.869  1.9151 2.507912       3.011590 
1 1 1 13 2  54 o 27.595  2.2553 6.0289   0.9671  5.5275   1.3797  6.5134   1.3561  26.233  3.4376 28.574  3.0759 -2.340790      4.612875 
1 1 1 13 2  55 o 88.512  1.3310 61.487   1.8468  58.624   2.7510  63.835   2.4918  86.353  2.0322 90.143  1.7633 -3.789421      2.690548 
1 1 1 13 2  56 o 65.354  1.5988 33.545   1.6380  30.381   2.1604  37.823   2.5123  62.139  2.2177 69.322  2.3118 -7.182938      3.203531 
1 1 1 13 2  57 f 25.848  2.3930 5.3060   0.9586  6.1741   1.2207  3.9093   1.5484  27.831  2.8376 21.734  4.6828 6.097698       5.475419 
1 1 1 13 2  58 o 45.157  1.6151 16.020   1.1433  15.808   1.3778  16.490   2.0489  44.833  1.9604 45.613  2.8801 -0.7801552     3.484009 
1 1 1 13 2  59 o 64.185  1.3396 32.345   1.3479  33.070   1.7403  31.258   2.1308  64.866  1.7114 63.014  2.1571 1.852467       2.753533 
1 1 1 13 2  60 o 62.164  1.3396 30.344   1.3055  32.242   1.7129  27.715   2.0164  64.043  1.7061 59.325  2.1681 4.718063       2.758920 
1 1 1 13 2  61 o 95.822  1.3286 72.105   1.9958  72.096   2.4538  72.121   3.4307  95.771  1.6344 95.660  2.2877 0.1118317      2.811531 
1 1 1 13 2  62 o 47.132  1.5877 17.462   1.1731  18.048   1.4124  16.159   2.1067  47.889  1.8813 45.079  2.9982 2.810436       3.539590 
1 1 1 13 2  63 o 36.591  1.6036 10.528   0.9199  10.184   1.1132  11.266   1.6333  35.905  1.9854 37.634  2.7883 -1.728451      3.422937 
1 1 1 13 2  64 f 61.698  1.5861 29.938   1.5342  27.617   2.4414  31.452   1.9722  59.086  2.6357 63.179  1.9912 -4.092987      3.303326 
1 1 1 13 2  65 o 56.184  1.5828 24.833   1.3941  21.763   2.3487  26.502   1.7322  52.303  2.8755 57.995  1.9053 -5.691509      3.449435 
1 1 1 13 2  66 o 22.681  2.9524 4.1539   1.0249  2.8540   1.8375  4.7409   1.2348  18.550  5.7360 24.162  3.3503 -5.611359      6.642739 
1 1 1 13 2  67 o 25.429  2.5897 5.1788   1.0180  6.2857   1.8683  4.7114   1.2140  27.522  4.4847 24.078  3.3032 3.444290       5.569907 
1 1 1 13 2  68 o 34.045  2.0255 9.1883   1.0762  5.8072   1.9879  10.590   1.2799  26.207  5.0214 36.513  2.2470 -10.30600      5.501195 
1 1 1 13 2  69 o 42.406  1.5388 14.166   1.0230  13.654   2.1251  14.320   1.1671  41.134  3.3239 42.606  1.7473 -1.471985      3.755190 
1 1 1 13 2  70 o 41.567  2.3443 13.759   1.5214  15.592   2.1651  11.971   2.1383  43.984  3.1610 38.351  3.5986 5.632874       4.789770 
1 1 1 13 2  71 o 31.141  2.8230 7.8162   1.3632  7.4557   1.8971  8.2010   1.9601  29.938  4.1540 31.456  4.0703 -1.517841      5.815738 
1 1 1 13 2  72 o 40.194  2.3512 12.901   1.4751  14.103   2.0611  11.639   2.1121  41.723  3.1749 37.696  3.6186 4.027241       4.813957 
1 1 1 13 2  73 o 8.5615  3.9388 -0.8040  1.2159  -1.5316  1.6450  0.0725   1.8054  9.3440  4.3925 12.080  5.2168 -2.735482      6.819738 
1 1 1 13 2  74 o 15.496  4.6438 2.0487   1.2171  -1.2401  1.8138  4.7422   1.6415  10.261  4.7525 23.468  4.6262 -13.20701      6.632320 
1 1 1 13 2  75 o 8.6875  3.9872 -0.7606  1.2357  0.3681   1.9125  -1.5696  1.6191  12.808  5.4467 9.1747  4.3267 3.632994       6.956071 
1 1 1 13 2  76 o 46.415  2.1400 17.156   1.5571  21.013   2.4742  14.626   2.0037  50.838  3.1197 42.426  3.0327 8.411755       4.350791 
1 1 1 13 2  77 o 11.762  4.3993 0.9421   1.0927  0.7476   1.4537  1.1949   1.6569  12.228  4.9283 13.701  5.3439 -1.473245      7.269464 
1 1 1 13 2  78 o 24.822  2.9870 5.0605   1.1390  5.1425   1.5128  4.9531   1.7305  24.569  4.0702 23.746  4.8134 0.8230839      6.303632 
1 1 1 13 2  79 o 22.306  4.8692 4.4224   1.6549  1.6603   4.6163  4.8297   1.7728  18.724  8.2099 23.262  5.0093 -4.538488      9.617503 
1 1 1 13 2  80 o 13.423  5.4940 0.9633   1.8393  -1.9918  4.6517  1.5109   2.0025  15.625  7.3579 14.784  5.8418 0.8413219      9.394971 
1 1 1 13 2  81 o 14.736  6.3147 0.9373   2.6062  -3.8809  4.4214  3.5027   3.2262  13.913  6.7183 19.249  7.4710 -5.336227      10.04746 
1 1 1 13 3  0  o 224.585 2.4963 395.548  8.7864  395.548  8.7864  395.548  8.7864  224.585 2.4963 224.585 2.4963 0.000000       0.000000 
1 1 1 13 3  1  o 329.680 2.4616 852.165  12.722  859.212  17.206  843.665  18.897  331.004 3.3158 327.978 3.6754 3.026184       4.950037 
1 1 1 13 3  2  f 352.089 2.7547 972.015  15.205  976.081  21.572  967.999  21.435  352.765 3.9007 351.302 3.8921 1.463043       5.510380 
1 1 1 13 3  3  o 158.154 1.6417 196.081  4.0702  190.526  5.6304  202.162  5.8907  155.889 2.3040 160.578 2.3401 -4.689255      3.283930 
1 1 1 13 3  4  o 209.590 1.8928 344.378  6.2190  348.907  8.8432  339.945  8.7477  210.947 2.6741 208.220 2.6799 2.726913       3.785848 
1 1 1 13 3  5  o 236.629 2.3533 439.005  8.7299  442.687  12.333  435.307  12.359  237.590 3.3111 235.600 3.3463 1.990128       4.707559 
1 1 1 13 3  6  f 492.407 4.6785 1902.46  36.115  1922.11  47.056  1874.29  56.336  494.772 6.0668 488.383 7.3583 6.389648       9.536749 
1 1 1 13 3  7  o 180.090 2.1935 254.275  6.1926  248.985  7.8164  263.194  10.149  178.194 2.7981 183.188 3.5340 -4.993668      4.507591 
1 1 1 13 3  8  o 556.898 4.7906 2433.69  41.823  2400.85  50.545  2504.99  74.481  552.979 5.8306 564.335 8.4189 -11.35571      10.24078 
1 1 1 13 3  9  o 181.441 1.8651 258.090  5.3049  251.234  6.8571  268.310  8.3724  179.004 2.4436 184.976 2.8872 -5.971939      3.782470 
1 1 1 13 3  10 o 322.158 2.9590 813.878  14.944  782.971  17.598  893.795  28.298  315.950 3.5530 337.429 5.3496 -21.47964      6.421982 
1 1 1 13 3  11 o 61.046  1.8329 29.216   1.7541  28.599   2.2964  30.079   2.7179  60.395  2.4255 61.933  2.7993 -1.538754      3.703926 
1 1 1 13 3  12 o 123.471 1.4605 119.511  2.8269  122.973  3.8375  115.404  4.1801  125.241 1.9545 121.322 2.1978 3.918564       2.941214 
1 1 1 13 3  13 o 199.425 1.7324 311.786  5.4159  306.668  7.1467  318.691  8.3005  197.768 2.3052 201.598 2.6264 -3.830246      3.494548 
1 1 1 13 3  14 o 189.596 1.7874 281.818  5.3126  298.956  7.7946  266.949  7.2601  195.256 2.5464 184.510 2.5100 10.74687       3.575521 
1 1 1 13 3  15 o 250.758 2.1232 493.014  8.3464  486.638  11.637  499.771  11.978  249.096 2.9799 252.433 3.0268 -3.336548      4.247521 
1 1 1 13 3  16 o 279.197 2.0569 611.180  9.0028  623.688  11.817  593.880  13.898  282.012 2.6730 275.161 3.2220 6.851379       4.186389 
1 1 1 13 3  17 o 120.950 1.3663 114.681  2.5907  119.429  3.4130  108.227  3.9793  123.423 1.7640 117.486 2.1606 5.937523       2.789208 
1 1 1 13 3  18 o 128.251 1.4557 128.947  2.9267  129.593  3.9265  128.139  4.3901  128.564 1.9482 127.836 2.1906 0.7278748      2.931583 
1 1 1 13 3  19 o 166.118 1.4254 216.333  3.7119  211.758  4.9641  222.136  5.5905  164.342 1.9268 168.316 2.1187 -3.974106      2.863818 
1 1 1 13 3  20 o 17.894  3.8318 2.6091   1.0425  3.7398   1.5178  1.5993   1.4343  21.412  4.6544 14.926  5.1014 6.486262       6.905591 
1 1 1 13 3  21 o 222.577 1.6749 388.404  5.8443  380.972  7.7876  397.987  8.8428  220.417 2.2537 225.275 2.5039 -4.857422      3.368827 
1 1 1 13 3  22 o 324.626 2.2014 826.360  11.203  821.663  15.086  832.136  16.727  323.648 2.9733 325.678 3.2763 -2.029999      4.424370 
1 1 1 13 3  23 o 358.931 2.5102 1010.39  14.125  1003.34  18.101  1021.36  22.585  357.613 3.2288 360.722 3.9939 -3.109222      5.135832 
1 1 1 13 3  24 o 78.811  1.3169 48.693   1.6271  50.044   2.2309  47.157   2.3782  79.892  1.7812 77.551  1.9562 2.341446       2.645661 
1 1 1 13 3  25 o 179.547 1.4312 252.733  4.0285  254.890  5.7089  250.595  5.6855  180.294 2.0199 178.768 2.0287 1.525726       2.862780 
1 1 1 13 3  26 o 204.089 1.5300 326.558  4.8951  322.037  6.8285  331.338  7.0210  202.650 2.1494 205.554 2.1788 -2.904251      3.060605 
1 1 1 13 3  27 o 68.875  1.3437 37.189   1.4509  38.983   2.0584  35.418   2.0454  70.511  1.8621 67.208  1.9413 3.302788       2.690045 
1 1 1 13 3  28 o 137.663 1.3009 148.570  2.8076  149.648  3.9783  147.501  3.9628  138.150 1.8369 137.155 1.8431 0.9945374      2.602131 
1 1 1 13 3  29 o 177.843 1.4311 247.964  3.9898  248.274  5.6292  247.650  5.6558  177.936 2.0181 177.712 2.0301 0.2242889      2.862513 
1 1 1 13 3  30 o 327.893 2.1336 843.135  10.967  843.885  15.480  842.380  15.540  327.961 3.0110 327.667 3.0252 0.2941284      4.268232 
1 1 1 13 3  31 o 460.656 2.8527 1664.80  20.601  1667.00  29.142  1662.61  29.127  460.755 4.0345 460.147 4.0378 0.6077576      5.707988 
1 1 1 13 3  32 o 156.836 1.3601 192.845  3.3441  195.342  4.7452  190.381  4.7133  157.832 1.9178 155.815 1.9296 2.017441       2.720548 
1 1 1 13 3  33 o 238.206 1.6882 444.911  6.3043  441.081  8.8175  448.917  9.0171  237.139 2.3719 239.234 2.4043 -2.095093      3.377332 
1 1 1 13 3  34 o 209.937 1.5619 345.567  5.1402  339.033  7.1327  352.627  7.4143  207.913 2.1884 212.038 2.2305 -4.125015      3.124749 
1 1 1 13 3  35 o 230.572 1.5917 416.851  5.7534  429.779  8.0374  403.266  8.2395  234.086 2.1902 226.742 2.3180 7.343735       3.189073 
1 1 1 13 3  36 o 100.093 1.2739 78.547   1.9989  80.319   2.8082  76.728   2.8458  101.205 1.7700 98.916  1.8352 2.289513       2.549675 
1 1 1 13 3  37 o 153.257 1.3448 184.153  3.2311  181.505  4.4983  186.975  4.6440  152.132 1.8862 154.406 1.9186 -2.273666      2.690432 
1 1 1 13 3  38 o 100.804 1.3298 79.670   2.1014  81.105   3.0853  78.429   2.8700  101.692 1.9354 100.003 1.8307 1.688988       2.664018 
1 1 1 13 3  39 o 173.376 1.4129 235.694  3.8401  228.672  5.2741  243.617  5.6023  170.747 1.9703 176.236 2.0278 -5.487946      2.827373 
1 1 1 13 3  40 o 143.022 1.3220 160.387  2.9640  168.596  4.2760  152.794  4.1122  146.614 1.8604 139.574 1.8794 7.040512       2.644462 
1 1 1 13 3  41 o 86.380  1.2794 58.505   1.7325  59.398   2.4250  57.573   2.4760  87.024  1.7775 85.675  1.8435 1.349571       2.560838 
1 1 1 13 3  42 o 65.907  1.3848 34.062   1.4308  33.977   1.9879  34.154   2.0609  65.812  1.9268 65.981  1.9924 -0.1691284     2.771668 
1 1 1 13 3  43 o 20.226  3.3770 3.3019   1.0330  3.2756   1.4311  3.3305   1.4927  19.993  4.6534 20.156  4.7939 -0.1632843     6.680983 
1 1 1 13 3  44 o 171.950 1.4087 231.881  3.7972  234.176  5.3692  229.585  5.3709  172.753 1.9826 171.049 2.0029 1.703842       2.818238 
1 1 1 13 3  45 o 101.580 1.2472 80.919   1.9862  81.709   2.8017  80.122   2.8160  102.051 1.7513 101.054 1.7776 0.9969177      2.495345 
1 1 1 13 3  46 o 62.124  1.4454 30.273   1.4076  28.480   2.0451  31.888   1.9404  60.228  2.1660 63.741  1.9419 -3.512581      2.909044 
1 1 1 13 3  47 o 61.007  1.4545 29.197   1.3910  32.728   2.1151  26.506   1.8465  64.562  2.0898 58.104  2.0271 6.458214       2.911454 
1 1 1 13 3  48 o 77.213  1.3473 46.769   1.6308  48.710   2.4668  45.261   2.1735  78.763  1.9979 75.934  1.8259 2.828873       2.706547 
1 1 1 13 3  49 f 182.059 1.6074 260.132  4.5877  265.760  6.5145  254.595  6.4618  183.905 2.2596 179.994 2.2900 3.910645       3.217163 
1 1 1 13 3  50 f 73.941  1.4240 42.901   1.6507  44.977   2.7107  41.677   2.0810  75.644  2.2859 72.853  1.8221 2.791069       2.923218 
1 1 1 13 3  51 o 32.808  2.1201 8.4940   1.0846  9.4909   1.5821  7.6103   1.4897  34.586  2.9462 30.917  3.1160 3.668175       4.288253 
1 1 1 13 3  52 o 79.844  1.4880 50.040   1.8625  53.345   2.5035  45.943   2.7871  82.398  1.9381 76.428  2.3262 5.970039       3.027771 
1 1 1 13 3  53 o 64.658  1.3053 32.808   1.3231  32.992   1.9532  32.652   1.7987  64.795  1.9228 64.472  1.7796 0.3227386      2.619993 
1 1 1 13 3  54 o 110.113 1.2861 95.155   2.2200  94.314   3.0650  96.083   3.2199  109.564 1.7845 110.576 1.8575 -1.011978      2.575770 
1 1 1 13 3  55 o 101.879 1.2837 81.462   2.0502  83.735   2.8675  79.085   2.9323  103.230 1.7719 100.309 1.8647 2.920998       2.572345 
1 1 1 13 3  56 o 106.441 1.4589 88.964   2.4344  93.394   3.8575  86.033   3.1382  108.923 2.2591 104.605 1.9137 4.317581       2.960711 
1 1 1 13 3  57 o 9.6755  4.0070 0.2023   0.9936  1.9061   1.4906  -1.1599  1.3328  15.739  5.1985 8.7224  4.0518 7.017030       6.591046 
1 1 1 13 3  58 o 42.799  1.6809 14.396   1.1278  14.544   1.5528  14.231   1.6407  42.906  2.3171 42.416  2.4782 0.4902344      3.392744 
1 1 1 13 3  59 o 37.506  1.6826 11.057   0.9893  12.282   1.3072  9.4166   1.5134  39.439  2.1222 34.410  2.8307 5.029099       3.537899 
1 1 1 13 3  60 o 27.229  2.2809 5.8839   0.9647  5.2139   1.1440  7.5326   1.7946  25.515  2.9123 30.535  3.8335 -5.019289      4.814229 
1 1 1 13 3  61 o 48.348  1.5301 18.372   1.1597  19.241   1.3954  16.429   2.0856  49.454  1.7998 45.466  2.9419 3.987885       3.448818 
1 1 1 13 3  62 o 17.781  3.3679 2.5927   0.9044  2.7562   1.0522  2.1301   1.7699  18.264  3.7985 16.683  5.6670 1.581507       6.822289 
1 1 1 13 3  63 o 34.329  1.7585 9.2993   0.9432  9.2611   1.0888  9.4142   1.8879  34.218  2.0389 34.189  3.5753 0.2938843E-01  4.115800 
1 1 1 13 3  64 o 51.114  2.0427 20.603   1.6369  22.759   2.0485  16.796   2.7224  53.653  2.4355 45.652  3.8396 8.001930       4.546888 
1 1 1 13 3  65 o 48.634  2.0727 18.667   1.5803  20.909   2.2660  16.543   2.2048  51.247  2.8316 45.490  3.1105 5.757137       4.206299 
1 1 1 13 3  66 o 47.472  2.3176 17.830   1.7248  17.499   2.2051  18.353   2.7682  46.784  3.0227 47.676  3.7336 -0.8918724     4.803815 
1 1 1 13 3  67 o 18.121  4.6049 2.7784   1.3108  0.1907   2.0947  4.4441   1.6806  13.319  5.6831 22.912  4.8310 -9.592896      7.458912 
1 1 1 13 3  68 o 21.341  3.5637 3.7559   1.1502  2.5664   2.0373  4.3125   1.3936  17.842  6.0798 22.756  4.0552 -4.913740      7.308169 
1 1 1 13 3  69 o 96.347  1.4576 73.120   2.2016  74.578   4.1195  72.538   2.6048  96.715  2.7171 95.864  1.7332 0.8506393      3.222807 
1 1 1 13 3  70 o 39.658  1.9534 12.448   1.2144  12.656   2.4345  12.380   1.4012  39.200  4.0184 39.417  2.2773 -0.2167625     4.618856 
1 1 1 13 3  71 o 56.947  1.5548 25.591   1.3880  25.806   2.4819  25.494   1.6743  56.764  2.7891 56.750  1.8820 0.1464462E-01  3.364620 
1 1 1 13 3  72 o 36.991  2.8379 11.044   1.6331  12.527   2.1699  9.1067   2.4804  39.086  3.5811 32.584  5.0168 6.502140       6.163770 
1 1 1 13 3  73 o 28.555  3.4471 6.7174   1.5119  7.0111   1.7533  5.8658   2.9854  28.962  3.9659 24.909  7.2236 4.052420       8.240713 
1 1 1 13 3  74 f 18.125  5.0950 2.8873   1.5080  2.4387   1.7946  3.9653   2.7817  16.948  5.7066 20.878  7.1044 -3.929825      9.112494 
1 1 1 13 3  75 o 25.177  4.4882 5.4438   1.7065  3.6031   2.4878  7.0796   2.3453  19.976  6.7189 28.237  5.4958 -8.260668      8.680354 
1 1 1 13 3  76 o 30.296  3.0737 7.5106   1.4396  7.0412   1.8456  8.2401   2.3007  28.809  4.2108 30.798  4.9316 -1.989285      6.484703 
1 1 1 13 3  77 o 10.967  4.4490 0.5430   1.1929  1.1834   1.4484  -0.8079  2.1035  13.190  5.0351 11.587  5.2738 1.602881       7.291470 
1 1 1 13 3  78 o 43.933  2.3680 15.526   1.6249  16.872   2.1030  13.533   2.5594  45.477  2.9661 39.970  4.1449 5.507317       5.096835 
1 1 1 13 3  79 o 11.707  5.0894 0.1171   1.7412  3.7421   3.2055  -1.4000  2.0738  19.947  7.5201 10.725  5.0061 9.221387       9.034025 
1 1 1 13 3  80 o 11.029  4.9267 -0.2752  1.7393  -4.1233  3.0656  1.5516   2.1121  11.132  5.4257 14.922  5.9664 -3.790022      8.064475 
1 1 1 13 4  0  o 25.364  9.2638 6.7294   3.3953  6.7294   3.3953  6.7294   3.3953  25.364  9.2638 25.364  9.2638 0.000000       0.000000 
1 1 1 13 4  1  o 69.763  3.2205 38.171   3.5222  37.480   5.1346  38.784   4.8406  68.941  4.7804 70.165  4.4234 -1.224533      6.512973 
1 1 1 13 4  2  o 400.142 4.3736 1256.37  27.435  1229.36  38.112  1285.42  39.524  395.612 6.1453 404.519 6.2326 -8.906799      8.752720 
1 1 1 13 4  3  o 308.361 3.5066 745.837  16.951  758.941  24.616  734.019  23.377  310.943 5.0498 305.810 4.8762 5.133179       7.019834 
1 1 1 13 4  4  o 390.079 3.4897 1193.52  21.340  1243.93  31.577  1151.15  28.952  398.080 5.0599 382.971 4.8223 15.10886       6.989805 
1 1 1 13 4  5  o 280.346 2.4798 616.264  10.899  622.686  16.863  611.656  14.282  281.734 3.8179 279.260 3.2624 2.474609       5.021961 
1 1 1 13 4  6  o 233.515 1.9235 427.512  7.0416  428.785  10.617  426.511  9.4085  233.830 2.8964 233.221 2.5734 0.6087036      3.874436 
1 1 1 13 4  7  o 289.774 2.2336 658.375  10.147  660.041  15.310  657.071  13.549  290.085 3.3666 289.453 2.9860 0.6324768      4.500055 
1 1 1 13 4  8  f 346.346 2.7298 940.682  14.821  945.297  21.150  936.228  20.776  347.113 3.8867 345.448 3.8365 1.665039       5.461223 
1 1 1 13 4  9  o 165.285 1.5109 214.167  3.9149  203.903  5.3571  225.930  5.7351  161.264 2.1190 169.751 2.1551 -8.486374      3.022409 
1 1 1 13 4  10 o 297.269 2.1638 692.877  10.084  703.601  14.492  682.810  14.040  299.514 3.0864 295.058 3.0352 4.455353       4.328794 
1 1 1 13 4  11 o 382.559 2.7964 1147.75  16.771  1157.63  22.701  1135.88  24.885  384.120 3.7698 380.453 4.1724 3.667114       5.623190 
1 1 1 13 4  12 o 125.583 1.4784 123.638  2.9106  128.687  4.4940  119.990  3.8200  128.109 2.2377 123.709 1.9697 4.399612       2.981100 
1 1 1 13 4  13 o 168.483 1.5218 222.540  4.0196  222.628  5.7104  222.453  5.6590  168.502 2.1618 168.436 2.1431 0.6570435E-01  3.044061 
1 1 1 13 4  14 o 267.459 2.1033 560.891  8.8190  549.258  12.983  570.858  12.017  264.618 3.1297 269.788 2.8413 -5.170258      4.227028 
1 1 1 13 4  15 o 256.717 1.9417 516.715  7.8144  506.119  10.852  528.128  11.262  254.038 2.7249 259.500 2.7684 -5.462585      3.884451 
1 1 1 13 4  16 o 185.384 1.5189 269.428  4.4142  259.953  5.8070  282.396  6.7936  182.083 2.0344 189.773 2.2836 -7.689728      3.058331 
1 1 1 13 4  17 o 384.173 2.4351 1157.40  14.665  1155.52  20.692  1159.30  20.788  383.770 3.4394 384.395 3.4497 -0.6255798     4.871324 
1 1 1 13 4  18 o 20.952  3.0843 3.5174   0.9827  5.1868   1.3215  1.4523   1.4699  25.488  3.3916 14.596  5.1538 10.89204       6.169625 
1 1 1 13 4  19 o 235.071 1.6768 433.239  6.1792  437.823  8.8166  428.812  8.6630  236.282 2.3802 233.839 2.3632 2.443176       3.354095 
1 1 1 13 4  20 o 360.922 2.3094 1021.54  13.067  1012.79  18.298  1030.66  18.665  359.289 3.2487 362.440 3.2851 -3.151184      4.620128 
1 1 1 13 4  21 o 271.039 1.7735 575.988  7.5358  577.269  10.255  574.486  11.110  271.307 2.4112 270.639 2.6187 0.6677551      3.559689 
1 1 1 13 4  22 o 296.754 1.8958 690.500  8.8194  694.120  12.053  686.330  12.939  297.488 2.5845 295.798 2.7903 1.689453       3.803335 
1 1 1 13 4  23 o 325.168 2.0375 829.112  10.386  828.955  14.124  829.297  15.327  325.082 2.7715 325.128 3.0070 -0.4580688E-01 4.089407 
1 1 1 13 4  24 o 99.552  1.2678 77.695   1.9786  79.169   2.5809  75.593   3.0815  100.487 1.6384 98.185  2.0020 2.301781       2.586920 
1 1 1 13 4  25 o 63.705  1.3443 31.816   1.3425  32.748   1.8243  30.715   1.9827  64.627  1.8006 62.586  2.0208 2.040787       2.706680 
1 1 1 13 4  26 o 214.252 1.5202 359.894  5.1060  361.269  6.9446  358.276  7.5331  214.639 2.0639 213.740 2.2482 0.8996429      3.051877 
1 1 1 13 4  27 o 130.758 1.2965 134.041  2.6577  135.227  3.7294  132.817  3.7883  131.324 1.8115 130.148 1.8568 1.176895       2.594058 
1 1 1 13 4  28 o 169.880 1.3589 226.254  3.6190  228.904  4.9331  223.165  5.3256  170.858 1.8418 168.697 2.0138 2.161560       2.728970 
1 1 1 13 4  29 o 219.629 1.6051 378.205  5.5264  382.197  7.2883  372.805  8.4768  220.762 2.1060 218.012 2.4803 2.750275       3.253724 
1 1 1 13 4  30 f 105.939 1.2410 87.986   2.0610  84.459   2.7241  92.708   3.1518  103.787 1.6743 108.733 1.8490 -4.945908      2.494409 
1 1 1 13 4  31 o 329.389 2.0594 850.872  10.634  853.379  13.576  846.890  17.108  329.822 2.6257 328.484 3.3222 1.337952       4.234492 
1 1 1 13 4  32 o 194.439 1.4455 296.419  4.4061  292.533  5.8972  301.329  6.6292  193.140 1.9477 196.012 2.1574 -2.871552      2.906503 
1 1 1 13 4  33 o 41.817  1.8406 13.713   1.2066  14.380   1.6201  12.881   1.8082  42.747  2.4276 40.414  2.8727 2.333145       3.761089 
1 1 1 13 4  34 o 147.785 1.2997 171.233  3.0111  170.919  4.0541  171.619  4.4971  147.636 1.7516 147.931 1.9392 -0.2949524     2.613180 
1 1 1 13 4  35 o 130.549 1.2630 133.620  2.5849  135.435  3.5123  131.475  3.8180  131.420 1.7048 129.479 1.8810 1.941406       2.538579 
1 1 1 13 4  36 o 104.604 1.2386 85.787   2.0312  84.102   2.7203  87.911   3.0535  103.561 1.6756 105.876 1.8397 -2.314560      2.488391 
1 1 1 13 4  37 o 35.742  2.0498 10.053   1.1438  8.5216   1.5164  12.075   1.7421  32.814  2.9803 39.119  2.8605 -6.305790      4.130957 
1 1 1 13 4  38 o 222.728 1.5647 389.012  5.4635  397.042  7.5266  380.069  7.9434  224.973 2.1341 220.098 2.3022 4.875793       3.139158 
1 1 1 13 4  39 o 83.717  1.2795 54.952   1.6793  52.752   2.2376  57.790   2.5410  82.013  1.7404 85.835  1.8883 -3.822128      2.568003 
1 1 1 13 4  40 o 187.841 1.4208 276.686  4.1840  275.328  5.6522  278.332  6.2229  187.346 1.9245 188.350 2.1075 -1.004639      2.854023 
1 1 1 13 4  41 o 118.975 1.2339 110.991  2.3014  106.626  3.0496  116.766  3.5075  116.595 1.6684 122.005 1.8338 -5.409714      2.479253 
1 1 1 13 4  42 o 70.763  1.3334 39.268   1.4792  40.722   2.0253  37.606   2.1656  72.048  1.7931 69.229  1.9955 2.818764       2.682763 
1 1 1 13 4  43 o 129.446 1.2513 131.401  2.5393  132.945  3.4535  129.584  3.7465  130.179 1.6922 128.512 1.8597 1.667297       2.514352 
1 1 1 13 4  44 o 46.225  1.6083 16.763   1.1654  18.400   1.5935  14.880   1.7089  48.416  2.0995 43.452  2.5195 4.963734       3.279622 
1 1 1 13 4  45 o 91.223  1.2814 65.267   1.8325  67.578   2.6315  63.091   2.5533  92.796  1.8089 89.662  1.8165 3.133919       2.563581 
1 1 1 13 4  46 o 79.452  1.3070 49.516   1.6279  47.002   2.2629  52.211   2.3436  77.381  1.8654 81.558  1.8330 -4.177368      2.615245 
1 1 1 13 4  47 o 53.217  1.5429 22.223   1.2872  23.159   1.9286  21.472   1.7285  54.291  2.2660 52.285  2.1088 2.006500       3.095390 
1 1 1 13 4  48 o 95.878  1.3608 72.123   2.0453  70.242   2.8991  73.986   2.8859  94.572  1.9555 97.065  1.8965 -2.493019      2.724096 
1 1 1 13 4  49 o 141.912 1.4428 158.040  3.2099  158.001  4.5728  158.078  4.5069  141.809 2.0569 141.849 2.0267 -0.3964233E-01 2.887670 
1 1 1 13 4  50 o 80.691  1.3881 51.095   1.7559  48.124   2.4867  54.049   2.4798  78.258  2.0269 82.948  1.9070 -4.689438      2.783030 
1 1 1 13 4  51 o 83.086  1.3059 54.171   1.7010  54.371   2.5761  54.017   2.2649  83.179  1.9756 82.932  1.7421 0.2473145      2.633990 
1 1 1 13 4  52 o 46.091  1.7447 16.688   1.2607  14.245   1.7609  19.256   1.8057  42.442  2.6601 49.470  2.3283 -7.028248      3.535093 
1 1 1 13 4  53 o 99.230  1.3917 77.294   2.1649  78.922   3.0574  75.657   3.0659  100.199 1.9464 98.098  1.9937 2.101105       2.786242 
1 1 1 13 4  54 o 36.704  2.0497 10.628   1.1747  11.481   1.6643  9.7815   1.6582  38.049  2.8102 35.065  3.0468 2.983971       4.144885 
1 1 1 13 4  55 o 8.5735  3.7423 -0.1863  0.9496  -2.5284  1.6272  1.0231   1.1693  8.4524  4.0801 12.528  4.5747 -4.075954      6.129900 
1 1 1 13 4  56 o 35.653  1.8360 10.021   1.0227  9.7535   1.6374  10.191   1.3095  35.004  3.0132 35.894  2.3400 -0.8894615     3.815137 
1 1 1 13 4  57 o 43.657  1.5438 14.973   1.0565  14.504   1.5771  15.356   1.4231  42.838  2.3575 44.172  2.0551 -1.333920      3.127533 
1 1 1 13 4  58 o 37.911  2.0126 11.344   1.1919  9.9005   1.8785  12.316   1.5420  35.164  3.4521 39.435  2.5073 -4.270252      4.266582 
1 1 1 13 4  59 o 83.222  1.4490 54.411   1.8904  56.508   2.5763  51.965   2.7824  84.734  1.9395 81.212  2.1854 3.522018       2.921948 
1 1 1 13 4  60 o 38.636  1.8813 11.749   1.1395  11.366   1.5850  12.159   1.6394  37.828  2.6903 39.131  2.6889 -1.302998      3.803615 
1 1 1 13 4  61 o 50.443  1.4822 19.999   1.1721  20.379   1.5526  19.496   1.7873  50.869  1.9469 49.709  2.2935 1.159836       3.008446 
1 1 1 13 4  62 o 90.934  1.3448 64.974   1.9171  66.065   2.6490  63.775   2.7780  91.595  1.8448 89.964  1.9697 1.630508       2.698722 
1 1 1 13 4  63 o 33.316  2.0114 8.7834   1.0456  8.5277   1.1471  10.040   2.5424  32.787  2.2453 34.917  4.7695 -2.129818      5.271521 
1 1 1 13 4  64 o 34.261  1.8345 9.2769   0.9817  9.2044   1.0576  9.7283   2.6390  34.102  1.9869 34.201  5.0761 -0.9855270E-01 5.451107 
1 1 1 13 4  65 o 41.508  2.5160 13.705   1.6295  12.743   2.0339  15.428   2.7227  39.813  3.2882 43.573  4.0316 -3.759609      5.202519 
1 1 1 13 4  66 o 65.333  1.9160 33.695   1.9623  33.063   2.3944  34.989   3.4245  64.597  2.3645 66.115  3.3040 -1.518044      4.062893 
1 1 1 13 4  67 o 21.814  4.0551 3.9721   1.3357  4.1156   1.8416  3.8128   1.9401  21.833  5.4086 20.973  5.7356 0.8594265      7.883583 
1 1 1 13 4  68 o 33.105  2.6210 8.7806   1.3491  9.5950   1.9608  8.0484   1.8591  34.257  3.7104 31.285  3.8735 2.972038       5.363841 
1 1 1 13 4  69 o 62.129  2.0113 30.573   1.9589  30.787   2.5340  30.255   3.0881  62.130  2.6017 61.229  3.2286 0.9009628      4.146409 
1 1 1 13 4  70 f 23.027  3.4549 4.3804   1.2087  3.6043   1.8339  4.9764   1.6072  20.225  5.5953 24.227  4.3934 -4.001667      7.114034 
1 1 1 13 4  71 o 17.659  4.0993 2.6630   1.1130  3.5420   2.1636  2.3467   1.2979  19.957  6.2330 16.517  4.7552 3.440372       7.839753 
1 1 1 13 4  72 o 51.125  1.7766 20.697   1.4239  24.891   2.7990  19.232   1.6539  55.337  3.2407 49.170  2.1457 6.167271       3.886645 
1 1 1 13 4  73 f 22.568  3.7595 4.2784   1.2833  3.2800   2.1544  4.8274   1.5976  19.192  6.2456 23.708  4.4624 -4.516043      7.676015 
1 1 1 13 4  74 o 32.006  2.5715 8.2660   1.2794  8.4565   2.0777  8.1497   1.6237  31.594  4.3071 31.473  3.3420 0.1207027      5.451651 
1 1 1 13 4  75 o 10.118  4.5821 -0.6293  1.5635  -0.3324  1.9915  -1.1062  2.5243  11.905  5.2983 12.447  5.7074 -0.5416183     7.787519 
1 1 1 13 4  76 o 11.670  4.9887 0.2430   1.6196  -0.1144  2.1269  0.7363   2.4987  12.542  5.5336 14.620  6.2217 -2.077501      8.326488 
1 1 1 13 4  77 f 20.166  4.8782 3.6282   1.5254  3.5600   1.8614  3.7676   2.6617  19.682  5.7029 20.044  6.9448 -0.3622341     8.986246 
1 1 1 13 4  78 o 41.502  3.0397 14.137   1.9639  14.658   3.6751  13.928   2.3234  39.772  6.0883 40.777  3.6741 -1.005772      7.110972 
1 1 1 13 4  79 o 12.559  5.1720 0.7840   1.6426  1.6132   3.3848  0.5285   1.8787  16.798  7.1973 12.662  5.3919 4.136436       8.993001 
1 1 1 13 5  0  o 258.587 2.5209 524.385  10.217  524.385  10.217  524.385  10.217  258.587 2.5209 258.587 2.5209 -0.000000      0.000000 
1 1 1 13 5  1  o 150.897 1.3337 178.501  3.1551  177.135  4.4357  179.899  4.4886  150.309 1.8825 151.477 1.8902 -1.168213      2.667686 
1 1 1 13 5  2  o 67.405  1.4081 35.618   1.4879  35.564   2.0132  35.683   2.2088  67.350  1.9068 67.461  2.0886 -0.1116486     2.828083 
1 1 1 13 5  3  o 85.308  1.4749 57.051   1.9724  56.893   2.6196  57.258   2.9970  85.184  1.9617 85.454  2.2372 -0.2696228     2.975445 
1 1 1 13 5  4  o 192.163 1.5511 289.492  4.6726  286.342  6.8405  292.247  6.3978  191.095 2.2834 193.061 2.1139 -1.965332      3.111664 
1 1 1 13 5  5  o 158.964 1.4218 198.099  3.5431  195.645  5.1667  200.278  4.8680  157.962 2.0864 159.826 1.9429 -1.863083      2.850987 
1 1 1 13 5  6  o 27.949  2.6342 6.1806   1.1406  7.0664   1.6033  5.2730   1.6229  29.808  3.4976 25.588  4.1909 4.219965       5.458638 
1 1 1 13 5  7  o 203.994 1.6899 326.249  5.4042  318.862  7.4253  334.570  7.8804  201.651 2.3489 206.555 2.4337 -4.903885      3.382279 
1 1 1 13 5  8  o 440.008 3.1660 1518.71  21.839  1517.02  29.176  1520.87  32.935  439.631 4.2333 440.108 4.7735 -0.4768066     6.380251 
1 1 1 13 5  9  o 193.961 1.7275 294.947  5.2529  290.444  6.9247  301.051  8.0615  192.458 2.2952 195.930 2.6246 -3.471497      3.486571 
1 1 1 13 5  10 o 237.313 1.9459 441.558  7.2394  439.963  9.6266  443.635  10.983  236.859 2.5926 237.829 2.9459 -0.9694824     3.924226 
1 1 1 13 5  11 o 138.011 1.5317 149.323  3.3138  148.170  4.4005  150.833  5.0366  137.468 2.0420 138.691 2.3165 -1.223618      3.088014 
1 1 1 13 5  12 o 18.115  4.2033 2.6796   1.1706  2.6234   1.6181  2.7414   1.6956  18.135  5.3350 18.542  5.4633 -0.4064217     7.636100 
1 1 1 13 5  13 o 214.412 1.8435 360.451  6.1966  353.647  8.1604  369.717  9.5232  212.356 2.4513 217.111 2.7980 -4.754562      3.719896 
1 1 1 13 5  14 o 293.950 2.1616 677.557  9.9609  688.605  14.293  667.123  13.890  296.276 3.0773 291.621 3.0382 4.654877       4.324389 
1 1 1 13 5  15 o 67.133  1.5345 35.334   1.6150  37.068   2.3233  33.712   2.2465  68.754  2.1555 65.568  2.1856 3.186363       3.069676 
1 1 1 13 5  16 o 198.945 1.5967 310.305  4.9796  305.749  7.2873  314.295  6.8203  197.452 2.3542 200.200 2.1731 -2.748154      3.203906 
1 1 1 13 5  17 o 162.196 1.4528 206.249  3.6939  208.376  5.5131  204.516  4.9761  163.011 2.1574 161.500 1.9655 1.510986       2.918426 
1 1 1 13 5  18 o 172.345 1.4295 232.867  3.8622  239.290  5.5544  226.854  5.3740  174.689 2.0282 170.089 2.0154 4.599564       2.859324 
1 1 1 13 5  19 o 151.337 1.3703 179.553  3.2509  182.785  4.6702  176.515  4.5282  152.679 1.9512 150.038 1.9252 2.640564       2.741064 
1 1 1 13 5  20 o 220.656 1.5579 381.733  5.3890  386.145  7.4147  376.792  7.8460  221.905 2.1314 219.193 2.2833 2.711136       3.123551 
1 1 1 13 5  21 o 224.079 1.5721 393.672  5.5226  397.347  7.5782  389.511  8.0647  225.099 2.1475 222.860 2.3084 2.238464       3.152838 
1 1 1 13 5  22 o 115.240 1.2363 104.112  2.2334  103.837  3.0476  104.431  3.2825  115.080 1.6893 115.407 1.8143 -0.3264618     2.479014 
1 1 1 13 5  23 o 120.185 1.2482 113.238  2.3518  116.743  3.2420  109.344  3.4168  122.022 1.6948 118.089 1.8457 3.932877       2.505757 
1 1 1 13 5  24 o 154.796 1.3749 187.857  3.3363  188.115  4.3647  187.496  5.1746  154.891 1.7975 154.625 2.1347 0.2660065      2.790742 
1 1 1 13 5  25 o 152.912 1.3208 183.311  3.1661  185.277  4.3321  181.057  4.6386  153.717 1.7977 151.952 1.9473 1.764938       2.650217 
1 1 1 13 5  26 o 84.534  1.2818 56.023   1.6986  56.729   2.3196  55.205   2.4943  85.059  1.7396 83.906  1.8963 1.153236       2.573345 
1 1 1 13 5  27 o 242.766 1.7277 462.114  6.5753  466.223  9.3510  458.096  9.2476  243.801 2.4466 241.667 2.4409 2.133743       3.456043 
1 1 1 13 5  28 f 86.363  1.4674 58.478   1.9867  57.428   2.5707  60.035   3.1304  85.577  1.9162 87.489  2.2824 -1.912376      2.980123 
1 1 1 13 5  29 o 190.044 1.5677 283.181  4.6705  284.936  6.3620  281.130  6.8783  190.608 2.1291 189.320 2.3175 1.287186       3.147086 
1 1 1 13 5  30 o 263.867 1.8313 545.985  7.5752  541.868  10.628  550.236  10.800  262.814 2.5795 264.834 2.6013 -2.019623      3.663467 
1 1 1 13 5  31 o 262.431 1.8996 540.089  7.8149  545.958  10.687  533.343  11.457  263.799 2.5843 260.713 2.8031 3.086121       3.812597 
1 1 1 13 5  32 o 339.812 2.3087 905.788  12.299  895.821  17.994  914.526  16.848  337.789 3.3980 341.337 3.1486 -3.547394      4.632492 
1 1 1 13 5  33 o 93.418  1.3524 68.423   1.9806  69.052   2.7977  67.792   2.8042  93.834  1.9019 92.973  1.9239 0.8605499      2.705328 
1 1 1 13 5  34 o 135.489 1.3514 143.931  2.8705  143.919  4.0552  143.945  4.0637  135.464 1.9096 135.475 1.9134 -0.1208496E-01 2.703267 
1 1 1 13 5  35 o 68.548  1.4764 36.844   1.5866  34.380   2.1692  39.679   2.3267  66.204  2.0901 71.123  2.0867 -4.919540      2.953442 
1 1 1 13 5  36 o 232.460 1.6872 423.780  6.1486  430.055  8.7748  417.728  8.6183  234.114 2.3909 230.735 2.3826 3.378830       3.375359 
1 1 1 13 5  37 o 89.041  1.3500 62.166   1.8844  60.052   2.6112  64.464   2.7222  87.499  1.9036 90.655  1.9155 -3.156174      2.700511 
1 1 1 13 5  38 o 50.870  1.7120 20.296   1.3653  18.618   1.8965  22.102   1.9670  48.640  2.4956 53.070  2.3643 -4.429317      3.437729 
1 1 1 13 5  39 o 226.647 1.6597 402.901  5.8971  402.537  8.3196  403.269  8.3601  226.473 2.3433 226.678 2.3526 -0.2047272     3.320535 
1 1 1 13 5  40 o 173.913 1.4501 237.202  3.9536  240.984  5.6538  233.584  5.5307  175.245 2.0580 172.535 2.0448 2.710388       2.901128 
1 1 1 13 5  41 o 104.664 1.3049 85.908   2.1410  89.098   3.0755  82.908   2.9822  106.564 1.8410 102.795 1.8506 3.768532       2.610378 
1 1 1 13 5  42 o 113.463 1.2394 100.960  2.2046  101.465  2.9900  100.357  3.2635  113.724 1.6771 113.091 1.8408 0.6328812      2.490227 
1 1 1 13 5  43 o 117.296 1.3560 107.913  2.4934  109.423  3.4192  106.198  3.6440  118.080 1.8471 116.315 1.9985 1.765350       2.721319 
1 1 1 13 5  44 o 85.369  1.3540 57.167   1.8120  55.765   2.4404  58.889   2.7052  84.289  1.8469 86.608  1.9925 -2.319672      2.716769 
1 1 1 13 5  45 o 92.745  1.3378 67.476   1.9451  66.692   2.6416  68.404   2.8746  92.173  1.8281 93.337  1.9646 -1.164711      2.683580 
1 1 1 13 5  46 o 66.872  1.4182 35.086   1.4868  34.088   2.0027  36.311   2.2192  65.885  1.9390 67.990  2.0820 -2.104683      2.845099 
1 1 1 13 5  47 o 36.387  1.9563 10.429   1.1118  10.234   1.5044  10.665   1.6504  35.963  2.6879 36.691  2.8928 -0.7277527     3.948818 
1 1 1 13 5  48 o 71.658  1.4991 40.302   1.6841  40.581   2.1530  39.862   2.7030  71.876  1.9108 71.189  2.4221 0.6866074      3.085028 
1 1 1 13 5  49 o 137.077 1.3822 147.462  2.9702  143.696  3.9953  152.116  4.4410  135.244 1.8844 139.123 2.0362 -3.879349      2.774387 
1 1 1 13 5  50 o 37.393  1.8870 11.014   1.1026  11.584   1.5848  10.480   1.5350  38.259  2.6588 36.374  2.7115 1.884842       3.797530 
1 1 1 13 5  51 o 159.402 1.4420 199.470  3.6033  196.863  5.2915  201.723  4.9205  158.213 2.1335 160.196 1.9593 -1.982986      2.896652 
1 1 1 13 5  52 o 17.038  3.7654 2.3895   0.9790  2.1258   1.4297  2.6224   1.3433  16.323  5.0616 17.820  4.7298 -1.496975      6.927517 
1 1 1 13 5  53 o 59.810  1.5131 28.094   1.4187  29.334   2.2537  27.279   1.8259  61.033  2.3555 58.897  1.9776 2.136158       3.075545 
1 1 1 13 5  54 o 106.730 1.4240 89.451   2.3826  89.685   3.6569  89.279   3.1407  106.739 2.1854 106.556 1.8802 0.1831741      2.882885 
1 1 1 13 5  55 o 17.022  4.5305 2.3962   1.2303  1.4271   1.8123  3.2246   1.6755  15.140  5.6650 19.689  5.3078 -4.549037      7.763010 
1 1 1 13 5  56 f 22.267  3.4091 4.0184   1.1521  5.3389   1.5664  2.4621   1.7005  25.596  4.0375 17.535  5.5334 8.060886       6.849830 
1 1 1 13 5  57 o 17.452  3.8246 2.5160   1.0175  1.2275   1.4427  3.7912   1.4352  13.763  5.0729 21.397  4.4249 -7.633821      6.731607 
1 1 1 13 5  58 o 18.745  3.4746 2.8775   0.9835  4.2159   1.4551  1.7519   1.3344  22.612  4.2611 15.008  4.9168 7.604241       6.506354 
1 1 1 13 5  59 o 35.226  2.2582 9.8253   1.2405  8.5498   1.8769  10.815   1.6529  32.550  3.7467 36.851  2.8842 -4.301472      4.728233 
1 1 1 13 5  60 o 43.120  1.8097 14.636   1.2233  13.768   2.0714  15.100   1.5159  41.517  3.2076 43.697  2.2203 -2.180748      3.901035 
1 1 1 13 5  61 o 50.835  1.8920 20.358   1.5078  21.469   1.8451  18.124   2.6162  52.149  2.2569 47.547  3.5352 4.602337       4.194205 
1 1 1 13 5  62 o 10.785  4.3044 0.5008   1.0972  -0.9716  1.3956  2.8837   1.7754  9.1992  4.2276 18.611  5.6160 -9.411282      7.029360 
1 1 1 13 5  63 o 59.853  1.3925 28.171   1.3066  28.994   1.7017  26.989   2.0394  60.658  1.7895 58.438  2.2262 2.219933       2.856269 
1 1 1 13 5  64 o 15.925  3.5802 2.1113   0.8721  2.1558   1.0603  2.0184   1.5332  16.037  4.1763 15.925  5.2730 0.1124306      6.726498 
1 1 1 13 5  65 o 19.042  2.5480 2.9279   0.7416  3.0127   0.8556  2.6719   1.4865  19.234  2.9304 17.769  5.0810 1.464619       5.865453 
1 1 1 13 5  66 o 49.496  2.0517 19.379   1.5919  19.617   2.1539  19.093   2.3634  49.535  2.7850 48.750  3.1087 0.7850227      4.173709 
1 1 1 13 5  67 o 27.701  3.0554 6.2183   1.3048  6.2433   1.7913  6.1901   1.9044  27.327  4.3254 27.082  4.6532 0.2449589      6.353074 
1 1 1 13 5  68 o 34.179  2.6116 9.3727   1.3887  10.383   1.9051  8.2276   2.0286  35.689  3.4481 31.427  4.2246 4.262327       5.453133 
1 1 1 13 5  69 o 19.329  4.2889 3.1915   1.2657  2.0762   1.7418  4.4391   1.8422  16.099  5.6157 22.498  5.3090 -6.398792      7.727986 
1 1 1 13 5  70 o 58.739  1.8767 27.339   1.7281  27.401   2.3738  27.269   2.5207  58.522  2.5875 58.301  2.7579 0.2208824      3.781694 
1 1 1 13 5  71 f 14.736  4.8148 1.8032   1.2799  0.2012   1.7786  3.5234   1.8431  12.165  5.2149 19.864  5.6499 -7.699198      7.688770 
1 1 1 13 5  72 o 9.2839  4.0813 -0.1825  1.1473  -0.1347  1.7202  -0.2208  1.5398  11.416  5.0084 10.686  4.7118 0.7298851      6.876418 
1 1 1 13 5  73 o 17.136  4.7318 2.5687   1.3130  2.0173   1.7162  3.3469   2.0389  15.748  5.5680 19.269  6.0560 -3.521939      8.226627 
1 1 1 13 5  74 o 10.980  4.3292 0.6599   1.0975  0.7564   1.9715  0.6166   1.3211  13.534  5.6279 11.546  4.6825 1.988167       7.321164 
1 1 1 13 5  75 o 30.094  3.3073 7.4826   1.5346  6.1009   2.0770  9.1436   2.2772  26.156  5.2480 32.587  4.5844 -6.431187      6.968358 
1 1 1 13 5  76 f 17.144  5.5098 2.6203   1.6802  -1.0217  2.7394  4.8164   2.1272  12.942  5.9386 22.737  5.9125 -9.794738      8.380077 
1 1 1 13 5  77 o 12.532  5.0976 0.8198   1.5713  0.1772   2.7924  1.1175   1.9008  14.274  6.3168 13.846  5.6161 0.4279757      8.452431 
1 1 1 13 5  78 o 13.337  5.1937 1.2351   1.5632  1.3045   2.7710  1.2028   1.8932  15.541  6.5802 13.893  5.6154 1.648496       8.650562 
1 1 1 13 6  0  o 140.028 1.7387 153.781  3.8155  153.781  3.8155  153.781  3.8155  140.028 1.7387 140.028 1.7387 0.000000       0.000000 
1 1 1 13 6  1  o 145.344 1.2482 165.606  2.8440  161.706  3.9516  169.798  4.0964  143.613 1.7552 147.163 1.7756 -3.549301      2.496706 
1 1 1 13 6  2  o 171.422 1.3194 230.366  3.5457  230.556  5.0159  230.177  5.0130  171.480 1.8659 171.339 1.8663 0.1408539      2.639050 
1 1 1 13 6  3  o 192.900 1.3926 291.714  4.2113  295.277  6.0019  288.259  5.9104  194.058 1.9729 191.738 1.9663 2.319519       2.785455 
1 1 1 13 6  4  o 268.689 1.7093 566.020  7.1997  566.955  10.207  565.094  10.157  268.877 2.4214 268.436 2.4137 0.4410706      3.418983 
1 1 1 13 6  5  o 109.574 1.1895 94.122   2.0433  94.402   2.9123  93.850   2.8675  109.730 1.6930 109.409 1.6718 0.3210220      2.379357 
1 1 1 13 6  6  o 114.717 1.1935 103.165  2.1463  104.811  3.0638  101.579  3.0076  115.621 1.6903 113.825 1.6855 1.796211       2.387067 
1 1 1 13 6  7  o 176.225 1.3873 243.464  3.8325  246.327  5.2538  240.207  5.6031  177.246 1.8908 175.026 2.0421 2.220154       2.783024 
1 1 1 13 6  8  o 77.188  1.2992 46.708   1.5721  46.314   2.1176  47.192   2.3467  76.857  1.7575 77.580  1.9296 -0.7228317     2.609982 
1 1 1 13 6  9  o 310.121 1.9775 754.120  9.6141  760.337  13.183  747.056  14.052  311.349 2.7009 308.602 2.9045 2.747162       3.966240 
1 1 1 13 6  10 o 185.675 1.4798 270.284  4.3073  269.668  5.6304  271.153  6.6882  185.451 1.9367 185.947 2.2944 -0.4968567     3.002492 
1 1 1 13 6  11 o 173.834 1.3882 236.902  3.7832  234.330  5.1220  239.990  5.6119  172.874 1.8900 174.944 2.0462 -2.070511      2.785512 
1 1 1 13 6  12 o 62.266  1.5116 30.396   1.4755  29.515   2.1905  31.128   1.9965  61.348  2.2776 63.006  2.0213 -1.657845      3.045183 
1 1 1 13 6  13 o 283.549 1.9209 630.429  8.5385  617.888  11.826  644.087  12.341  280.667 2.6877 286.551 2.7473 -5.884064      3.843359 
1 1 1 13 6  14 o 240.567 1.7135 453.756  6.4621  454.822  9.1236  452.683  9.1540  240.816 2.4167 240.248 2.4305 0.5677795      3.427537 
1 1 1 13 6  15 o 279.088 1.9821 610.767  8.6721  609.803  11.693  611.946  12.929  278.823 2.6750 279.291 2.9529 -0.4677734     3.984385 
1 1 1 13 6  16 o 131.265 1.3835 135.084  2.8469  138.232  3.8679  131.362  4.2054  132.775 1.8582 129.428 2.0726 3.346542       2.783687 
1 1 1 13 6  17 o 238.785 1.7843 447.073  6.6791  448.459  8.9922  445.367  9.9755  239.123 2.3988 238.281 2.6705 0.8424835      3.589662 
1 1 1 13 6  18 o 108.420 1.4455 92.159   2.4569  90.602   3.1284  94.665   3.9689  107.493 1.8565 109.866 2.3044 -2.373123      2.959161 
1 1 1 13 6  19 o 78.698  1.4877 48.558   1.8354  49.893   2.3385  46.415   2.9618  79.768  1.8701 76.927  2.4559 2.841255       3.086884 
1 1 1 13 6  20 o 227.195 1.8166 404.738  6.4700  411.754  8.4307  394.685  10.092  229.128 2.3471 224.296 2.8700 4.831985       3.707522 
1 1 1 13 6  21 o 357.489 2.5246 1002.42  14.148  997.319  18.136  1010.36  22.614  356.497 3.2452 358.710 4.0214 -2.212555      5.167471 
1 1 1 13 6  22 o 124.167 1.4511 120.875  2.8246  128.086  4.0530  114.064  3.9388  127.802 2.0229 120.603 2.0833 7.199585       2.903843 
1 1 1 13 6  23 o 300.037 2.4635 706.112  11.587  705.715  18.797  706.355  14.715  299.782 3.9998 300.024 3.1286 -0.2424316     5.078084 
1 1 1 13 6  24 o 251.317 1.9474 495.290  7.6722  493.968  10.806  496.634  10.894  250.926 2.7471 251.601 2.7621 -0.6751251     3.895633 
1 1 1 13 6  25 o 151.343 1.5277 179.585  3.6247  179.841  5.1238  179.327  5.1283  151.429 2.1584 151.213 2.1634 0.2167511      3.055936 
1 1 1 13 6  26 o 103.959 1.4008 84.734   2.2830  83.607   3.0763  86.115   3.4060  103.255 1.9005 104.788 2.0734 -1.532593      2.812614 
1 1 1 13 6  27 o 130.973 1.3614 134.491  2.7952  136.698  3.9968  132.377  3.9108  132.027 1.9310 129.924 1.9201 2.103073       2.723158 
1 1 1 13 6  28 o 86.188  1.4104 58.241   1.9057  56.807   2.6746  59.720   2.7160  85.108  2.0046 87.263  1.9854 -2.154900      2.821352 
1 1 1 13 6  29 o 246.816 1.7621 477.706  6.8178  478.744  9.6405  476.668  9.6433  247.031 2.4894 246.494 2.4955 0.5368042      3.524890 
1 1 1 13 6  30 o 130.062 1.3583 132.630  2.7696  133.815  3.9176  131.445  3.9159  130.624 1.9131 129.462 1.9295 1.162750       2.717164 
1 1 1 13 6  31 o 49.179  1.7417 18.966   1.3428  18.349   1.8251  19.694   1.9826  48.362  2.4073 50.036  2.5358 -1.673592      3.496438 
1 1 1 13 6  32 o 303.852 1.9558 724.131  9.3164  736.701  12.846  710.185  13.531  306.395 2.6745 300.803 2.8694 5.591034       3.922589 
1 1 1 13 6  33 o 201.356 1.5039 317.925  4.7473  319.772  6.4772  315.781  6.9782  201.907 2.0464 200.630 2.2187 1.276688       3.018299 
1 1 1 13 6  34 o 180.073 1.4221 254.263  4.0145  251.718  5.4130  257.375  5.9847  179.141 1.9275 181.131 2.1076 -1.989517      2.856099 
1 1 1 13 6  35 o 188.818 1.4582 279.572  4.3163  281.138  5.8829  277.745  6.3523  189.312 1.9823 188.153 2.1536 1.158981       2.927025 
1 1 1 13 6  36 o 157.693 1.3518 194.994  3.3418  195.453  4.5248  194.443  4.9567  157.853 1.8285 157.433 2.0084 0.4202271      2.716061 
1 1 1 13 6  37 o 122.136 1.3243 116.975  2.5357  115.636  3.2904  118.933  3.9789  121.418 1.7287 123.118 2.0615 -1.700584      2.690380 
1 1 1 13 6  38 o 149.021 1.3742 174.152  3.2102  173.597  4.1876  174.945  4.9994  148.757 1.7957 149.308 2.1359 -0.5504913     2.790455 
1 1 1 13 6  39 o 152.982 1.3843 183.546  3.3199  182.832  4.3316  184.562  5.1686  152.654 1.8100 153.345 2.1500 -0.6909027     2.810503 
1 1 1 13 6  40 o 102.072 1.3119 81.710   2.0992  80.867   2.7481  82.892   3.2528  101.523 1.7267 102.769 2.0191 -1.245308      2.656708 
1 1 1 13 6  41 o 71.810  1.4691 40.451   1.6538  39.104   2.2111  42.162   2.4917  70.581  1.9984 73.279  2.1690 -2.697952      2.949248 
1 1 1 13 6  42 o 105.469 1.4426 87.264   2.3853  85.661   3.4025  88.812   3.3447  104.449 2.0780 106.359 2.0060 -1.910141      2.888262 
1 1 1 13 6  43 o 110.551 1.4407 95.884   2.4969  99.996   3.6617  92.311   3.4137  112.841 2.0699 108.424 2.0083 4.417007       2.884119 
1 1 1 13 6  44 o 174.322 1.5990 238.490  4.3697  239.224  6.2567  237.790  6.1055  174.477 2.2875 173.962 2.2388 0.5143738      3.200735 
1 1 1 13 6  45 o 37.038  2.2247 10.820   1.2858  11.638   1.9510  10.192   1.7095  38.284  3.2826 35.839  3.0724 2.445309       4.496111 
1 1 1 13 6  46 o 32.938  2.4482 8.5803   1.2551  8.9366   1.8729  8.2899   1.6910  33.445  3.6305 32.237  3.3972 1.207584       4.972071 
1 1 1 13 6  47 o 71.114  1.7790 39.719   1.9833  41.052   2.6470  38.013   2.9946  72.245  2.3372 69.474  2.7496 2.771194       3.608674 
1 1 1 13 6  48 o 111.870 1.6860 98.286   2.9568  97.455   4.6709  98.842   3.8194  111.233 2.6786 112.115 2.1731 -0.8822250     3.449267 
1 1 1 13 6  49 o 48.788  1.9651 18.710   1.5029  20.380   2.2351  17.331   2.0305  50.766  2.8196 46.810  2.7795 3.956829       3.959288 
1 1 1 13 6  50 o 49.605  1.9388 19.344   1.5077  19.567   2.0038  19.054   2.2890  49.769  2.5772 49.043  2.9915 0.7256165      3.948537 
1 1 1 13 6  51 o 62.554  1.8809 30.761   1.8445  30.546   2.2533  31.199   3.2114  62.288  2.3076 62.727  3.2771 -0.4382744     4.008051 
1 1 1 13 6  52 o 23.512  2.9183 4.4312   1.0525  4.4582   1.4376  4.3999   1.5452  23.354  4.0749 23.124  4.4238 0.2294216      6.014539 
1 1 1 13 6  53 o 47.631  1.7475 17.834   1.3049  15.384   1.8109  20.479   1.8818  44.083  2.6325 50.983  2.3545 -6.900360      3.531834 
1 1 1 13 6  54 o 61.142  1.5355 29.370   1.4718  28.795   2.1025  29.923   2.0610  60.465  2.2181 61.649  2.1326 -1.184429      3.077010 
1 1 1 13 6  55 o 35.489  2.0637 9.9488   1.1432  12.826   1.7244  7.6929   1.5269  40.203  2.7527 31.008  3.1865 9.194988       4.210855 
1 1 1 13 6  56 o 94.559  1.3426 70.224   1.9902  72.936   3.0248  68.153   2.6428  96.251  2.0046 93.079  1.8112 3.171333       2.701657 
1 1 1 13 6  57 o 26.654  2.8033 5.6798   1.1538  6.1610   1.5902  5.1449   1.6766  27.563  3.7796 24.984  4.4436 2.579578       5.833629 
1 1 1 13 6  58 o 60.169  1.6164 28.470   1.5246  28.480   2.1102  28.458   2.2052  60.089  2.2401 60.049  2.3426 0.4023743E-01  3.241258 
1 1 1 13 6  59 o 10.330  4.1056 0.4662   0.9944  1.1877   1.4708  -0.1413  1.3495  13.681  5.1064 10.368  4.4940 3.312403       6.802322 
1 1 1 13 6  60 o 34.888  1.9953 9.6268   1.0868  8.1191   1.6685  10.738   1.4323  31.744  3.4061 36.762  2.5001 -5.018105      4.225135 
1 1 1 13 6  61 f 46.229  1.7443 16.832   1.2641  16.434   2.1678  17.038   1.5561  45.352  3.0671 46.454  2.1367 -1.102329      3.737982 
1 1 1 13 6  62 o 48.714  1.5821 18.681   1.2082  19.593   1.8932  18.054   1.5693  49.743  2.4277 47.812  2.0937 1.931026       3.205802 
1 1 1 13 6  63 o 70.424  1.4501 39.029   1.6010  38.211   2.1280  40.096   2.4302  69.571  1.9512 71.204  2.1771 -1.632820      2.923506 
1 1 1 13 6  64 o 41.951  1.7712 13.884   1.1648  15.633   1.3714  9.3531   2.2071  44.481  1.9666 33.676  4.2770 10.80529       4.707519 
1 1 1 13 6  65 f 48.382  1.6079 18.455   1.2195  17.467   1.4257  21.149   2.3540  47.008  1.9347 51.366  2.9355 -4.358788      3.515685 
1 1 1 13 6  66 o 71.078  1.6553 39.869   1.8444  39.284   2.8342  40.300   2.4293  70.219  2.5746 71.287  2.1738 -1.067848      3.369580 
1 1 1 13 6  67 o 10.979  4.3375 0.6125   1.1037  2.1203   1.8100  -0.2800  1.3926  16.330  5.7230 10.141  4.4757 6.188671       7.265342 
1 1 1 13 6  68 o 33.954  2.4151 9.2362   1.2772  9.3692   2.1131  9.1596   1.6031  33.536  4.1051 33.588  3.0788 -0.5154800E-01 5.131357 
1 1 1 13 6  69 o 19.409  4.6313 3.2678   1.3895  4.5761   2.0760  2.2059   1.8703  22.561  5.8284 16.491  5.8145 6.069906       8.232822 
1 1 1 13 6  70 o 23.593  3.9880 4.7012   1.4224  8.4649   2.1548  1.7944   1.8937  31.565  4.4802 15.523  5.7942 16.04242       7.324294 
1 1 1 13 6  71 o 47.182  2.2764 17.769   1.6838  16.867   2.3700  18.689   2.3925  45.384  3.3550 47.870  3.2066 -2.486431      4.640945 
1 1 1 13 6  72 o 38.401  2.6804 11.917   1.6035  14.199   2.3239  9.8436   2.2153  41.443  3.6131 34.123  4.2322 7.320190       5.564712 
1 1 1 13 6  73 o 40.715  2.5771 13.373   1.6364  14.602   2.2948  12.102   2.3342  42.051  3.5133 37.988  3.9785 4.062977       5.307693 
1 1 1 13 6  74 o 43.832  2.5562 15.506   1.7489  14.614   2.3528  16.608   2.6143  41.952  3.6127 44.630  3.7719 -2.677986      5.222946 
1 1 1 13 6  75 o 15.482  5.2607 2.0502   1.5253  0.8486   1.9475  3.9563   2.4530  13.514  5.6045 20.392  6.6657 -6.877408      8.708726 
1 1 1 13 6  76 o 13.245  5.5943 0.6756   1.9949  3.2220   3.6232  -0.4320  2.3897  19.302  7.7802 12.639  5.6998 6.662833       9.644636 
1 1 1 13 6  77 o 21.378  5.6069 4.3110   1.9023  6.4707   3.5548  3.4443   2.2519  24.282  8.0285 18.937  6.3924 5.345541       10.26256 
1 1 1 13 7  0  o 71.834  1.8861 40.537   2.1207  40.537   2.1207  40.537   2.1207  71.834  1.8861 71.834  1.8861 -0.000000      0.000000 
1 1 1 13 7  1  o 325.817 1.9831 832.414  10.129  830.369  14.277  834.486  14.373  325.354 2.7991 326.158 2.8109 -0.8044434     3.966908 
1 1 1 13 7  2  o 142.957 1.2590 160.215  2.8216  158.190  3.9534  162.317  4.0283  142.040 1.7755 143.880 1.7859 -1.840744      2.518291 
1 1 1 13 7  3  o 26.872  2.4385 5.7098   1.0161  4.9467   1.4214  6.5072   1.4529  24.823  3.7714 28.608  3.3002 -3.784660      5.011461 
1 1 1 13 7  4  o 217.291 1.5016 370.172  5.1150  369.597  7.2224  370.750  7.2452  217.098 2.1221 217.436 2.1255 -0.3380432     3.003537 
1 1 1 13 7  5  o 213.997 1.4885 359.036  4.9935  353.932  6.9823  364.379  7.1441  212.448 2.0965 215.560 2.1141 -3.111847      2.977365 
1 1 1 13 7  6  o 197.788 1.4245 306.698  4.4169  299.078  6.1258  314.949  6.3743  195.296 2.0009 200.410 2.0289 -5.113693      2.849550 
1 1 1 13 7  7  o 201.714 1.4421 318.997  4.5602  320.453  6.4569  317.547  6.4414  202.153 2.0375 201.234 2.0418 0.9189758      2.884512 
1 1 1 13 7  8  o 294.218 1.8343 678.750  8.4603  658.548  11.631  701.452  12.330  289.759 2.5604 299.043 2.6300 -9.284363      3.670509 
1 1 1 13 7  9  o 204.318 1.5029 327.295  4.8139  322.940  6.4927  332.613  7.1741  202.934 2.0409 205.943 2.2221 -3.008804      3.017093 
1 1 1 13 7  10 o 56.249  1.5017 24.806   1.3242  24.143   1.9246  25.402   1.8248  55.485  2.2126 56.916  2.0452 -1.430851      3.013030 
1 1 1 13 7  11 o 64.673  1.4043 32.791   1.4237  32.123   1.9549  33.545   2.0776  64.005  1.9483 65.405  2.0263 -1.399765      2.811028 
1 1 1 13 7  12 o 156.109 1.3446 191.057  3.2906  187.767  4.4468  195.039  4.8921  154.747 1.8330 157.710 1.9787 -2.963379      2.697287 
1 1 1 13 7  13 o 117.906 1.2765 108.986  2.3595  110.595  3.2198  107.119  3.4675  118.765 1.7294 116.880 1.8924 1.884537       2.563598 
1 1 1 13 7  14 o 194.615 1.5228 296.950  4.6458  300.108  6.5989  293.846  6.5418  195.622 2.1518 193.571 2.1558 2.051605       3.045904 
1 1 1 13 7  15 o 51.026  1.6497 20.415   1.3196  20.514   1.8442  20.311   1.8891  51.143  2.3002 50.888  2.3680 0.2542343      3.301234 
1 1 1 13 7  16 o 270.290 1.8643 572.864  7.8995  581.998  11.294  564.114  11.053  272.384 2.6449 268.167 2.6293 4.216522       3.729397 
1 1 1 13 7  17 o 75.941  1.4956 45.216   1.7805  45.041   2.6004  45.370   2.4430  75.784  2.1888 76.062  2.0488 -0.2785492     2.998116 
1 1 1 13 7  18 o 187.102 1.4995 274.467  4.3981  264.287  6.0257  286.074  6.4342  183.577 2.0938 190.991 2.1490 -7.414139      3.000349 
1 1 1 13 7  19 o 30.489  2.4544 7.3385   1.1631  6.5393   1.5858  8.2692   1.7113  28.636  3.6128 32.276  3.4349 -3.640171      4.985041 
1 1 1 13 7  20 o 124.230 1.3425 120.995  2.6145  122.865  3.6979  119.126  3.6969  125.173 1.8845 123.253 1.9133 1.920273       2.685561 
1 1 1 13 7  21 o 168.018 1.4367 221.333  3.7841  225.503  5.3876  217.272  5.3163  169.573 2.0267 166.449 2.0374 3.124084       2.873738 
1 1 1 13 7  22 o 183.260 1.4970 263.318  4.3008  262.384  6.0184  264.292  6.1481  182.910 2.0989 183.572 2.1364 -0.6619568     2.994920 
1 1 1 13 7  23 o 346.687 2.2562 942.726  12.262  941.706  17.276  943.763  17.408  346.387 3.1814 346.762 3.2023 -0.3750916     4.513999 
1 1 1 13 7  24 o 42.864  2.0736 14.410   1.3934  15.135   1.8281  13.406   2.1525  43.839  2.6728 41.188  3.3630 2.651604       4.295805 
1 1 1 13 7  25 o 136.381 1.5140 145.837  3.2368  150.367  4.1957  139.179  5.0873  138.469 1.9328 133.198 2.4363 5.271133       3.109916 
1 1 1 13 7  26 o 128.682 1.4211 129.833  2.8667  132.426  3.8939  126.765  4.2359  129.945 1.9115 127.130 2.1254 2.815475       2.858521 
1 1 1 13 7  27 o 160.243 1.4987 201.339  3.7648  202.151  5.0622  200.335  5.6317  160.544 2.0113 159.809 2.2479 0.7348480      3.016410 
1 1 1 13 7  28 f 260.800 2.1095 533.507  8.6245  523.139  11.350  547.671  13.266  258.185 2.8043 264.120 3.2040 -5.934845      4.257911 
1 1 1 13 7  29 o 142.931 1.5089 160.191  3.3810  159.676  4.3370  160.990  5.3984  142.684 1.9389 143.246 2.4039 -0.5626068     3.088427 
1 1 1 13 7  30 o 91.267  1.4461 65.314   2.0690  63.079   2.7445  68.258   3.1491  89.678  1.9522 93.280  2.1535 -3.602043      2.906659 
1 1 1 13 7  31 o 98.206  1.5116 75.628   2.3272  77.082   3.0162  73.490   3.6582  99.132  1.9409 96.777  2.4113 2.355453       3.095346 
1 1 1 13 7  32 o 255.477 2.0776 512.029  8.3208  510.406  10.171  515.313  14.469  255.018 2.5441 256.079 3.6041 -1.060333      4.411611 
1 1 1 13 7  33 f 47.411  2.1336 17.636   1.5858  17.684   2.0820  17.569   2.4473  47.375  2.8161 47.172  3.3308 0.2034149      4.361734 
1 1 1 13 7  34 o 162.278 1.4968 206.520  3.8079  208.113  4.7802  203.752  6.2991  162.879 1.8721 161.114 2.4940 1.765396       3.118446 
1 1 1 13 7  35 o 134.375 1.4305 141.605  3.0134  142.208  3.7789  140.553  4.9940  134.641 1.7904 133.815 2.3806 0.8260193      2.978714 
1 1 1 13 7  36 o 20.522  4.1319 3.4346   1.2833  5.0833   1.6876  1.1742   1.9761  25.028  4.4650 15.159  5.8572 9.869102       7.365021 
1 1 1 13 7  37 o 86.644  1.5159 58.885   2.0591  57.983   2.6201  60.341   3.3299  85.960  1.9443 87.662  2.4231 -1.702751      3.106714 
1 1 1 13 7  38 o 42.621  1.9786 14.257   1.3220  13.499   1.7626  15.233   1.9988  41.358  2.7340 43.926  2.9193 -2.568195      3.999651 
1 1 1 13 7  39 o 94.395  1.4532 69.897   2.1504  68.220   2.9843  71.707   3.1013  93.221  2.0421 95.571  2.0700 -2.350471      2.907751 
1 1 1 13 7  40 o 103.692 1.5030 84.356   2.4432  84.103   3.2833  84.670   3.6573  103.498 2.0236 103.826 2.2470 -0.3282700     3.023910 
1 1 1 13 7  41 o 214.611 1.8568 361.578  6.2470  361.933  8.4052  361.138  9.3373  214.582 2.4986 214.275 2.7797 0.3070526      3.737627 
1 1 1 13 7  42 o 30.180  2.6867 7.2209   1.2579  5.5690   1.6681  9.3984   1.9151  26.222  4.1996 34.331  3.6127 -8.108547      5.539702 
1 1 1 13 7  43 o 103.647 1.5034 84.308   2.4428  84.024   3.0260  84.838   4.1392  103.438 1.8661 103.855 2.5424 -0.4164963     3.153690 
1 1 1 13 7  44 o 216.095 1.8731 366.782  6.3454  373.940  7.9467  354.188  10.541  218.072 2.3245 211.945 3.1724 6.127151       3.932889 
1 1 1 13 7  45 o 91.230  1.4468 65.325   2.0692  66.103   2.6986  64.214   3.2235  91.730  1.8766 90.363  2.2755 1.367233       2.949527 
1 1 1 13 7  46 o 101.857 1.5024 81.448   2.3991  85.308   3.2794  77.003   3.5188  104.180 2.0080 98.942  2.2686 5.238434       3.029630 
1 1 1 13 7  47 o 107.850 1.6078 91.344   2.7183  93.457   3.9120  89.371   3.7799  108.984 2.2897 106.580 2.2623 2.403938       3.218851 
1 1 1 13 7  48 o 51.896  1.7384 21.160   1.4143  22.551   1.9822  19.718   2.0185  53.521  2.3625 49.960  2.5861 3.561680       3.502743 
1 1 1 13 7  49 o 43.089  1.8431 14.594   1.2450  15.489   1.8521  13.856   1.6816  44.241  2.6832 41.852  2.5755 2.389027       3.719222 
1 1 1 13 7  50 o 36.859  2.0314 10.720   1.1692  11.698   1.7317  9.9003   1.5850  38.382  2.8995 35.295  2.8900 3.087635       4.093793 
1 1 1 13 7  51 o 69.335  1.5115 37.762   1.6429  35.714   2.2353  40.169   2.4230  67.360  2.1168 71.431  2.1638 -4.070938      3.026997 
1 1 1 13 7  52 o 6.5701  3.1963 -1.8461  1.0500  -3.3476  1.6957  -0.9121  1.3373  8.0341  3.9410 9.0822  4.1607 -1.048124      5.730885 
1 1 1 13 7  53 o 26.483  2.8178 5.6032   1.1519  7.0511   1.8618  4.7053   1.4661  29.460  4.1460 23.988  4.0425 5.472439       5.790611 
1 1 1 13 7  54 o 70.217  1.5270 38.744   1.6809  40.148   2.7606  37.917   2.1189  71.332  2.4686 69.408  1.9474 1.924286       3.144269 
1 1 1 13 7  55 o 25.997  2.8420 5.4085   1.1394  4.4037   1.8004  6.0797   1.4715  22.927  5.1366 27.445  3.4999 -4.518013      6.215607 
1 1 1 13 7  56 o 8.7380  3.8986 -0.4183  1.0857  0.5618   1.7323  -1.0524  1.3933  13.044  5.3344 9.1019  4.1980 3.942101       6.788162 
1 1 1 13 7  57 o 44.792  1.9353 15.804   1.3590  15.868   1.8418  15.727   2.0134  44.712  2.6393 44.455  2.9051 0.2572136      3.924956 
1 1 1 13 7  58 o 40.570  2.0699 13.013   1.3121  12.231   1.7728  13.960   1.9510  39.164  2.9083 41.833  2.9948 -2.668781      4.174596 
1 1 1 13 7  59 o 52.206  1.8866 21.480   1.5440  22.596   1.8785  19.155   2.7112  53.486  2.2403 48.836  3.5659 4.649773       4.211291 
1 1 1 13 7  60 o 69.515  1.6648 38.053   1.8142  38.486   2.2061  37.148   3.1885  69.835  2.0151 68.339  2.9762 1.496010       3.594283 
1 1 1 13 7  61 o 15.725  4.2996 2.0683   1.0904  3.1759   1.5248  0.9094   1.5597  19.336  4.9950 13.167  5.1707 6.169445       7.189314 
1 1 1 13 7  62 o 19.062  3.6629 3.0151   1.0548  6.1567   1.7164  1.1086   1.3371  27.289  4.1422 13.045  4.8689 14.24448       6.392522 
1 1 1 13 7  63 o 18.305  3.4746 2.7778   0.9606  3.1725   1.5005  2.5036   1.2504  19.256  4.9448 17.182  4.5648 2.073742       6.729666 
1 1 1 13 7  64 o 30.023  2.4596 7.2121   1.1475  7.2040   1.5605  7.2216   1.6931  29.732  3.4097 29.662  3.7233 0.7014847E-01  5.048615 
1 1 1 13 7  65 o 10.302  4.1810 0.4130   1.0541  1.3904   1.4470  -0.6921  1.5386  13.930  5.0886 10.058  4.5512 3.871738       6.826940 
1 1 1 13 7  66 o 47.933  1.4805 18.122   1.1125  18.225   1.3676  17.919   1.9130  47.995  1.8176 47.297  2.5899 0.6979904      3.164048 
1 1 1 13 7  67 f 18.251  4.6561 2.8865   1.3365  3.1733   1.8514  2.5745   1.9312  18.977  5.7367 17.472  5.9197 1.505268       8.243330 
1 1 1 13 7  68 o 19.634  4.0558 3.2867   1.2070  3.5625   1.8895  3.0966   1.5688  19.953  5.7355 18.748  5.1703 1.204447       7.721943 
1 1 1 13 7  69 f 11.572  4.5369 0.7611   1.1990  -1.3888  1.8964  2.1928   1.5476  10.331  4.8104 16.075  5.2964 -5.744094      7.154899 
1 1 1 13 7  70 o 32.988  2.5587 8.7814   1.3129  8.5733   2.0653  8.9225   1.7007  31.819  4.2463 32.927  3.3410 -1.107885      5.403083 
1 1 1 13 7  71 o 15.076  5.0556 1.9047   1.4084  3.0980   1.9349  0.5599   2.0541  18.572  5.9069 13.391  5.6674 5.180732       8.186066 
1 1 1 13 7  72 o 22.884  4.1157 4.4859   1.4222  3.9300   1.9182  5.1644   2.1194  20.719  5.7185 23.747  5.7536 -3.027596      8.112060 
1 1 1 13 7  73 o 14.579  5.0135 1.7637   1.3859  4.3096   1.9027  -1.1138  2.0228  21.689  5.5676 10.945  5.0514 10.74469       7.517656 
1 1 1 13 7  74 o 27.762  3.4210 6.4363   1.4574  6.3311   1.9333  6.5748   2.2180  26.794  4.7780 26.886  5.4490 -0.9261703E-01 7.247109 
1 1 1 13 7  75 o 35.489  3.5480 10.558   1.9475  10.658   2.5199  10.411   3.0688  34.810  4.7410 33.272  6.1086 1.538593       7.732513 
1 1 1 13 7  76 o 31.107  3.9935 8.3257   1.9025  9.7667   2.4873  6.2942   2.9533  32.974  4.9658 24.574  7.2016 8.400557       8.747673 
1 1 1 13 8  0  o 310.228 2.9203 754.891  14.199  754.891  14.199  754.891  14.199  310.228 2.9203 310.228 2.9203 0.000000       0.000000 
1 1 1 13 8  1  o 111.368 1.3279 97.237   2.3183  96.399   3.2833  98.070   3.2740  110.877 1.8889 111.834 1.8675 -0.9572449     2.656217 
1 1 1 13 8  2  o 284.910 2.0189 636.549  9.0171  631.434  13.251  640.960  12.306  283.688 2.9796 285.841 2.7462 -2.152893      4.052081 
1 1 1 13 8  3  o 260.319 1.8176 531.365  7.4173  535.317  10.560  527.515  10.421  261.238 2.5785 259.328 2.5633 1.909668       3.635829 
1 1 1 13 8  4  o 258.973 1.8121 525.884  7.3569  529.529  10.462  522.319  10.347  259.822 2.5686 258.048 2.5578 1.774017       3.624921 
1 1 1 13 8  5  o 172.297 1.5159 232.750  4.0945  236.691  6.1321  229.579  5.5002  173.723 2.2516 171.101 2.0506 2.621841       3.045451 
1 1 1 13 8  6  o 98.210  1.3430 75.617   2.0677  74.931   2.9039  76.322   2.9450  97.754  1.8950 98.657  1.9041 -0.9029999     2.686380 
1 1 1 13 8  7  o 261.746 1.8294 537.211  7.5067  520.567  10.321  555.904  10.938  257.613 2.5556 266.208 2.6210 -8.595032      3.660726 
1 1 1 13 8  8  o 162.941 1.4171 208.153  3.6198  212.623  5.1892  203.915  5.0519  164.663 2.0102 161.256 1.9984 3.406647       2.834567 
1 1 1 13 8  9  f 163.131 1.4811 208.642  3.7878  212.984  5.6694  205.142  5.0906  164.795 2.1945 161.740 2.0077 3.055405       2.974354 
1 1 1 13 8  10 o 52.681  1.6835 21.761   1.3904  21.981   1.9560  21.536   1.9767  52.939  2.3569 52.399  2.4063 0.5398560      3.368327 
1 1 1 13 8  11 o 126.898 1.4154 126.251  2.8157  122.848  4.1686  129.106  3.8184  125.158 2.1246 128.313 1.8983 -3.154861      2.849104 
1 1 1 13 8  12 o 103.101 1.3311 83.338   2.1514  82.799   3.0302  83.886   3.0551  102.757 1.8811 103.429 1.8842 -0.6722565     2.662455 
1 1 1 13 8  13 o 72.928  1.4617 41.698   1.6711  44.388   2.3903  39.126   2.3373  75.234  2.0267 70.633  2.1108 4.601036       2.926255 
1 1 1 13 8  14 o 242.261 1.8204 460.218  6.9135  461.610  9.3704  458.555  10.242  242.587 2.4640 241.765 2.7023 0.8220215      3.657005 
1 1 1 13 8  15 o 127.974 1.4036 128.403  2.8160  127.456  3.7876  129.573  4.2109  127.489 1.8951 128.537 2.0897 -1.047897      2.821058 
1 1 1 13 8  16 f 267.893 1.9432 562.795  8.1608  565.148  11.090  560.017  12.052  268.399 2.6358 267.156 2.8776 1.243408       3.902330 
1 1 1 13 8  17 o 321.623 2.2235 811.316  11.211  809.424  15.144  813.611  16.675  321.164 3.0080 321.955 3.3039 -0.7913513     4.468051 
1 1 1 13 8  18 o 132.446 1.4272 137.535  2.9633  138.541  4.0259  136.346  4.3777  132.914 1.9321 131.851 2.1179 1.063522       2.866829 
1 1 1 13 8  19 o 104.115 1.4203 84.989   2.3182  86.312   3.1679  83.465   3.4015  104.910 1.9262 103.160 2.1033 1.749443       2.852038 
1 1 1 13 8  20 f 88.231  1.4654 61.037   2.0269  61.463   2.7197  60.504   3.0399  88.528  1.9597 87.828  2.2078 0.7000809      2.952091 
1 1 1 13 8  21 o 14.705  4.6495 1.6713   1.2002  1.0973   1.6094  2.3905   1.8014  14.043  5.3204 17.690  5.7071 -3.646880      7.802416 
1 1 1 13 8  22 o 89.129  1.4528 62.287   2.0299  59.718   2.6920  65.673   3.0905  87.261  1.9679 91.503  2.1544 -4.242516      2.917930 
1 1 1 13 8  23 o 87.698  1.4502 60.303   1.9938  60.632   2.6954  59.906   2.9627  87.925  1.9555 87.392  2.1626 0.5335007      2.915603 
1 1 1 13 8  24 o 91.818  1.4519 66.103   2.0898  67.382   2.8276  64.564   3.1025  92.690  1.9460 90.724  2.1814 1.965347       2.923207 
1 1 1 13 8  25 o 173.323 1.5406 235.562  4.1860  232.155  5.5901  239.911  6.3160  172.039 2.0727 174.875 2.3039 -2.835953      3.099046 
1 1 1 13 8  26 o 185.765 1.5877 270.605  4.6237  271.128  6.2650  269.980  6.8522  185.911 2.1496 185.503 2.3563 0.4084778      3.189485 
1 1 1 13 8  27 o 121.999 1.4265 116.706  2.7283  115.690  3.6509  117.992  4.1058  121.449 1.9176 122.642 2.1355 -1.192215      2.870120 
1 1 1 13 8  28 o 138.007 1.4528 149.348  3.1431  149.525  4.2477  149.133  4.6726  138.066 1.9625 137.875 2.1618 0.1916351      2.919732 
1 1 1 13 8  29 o 215.997 1.7121 365.907  5.7975  371.131  7.9381  359.935  8.4872  217.479 2.3283 214.154 2.5281 3.325958       3.436885 
1 1 1 13 8  30 o 95.676  1.3864 71.781   2.0795  73.516   2.7348  69.402   3.2017  96.812  1.8019 94.050  2.1715 2.762543       2.821813 
1 1 1 13 8  31 o 148.045 1.4055 171.873  3.2619  168.955  4.2174  176.217  5.1461  146.760 1.8331 149.857 2.1905 -3.096527      2.856344 
1 1 1 13 8  32 o 103.774 1.4877 84.457   2.4202  84.367   3.0599  84.608   3.9554  103.702 1.8822 103.820 2.4303 -0.1183929     3.073939 
1 1 1 13 8  33 o 174.790 1.7006 239.657  4.6599  240.762  5.7120  237.457  8.0577  175.159 2.0802 173.852 2.9565 1.307724       3.614981 
1 1 1 13 8  34 o 210.614 1.8523 348.042  6.1158  348.884  7.5020  346.374  10.560  210.816 2.2700 209.900 3.2092 0.9165192      3.930877 
1 1 1 13 8  35 o 94.367  1.6534 69.863   2.4460  66.615   3.0007  76.294   4.2225  92.125  2.0777 98.540  2.7334 -6.415779      3.433418 
1 1 1 13 8  36 o 40.029  2.4623 12.634   1.5377  12.166   1.7929  13.936   2.9901  39.228  2.9368 41.754  4.6469 -2.526207      5.497125 
1 1 1 13 8  37 o 126.418 1.5913 125.392  3.1536  126.502  4.2443  124.023  4.7121  126.927 2.1330 125.649 2.3922 1.278358       3.205086 
1 1 1 13 8  38 o 102.510 1.4784 82.445   2.3759  84.900   3.1177  79.045   3.6693  103.993 1.9124 100.304 2.3335 3.688187       3.017029 
1 1 1 13 8  39 o 83.309  1.6897 54.474   2.2068  51.430   3.0565  57.788   3.1894  80.892  2.4103 85.750  2.3726 -4.857704      3.382124 
1 1 1 13 8  40 o 58.377  1.7862 26.756   1.6346  27.210   2.1865  26.181   2.4613  58.833  2.3707 57.684  2.7218 1.149200       3.609451 
1 1 1 13 8  41 o 116.490 1.5417 106.507  2.8153  104.082  4.1384  108.595  3.8412  115.064 2.2942 117.562 2.0842 -2.498184      3.099592 
1 1 1 13 8  42 o 112.169 1.6337 98.780   2.8728  97.637   3.9818  100.021  4.1489  111.433 2.2794 112.774 2.3468 -1.341408      3.271519 
1 1 1 13 8  43 o 131.258 1.6693 135.288  3.4348  141.396  4.9230  129.496  4.7946  134.070 2.3423 128.296 2.3839 5.773727       3.342061 
1 1 1 13 8  44 o 117.818 1.5666 108.991  2.8934  107.827  3.8365  110.526  4.4063  117.109 2.0897 118.514 2.3716 -1.404747      3.160954 
1 1 1 13 8  45 o 80.528  1.7179 50.942   2.1687  52.919   2.7553  47.723   3.5159  82.026  2.1427 77.787  2.8832 4.238914       3.592215 
1 1 1 13 8  46 o 39.377  2.5810 12.270   1.5845  10.134   2.0316  15.586   2.5316  35.580  3.6963 44.205  3.6868 -8.625320      5.220665 
1 1 1 13 8  47 f 70.531  1.6584 39.084   1.8336  42.221   2.2895  33.472   3.0620  73.270  1.9933 65.100  3.0004 8.169846       3.602127 
1 1 1 13 8  48 o 144.128 1.4575 163.134  3.2931  161.568  4.4554  165.020  4.8891  143.319 1.9830 144.797 2.1539 -1.477646      2.927734 
1 1 1 13 8  49 o 47.933  1.7794 18.063   1.3371  20.472   1.8571  15.470   1.9268  50.976  2.3239 44.177  2.7967 6.799053       3.636155 
1 1 1 13 8  50 o 43.866  1.9618 15.140   1.3490  14.857   1.7016  15.620   2.2135  43.329  2.5159 44.302  3.2089 -0.9731178     4.077597 
1 1 1 13 8  51 o 16.710  4.0800 2.3136   1.0595  2.0215   1.4539  2.6445   1.5472  15.992  5.1239 17.921  5.2012 -1.928633      7.301099 
1 1 1 13 8  52 o 37.499  2.1444 11.113   1.2554  12.171   1.9125  10.312   1.6641  39.072  3.1491 35.978  2.9772 3.094109       4.333629 
1 1 1 13 8  53 o 60.616  1.5803 28.884   1.5017  30.727   2.2756  27.462   1.9988  62.416  2.3256 59.031  2.1599 3.384949       3.173894 
1 1 1 13 8  54 o 34.870  2.1231 9.6184   1.1551  8.8380   1.6159  10.434   1.6517  33.236  3.1386 36.177  2.9376 -2.941551      4.298898 
1 1 1 13 8  55 o 49.290  1.6710 19.113   1.2912  19.221   1.8552  19.012   1.7982  49.333  2.3989 49.074  2.3374 0.2594719      3.349349 
1 1 1 13 8  56 o 39.020  1.8838 11.994   1.1523  13.066   1.6624  11.002   1.5987  40.549  2.6293 37.166  2.7636 3.383541       3.814588 
1 1 1 13 8  57 o 22.909  3.0021 4.2380   1.0522  4.3670   1.5039  4.1143   1.4727  22.928  4.3433 22.229  4.3820 0.6986485      6.169725 
1 1 1 13 8  58 o 56.874  1.6305 25.465   1.4537  28.755   2.2670  23.167   1.8945  60.284  2.3988 54.144  2.2319 6.139595       3.276547 
1 1 1 13 8  59 o 40.034  2.0579 12.690   1.2872  9.2117   1.8057  16.284   1.8354  33.758  3.4610 45.236  2.5991 -11.47802      4.328248 
1 1 1 13 8  60 o 91.473  1.4177 65.841   2.0330  65.226   3.1115  66.299   2.6855  90.803  2.1858 91.659  1.8690 -0.8566055     2.875913 
1 1 1 13 8  61 o 29.573  2.5407 6.9972   1.1665  7.1375   1.9127  6.9142   1.4719  29.343  4.2844 29.203  3.2712 0.1395493      5.390417 
1 1 1 13 8  62 o 33.960  2.3171 9.1923   1.2262  9.9118   1.6471  8.2978   1.8365  35.071  3.0255 31.827  3.7529 3.243969       4.820540 
1 1 1 13 8  63 o 54.392  1.6078 23.340   1.3710  21.940   1.8878  24.903   1.9942  52.561  2.2911 56.004  2.2714 -3.443054      3.226210 
1 1 1 13 8  64 o 7.6561  3.5554 -0.8340  1.0250  -1.3887  1.7383  -0.5384  1.2692  9.8739  4.6001 9.2206  4.1564 0.6532660      6.199717 
1 1 1 13 8  65 o 41.763  1.7341 13.794   1.1353  13.829   1.7768  13.771   1.4759  41.452  2.7499 41.534  2.2754 -0.8268738E-01 3.569209 
1 1 1 13 8  66 o 25.696  3.0290 5.3947   1.1967  6.4594   1.5096  3.5938   1.9632  27.960  3.5221 20.036  5.8715 7.924196       6.846933 
1 1 1 13 8  67 f 24.057  2.6276 4.6946   0.9749  4.7557   1.1211  4.5048   1.9741  24.083  3.0371 22.377  5.6317 1.705196       6.398419 
1 1 1 13 8  68 o 41.323  2.4349 13.716   1.5704  15.658   2.1932  11.673   2.2496  43.777  3.2184 37.411  3.8928 6.365936       5.050947 
1 1 1 13 8  69 o 12.472  4.6898 1.0714   1.2451  1.4667   1.8740  0.7591   1.6659  14.683  5.6953 12.787  5.2305 1.895856       7.732687 
1 1 1 13 8  70 o 14.816  5.0098 1.8312   1.3831  2.1588   1.9295  1.4850   1.9837  16.246  5.8850 14.880  5.8351 1.365757       8.287467 
1 1 1 13 8  71 o 19.988  4.2080 3.4636   1.2769  5.5776   1.9967  2.0009   1.6609  24.928  5.2740 15.530  5.4790 9.397729       7.604908 
1 1 1 13 8  72 o 20.650  4.1295 3.6924   1.2901  4.1019   2.0344  3.4168   1.6685  20.955  5.9275 19.372  5.3279 1.583286       7.970005 
1 1 1 13 8  73 o 11.731  4.8194 0.6241   1.4219  2.8286   1.9421  -1.9233  2.0877  17.637  5.9364 10.240  4.8540 7.397435       7.668272 
1 1 1 13 8  74 o 27.872  3.9963 6.6778   1.6962  7.4302   2.0611  5.0992   2.9855  28.963  4.7005 22.215  7.3582 6.748590       8.731479 
1 1 1 13 8  75 o 29.451  4.2189 7.5722   1.8921  8.0073   2.4937  6.9817   2.9049  29.182  5.6552 26.014  6.9785 3.167992       8.982256 
1 1 1 13 9  0  o 146.619 1.9876 168.632  4.5665  168.632  4.5665  168.632  4.5665  146.619 1.9876 146.619 1.9876 0.000000       0.000000 
1 1 1 13 9  1  o 84.558  1.4152 56.058   1.8759  54.517   2.6337  57.646   2.6726  83.377  2.0149 85.737  1.9885 -2.360191      2.830896 
1 1 1 13 9  2  f 139.387 1.3871 152.326  3.0310  152.768  4.2852  151.883  4.2879  139.573 1.9585 139.168 1.9654 0.4049530      2.774581 
1 1 1 13 9  3  o 174.540 1.4820 238.855  4.0551  235.230  5.6845  242.611  5.7865  173.188 2.0937 175.884 2.0986 -2.696060      2.964456 
1 1 1 13 9  4  o 190.960 1.5361 285.916  4.5985  282.963  6.4658  288.938  6.5414  189.944 2.1714 191.939 2.1740 -1.995056      3.072644 
1 1 1 13 9  5  o 135.706 1.3830 144.387  2.9422  146.284  4.1742  142.513  4.1476  136.579 1.9496 134.807 1.9626 1.772232       2.766341 
1 1 1 13 9  6  o 36.632  2.2236 10.563   1.2709  9.0334   1.7530  12.259   1.8452  33.758  3.3571 39.410  3.0094 -5.651543      4.508491 
1 1 1 13 9  7  o 86.028  1.4106 58.025   1.9024  59.530   2.7054  56.552   2.6756  87.126  1.9807 84.918  2.0099 2.207787       2.821852 
1 1 1 13 9  8  o 156.353 1.4938 191.672  3.6614  191.852  4.9781  191.460  5.4041  156.408 2.0303 156.240 2.2064 0.1674652      2.998357 
1 1 1 13 9  9  o 190.672 1.5378 285.056  4.5965  281.286  6.4415  288.966  6.5610  189.378 2.1697 191.946 2.1804 -2.567108      3.076015 
1 1 1 13 9  10 o 150.310 1.4155 177.138  3.3353  175.949  4.7090  178.335  4.7248  149.785 2.0054 150.797 1.9986 -1.012375      2.831309 
1 1 1 13 9  11 o 100.759 1.4414 79.599   2.2768  84.912   3.5260  75.800   2.9817  104.049 2.1617 98.314  1.9346 5.735443       2.900956 
1 1 1 13 9  12 o 114.063 1.3685 102.006  2.4470  105.587  3.5196  98.655   3.4045  116.034 1.9349 112.160 1.9362 3.873352       2.737283 
1 1 1 13 9  13 o 273.753 1.9844 587.727  8.5162  586.817  11.496  588.834  12.678  273.481 2.6815 273.922 2.9523 -0.4411926     3.988298 
1 1 1 13 9  14 o 196.954 1.6334 304.169  5.0433  307.686  6.8765  300.075  7.4191  198.059 2.2147 195.581 2.4198 2.477936       3.280274 
1 1 1 13 9  15 o 141.937 1.3989 157.956  3.1127  163.168  4.4832  153.105  4.3252  144.240 1.9827 139.721 1.9747 4.518326       2.798244 
1 1 1 13 9  16 o 225.292 1.7582 398.024  6.2095  395.064  9.1829  400.518  8.4287  224.392 2.6105 225.955 2.3795 -1.562363      3.532207 
1 1 1 13 9  17 o 80.403  1.4500 50.688   1.8277  50.380   2.5773  50.998   2.5923  80.146  2.0513 80.636  2.0507 -0.4899216     2.900538 
1 1 1 13 9  18 o 139.375 1.4542 152.312  3.1774  151.482  4.2677  153.344  4.7593  138.977 1.9588 139.819 2.1713 -0.8419189     2.924326 
1 1 1 13 9  19 o 37.328  2.3642 10.975   1.3763  11.014   1.8151  10.923   2.1111  37.326  3.1308 37.109  3.6773 0.2170258      4.829568 
1 1 1 13 9  20 o 209.177 1.6852 343.123  5.5262  340.069  7.4088  346.954  8.2967  208.205 2.2699 210.282 2.5168 -2.077026      3.389190 
1 1 1 13 9  21 f 228.354 1.7720 408.948  6.3434  401.467  8.4470  418.625  9.6064  226.208 2.3820 230.965 2.6531 -4.757019      3.565538 
1 1 1 13 9  22 o 187.435 1.5988 275.497  4.6978  272.687  6.3001  279.017  7.0505  186.443 2.1555 188.577 2.3849 -2.134842      3.214683 
1 1 1 13 9  23 o 101.808 1.4403 81.274   2.2987  78.928   3.0715  84.262   3.4658  100.312 1.9532 103.640 2.1332 -3.327660      2.892303 
1 1 1 13 9  24 o 93.282  1.5057 68.235   2.2019  69.043   3.0743  67.383   3.1551  93.815  2.0904 92.677  2.1716 1.138054       3.014240 
1 1 1 13 9  25 o 100.323 1.5807 78.930   2.4861  82.621   3.3712  74.529   3.6807  102.623 2.0955 97.455  2.4092 5.168396       3.193046 
1 1 1 13 9  26 o 122.713 1.6513 118.100  3.1767  120.201  4.0436  114.714  5.1343  123.779 2.0838 120.882 2.7093 2.896057       3.418029 
1 1 1 13 9  27 o 165.045 1.6811 213.648  4.3496  207.500  5.7074  222.166  6.7178  162.613 2.2389 168.235 2.5472 -5.621277      3.391249 
1 1 1 13 9  28 o 71.504  1.8116 40.107   2.0307  39.426   2.5430  41.304   3.3736  70.878  2.2887 72.516  2.9676 -1.637772      3.747612 
1 1 1 13 9  29 o 139.951 1.7143 153.637  3.7611  155.664  4.8335  150.524  5.9880  140.838 2.1892 138.444 2.7590 2.393845       3.522028 
1 1 1 13 9  30 o 68.623  1.6938 36.940   1.8222  35.159   2.3180  39.822   2.9481  66.929  2.2092 71.209  2.6409 -4.280014      3.443109 
1 1 1 13 9  31 o 64.517  1.8776 32.661   1.8990  31.621   2.6317  33.791   2.7430  63.449  2.6458 65.589  2.6677 -2.140099      3.757225 
1 1 1 13 9  32 o 142.988 1.7098 160.411  3.8327  156.460  5.2725  164.837  5.5811  141.154 2.3827 144.875 2.4574 -3.721039      3.422864 
1 1 1 13 9  33 o 18.314  4.5978 2.7518   1.3181  4.7744   1.8055  0.4434   1.9288  24.145  4.9365 13.594  5.6021 10.55148       7.466751 
1 1 1 13 9  34 f 121.984 1.5044 116.737  2.8770  115.749  3.9683  117.832  4.1770  121.418 2.0848 122.497 2.1751 -1.078827      3.012904 
1 1 1 13 9  35 o 93.072  1.5697 67.970   2.2902  68.606   3.0682  67.171   3.4416  93.469  2.0940 92.462  2.3744 1.007179       3.165799 
1 1 1 13 9  36 o 138.473 1.5876 150.473  3.4463  145.915  4.5074  156.889  5.3472  136.299 2.1095 141.287 2.4142 -4.987564      3.205983 
1 1 1 13 9  37 o 126.124 1.5097 124.829  2.9850  124.433  3.8696  125.410  4.6907  125.874 1.9610 126.312 2.3689 -0.4375381     3.075227 
1 1 1 13 9  38 o 70.099  1.6385 38.572   1.8005  37.639   2.3497  39.900   2.8024  69.207  2.1657 71.225  2.5098 -2.017883      3.315034 
1 1 1 13 9  39 o 110.962 1.5998 96.655   2.7828  95.855   3.3843  98.325   4.8901  110.460 1.9544 111.744 2.7915 -1.283989      3.407633 
1 1 1 13 9  40 o 39.017  2.3704 12.019   1.4430  11.676   1.7338  12.791   2.6033  38.386  2.9026 39.957  4.2198 -1.571087      5.121709 
1 1 1 13 9  41 o 76.893  1.5871 46.424   1.9131  48.151   2.4659  43.813   3.0323  78.270  2.0097 74.593  2.5931 3.676506       3.280663 
1 1 1 13 9  42 o 152.436 1.6746 182.508  4.0018  177.399  5.2521  189.578  6.1790  150.170 2.2310 155.156 2.5404 -4.986496      3.380952 
1 1 1 13 9  43 o 43.801  2.0880 15.089   1.4337  15.156   2.0312  15.022   2.0240  43.724  2.9811 43.528  2.9841 0.1959801      4.218055 
1 1 1 13 9  44 o 67.790  1.6467 36.101   1.7500  36.435   2.4729  35.765   2.4769  68.029  2.3188 67.397  2.3443 0.6319580      3.297354 
1 1 1 13 9  45 o 111.767 1.6157 98.137   2.8310  94.335   3.7048  103.471  4.3888  109.484 2.1586 114.598 2.4430 -5.113976      3.259966 
1 1 1 13 9  46 o 90.450  1.4345 64.248   2.0341  64.422   2.7498  64.037   3.0228  90.502  1.9382 90.198  2.1378 0.3049164      2.885584 
1 1 1 13 9  47 o 56.595  1.5955 25.168   1.4155  25.052   1.9902  25.287   2.0138  56.396  2.2511 56.659  2.2673 -0.2625961     3.194956 
1 1 1 13 9  48 o 56.568  1.5925 25.146   1.4122  25.263   2.0006  25.030   1.9937  56.626  2.2537 56.364  2.2564 0.2616615      3.189100 
1 1 1 13 9  49 o 80.380  1.4145 50.750   1.7824  48.145   2.4855  53.508   2.5575  78.202  2.0274 82.451  1.9786 -4.248802      2.832912 
1 1 1 13 9  50 o 58.393  1.5877 26.802   1.4534  26.758   2.0401  26.847   2.0711  58.266  2.2334 58.358  2.2639 -0.9173203E-01 3.180150 
1 1 1 13 9  51 o 96.271  1.4465 72.825   2.1830  73.274   3.2866  72.470   2.9203  96.419  2.1744 95.941  1.9416 0.4771652      2.915085 
1 1 1 13 9  52 o 27.756  2.9279 6.1684   1.2548  6.4871   1.7369  5.8205   1.8147  28.215  4.0424 26.573  4.5179 1.641680       6.062344 
1 1 1 13 9  53 o 36.520  2.2061 10.559   1.2571  11.303   1.7141  9.6926   1.8492  37.651  2.9270 34.731  3.4417 2.920155       4.518043 
1 1 1 13 9  54 o 35.055  2.2665 9.7416   1.2389  9.1050   1.6583  10.546   1.8637  33.700  3.1765 36.254  3.3159 -2.554733      4.591827 
1 1 1 13 9  55 o 45.507  1.8703 16.319   1.3343  13.991   1.7606  19.460   2.0452  41.934  2.6924 49.496  2.6454 -7.561634      3.774520 
1 1 1 13 9  56 o 24.394  2.9456 4.7959   1.1036  4.3682   1.6101  5.1750   1.5157  22.822  4.6580 25.085  3.9878 -2.262545      6.131870 
1 1 1 13 9  57 o 15.747  4.2292 2.0739   1.0661  3.1823   1.5186  0.9968   1.4971  19.367  4.9755 13.209  5.0997 6.158570       7.124729 
1 1 1 13 9  58 o 40.122  1.9544 12.711   1.2293  14.160   1.7806  11.391   1.6992  42.122  2.7109 37.713  2.8962 4.409058       3.966967 
1 1 1 13 9  59 o 81.397  1.4013 52.145   1.7880  50.377   2.5299  53.910   2.5275  79.829  2.0216 82.605  1.9518 -2.775391      2.809996 
1 1 1 13 9  60 o 20.442  3.4006 3.4435   1.0515  3.7873   1.4887  3.1013   1.4853  21.100  4.6279 19.021  4.9378 2.078762       6.767557 
1 1 1 13 9  61 o 24.633  2.8830 4.9153   1.0922  4.5670   1.5439  5.2642   1.5454  23.253  4.3964 25.128  4.0617 -1.874590      5.985425 
1 1 1 13 9  62 o 25.723  2.8163 5.3562   1.1171  3.6670   1.6920  6.6616   1.4874  20.501  5.2436 28.532  3.3920 -8.030436      6.245073 
1 1 1 13 9  63 o 45.893  1.8345 16.673   1.3198  16.510   2.0289  16.792   1.7377  45.263  2.8743 45.828  2.4274 -0.5653648     3.762188 
1 1 1 13 9  64 o 32.259  2.3748 8.3457   1.1925  8.6345   1.8404  8.1367   1.5657  32.311  3.7001 31.559  3.2093 0.7517567      4.897999 
1 1 1 13 9  65 o 12.030  4.4503 1.0083   1.1122  -1.6401  1.9207  2.3442   1.3641  10.150  4.7633 16.451  4.9133 -6.301440      6.843179 
1 1 1 13 9  66 o 15.297  4.0676 2.0116   0.9923  3.6445   1.4753  0.6627   1.3409  20.402  4.7084 11.729  4.7312 8.673333       6.674801 
1 1 1 13 9  67 o 26.396  2.3527 5.6170   0.9634  6.5191   1.5356  5.0316   1.2370  27.974  3.5842 24.649  3.2830 3.324463       4.860469 
1 1 1 13 9  68 o 14.373  4.4265 1.7645   1.0956  1.0279   1.3355  3.2799   1.9156  12.545  4.8241 18.999  5.8537 -6.454214      7.585305 
1 1 1 13 9  69 o 46.887  2.2756 17.596   1.6726  18.708   2.5889  16.798   2.1914  47.574  3.4959 45.318  3.1032 2.255535       4.674486 
1 1 1 13 9  70 o 19.859  4.6282 3.4893   1.4142  0.7978   2.1818  5.4394   1.8571  13.953  5.8694 24.736  4.9618 -10.78367      7.685654 
1 1 1 13 9  71 o 12.623  4.8152 1.1026   1.3240  -0.3689  1.9107  2.4621   1.8365  11.481  5.1436 16.721  5.7700 -5.239599      7.729789 
1 1 1 13 9  72 o 31.852  3.2519 8.4357   1.6010  9.5235   2.3230  7.4514   2.2096  32.958  4.6233 28.787  5.0822 4.170725       6.870445 
1 1 1 13 9  73 o 18.854  5.5879 3.3533   1.7695  3.1394   2.2116  3.7338   2.9498  18.198  6.3290 19.482  7.2396 -1.283815      9.616023 
1 1 1 13 9  74 o 10.471  4.6866 -0.2611  1.5824  2.6917   2.1657  -3.6425  2.3176  17.028  6.2247 9.4256  4.6203 7.602585       7.752021 
1 1 1 13 10 0  o 127.165 1.9577 126.875  3.9007  126.875  3.9007  126.875  3.9007  127.165 1.9577 127.165 1.9577 -0.000000      0.000000 
1 1 1 13 10 1  o 166.585 1.4712 217.584  3.8421  213.467  5.3723  221.895  5.4970  164.975 2.0772 168.200 2.0847 -3.224838      2.942949 
1 1 1 13 10 2  o 264.159 1.8617 547.230  7.7095  557.131  11.061  537.875  10.751  266.470 2.6478 261.827 2.6194 4.642761       3.724523 
1 1 1 13 10 3  o 88.398  1.4431 61.268   1.9998  58.931   2.7819  63.767   2.8767  86.682  2.0472 90.169  2.0351 -3.487221      2.886634 
1 1 1 13 10 4  o 94.641  1.4187 70.228   2.1048  68.954   2.9581  71.535   2.9956  93.765  2.0125 95.504  2.0008 -1.739197      2.837807 
1 1 1 13 10 5  o 53.219  1.8357 22.211   1.5315  23.131   2.1870  21.326   2.1455  54.297  2.5693 52.067  2.6371 2.229256       3.681798 
1 1 1 13 10 6  o 248.497 1.7906 484.250  6.9755  481.558  9.8186  486.992  9.9118  247.747 2.5281 249.140 2.5378 -1.392990      3.582097 
1 1 1 13 10 7  o 116.707 1.3964 106.793  2.5548  107.975  3.6400  105.646  3.5866  117.334 1.9789 116.062 1.9712 1.272423       2.793180 
1 1 1 13 10 8  o 274.594 1.9928 591.378  8.5786  596.038  12.792  587.569  11.564  275.575 2.9611 273.641 2.6958 1.934052       4.004420 
1 1 1 13 10 9  o 102.039 1.4671 81.640   2.3469  82.493   3.2046  80.653   3.4466  102.557 1.9932 101.401 2.1682 1.156288       2.945156 
1 1 1 13 10 10 o 143.445 1.4244 161.336  3.2032  160.201  4.5171  162.483  4.5429  142.917 2.0162 143.932 2.0134 -1.014633      2.849299 
1 1 1 13 10 11 f 132.512 1.4077 137.680  2.9243  140.054  4.1804  135.404  4.0921  133.629 1.9956 131.393 1.9867 2.236649       2.815863 
1 1 1 13 10 12 o 107.102 1.4578 89.942   2.4476  88.920   3.2983  91.194   3.6514  106.477 1.9760 107.823 2.1602 -1.345863      2.927624 
1 1 1 13 10 13 o 107.756 1.3995 91.043   2.3642  91.856   3.3620  90.247   3.3252  108.219 1.9817 107.267 1.9774 0.9518280      2.799520 
1 1 1 13 10 14 o 304.518 2.1511 727.413  10.269  728.948  13.910  725.573  15.224  304.742 2.9117 303.992 3.1946 0.7496948      4.322439 
1 1 1 13 10 15 o 218.875 1.7417 375.697  5.9761  371.351  8.7745  379.458  8.1616  217.539 2.5730 219.920 2.3673 -2.380692      3.496332 
1 1 1 13 10 16 o 85.989  1.4455 57.979   1.9486  57.898   2.7606  58.058   2.7508  85.914  2.0497 86.033  2.0396 -0.1190109     2.891575 
1 1 1 13 10 17 o 84.851  1.5607 56.459   2.0760  58.381   2.9566  54.589   2.9156  86.266  2.1862 83.416  2.2296 2.850029       3.122638 
1 1 1 13 10 18 o 185.006 1.7588 268.439  5.1010  269.093  6.8646  267.632  7.6225  185.189 2.3645 184.663 2.6331 0.5264130      3.538943 
1 1 1 13 10 19 o 81.917  1.7635 52.630   2.2647  53.462   3.1962  51.791   3.2094  82.539  2.4701 81.237  2.5201 1.302429       3.528782 
1 1 1 13 10 20 o 125.470 1.6799 123.466  3.3042  117.285  4.5323  130.478  4.8275  122.256 2.3648 128.947 2.3881 -6.691422      3.360859 
1 1 1 13 10 21 o 29.147  3.6063 6.7780   1.6126  6.2835   2.1329  7.4378   2.4639  27.811  5.0794 30.267  5.3903 -2.456511      7.406496 
1 1 1 13 10 22 o 25.885  3.8072 5.3803   1.4988  2.1195   2.0149  9.4190   2.2424  17.342  6.0405 34.338  4.2570 -16.99617      7.389821 
1 1 1 13 10 23 o 50.546  2.2722 20.050   1.8005  23.532   2.5369  16.515   2.5558  54.657  2.9719 45.694  3.5970 8.962814       4.665903 
1 1 1 13 10 24 o 179.982 1.9824 254.152  5.5935  253.157  7.3569  255.514  8.6110  179.568 2.6134 180.349 3.0457 -0.7810974     4.013273 
1 1 1 13 10 25 o 57.264  2.0065 25.730   1.8013  25.585   2.5143  25.882   2.5818  57.075  2.8100 57.403  2.8691 -0.3280449     4.015941 
1 1 1 13 10 26 f 80.946  1.6593 51.397   2.1056  49.076   2.7726  54.559   3.2366  79.073  2.2367 83.361  2.4767 -4.287270      3.337192 
1 1 1 13 10 27 o 75.675  1.6912 44.926   2.0064  45.881   2.6997  43.747   2.9987  76.451  2.2525 74.636  2.5629 1.815804       3.412126 
1 1 1 13 10 28 o 68.551  1.6675 36.866   1.7920  36.506   2.3298  37.387   2.8041  68.194  2.1793 68.991  2.5927 -0.7964401     3.386921 
1 1 1 13 10 29 o 176.590 1.7350 244.681  4.8030  253.312  6.6049  234.995  6.9969  179.602 2.3459 172.952 2.5806 6.649002       3.487516 
1 1 1 13 10 30 o 24.912  3.1998 4.9624   1.2208  6.0072   1.6457  3.6843   1.8203  27.327  3.9568 21.169  5.4520 6.158144       6.736514 
1 1 1 13 10 31 o 118.689 1.4366 110.511  2.6731  112.595  3.6457  108.087  3.9309  119.762 1.9418 117.322 2.1373 2.440422       2.887666 
1 1 1 13 10 32 o 55.387  1.7473 24.078   1.5171  22.819   2.0385  25.640   2.2714  53.887  2.4131 57.114  2.5369 -3.227242      3.501284 
1 1 1 13 10 33 o 45.572  2.0101 16.309   1.4360  17.944   1.9026  14.146   2.1890  47.705  2.5534 42.243  3.3326 5.461918       4.198354 
1 1 1 13 10 34 o 8.3623  3.8166 -0.7335  1.1115  -0.5056  1.4875  -1.0216  1.6725  10.379  4.6010 10.348  4.7070 0.3134537E-01  6.582135 
1 1 1 13 10 35 o 179.199 1.5948 252.057  4.4803  250.946  6.0588  253.396  6.6552  178.699 2.1628 179.524 2.3647 -0.8252869     3.204621 
1 1 1 13 10 36 o 159.429 1.5345 199.509  3.8351  204.156  5.2790  194.316  5.5809  161.179 2.0892 157.212 2.2645 3.967606       3.081028 
1 1 1 13 10 37 o 29.504  2.6911 6.9104   1.2310  6.5309   1.6512  7.3853   1.8469  28.492  3.7909 30.290  3.9863 -1.798136      5.501059 
1 1 1 13 10 38 o 94.256  1.4627 69.739   2.1613  69.507   2.9066  70.025   3.2325  94.044  1.9715 94.366  2.1851 -0.3218613     2.943012 
1 1 1 13 10 39 o 80.522  1.4879 50.903   1.8781  49.530   2.5392  52.561   2.7907  79.373  2.0407 81.748  2.1776 -2.375496      2.984388 
1 1 1 13 10 40 o 53.436  1.7359 22.433   1.4541  22.586   1.9991  22.261   2.1189  53.563  2.3808 53.161  2.5426 0.4025345      3.483233 
1 1 1 13 10 41 o 43.577  1.9488 14.930   1.3313  15.474   1.8065  14.285   1.9694  44.232  2.6170 42.435  2.9794 1.797073       3.965482 
1 1 1 13 10 42 o 54.646  1.7400 23.468   1.4906  22.788   2.0079  24.303   2.2249  53.788  2.3812 55.526  2.5560 -1.738308      3.493330 
1 1 1 13 10 43 o 74.639  1.5270 43.759   1.7867  41.380   2.3726  46.876   2.7157  72.515  2.0871 77.157  2.2452 -4.641975      3.065429 
1 1 1 13 10 44 o 50.119  1.9062 19.758   1.4977  20.699   1.9471  18.393   2.3438  51.245  2.4237 48.119  3.1240 3.126034       3.953934 
1 1 1 13 10 45 o 67.878  1.5847 36.206   1.6862  34.383   2.2227  38.677   2.5883  66.079  2.1457 70.050  2.3569 -3.971794      3.187318 
1 1 1 13 10 46 f 28.050  2.7063 6.2708   1.1753  5.5851   1.5787  7.1233   1.7603  26.198  3.9682 29.674  3.8768 -3.476225      5.547623 
1 1 1 13 10 47 o 17.828  4.4651 2.6437   1.2452  3.1755   1.7229  2.0620   1.8018  19.518  5.4317 16.593  5.7158 2.925241       7.885093 
1 1 1 13 10 48 o 11.530  4.5556 0.6127   1.2176  0.2356   1.7329  0.9804   1.7113  12.449  5.2337 13.856  5.4235 -1.407327      7.536986 
1 1 1 13 10 49 o 36.386  2.3855 10.493   1.3532  10.348   1.8598  10.655   1.9726  35.945  3.3385 36.442  3.4958 -0.4965668     4.833825 
1 1 1 13 10 50 o 54.236  1.8428 23.157   1.5668  22.749   2.2221  23.560   2.2096  53.633  2.6429 54.593  2.5818 -0.9595757     3.694657 
1 1 1 13 10 51 o 61.088  1.5717 29.348   1.5052  31.220   2.1730  27.622   2.0869  62.904  2.2036 59.160  2.2502 3.743557       3.149471 
1 1 1 13 10 52 o 42.132  1.9010 13.986   1.2556  15.452   1.7994  12.596   1.7529  44.107  2.6140 39.760  2.8307 4.347157       3.853084 
1 1 1 13 10 53 o 79.981  1.4384 50.302   1.8035  46.639   2.4997  54.278   2.6046  76.882  2.0740 82.958  2.0028 -6.076149      2.883165 
1 1 1 13 10 54 o 14.312  4.3794 1.6665   1.0743  1.2173   1.5154  2.1203   1.5232  13.806  5.1774 16.233  5.2492 -2.427064      7.372907 
1 1 1 13 10 55 o 45.444  1.8481 16.287   1.3166  15.353   1.8690  17.206   1.8550  43.884  2.7303 46.513  2.5537 -2.629486      3.738477 
1 1 1 13 10 56 o 48.017  1.7955 18.185   1.3515  18.173   1.9069  18.198   1.9159  47.783  2.5549 47.813  2.5654 -0.3013992E-01 3.620615 
1 1 1 13 10 57 o 73.507  1.4809 42.547   1.7065  40.716   2.4085  44.393   2.4183  71.728  2.1419 74.924  2.0589 -3.195908      2.970979 
1 1 1 13 10 58 o 44.269  1.8216 15.477   1.2642  16.171   1.7981  14.800   1.7777  45.017  2.5585 43.033  2.6480 1.984779       3.682076 
1 1 1 13 10 59 o 35.793  2.2510 10.206   1.2566  11.183   1.7391  9.1384   1.8177  37.246  3.0040 33.470  3.5169 3.776356       4.625200 
1 1 1 13 10 60 o 39.490  2.0477 12.393   1.2633  13.754   1.7532  10.924   1.8219  41.397  2.7166 36.702  3.1985 4.694607       4.196486 
1 1 1 13 10 61 o 43.014  1.9745 14.668   1.3314  12.682   1.7926  17.112   1.9884  39.638  2.9050 46.133  2.7622 -6.495190      4.008536 
1 1 1 13 10 62 o 10.484  4.2064 0.5043   1.0538  0.2345   1.5299  0.7478   1.4536  11.482  4.8769 12.298  4.9382 -0.8167725     6.940444 
1 1 1 13 10 63 o 53.481  1.6748 22.633   1.4042  24.322   2.0518  21.146   1.9258  55.178  2.3720 51.443  2.3880 3.735096       3.365819 
1 1 1 13 10 64 o 11.167  4.2815 0.7745   1.0501  0.0251   1.5084  1.4792   1.4627  10.976  4.7542 14.011  5.1165 -3.035161      6.984369 
1 1 1 13 10 65 o 26.138  3.0760 5.6149   1.2363  7.7668   1.9624  4.1989   1.5919  30.218  4.2608 21.856  4.7793 8.362381       6.402874 
1 1 1 13 10 66 o 33.832  2.5093 9.2428   1.3214  9.6908   1.9847  8.8860   1.7710  34.033  3.7840 32.720  3.5073 1.312992       5.159479 
1 1 1 13 10 67 o 22.193  3.5551 4.1456   1.1951  2.7090   1.8172  5.2405   1.5865  17.451  5.7388 24.676  4.2547 -7.225346      7.144003 
1 1 1 13 10 68 f 14.158  4.2663 1.7250   1.0252  2.2767   1.5462  1.2922   1.3695  16.137  5.2929 13.244  4.9306 2.893107       7.233644 
1 1 1 13 10 69 o 44.024  1.9980 15.465   1.3789  14.962   1.6722  16.535   2.4376  43.027  2.4897 44.586  3.5161 -1.559135      4.308310 
1 1 1 13 10 70 o 36.046  2.7727 10.616   1.5548  10.573   2.2417  10.656   2.1583  35.115  4.1526 35.391  3.9578 -0.2764282     5.736595 
1 1 1 13 10 71 o 14.870  5.0157 1.9271   1.3864  1.0738   1.9652  2.7725   1.9561  13.765  5.6616 17.343  5.9567 -3.577754      8.218036 
1 1 1 13 10 72 o 12.136  5.0596 0.6713   1.5993  0.0037   2.1627  1.4769   2.3759  12.441  5.5298 15.024  6.2071 -2.582904      8.313039 
1 1 1 13 11 0  o 327.690 3.0877 842.515  15.859  842.515  15.859  842.515  15.859  327.690 3.0877 327.690 3.0877 -0.000000      0.000000 
1 1 1 13 11 1  o 129.937 1.4259 132.385  2.9045  126.388  3.9988  139.083  4.2257  126.938 2.0095 133.159 2.0243 -6.221558      2.852323 
1 1 1 13 11 2  o 218.391 1.6733 374.030  5.7288  371.103  8.0557  377.024  8.1486  217.483 2.3628 219.210 2.3712 -1.727356      3.347431 
1 1 1 13 11 3  o 152.948 1.4562 183.431  3.4915  181.632  4.9103  185.270  4.9657  152.168 2.0584 153.685 2.0611 -1.516434      2.912925 
1 1 1 13 11 4  o 140.029 1.4960 153.756  3.2840  153.145  4.8579  154.271  4.4564  139.718 2.2179 140.241 2.0270 -0.5225525     3.004657 
1 1 1 13 11 5  o 120.912 1.4077 114.634  2.6683  114.913  3.7630  114.352  3.7841  121.038 1.9832 120.742 1.9992 0.2964096      2.815982 
1 1 1 13 11 6  o 141.215 1.5103 156.372  3.3435  155.799  4.9436  156.855  4.5392  140.921 2.2377 141.408 2.0476 -0.4870911     3.033183 
1 1 1 13 11 7  o 195.814 1.9391 300.751  5.9526  300.284  8.4278  301.216  8.4087  195.596 2.7485 195.900 2.7381 -0.3041992     3.879608 
1 1 1 13 11 8  o 223.433 2.0682 391.612  7.2441  403.466  10.474  380.740  10.030  226.698 2.9471 220.226 2.9053 6.472107       4.138379 
1 1 1 13 11 9  o 56.714  2.1110 25.232   1.8768  25.097   2.6549  25.368   2.6536  56.457  3.0105 56.763  2.9926 -0.3064537     4.244901 
1 1 1 13 11 10 f 94.196  1.8944 69.596   2.7974  60.897   4.1413  76.896   3.7937  88.068  2.9996 98.991  2.4446 -10.92297      3.869601 
1 1 1 13 11 11 o 107.729 1.8481 91.027   3.1211  93.872   4.1381  87.273   4.7536  109.374 2.4134 105.435 2.8759 3.939064       3.754415 
1 1 1 13 11 12 o 196.541 2.2347 303.078  6.8853  308.656  9.8521  297.752  9.6264  198.243 3.1701 194.712 3.1537 3.531387       4.471636 
1 1 1 13 11 13 o 172.535 2.1143 233.542  5.7186  233.744  8.0373  233.335  8.1382  172.534 2.9715 172.378 3.0116 0.1553650      4.230786 
1 1 1 13 11 14 o 36.707  2.9728 10.650   1.6960  7.0904   2.7698  12.785   2.1451  29.415  6.2020 40.191  3.4377 -10.77627      7.091006 
1 1 1 13 11 15 o 53.432  1.9636 22.396   1.6447  23.208   2.3338  21.596   2.3183  54.300  2.7506 52.368  2.8344 1.931480       3.949676 
1 1 1 13 11 16 o 113.666 1.5330 101.323  2.7317  99.895   3.8304  102.801  3.8968  112.833 2.1655 114.462 2.1717 -1.629021      3.066808 
1 1 1 13 11 17 o 196.632 1.7354 303.269  5.3496  307.626  7.6381  299.075  7.4947  197.971 2.4611 195.201 2.4492 2.769775       3.472117 
1 1 1 13 11 18 f 142.525 1.5564 159.315  3.4775  163.207  4.9773  155.604  4.8607  144.214 2.2016 140.815 2.2019 3.399338       3.113729 
1 1 1 13 11 19 f 257.475 1.8424 520.065  7.4365  523.995  10.554  516.190  10.480  258.338 2.6060 256.407 2.6072 1.931549       3.686325 
1 1 1 13 11 20 o 69.125  1.5429 37.477   1.6720  33.061   2.2943  42.477   2.4416  64.903  2.2550 73.572  2.1170 -8.669472      3.092963 
1 1 1 13 11 21 o 58.733  1.6504 27.058   1.5196  27.869   2.1800  26.292   2.1194  59.584  2.3339 57.874  2.3360 1.710018       3.302096 
1 1 1 13 11 22 o 83.143  1.4481 54.218   1.8875  51.275   2.6339  57.324   2.7062  80.830  2.0786 85.468  2.0198 -4.637894      2.898298 
1 1 1 13 11 23 o 11.107  4.4859 0.4159   1.2071  0.6427   1.6196  0.1325   1.8105  13.029  5.2193 12.671  5.3395 0.3574486      7.466670 
1 1 1 13 11 24 o 115.892 1.4394 105.347  2.6152  110.317  3.6238  99.945   3.7778  118.561 1.9497 112.836 2.1357 5.725151       2.891795 
1 1 1 13 11 25 o 55.253  1.7724 23.956   1.5353  22.045   2.0491  26.402   2.3181  52.976  2.4673 57.971  2.5508 -4.994835      3.548800 
1 1 1 13 11 26 o 71.163  1.5695 39.731   1.7509  39.262   2.3407  40.326   2.6383  70.715  2.1115 71.653  2.3487 -0.9379501     3.158283 
1 1 1 13 11 27 o 88.660  1.4799 61.668   2.0569  58.753   2.7331  65.475   3.1236  86.507  2.0153 91.308  2.1822 -4.801376      2.970427 
1 1 1 13 11 28 o 85.335  1.4837 57.133   1.9848  55.487   2.6534  59.224   2.9905  84.063  2.0135 86.833  2.1969 -2.770447      2.979997 
1 1 1 13 11 29 o 38.031  2.2746 11.404   1.3499  12.699   1.8343  9.8755   1.9936  40.064  2.9411 35.198  3.6668 4.865158       4.700596 
1 1 1 13 11 30 o 74.232  1.5692 43.246   1.8261  40.900   2.4146  46.379   2.7912  72.154  2.1346 76.819  2.3178 -4.665413      3.150974 
1 1 1 13 11 31 o 99.212  1.4566 77.241   2.2654  74.450   3.0104  80.885   3.4400  97.358  1.9724 101.457 2.1629 -4.099030      2.927194 
1 1 1 13 11 32 o 18.687  4.0665 2.8688   1.1574  3.0385   1.6012  2.6830   1.6750  19.220  5.1919 18.234  5.4441 0.9861183      7.522877 
1 1 1 13 11 33 o 17.442  4.4794 2.5050   1.2312  5.6859   1.8107  -0.2305  1.6791  26.408  4.5373 11.545  5.0084 14.86305       6.758038 
1 1 1 13 11 34 o 45.306  2.1686 16.139   1.5402  13.508   2.2113  18.617   2.1466  41.211  3.4546 48.527  2.8340 -7.315331      4.468312 
1 1 1 13 11 35 o 61.327  1.7531 29.542   1.6854  29.992   2.3792  29.090   2.3880  61.727  2.4587 60.788  2.5059 0.9397430      3.510609 
1 1 1 13 11 36 o 70.042  1.6772 38.533   1.8416  39.728   2.6196  37.365   2.5894  71.049  2.3520 68.898  2.3974 2.150963       3.358434 
1 1 1 13 11 37 f 93.527  1.5461 68.692   2.2669  67.207   3.1884  70.211   3.2237  92.423  2.2006 94.469  2.1767 -2.046333      3.095283 
1 1 1 13 11 38 o 73.325  1.5754 42.230   1.8110  44.212   2.5068  40.066   2.6190  74.963  2.1332 71.334  2.3420 3.628899       3.167872 
1 1 1 13 11 39 o 7.0444  3.3888 -1.6404  1.0999  -1.8474  1.4967  -1.3973  1.6219  8.5970  4.0853 9.6250  4.4706 -1.027985      6.056073 
1 1 1 13 11 40 o 12.563  4.5209 1.0672   1.1361  1.7374   1.5596  0.3095   1.6584  15.384  5.3169 12.383  5.1565 3.001315       7.406685 
1 1 1 13 11 41 o 98.821  1.4633 76.704   2.2670  74.977   3.0459  78.849   3.3944  97.617  1.9903 100.072 2.1637 -2.454643      2.939914 
1 1 1 13 11 42 o 62.502  1.6342 30.703   1.6012  30.836   2.1800  30.548   2.3596  62.566  2.2226 62.245  2.4181 0.3210297      3.284371 
1 1 1 13 11 43 o 87.989  1.4928 60.827   2.0591  60.477   2.7675  61.261   3.0818  87.651  2.0141 88.175  2.2295 -0.5239410     3.004513 
1 1 1 13 11 44 o 34.032  2.2290 9.1663   1.1826  7.2524   1.6217  11.341   1.7284  30.019  3.5123 37.747  2.9442 -7.727388      4.583116 
1 1 1 13 11 45 o 43.380  1.9184 14.813   1.3046  15.658   1.8456  13.969   1.8444  44.437  2.6617 41.932  2.8222 2.505188       3.879338 
1 1 1 13 11 46 o 57.336  1.6346 25.851   1.4693  25.387   2.0576  26.333   2.0988  56.729  2.3136 57.776  2.3172 -1.046280      3.274510 
1 1 1 13 11 47 o 71.591  1.5070 40.288   1.6913  40.631   2.3874  39.944   2.3965  71.794  2.1212 71.179  2.1477 0.6144028      3.018587 
1 1 1 13 11 48 o 112.135 1.4022 98.819   2.4649  103.448  3.5464  94.492   3.4285  114.585 1.9743 109.506 1.9972 5.078758       2.808274 
1 1 1 13 11 49 o 66.482  1.5657 34.764   1.6318  33.950   2.3057  35.581   2.3097  65.580  2.2427 67.147  2.1942 -1.567268      3.137562 
1 1 1 13 11 50 o 39.044  2.0661 12.058   1.2601  10.338   1.7701  13.825   1.7943  35.913  3.1769 41.672  2.7623 -5.758869      4.209857 
1 1 1 13 11 51 o 18.812  4.1629 2.9566   1.1952  3.8679   1.5882  1.7667   1.8149  21.416  4.8440 15.770  5.7084 5.646380       7.486631 
1 1 1 13 11 52 f 33.645  2.5842 9.0252   1.3526  11.825   1.9544  6.4519   1.8738  38.355  3.2821 27.916  4.4297 10.43902       5.513080 
1 1 1 13 11 53 o 36.442  2.3527 10.558   1.3369  9.5848   2.0438  11.286   1.7675  34.299  3.8686 37.512  3.0315 -3.212475      4.914876 
1 1 1 13 11 54 o 55.489  1.6963 24.273   1.4756  24.692   2.0948  23.859   2.0788  55.809  2.3943 54.854  2.4174 0.9550667      3.402460 
1 1 1 13 11 55 o 29.224  2.6233 6.8451   1.1890  6.2407   1.6668  7.4714   1.6967  27.498  3.9826 30.244  3.6525 -2.746040      5.403891 
1 1 1 13 11 56 f 52.389  1.7465 21.665   1.4344  18.709   2.0122  24.720   2.0453  48.389  2.6629 55.806  2.3379 -7.416786      3.543555 
1 1 1 13 11 57 o 33.752  2.2985 9.0879   1.2089  10.335   1.7335  7.9071   1.6869  35.749  3.1246 31.100  3.5220 4.648628       4.708211 
1 1 1 13 11 58 o 35.555  2.2497 10.084   1.2475  9.9080   1.8441  10.233   1.6939  34.851  3.4194 35.556  3.0690 -0.7046280     4.594666 
1 1 1 13 11 59 o 16.999  4.3942 2.4816   1.1795  3.1745   1.6984  1.8360   1.6394  19.019  5.4284 15.335  5.4399 3.684340       7.685075 
1 1 1 13 11 60 o 13.602  4.6998 1.4553   1.2186  1.0234   1.7884  1.8295   1.6649  13.719  5.4885 15.301  5.4762 -1.581427      7.753211 
1 1 1 13 11 61 o 13.354  4.6754 1.3903   1.2079  2.7931   1.7556  0.1293   1.6644  17.835  5.6217 11.675  5.0256 6.160584       7.540556 
1 1 1 13 11 62 o 27.022  3.0445 5.9838   1.2672  4.3327   1.6811  8.1569   1.9285  22.159  4.9626 31.126  4.0481 -8.966309      6.404196 
1 1 1 13 11 63 o 34.776  2.2854 9.7094   1.2390  9.6132   1.8268  9.7913   1.6861  34.088  3.4667 34.563  3.1463 -0.4752655     4.681574 
1 1 1 13 11 64 o 9.9391  4.1983 0.2055   1.1237  -0.2997  1.6032  0.6934   1.5755  10.701  4.7586 12.378  5.0776 -1.676631      6.958897 
1 1 1 13 11 65 o 26.345  3.0669 5.7205   1.2429  6.3832   1.7149  4.9871   1.8040  27.338  4.1301 23.651  5.0209 3.687078       6.501293 
1 1 1 13 11 66 o 32.208  2.5851 8.4156   1.2943  7.5278   1.7430  9.5066   1.9323  29.870  3.8090 33.660  3.7245 -3.789721      5.327291 
1 1 1 13 11 67 o 39.193  2.3156 12.373   1.4164  11.803   1.8247  13.239   2.2469  37.876  3.1002 39.778  3.6436 -1.902451      4.784058 
1 1 1 13 11 68 o 57.527  1.9972 26.437   1.8011  30.918   3.1554  24.272   2.1935  61.145  3.3041 54.794  2.5536 6.351326       4.175903 
1 1 1 13 11 69 o 37.874  2.9975 11.827   1.7652  10.742   2.5053  12.897   2.4875  34.880  4.7015 38.704  4.1652 -3.824150      6.281206 
1 1 1 13 11 70 f 15.356  5.1764 2.1052   1.4766  0.2967   1.9860  4.3407   2.2080  12.451  5.4240 20.941  6.2503 -8.489796      8.275615 
1 1 1 13 11 71 o 27.639  3.9558 6.6514   1.6651  8.2780   2.4343  5.2212   2.2827  29.676  5.4329 22.797  6.2160 6.878166       8.255598 
1 1 1 13 12 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 13 12 1  o 99.226  3.4228 77.374   5.3243  73.559   7.5816  81.086   7.4790  96.477  5.0303 101.463 4.7019 -4.986504      6.885617 
1 1 1 13 12 2  o 102.760 4.8685 83.202   7.8428  83.202   7.8428  0.0000   0.0000  102.760 4.8685 ?       ?      0.000000       4.868505 
1 1 1 13 12 3  o 245.886 2.8037 474.730  10.807  468.583  16.954  478.938  14.027  243.972 4.4329 246.830 3.6249 -2.858002      5.726328 
1 1 1 13 12 4  o 60.723  2.1815 28.933   2.0766  28.507   2.9643  29.344   2.9101  60.158  3.1542 61.122  3.0370 -0.9640541     4.378652 
1 1 1 13 12 5  o 64.397  2.0767 32.537   2.0965  35.259   2.9809  29.873   2.9491  67.009  2.8377 61.670  3.0505 5.338474       4.166279 
1 1 1 13 12 6  o 57.840  2.3198 26.255   2.1034  28.158   3.2660  24.907   2.7496  59.751  3.5020 56.220  3.1322 3.530693       4.698386 
1 1 1 13 12 7  o 59.073  1.9409 27.377   1.7974  29.566   2.5789  25.308   2.5064  61.365  2.6807 56.771  2.8163 4.594883       3.888156 
1 1 1 13 12 8  o 81.359  1.6732 51.919   2.1341  52.997   3.0586  50.896   2.9791  82.173  2.3743 80.528  2.3599 1.644669       3.347618 
1 1 1 13 12 9  o 121.957 1.5028 116.647  2.8731  118.975  3.9541  114.043  4.1820  123.140 2.0483 120.550 2.2129 2.589844       3.015362 
1 1 1 13 12 10 o 127.925 1.5673 128.349  3.1431  128.960  4.4863  127.760  4.4048  128.189 2.2325 127.593 2.2021 0.5960083      3.135818 
1 1 1 13 12 11 o 96.034  1.4448 72.327   2.1751  74.799   3.1026  69.937   3.0501  97.637  2.0270 94.409  2.0609 3.228004       2.890702 
1 1 1 13 12 12 o 61.411  1.6819 29.582   1.6192  30.090   2.3090  29.091   2.2712  61.913  2.3790 60.877  2.3799 1.036236       3.365025 
1 1 1 13 12 13 o 139.373 1.5016 152.349  3.2808  149.854  4.3860  155.519  4.9435  138.193 2.0245 140.764 2.2402 -2.570663      3.019488 
1 1 1 13 12 14 o 275.466 2.0160 595.445  8.7058  598.397  11.862  591.998  12.817  276.018 2.7414 274.487 2.9786 1.530670       4.048100 
1 1 1 13 12 15 o 63.409  1.6262 31.539   1.6165  30.936   2.2407  32.194   2.3342  62.777  2.2768 64.039  2.3251 -1.261852      3.254240 
1 1 1 13 12 16 o 26.586  3.0248 5.6263   1.2382  3.4389   1.7675  7.7346   1.7352  20.494  5.4187 31.145  3.6215 -10.65129      6.517473 
1 1 1 13 12 17 o 111.320 1.4038 97.193   2.4498  98.796   3.4997  95.654   3.4303  112.200 1.9897 110.402 1.9820 1.797997       2.808422 
1 1 1 13 12 18 o 169.462 1.4982 225.259  3.9802  226.765  5.6555  223.780  5.6026  169.965 2.1226 168.844 2.1167 1.121490       2.997572 
1 1 1 13 12 19 o 128.598 1.4120 129.714  2.8466  130.623  4.0393  128.817  4.0124  129.004 1.9973 128.109 1.9979 0.8950653      2.825031 
1 1 1 13 12 20 o 66.506  1.5828 34.701   1.6503  32.731   2.3063  36.767   2.3623  64.560  2.2788 68.429  2.2022 -3.868591      3.168971 
1 1 1 13 12 21 o 60.998  1.6122 29.193   1.5417  27.610   2.1846  30.764   2.1759  59.288  2.3504 62.589  2.2176 -3.301167      3.231458 
1 1 1 13 12 22 o 94.848  1.4128 70.571   2.1007  68.597   2.9400  72.630   3.0026  93.473  2.0063 96.183  1.9913 -2.709923      2.826810 
1 1 1 13 12 23 o 156.792 1.4664 192.874  3.6045  203.364  5.2697  183.651  4.9412  160.924 2.0889 152.929 2.0610 7.994400       2.934505 
1 1 1 13 12 24 o 87.717  1.4219 60.365   1.9552  57.185   2.7125  63.804   2.8208  85.334  2.0276 90.141  1.9962 -4.806236      2.845360 
1 1 1 13 12 25 o 76.964  1.4727 46.479   1.7769  46.081   2.4925  46.890   2.5339  76.595  2.0758 77.263  2.0920 -0.6681595     2.947132 
1 1 1 13 12 26 o 119.314 1.4543 111.706  2.7201  111.684  3.6854  111.733  4.0315  119.248 1.9714 119.251 2.1565 -0.2937317E-02 2.921808 
1 1 1 13 12 27 o 49.810  1.9653 19.488   1.5346  18.070   2.0077  21.482   2.3802  47.845  2.6876 52.148  2.9233 -4.303932      3.971028 
1 1 1 13 12 28 o 84.288  1.4918 55.759   1.9712  55.313   2.6526  56.309   2.9459  83.905  2.0166 84.636  2.2203 -0.7311096     2.999395 
1 1 1 13 12 29 o 13.755  4.5609 1.4282   1.1469  1.7071   1.5230  1.0628   1.7431  15.294  5.2559 14.231  5.5004 1.063620       7.607822 
1 1 1 13 12 30 o 60.034  1.9940 28.324   1.8766  30.160   2.6805  26.559   2.6282  61.875  2.7634 58.051  2.8880 3.823784       3.997110 
1 1 1 13 12 31 o 87.410  1.5627 59.991   2.1414  61.250   3.0556  58.775   3.0019  88.249  2.2087 86.446  2.2151 1.802887       3.128095 
1 1 1 13 12 32 o 106.512 1.5295 89.077   2.5539  91.640   3.6490  86.615   3.5757  107.942 2.1564 104.939 2.1736 3.003563       3.061745 
1 1 1 13 12 33 o 49.831  1.9616 19.521   1.5323  19.033   2.1469  20.027   2.1878  49.050  2.8036 50.322  2.7841 -1.271351      3.951164 
1 1 1 13 12 34 f 8.9597  4.1036 -0.8931  1.2998  -0.9799  1.8707  -0.8121  1.8072  11.103  5.0217 11.099  4.9853 0.3979683E-02  7.076108 
1 1 1 13 12 35 o 42.145  2.1617 14.014   1.4234  13.429   2.0324  14.578   1.9943  41.094  3.1795 42.861  2.9867 -1.766911      4.362292 
1 1 1 13 12 36 o 67.767  1.7212 36.092   1.8286  35.840   2.5634  36.354   2.6091  67.442  2.4246 67.920  2.4504 -0.4787521     3.447206 
1 1 1 13 12 37 f 51.276  1.9163 20.680   1.5404  22.891   2.1974  18.544   2.1600  53.869  2.6021 48.371  2.8613 5.498302       3.867508 
1 1 1 13 12 38 o 31.019  2.8596 7.6656   1.3749  7.0073   1.9561  8.3085   1.9330  29.318  4.3911 32.087  3.9245 -2.769358      5.889242 
1 1 1 13 12 39 f 127.894 1.5680 128.535  3.1437  130.701  4.4996  126.470  4.3941  128.802 2.2284 126.704 2.2122 2.097260       3.140007 
1 1 1 13 12 40 o 24.146  3.5574 4.7270   1.3063  3.2154   1.8419  6.2567   1.8528  19.677  5.6646 27.640  4.4252 -7.963829      7.188250 
1 1 1 13 12 41 o 40.856  2.2651 13.199   1.4451  16.070   2.0968  10.601   1.9943  44.958  2.9921 36.356  3.5443 8.602085       4.638377 
1 1 1 13 12 42 o 24.740  3.4481 4.9534   1.3010  4.4546   1.8081  5.4890   1.8734  23.059  5.1338 25.729  4.8218 -2.669506      7.043101 
1 1 1 13 12 43 o 86.410  1.5133 58.689   2.0500  58.167   3.0572  59.116   2.7632  85.876  2.2709 86.627  2.0348 -0.7508240     3.049154 
1 1 1 13 12 44 o 61.502  1.6597 29.753   1.6002  28.333   2.3514  30.977   2.1841  59.884  2.5047 62.669  2.2231 -2.784718      3.348955 
1 1 1 13 12 45 o 55.615  1.7456 24.343   1.5220  22.690   2.2152  25.820   2.0946  53.555  2.6385 57.186  2.3364 -3.630920      3.524278 
1 1 1 13 12 46 o 45.805  1.9577 16.534   1.4058  18.168   2.0779  15.154   1.9089  47.806  2.7847 43.643  2.8049 4.163780       3.952498 
1 1 1 13 12 47 f 40.519  2.1469 12.993   1.3589  15.131   2.0651  11.359   1.8047  43.536  3.0449 37.683  3.0818 5.852665       4.332353 
1 1 1 13 12 48 o 57.212  1.8766 25.799   1.6831  27.900   2.4221  23.836   2.3407  59.345  2.6034 54.826  2.7234 4.519447       3.767573 
1 1 1 13 12 49 o 15.108  4.5245 1.8763   1.1556  2.6749   1.7108  1.2060   1.5672  17.955  5.5318 13.899  5.2539 4.055881       7.629126 
1 1 1 13 12 50 o 38.463  2.2022 11.734   1.3223  10.792   1.9510  12.535   1.7985  36.566  3.4440 39.585  2.9188 -3.019035      4.514454 
1 1 1 13 12 51 o 51.699  1.8544 21.089   1.5030  25.169   2.3058  18.074   1.9818  56.297  2.6127 47.623  2.6652 8.674038       3.732218 
1 1 1 13 12 52 o 36.568  2.5830 10.677   1.4712  12.284   2.2307  9.4397   1.9573  38.878  3.7048 34.031  3.7301 4.847359       5.257267 
1 1 1 13 12 53 o 82.264  1.6940 53.385   2.1846  51.639   3.2326  54.852   2.9638  80.580  2.5590 83.176  2.2730 -2.595985      3.422699 
1 1 1 13 12 54 o 27.952  3.3485 6.3706   1.4380  4.9252   2.1359  7.5691   1.9449  23.690  5.7982 30.180  4.2268 -6.489902      7.175302 
1 1 1 13 12 55 o 19.735  4.5929 3.3374   1.3943  4.6272   1.8878  1.7892   2.0683  23.048  5.3309 16.002  6.0387 7.046728       8.055068 
1 1 1 13 12 56 o 39.484  2.5611 12.494   1.5767  11.599   2.3360  13.243   2.1368  37.430  4.0455 40.319  3.4126 -2.889725      5.292662 
1 1 1 13 12 57 o 36.315  2.5153 10.583   1.4231  9.0221   2.2971  11.556   1.8130  32.625  4.6207 37.736  3.0918 -5.111160      5.559660 
1 1 1 13 12 58 o 31.431  2.6022 7.9665   1.2707  7.5444   1.7912  8.3940   1.8028  30.073  3.8907 31.840  3.6796 -1.767036      5.355044 
1 1 1 13 12 59 o 22.800  3.4512 4.3278   1.1949  3.3685   1.6580  5.3646   1.7238  19.445  5.2958 24.939  4.5776 -5.494537      7.000028 
1 1 1 13 12 60 o 15.967  4.6009 2.2168   1.2146  2.6086   1.6544  1.7588   1.7888  17.226  5.4601 15.189  5.6389 2.037270       7.849236 
1 1 1 13 12 61 o 15.525  4.7772 2.0891   1.2763  2.2819   1.8040  1.8959   1.8061  16.407  5.7155 15.482  5.6806 0.9247074      8.058298 
1 1 1 13 12 62 o 7.1992  3.4872 -1.8476  1.2147  -1.3459  1.7372  -2.3277  1.6991  9.7655  4.5660 8.6441  4.1719 1.121427       6.184894 
1 1 1 13 12 63 o 32.557  2.8502 8.6560   1.4400  9.6683   2.1019  7.7606   1.9769  33.762  4.0522 30.054  4.3200 3.707912       5.923121 
1 1 1 13 12 64 o 24.689  3.6540 5.1480   1.3715  5.2254   2.0335  5.0833   1.8576  23.853  5.5437 23.754  5.1379 0.9909821E-01  7.558484 
1 1 1 13 12 65 o 22.505  3.9303 4.3496   1.3362  2.3237   1.9209  6.2488   1.8599  16.427  5.8819 26.677  4.6143 -10.25004      7.475868 
1 1 1 13 12 66 o 20.873  4.0440 3.7855   1.2755  4.6201   1.8231  2.9853   1.7851  22.430  5.2736 17.969  5.6693 4.460659       7.742812 
1 1 1 13 12 67 o 12.187  4.6175 1.0611   1.2123  1.2036   1.6648  0.9001   1.7688  13.441  5.3217 13.043  5.3686 0.3982096      7.559284 
1 1 1 13 12 68 o 11.585  4.8868 0.4852   1.5190  2.5965   2.1002  -1.8307  2.1996  16.875  6.1357 10.523  4.9867 6.351850       7.906552 
1 1 1 13 12 69 o 17.808  5.3133 3.0059   1.5959  2.1413   2.0922  4.2087   2.4678  15.765  6.0437 20.194  6.6899 -4.429161      9.015600 
1 1 1 13 13 0  o 229.564 3.4628 413.675  12.455  413.675  12.455  413.675  12.455  229.564 3.4628 229.564 3.4628 0.000000       0.000000 
1 1 1 13 13 1  o 58.200  2.4704 26.714   2.2447  26.714   2.2447  26.714   2.2447  58.200  2.4704 58.200  2.4704 -0.000000      0.000000 
1 1 1 13 13 2  o 36.171  3.4488 10.547   1.9148  10.547   1.9148  10.547   1.9148  36.171  3.4488 36.171  3.4488 -0.000000      0.000000 
1 1 1 13 13 3  o 136.425 2.0314 146.061  4.3423  146.061  4.3423  146.061  4.3423  136.425 2.0314 136.425 2.0314 0.000000       0.000000 
1 1 1 13 13 4  o 72.994  2.2551 41.910   2.5749  41.910   2.5749  41.910   2.5749  72.994  2.2551 72.994  2.2551 -0.000000      0.000000 
1 1 1 13 13 5  o 82.790  2.1769 53.871   2.8209  53.871   2.8209  53.871   2.8209  82.790  2.1769 82.790  2.1769 -0.000000      0.000000 
1 1 1 13 13 6  o 113.299 2.0187 100.768  3.5829  100.768  3.5829  100.768  3.5829  113.299 2.0187 113.299 2.0187 0.000000       0.000000 
1 1 1 13 13 7  o 162.928 2.2962 208.347  5.8623  208.347  5.8623  208.347  5.8623  162.928 2.2962 162.928 2.2962 -0.000000      0.000000 
1 1 1 13 13 8  f 140.574 2.2246 155.116  4.8996  155.116  4.8996  155.116  4.8996  140.574 2.2246 140.574 2.2246 -0.000000      0.000000 
1 1 1 13 13 9  o 35.615  3.8961 10.315   2.1091  10.315   2.1091  10.315   2.1091  35.615  3.8961 35.615  3.8961 0.000000       0.000000 
1 1 1 13 13 10 o 128.960 2.8810 130.712  5.8178  130.712  5.8178  130.712  5.8178  128.960 2.8810 128.960 2.8810 0.000000       0.000000 
1 1 1 13 13 11 o 115.187 2.4480 104.236  4.4160  104.236  4.4160  104.236  4.4160  115.187 2.4480 115.187 2.4480 0.000000       0.000000 
1 1 1 13 13 12 o 113.084 2.4108 100.465  4.2694  100.465  4.2694  100.465  4.2694  113.084 2.4108 113.084 2.4108 -0.000000      0.000000 
1 1 1 13 13 13 o 85.719  2.5105 57.802   3.3670  57.802   3.3670  57.802   3.3670  85.719  2.5105 85.719  2.5105 0.000000       0.000000 
1 1 1 13 13 14 o 67.764  2.4843 36.176   2.6311  36.176   2.6311  36.176   2.6311  67.764  2.4843 67.764  2.4843 0.000000       0.000000 
1 1 1 13 13 15 o 193.325 2.4670 293.414  7.4740  293.414  7.4740  293.414  7.4740  193.325 2.4670 193.325 2.4670 0.000000       0.000000 
1 1 1 13 13 16 f 78.736  2.3204 48.768   2.8585  48.768   2.8585  48.768   2.8585  78.736  2.3204 78.736  2.3204 -0.000000      0.000000 
1 1 1 13 13 17 o 112.713 2.1865 99.785   3.8602  99.785   3.8602  99.785   3.8602  112.713 2.1865 112.713 2.1865 0.000000       0.000000 
1 1 1 13 13 18 o 53.985  3.2439 23.139   2.7226  23.139   2.7226  23.139   2.7226  53.985  3.2439 53.985  3.2439 0.000000       0.000000 
1 1 1 13 13 19 o 74.432  2.7240 43.668   3.1688  43.668   3.1688  43.668   3.1688  74.432  2.7240 74.432  2.7240 0.000000       0.000000 
1 1 1 13 13 20 o 25.693  6.5300 6.1135   2.2741  6.1135   2.2741  6.1135   2.2741  25.693  6.5300 25.693  6.5300 -0.000000      0.000000 
1 1 1 13 13 21 o 253.381 3.2099 504.717  12.746  504.717  12.746  504.717  12.746  253.381 3.2099 253.381 3.2099 0.000000       0.000000 
1 1 1 13 13 22 o 36.988  3.9746 11.131   2.2374  11.131   2.2374  11.131   2.2374  36.988  3.9746 36.988  3.9746 0.000000       0.000000 
1 1 1 13 13 23 o 13.651  6.8117 2.1740   1.7743  2.1740   1.7743  2.1740   1.7743  13.651  6.8117 13.651  6.8117 0.000000       0.000000 
1 1 1 13 13 24 o 7.7910  5.2011 -0.5768  1.7381  -0.5768  1.7381  -0.5768  1.7381  7.7910  5.2011 7.7910  5.2011 -0.000000      0.000000 
1 1 1 13 13 25 o 144.617 2.2388 164.295  5.0728  164.295  5.0728  164.295  5.0728  144.617 2.2388 144.617 2.2388 0.000000       0.000000 
1 1 1 13 13 26 o 119.792 2.1812 112.762  4.0931  112.762  4.0931  112.762  4.0931  119.792 2.1812 119.792 2.1812 0.000000       0.000000 
1 1 1 13 13 27 o 95.318  2.2488 71.454   3.3562  71.454   3.3562  71.454   3.3562  95.318  2.2488 95.318  2.2488 -0.000000      0.000000 
1 1 1 13 13 28 o 6.8613  4.7467 -1.4040  1.7420  -1.4040  1.7420  -1.4040  1.7420  6.8613  4.7467 6.8613  4.7467 -0.000000      0.000000 
1 1 1 13 13 29 o 58.724  2.5332 27.244   2.3222  27.244   2.3222  27.244   2.3222  58.724  2.5332 58.724  2.5332 0.000000       0.000000 
1 1 1 13 13 30 f 89.399  2.5144 62.947   3.5176  62.947   3.5176  62.947   3.5176  89.399  2.5144 89.399  2.5144 0.000000       0.000000 
1 1 1 13 13 31 o 14.521  6.8016 2.4568   1.7328  2.4568   1.7328  2.4568   1.7328  14.521  6.8016 14.521  6.8016 0.000000       0.000000 
1 1 1 13 13 32 o 19.013  6.5900 3.7386   1.7721  3.7386   1.7721  3.7386   1.7721  19.013  6.5900 19.013  6.5900 -0.000000      0.000000 
1 1 1 13 13 33 o 36.554  3.4957 10.813   1.9611  10.813   1.9611  10.813   1.9611  36.554  3.4957 36.554  3.4957 0.000000       0.000000 
1 1 1 13 13 34 o 92.749  2.5334 67.783   3.6773  67.783   3.6773  67.783   3.6773  92.749  2.5334 92.749  2.5334 0.000000       0.000000 
1 1 1 13 13 35 o 66.330  2.5708 34.754   2.6641  34.754   2.6641  34.754   2.6641  66.330  2.5708 66.330  2.5708 0.000000       0.000000 
1 1 1 13 13 36 o 226.413 2.7101 403.524  9.6163  403.524  9.6163  403.524  9.6163  226.413 2.7101 226.413 2.7101 -0.000000      0.000000 
1 1 1 13 13 37 o 22.795  5.9844 4.8852   1.8477  4.8852   1.8477  4.8852   1.8477  22.795  5.9844 22.795  5.9844 0.000000       0.000000 
1 1 1 13 13 38 o 22.535  5.8482 4.7593   1.7854  4.7593   1.7854  4.7593   1.7854  22.535  5.8482 22.535  5.8482 0.000000       0.000000 
1 1 1 13 13 39 o 56.857  2.6453 25.608   2.3463  25.608   2.3463  25.608   2.3463  56.857  2.6453 56.857  2.6453 0.000000       0.000000 
1 1 1 13 13 40 o 25.802  5.1192 5.8614   1.8396  5.8614   1.8396  5.8614   1.8396  25.802  5.1192 25.802  5.1192 -0.000000      0.000000 
1 1 1 13 13 41 o 17.180  6.8513 3.2654   1.7858  3.2654   1.7858  3.2654   1.7858  17.180  6.8513 17.180  6.8513 0.000000       0.000000 
1 1 1 13 13 42 o 33.812  3.4138 9.3012   1.7672  9.3012   1.7672  9.3012   1.7672  33.812  3.4138 33.812  3.4138 -0.000000      0.000000 
1 1 1 13 13 43 o 52.729  2.5089 22.040   2.0632  22.040   2.0632  22.040   2.0632  52.729  2.5089 52.729  2.5089 0.000000       0.000000 
1 1 1 13 13 44 f 44.485  2.8163 15.791   1.9460  15.791   1.9460  15.791   1.9460  44.485  2.8163 44.485  2.8163 0.000000       0.000000 
1 1 1 13 13 45 o 71.469  2.3892 40.359   2.6700  40.359   2.6700  40.359   2.6700  71.469  2.3892 71.469  2.3892 -0.000000      0.000000 
1 1 1 13 13 46 o 15.384  6.8164 2.7568   1.7337  2.7568   1.7337  2.7568   1.7337  15.384  6.8164 15.384  6.8164 -0.000000      0.000000 
1 1 1 13 13 47 o 46.336  2.9223 17.163   2.1034  17.163   2.1034  17.163   2.1034  46.336  2.9223 46.336  2.9223 0.000000       0.000000 
1 1 1 13 13 48 o 9.9909  6.0511 0.8224   1.7502  0.8224   1.7502  0.8224   1.7502  9.9909  6.0511 9.9909  6.0511 0.000000       0.000000 
1 1 1 13 13 49 f 46.163  3.0432 17.088   2.1803  17.088   2.1803  17.088   2.1803  46.163  3.0432 46.163  3.0432 -0.000000      0.000000 
1 1 1 13 13 50 o 39.230  3.0475 12.411   1.8482  12.411   1.8482  12.411   1.8482  39.230  3.0475 39.230  3.0475 0.000000       0.000000 
1 1 1 13 13 51 o 5.8365  4.1325 -1.9126  1.5626  -1.9126  1.5626  -1.9126  1.5626  5.8365  4.1325 5.8365  4.1325 0.000000       0.000000 
1 1 1 13 13 52 f 50.294  2.8743 20.248   2.2493  20.248   2.2493  20.248   2.2493  50.294  2.8743 50.294  2.8743 0.000000       0.000000 
1 1 1 13 13 53 o 22.104  6.2171 4.8034   1.8650  4.8034   1.8650  4.8034   1.8650  22.104  6.2171 22.104  6.2171 0.000000       0.000000 
1 1 1 13 13 54 o 8.1977  5.3714 -0.1139  1.7197  -0.1139  1.7197  -0.1139  1.7197  8.1977  5.3714 8.1977  5.3714 0.000000       0.000000 
1 1 1 13 13 55 o 56.754  2.9362 25.843   2.5964  25.843   2.5964  25.843   2.5964  56.754  2.9362 56.754  2.9362 0.000000       0.000000 
1 1 1 13 13 56 o 42.984  3.3955 15.075   2.2552  15.075   2.2552  15.075   2.2552  42.984  3.3955 42.984  3.3955 0.000000       0.000000 
1 1 1 13 13 57 o 9.8784  6.0552 0.8358   1.7996  0.8358   1.7996  0.8358   1.7996  9.8784  6.0552 9.8784  6.0552 0.000000       0.000000 
1 1 1 13 13 58 f 9.4762  5.9043 0.6548   1.7796  0.6548   1.7796  0.6548   1.7796  9.4762  5.9043 9.4762  5.9043 0.000000       0.000000 
1 1 1 13 13 59 o 12.157  6.8518 1.8394   1.9912  1.8394   1.9912  1.8394   1.9912  12.157  6.8518 12.157  6.8518 0.000000       0.000000 
1 1 1 13 13 60 o 16.017  7.2884 3.2459   1.9832  3.2459   1.9832  3.2459   1.9832  16.017  7.2884 16.017  7.2884 0.000000       0.000000 
1 1 1 13 13 61 o 37.981  3.5940 11.990   2.0959  11.990   2.0959  11.990   2.0959  37.981  3.5940 37.981  3.5940 0.000000       0.000000 
1 1 1 13 13 62 o 9.6028  5.9583 0.7663   1.7934  0.7663   1.7934  0.7663   1.7934  9.6028  5.9583 9.6028  5.9583 -0.000000      0.000000 
1 1 1 13 13 63 o 9.9878  6.0417 1.0198   1.7404  1.0198   1.7404  1.0198   1.7404  9.9878  6.0417 9.9878  6.0417 0.000000       0.000000 
1 1 1 13 13 64 o 10.110  6.2245 0.9788   1.9204  0.9788   1.9204  0.9788   1.9204  10.110  6.2245 10.110  6.2245 0.000000       0.000000 
1 1 1 13 13 65 o 11.099  6.4687 1.5254   1.8629  1.5254   1.8629  1.5254   1.8629  11.099  6.4687 11.099  6.4687 0.000000       0.000000 
1 1 1 13 13 66 o 12.816  7.3746 2.2729   2.3739  2.2729   2.3739  2.2729   2.3739  12.816  7.3746 12.816  7.3746 -0.000000      0.000000 
1 1 1 13 13 67 o 15.697  8.0221 3.6366   2.4938  3.6366   2.4938  3.6366   2.4938  15.697  8.0221 15.697  8.0221 0.000000       0.000000 
1 1 1 13 13 68 o 22.256  8.2537 6.2398   2.6741  6.2398   2.6741  6.2398   2.6741  22.256  8.2537 22.256  8.2537 0.000000       0.000000 
1 1 1 14 0  0  f 9.7798  6.2152 0.2065   2.0805  0.2065   2.0805  0.2065   2.0805  9.7798  6.2152 9.7798  6.2152 0.000000       0.000000 
1 1 1 14 0  1  o 395.680 3.5087 1227.73  21.760  1227.73  21.760  1227.73  21.760  395.680 3.5087 395.680 3.5087 0.000000       0.000000 
1 1 1 14 0  2  o 769.908 6.5088 4650.51  78.546  4650.51  78.546  4650.51  78.546  769.908 6.5088 769.908 6.5088 0.000000       0.000000 
1 1 1 14 0  3  o 393.236 3.4923 1212.61  21.525  1212.61  21.525  1212.61  21.525  393.236 3.4923 393.236 3.4923 0.000000       0.000000 
1 1 1 14 0  4  o 427.553 3.7598 1433.54  25.196  1433.54  25.196  1433.54  25.196  427.553 3.7598 427.553 3.7598 0.000000       0.000000 
1 1 1 14 0  5  o 891.193 7.5097 6232.75  104.901 6232.75  104.901 6232.75  104.901 891.193 7.5097 891.193 7.5097 0.000000       0.000000 
1 1 1 14 0  6  o 11.693  6.0739 1.5601   1.4445  1.5601   1.4445  1.5601   1.4445  11.693  6.0739 11.693  6.0739 0.000000       0.000000 
1 1 1 14 0  7  o 186.523 2.0361 272.821  5.9519  272.821  5.9519  272.821  5.9519  186.523 2.0361 186.523 2.0361 0.000000       0.000000 
1 1 1 14 0  8  o 90.223  1.7552 63.881   2.4804  63.881   2.4804  63.881   2.4804  90.223  1.7552 90.223  1.7552 -0.000000      0.000000 
1 1 1 14 0  9  o 110.073 1.9071 95.061   3.2887  95.061   3.2887  95.061   3.2887  110.073 1.9071 110.073 1.9071 0.000000       0.000000 
1 1 1 14 0  10 o 391.533 3.8072 1202.28  23.363  1202.28  23.363  1202.28  23.363  391.533 3.8072 391.533 3.8072 0.000000       0.000000 
1 1 1 14 0  11 o 160.809 2.0714 202.814  5.2200  202.814  5.2200  202.814  5.2200  160.809 2.0714 160.809 2.0714 0.000000       0.000000 
1 1 1 14 0  12 o 92.187  1.8965 66.703   2.7382  66.703   2.7382  66.703   2.7382  92.187  1.8965 92.187  1.8965 -0.000000      0.000000 
1 1 1 14 0  13 o 398.147 3.8750 1243.31  24.181  1243.31  24.181  1243.31  24.181  398.147 3.8750 398.147 3.8750 0.000000       0.000000 
1 1 1 14 0  14 o 6.3157  4.3815 -1.3177  1.5112  -1.3177  1.5112  -1.3177  1.5112  6.3157  4.3815 6.3157  4.3815 0.000000       0.000000 
1 1 1 14 0  15 o 40.129  3.3810 12.893   2.0922  12.893   2.0922  12.893   2.0922  40.129  3.3810 40.129  3.3810 -0.000000      0.000000 
1 1 1 14 0  16 o 115.165 1.8659 104.052  3.3667  104.052  3.3667  104.052  3.3667  115.165 1.8659 115.165 1.8659 -0.000000      0.000000 
1 1 1 14 0  17 o 20.651  5.1377 3.9044   1.4393  3.9044   1.4393  3.9044   1.4393  20.651  5.1377 20.651  5.1377 0.000000       0.000000 
1 1 1 14 0  18 o 213.563 2.3814 357.691  7.9707  357.691  7.9707  357.691  7.9707  213.563 2.3814 213.563 2.3814 0.000000       0.000000 
1 1 1 14 0  19 o 212.573 2.3781 354.387  7.9225  354.387  7.9225  354.387  7.9225  212.573 2.3781 212.573 2.3781 0.000000       0.000000 
1 1 1 14 0  20 o 50.276  2.2434 19.934   1.7601  19.934   1.7601  19.934   1.7601  50.276  2.2434 50.276  2.2434 -0.000000      0.000000 
1 1 1 14 0  21 o 252.143 2.6806 498.626  10.593  498.626  10.593  498.626  10.593  252.143 2.6806 252.143 2.6806 0.000000       0.000000 
1 1 1 14 0  22 o 56.375  2.3964 25.051   2.1091  25.051   2.1091  25.051   2.1091  56.375  2.3964 56.375  2.3964 0.000000       0.000000 
1 1 1 14 0  23 o 69.223  1.9283 37.653   2.0889  37.653   2.0889  37.653   2.0889  69.223  1.9283 69.223  1.9283 0.000000       0.000000 
1 1 1 14 0  24 o 48.008  2.2640 18.189   1.6952  18.189   1.6952  18.189   1.6952  48.008  2.2640 48.008  2.2640 -0.000000      0.000000 
1 1 1 14 0  25 o 31.520  3.0839 8.0118   1.4904  8.0118   1.4904  8.0118   1.4904  31.520  3.0839 31.520  3.0839 0.000000       0.000000 
1 1 1 14 0  26 f 249.461 2.6648 488.104  10.419  488.104  10.419  488.104  10.419  249.461 2.6648 249.461 2.6648 -0.000000      0.000000 
1 1 1 14 0  27 o 41.748  2.9006 13.863   1.8773  13.863   1.8773  13.863   1.8773  41.748  2.9006 41.748  2.9006 0.000000       0.000000 
1 1 1 14 0  28 o 148.389 2.5438 172.800  5.9137  172.800  5.9137  172.800  5.9137  148.389 2.5438 148.389 2.5438 -0.000000      0.000000 
1 1 1 14 0  29 o 172.760 2.4031 234.145  6.5054  234.145  6.5054  234.145  6.5054  172.760 2.4031 172.760 2.4031 0.000000       0.000000 
1 1 1 14 0  30 o 47.277  2.7727 17.706   2.0388  17.706   2.0388  17.706   2.0388  47.277  2.7727 47.277  2.7727 -0.000000      0.000000 
1 1 1 14 0  31 o 9.0962  5.7821 0.1799   1.8019  0.1799   1.8019  0.1799   1.8019  9.0962  5.7821 9.0962  5.7821 -0.000000      0.000000 
1 1 1 14 0  32 o 247.687 2.6592 481.221  10.323  481.221  10.323  481.221  10.323  247.687 2.6592 247.687 2.6592 -0.000000      0.000000 
1 1 1 14 0  33 o 25.990  4.2779 5.7113   1.6011  5.7113   1.6011  5.7113   1.6011  25.990  4.2779 25.990  4.2779 -0.000000      0.000000 
1 1 1 14 0  34 o 30.874  3.4947 7.7595   1.6355  7.7595   1.6355  7.7595   1.6355  30.874  3.4947 30.874  3.4947 -0.000000      0.000000 
1 1 1 14 0  35 o 41.841  2.8461 13.918   1.8470  13.918   1.8470  13.918   1.8470  41.841  2.8461 41.841  2.8461 -0.000000      0.000000 
1 1 1 14 0  36 o 219.857 2.4619 379.175  8.4830  379.175  8.4830  379.175  8.4830  219.857 2.4619 219.857 2.4619 -0.000000      0.000000 
1 1 1 14 0  37 o 121.583 1.9403 115.988  3.6961  115.988  3.6961  115.988  3.6961  121.583 1.9403 121.583 1.9403 0.000000       0.000000 
1 1 1 14 0  38 o 212.023 2.4078 352.649  8.0007  352.649  8.0007  352.649  8.0007  212.023 2.4078 212.023 2.4078 -0.000000      0.000000 
1 1 1 14 0  39 o 153.898 2.0591 185.809  4.9659  185.809  4.9659  185.809  4.9659  153.898 2.0591 153.898 2.0591 0.000000       0.000000 
1 1 1 14 0  40 o 383.584 3.4289 1154.74  20.615  1154.74  20.615  1154.74  20.615  383.584 3.4289 383.584 3.4289 -0.000000      0.000000 
1 1 1 14 0  41 o 58.341  1.9513 26.778   1.7801  26.778   1.7801  26.778   1.7801  58.341  1.9513 58.341  1.9513 -0.000000      0.000000 
1 1 1 14 0  42 o 69.635  1.7653 38.094   1.9243  38.094   1.9243  38.094   1.9243  69.635  1.7653 69.635  1.7653 -0.000000      0.000000 
1 1 1 14 0  43 o 5.4460  3.8309 -1.4469  1.2741  -1.4469  1.2741  -1.4469  1.2741  5.4460  3.8309 5.4460  3.8309 0.000000       0.000000 
1 1 1 14 0  44 o 56.090  1.9274 24.759   1.6903  24.759   1.6903  24.759   1.6903  56.090  1.9274 56.090  1.9274 -0.000000      0.000000 
1 1 1 14 0  45 o 131.131 1.6735 134.903  3.4389  134.903  3.4389  134.903  3.4389  131.131 1.6735 131.131 1.6735 0.000000       0.000000 
1 1 1 14 0  46 o 37.189  2.4496 10.992   1.4139  10.992   1.4139  10.992   1.4139  37.189  2.4496 37.189  2.4496 -0.000000      0.000000 
1 1 1 14 0  47 o 51.999  1.9264 21.296   1.5655  21.296   1.5655  21.296   1.5655  51.999  1.9264 51.999  1.9264 0.000000       0.000000 
1 1 1 14 0  48 o 10.855  5.7416 1.3416   1.3085  1.3416   1.3085  1.3416   1.3085  10.855  5.7416 10.855  5.7416 -0.000000      0.000000 
1 1 1 14 0  49 o 7.3190  4.8994 -0.5701  1.5608  -0.5701  1.5608  -0.5701  1.5608  7.3190  4.8994 7.3190  4.8994 -0.000000      0.000000 
1 1 1 14 0  50 o 69.572  2.1435 38.096   2.3328  38.096   2.3328  38.096   2.3328  69.572  2.1435 69.572  2.1435 -0.000000      0.000000 
1 1 1 14 0  51 f 115.651 2.0222 105.068  3.6637  105.068  3.6637  105.068  3.6637  115.651 2.0222 115.651 2.0222 0.000000       0.000000 
1 1 1 14 0  52 o 128.139 2.0500 128.987  4.1157  128.987  4.1157  128.987  4.1157  128.139 2.0500 128.139 2.0500 -0.000000      0.000000 
1 1 1 14 0  53 o 14.501  6.3203 2.3872   1.4914  2.3872   1.4914  2.3872   1.4914  14.501  6.3203 14.501  6.3203 -0.000000      0.000000 
1 1 1 14 0  54 o 9.9869  5.6097 1.0633   1.3286  1.0633   1.3286  1.0633   1.3286  9.9869  5.6097 9.9869  5.6097 -0.000000      0.000000 
1 1 1 14 0  55 o 21.306  4.7364 4.0701   1.3825  4.0701   1.3825  4.0701   1.3825  21.306  4.7364 21.306  4.7364 -0.000000      0.000000 
1 1 1 14 0  56 o 73.379  1.6802 42.329   1.9306  42.329   1.9306  42.329   1.9306  73.379  1.6802 73.379  1.6802 -0.000000      0.000000 
1 1 1 14 0  57 o 13.799  6.0787 2.1772   1.3790  2.1772   1.3790  2.1772   1.3790  13.799  6.0787 13.799  6.0787 -0.000000      0.000000 
1 1 1 14 0  58 o 34.303  3.2659 9.5253   1.7197  9.5253   1.7197  9.5253   1.7197  34.303  3.2659 34.303  3.2659 -0.000000      0.000000 
1 1 1 14 0  59 o 37.657  2.4982 11.303   1.4599  11.303   1.4599  11.303   1.4599  37.657  2.4982 37.657  2.4982 -0.000000      0.000000 
1 1 1 14 0  60 o 56.676  1.7916 25.306   1.5882  25.306   1.5882  25.306   1.5882  56.676  1.7916 56.676  1.7916 -0.000000      0.000000 
1 1 1 14 0  61 o 32.007  2.4683 8.2059   1.2216  8.2059   1.2216  8.2059   1.2216  32.007  2.4683 32.007  2.4683 -0.000000      0.000000 
1 1 1 14 0  62 o 140.759 1.6808 155.703  3.7078  155.703  3.7078  155.703  3.7078  140.759 1.6808 140.759 1.6808 -0.000000      0.000000 
1 1 1 14 0  63 o 4.7452  3.3612 -1.3172  1.0370  -1.3172  1.0370  -1.3172  1.0370  4.7452  3.3612 4.7452  3.3612 -0.000000      0.000000 
1 1 1 14 0  64 o 30.693  2.4441 7.5629   1.1589  7.5629   1.1589  7.5629   1.1589  30.693  2.4441 30.693  2.4441 0.000000       0.000000 
1 1 1 14 0  65 o 68.497  1.6075 36.933   1.7240  36.933   1.7240  36.933   1.7240  68.497  1.6075 68.497  1.6075 0.000000       0.000000 
1 1 1 14 0  66 o 30.402  1.9660 7.3662   0.9280  7.3662   0.9280  7.3662   0.9280  30.402  1.9660 30.402  1.9660 -0.000000      0.000000 
1 1 1 14 0  67 o 29.682  4.5214 7.5227   1.9590  7.5227   1.9590  7.5227   1.9590  29.682  4.5214 29.682  4.5214 -0.000000      0.000000 
1 1 1 14 0  68 o 48.522  2.9811 18.887   2.2480  18.887   2.2480  18.887   2.2480  48.522  2.9811 48.522  2.9811 -0.000000      0.000000 
1 1 1 14 0  69 o 5.9235  4.2206 -2.3570  1.7242  -2.3570  1.7242  -2.3570  1.7242  5.9235  4.2206 5.9235  4.2206 -0.000000      0.000000 
1 1 1 14 0  70 f 12.994  6.7452 2.1017   1.7806  2.1017   1.7806  2.1017   1.7806  12.994  6.7452 12.994  6.7452 -0.000000      0.000000 
1 1 1 14 0  71 o 43.573  3.1398 15.391   2.1192  15.391   2.1192  15.391   2.1192  43.573  3.1398 43.573  3.1398 -0.000000      0.000000 
1 1 1 14 0  72 o 14.152  6.8095 2.5159   1.7487  2.5159   1.7487  2.5159   1.7487  14.152  6.8095 14.152  6.8095 0.000000       0.000000 
1 1 1 14 0  73 o 37.176  3.5533 11.434   2.0274  11.434   2.0274  11.434   2.0274  37.176  3.5533 37.176  3.5533 -0.000000      0.000000 
1 1 1 14 0  74 o 12.672  7.0118 2.0567   2.0394  2.0567   2.0394  2.0567   2.0394  12.672  7.0118 12.672  7.0118 0.000000       0.000000 
1 1 1 14 0  75 o 8.9406  5.6400 0.4958   1.6785  0.4958   1.6785  0.4958   1.6785  8.9406  5.6400 8.9406  5.6400 -0.000000      0.000000 
1 1 1 14 0  76 o 8.7247  5.5847 0.3397   1.7175  0.3397   1.7175  0.3397   1.7175  8.7247  5.5847 8.7247  5.5847 -0.000000      0.000000 
1 1 1 14 0  77 o 10.673  6.2012 1.3532   1.7037  1.3532   1.7037  1.3532   1.7037  10.673  6.2012 10.673  6.2012 -0.000000      0.000000 
1 1 1 14 0  78 o 8.8783  5.6453 0.4711   1.7192  0.4711   1.7192  0.4711   1.7192  8.8783  5.6453 8.8783  5.6453 -0.000000      0.000000 
1 1 1 14 0  79 o 26.525  7.5764 7.5606   2.7305  7.5606   2.7305  7.5606   2.7305  26.525  7.5764 26.525  7.5764 -0.000000      0.000000 
1 1 1 14 0  80 o 12.232  8.1629 0.8677   4.2755  0.8677   4.2755  0.8677   4.2755  12.232  8.1629 12.232  8.1629 -0.000000      0.000000 
1 1 1 14 0  81 o 16.084  9.6189 4.7675   4.3115  4.7675   4.3115  4.7675   4.3115  16.084  9.6189 16.084  9.6189 -0.000000      0.000000 
1 1 1 14 1  0  o 348.735 3.1562 953.683  17.252  953.683  17.252  953.683  17.252  348.735 3.1562 348.735 3.1562 0.000000       0.000000 
1 1 1 14 1  1  o 125.179 1.2598 122.834  2.4722  118.721  3.4292  127.285  3.5673  123.062 1.7775 127.423 1.7858 -4.361404      2.519674 
1 1 1 14 1  2  o 252.135 1.7367 498.363  6.8645  491.699  9.5941  505.352  9.8257  250.429 2.4438 253.881 2.4688 -3.452347      3.473764 
1 1 1 14 1  3  o 147.414 1.3116 170.347  3.0310  171.659  4.2973  169.048  4.2757  147.976 1.8525 146.846 1.8573 1.129532       2.623238 
1 1 1 14 1  4  o 304.137 2.1889 725.187  10.436  738.430  15.008  712.786  14.523  306.870 3.1197 301.496 3.0726 5.373505       4.378745 
1 1 1 14 1  5  o 434.515 3.1151 1480.52  21.220  1462.20  28.112  1504.77  32.350  431.751 4.1534 437.943 4.7120 -6.192230      6.281247 
1 1 1 14 1  6  o 244.736 1.9629 469.561  7.5310  484.895  10.371  452.457  10.954  248.683 2.6603 240.214 2.9088 8.469330       3.941831 
1 1 1 14 1  7  o 179.822 1.6360 253.490  4.6120  249.360  6.0985  259.009  7.0490  178.343 2.1813 181.755 2.4739 -3.412170      3.298218 
1 1 1 14 1  8  o 145.539 1.6863 166.050  3.8474  174.361  5.2662  156.535  5.6346  149.129 2.2526 141.296 2.5438 7.833069       3.397788 
1 1 1 14 1  9  o 23.748  3.6200 4.5248   1.3051  5.0450   1.7588  3.8876   1.9468  24.954  4.6677 21.847  5.6442 3.106895       7.324210 
1 1 1 14 1  10 o 178.358 1.6292 249.382  4.5555  247.095  6.0572  252.361  6.9118  177.529 2.1765 179.405 2.4576 -1.876129      3.282771 
1 1 1 14 1  11 o 328.629 2.5970 846.805  13.379  878.052  17.496  802.802  20.763  334.600 3.3355 319.892 4.1403 14.70764       5.316734 
1 1 1 14 1  12 o 157.873 1.8832 195.398  4.6607  192.260  5.6386  202.164  8.2805  156.593 2.2969 160.552 3.2899 -3.959320      4.012425 
1 1 1 14 1  13 o 345.837 2.7109 937.870  14.698  942.268  18.684  930.730  23.806  346.605 3.4385 344.404 4.4093 2.200562       5.591527 
1 1 1 14 1  14 o 241.044 1.8522 455.514  6.9989  461.690  9.1439  446.777  10.876  242.656 2.4037 238.687 2.9065 3.969345       3.771701 
1 1 1 14 1  15 o 40.329  2.2855 12.794   1.4390  13.973   1.9171  11.272   2.1779  42.109  2.9222 37.722  3.7319 4.387852       4.739884 
1 1 1 14 1  16 o 152.924 1.5298 183.332  3.6675  182.086  4.8986  184.920  5.5323  152.394 2.0505 153.571 2.2980 -1.176178      3.079767 
1 1 1 14 1  17 o 475.626 3.3830 1774.53  25.225  1782.54  33.981  1764.71  37.647  476.552 4.5485 474.085 5.0655 2.467102       6.807922 
1 1 1 14 1  18 o 340.001 2.5272 906.515  13.470  911.369  18.165  900.586  20.077  340.849 3.3996 338.794 3.7802 2.054199       5.084021 
1 1 1 14 1  19 o 217.890 1.8188 372.223  6.2127  369.603  8.2778  375.603  9.4013  217.102 2.4322 218.844 2.7403 -1.742386      3.664002 
1 1 1 14 1  20 o 184.276 1.7608 266.232  5.0867  268.852  7.2404  263.679  7.1479  185.160 2.4944 183.370 2.4866 1.789627       3.522050 
1 1 1 14 1  21 o 129.189 1.5510 130.844  3.1411  131.257  4.4659  130.439  4.4189  129.380 2.2018 128.977 2.1855 0.4038544      3.102328 
1 1 1 14 1  22 o 306.076 2.3212 734.636  11.138  735.123  14.943  734.026  16.707  306.124 3.1138 305.865 3.4842 0.2587585      4.672863 
1 1 1 14 1  23 o 151.035 1.5215 178.840  3.6024  181.739  4.8860  175.386  5.3325  152.242 2.0472 149.551 2.2745 2.690857       3.060136 
1 1 1 14 1  24 o 24.367  3.0512 4.7305   1.1399  3.3900   1.5513  6.3040   1.6807  20.369  4.9147 28.069  3.9271 -7.699900      6.290950 
1 1 1 14 1  25 o 247.009 1.9803 478.413  7.6683  491.875  10.529  463.209  11.190  250.423 2.6821 243.000 2.9374 7.422531       3.977701 
1 1 1 14 1  26 o 213.300 1.7038 356.718  5.6973  365.182  8.2211  348.897  7.9026  215.786 2.4303 210.922 2.3900 4.864304       3.408561 
1 1 1 14 1  27 o 11.532  4.2569 0.8121   1.0165  1.0481   1.4107  0.5573   1.4660  13.378  4.9996 12.378  4.9631 0.9997091      7.044705 
1 1 1 14 1  28 o 186.323 1.7442 272.199  5.0947  280.713  7.3894  264.485  7.0338  189.186 2.4915 183.638 2.4433 5.547821       3.489619 
1 1 1 14 1  29 o 41.010  1.9017 13.187   1.2226  10.978   1.7028  15.539   1.7565  37.292  2.9363 44.438  2.5320 -7.145206      3.877229 
1 1 1 14 1  30 o 69.184  1.4583 37.526   1.5816  36.594   2.2138  38.497   2.2605  68.312  2.0673 70.066  2.0579 -1.754517      2.916966 
1 1 1 14 1  31 o 74.581  1.5536 43.610   1.8165  42.817   2.5568  44.418   2.5811  73.890  2.2073 75.259  2.1878 -1.369072      3.107774 
1 1 1 14 1  32 o 110.476 1.2960 95.684   2.2445  93.543   3.0062  98.380   3.3741  109.225 1.7557 112.009 1.9215 -2.784271      2.602823 
1 1 1 14 1  33 o 118.996 1.3099 111.012  2.4436  109.929  3.2963  112.334  3.6410  118.404 1.7759 119.688 1.9405 -1.284180      2.630448 
1 1 1 14 1  34 o 113.373 1.3061 100.770  2.3214  99.570   3.1129  102.273  3.4844  112.686 1.7621 114.201 1.9463 -1.515045      2.625471 
1 1 1 14 1  35 o 64.545  1.4608 32.664   1.4781  31.028   1.9740  34.752   2.2301  62.901  2.0018 66.566  2.1370 -3.665810      2.928179 
1 1 1 14 1  36 o 211.033 1.6220 349.201  5.3660  349.964  7.2749  348.290  7.9468  211.233 2.1969 210.714 2.4057 0.5192413      3.257896 
1 1 1 14 1  37 o 245.246 1.7154 471.636  6.5949  467.517  9.2260  475.939  9.4307  244.124 2.4107 246.310 2.4423 -2.186340      3.431715 
1 1 1 14 1  38 o 191.287 1.4791 286.903  4.4353  288.527  6.2814  285.288  6.2636  191.796 2.0891 190.717 2.0950 1.079880       2.958600 
1 1 1 14 1  39 o 137.992 1.3048 149.296  2.8226  147.024  3.9231  151.735  4.0641  136.920 1.8277 139.095 1.8638 -2.174988      2.610416 
1 1 1 14 1  40 o 112.897 1.2597 99.933   2.2295  98.433   3.1081  101.523  3.1999  112.032 1.7697 113.776 1.7940 -1.743904      2.519996 
1 1 1 14 1  41 f 96.985  1.2599 73.751   1.9156  73.186   2.6599  74.360   2.7611  96.600  1.7565 97.370  1.8088 -0.7700577     2.521325 
1 1 1 14 1  42 o 71.431  1.3287 40.008   1.4879  40.738   2.0920  39.262   2.1166  72.067  1.8517 70.747  1.9084 1.319145       2.659138 
1 1 1 14 1  43 o 104.135 1.2547 85.030   2.0482  83.491   2.8559  86.661   2.9392  103.170 1.7658 105.110 1.7837 -1.940010      2.509915 
1 1 1 14 1  44 o 50.878  1.5595 20.303   1.2438  20.828   1.7500  19.767   1.7682  51.517  2.1669 50.185  2.2476 1.332779       3.122033 
1 1 1 14 1  45 o 123.147 1.2631 118.924  2.4384  119.798  3.4353  118.038  3.4615  123.570 1.7734 122.657 1.8002 0.9125061      2.526984 
1 1 1 14 1  46 o 56.567  1.4438 25.099   1.2803  25.461   1.8153  24.740   1.8060  56.955  2.0331 56.142  2.0520 0.8125114      2.888621 
1 1 1 14 1  47 o 89.304  1.2081 62.547   1.6913  60.683   2.4603  64.216   2.3287  87.936  1.7847 90.467  1.6420 -2.531723      2.425185 
1 1 1 14 1  48 o 82.184  1.2262 52.975   1.5798  53.239   2.3538  52.758   2.1310  82.357  1.8232 81.995  1.6579 0.3626175      2.464227 
1 1 1 14 1  49 o 43.062  1.5589 14.551   1.0524  13.965   1.5503  15.052   1.4331  42.088  2.3592 43.777  2.0882 -1.688873      3.150608 
1 1 1 14 1  50 o 13.079  4.0685 1.3436   0.9229  2.0456   1.5423  0.9519   1.1519  16.290  5.2834 12.315  4.5340 3.974527       6.962152 
1 1 1 14 1  51 o 69.518  1.4625 37.926   1.5938  39.260   2.1615  36.337   2.3594  70.696  1.9503 67.992  2.2136 2.704033       2.950194 
1 1 1 14 1  52 o 108.276 1.3519 91.997   2.2947  93.559   3.0976  90.098   3.4161  109.143 1.8104 107.076 2.0351 2.066460       2.723792 
1 1 1 14 1  53 o 53.704  1.4792 22.639   1.2454  22.447   1.7781  22.825   1.7447  53.434  2.1227 53.886  2.0654 -0.4528542     2.961714 
1 1 1 14 1  54 o 24.514  2.6352 4.7876   0.9968  4.9676   1.3945  4.5995   1.4255  24.789  3.7017 23.783  3.9628 1.006567       5.422804 
1 1 1 14 1  55 o 71.795  1.3559 40.460   1.5261  39.739   2.1470  41.196   2.1697  71.101  1.9262 72.395  1.9118 -1.293343      2.713881 
1 1 1 14 1  56 o 73.432  1.3473 42.329   1.5510  42.997   2.1893  41.655   2.1976  73.956  1.8883 72.789  1.9259 1.167580       2.697206 
1 1 1 14 1  57 o 87.677  1.2757 60.340   1.7534  62.935   2.4634  57.676   2.4964  89.485  1.7560 85.652  1.8592 3.833633       2.557389 
1 1 1 14 1  58 f 54.631  1.5294 23.444   1.3098  23.094   1.7469  23.893   1.9797  54.175  2.0569 55.078  2.2928 -0.9035110     3.080214 
1 1 1 14 1  59 o 60.634  1.3880 28.871   1.3193  29.209   1.8093  28.488   1.9279  60.938  1.8940 60.164  2.0440 0.7737808      2.786599 
1 1 1 14 1  60 o 64.067  1.2377 32.224   1.2431  33.433   1.7324  30.942   1.7849  65.212  1.6946 62.722  1.8152 2.489693       2.483278 
1 1 1 14 1  61 o 80.014  1.2573 50.270   1.5770  49.473   1.9991  51.584   2.5662  79.332  1.6074 80.940  2.0224 -1.607681      2.583400 
1 1 1 14 1  62 f 94.357  1.2899 69.925   1.9081  69.577   2.3109  70.671   3.3822  94.077  1.5669 94.659  2.2792 -0.5825043     2.765852 
1 1 1 14 1  63 o 30.085  2.0015 7.1623   0.9386  7.1119   1.1884  7.2459   1.5301  29.888  2.5611 30.019  3.3062 -0.1306782     4.182123 
1 1 1 14 1  64 o 65.446  1.2057 33.642   1.2370  34.331   1.6539  32.767   1.8635  66.061  1.5970 64.502  1.8429 1.559883       2.438577 
1 1 1 14 1  65 o 35.299  1.5617 9.8033   0.8642  8.4842   1.1076  11.856   1.3817  32.710  2.1722 38.670  2.2895 -5.959507      3.155997 
1 1 1 14 1  66 f 87.419  1.3119 60.076   1.7979  57.898   2.8805  61.467   2.3011  85.611  2.1463 88.348  1.6615 -2.736252      2.714222 
1 1 1 14 1  67 o 47.135  1.5946 17.497   1.1783  17.347   2.0290  17.573   1.4473  46.628  2.7886 47.181  1.9568 -0.5529480     3.406643 
1 1 1 14 1  68 o 26.783  2.2885 5.7231   0.9517  7.1684   2.1120  5.3549   1.0660  29.243  4.7717 25.818  2.6726 3.425114       5.469182 
1 1 1 14 1  69 o 28.496  3.1697 6.5830   1.3920  8.6057   2.0970  4.9896   1.8612  32.241  4.2526 24.139  5.0792 8.102219       6.624451 
1 1 1 14 1  70 f 34.207  2.8116 9.4109   1.4944  8.4590   2.1864  10.245   2.0472  31.789  4.5141 35.363  3.7499 -3.574598      5.868486 
1 1 1 14 1  71 o 42.736  2.5282 14.613   1.6862  15.203   2.3415  13.976   2.4303  43.205  3.4867 41.270  3.7992 1.935780       5.156629 
1 1 1 14 1  72 o 8.9491  4.1692 -1.1668  1.4277  -3.9716  1.9180  2.3181   2.1379  8.2550  4.0767 17.130  6.1964 -8.875333      7.417174 
1 1 1 14 1  73 o 32.461  3.1645 8.5903   1.5899  8.9605   2.1702  8.1615   2.3358  32.623  4.3519 30.776  5.0141 1.847635       6.639267 
1 1 1 14 1  74 o 9.2678  4.2598 -0.8739  1.4176  -0.1945  1.9523  -1.6316  2.0618  12.054  5.3107 10.629  4.9713 1.424626       7.274398 
1 1 1 14 1  75 o 22.053  4.9584 4.2717   1.6726  3.0204   2.4527  5.3594   2.2868  18.742  6.6532 24.233  6.0408 -5.490841      8.986477 
1 1 1 14 1  76 o 34.929  2.6251 9.8504   1.4269  9.6076   1.9665  10.120   2.0736  33.986  3.7536 34.832  3.8626 -0.8462601     5.386023 
1 1 1 14 1  77 o 8.7126  3.9929 -0.7141  1.2332  0.1197   1.6941  -1.6540  1.7987  11.695  5.0521 9.6775  4.5627 2.017578       6.807510 
1 1 1 14 1  78 o 8.2050  3.8338 -1.0197  1.2215  -1.9008  1.6242  0.1275   1.8534  8.7795  4.1954 12.120  5.2600 -3.340869      6.728168 
1 1 1 14 1  79 o 30.239  3.7891 7.7187   1.7567  8.2039   3.3298  7.5316   2.0680  28.546  7.3850 29.360  4.6477 -0.8142605     8.725765 
1 1 1 14 1  80 o 14.189  5.4244 1.5052   1.6825  -0.1310  3.0896  2.1950   2.0061  14.410  6.4913 16.127  5.9747 -1.716864      8.822368 
1 1 1 14 2  0  o 10.034  6.5680 -0.3763  2.5617  -0.3763  2.5617  -0.3763  2.5617  10.034  6.5680 10.034  6.5680 -0.000000      0.000000 
1 1 1 14 2  1  o 175.681 2.8785 242.020  7.9276  225.672  13.104  251.457  9.9561  169.575 4.9295 179.053 3.5469 -9.478165      6.072949 
1 1 1 14 2  2  o 122.693 3.1563 118.053  6.0708  122.173  8.7413  114.215  8.4376  124.783 4.4685 120.651 4.4610 4.131744       6.314136 
1 1 1 14 2  3  o 167.197 2.8037 219.208  7.3488  230.179  13.172  214.250  8.8549  171.260 4.9063 165.280 3.4175 5.980042       5.979247 
1 1 1 14 2  4  o 69.813  1.8791 38.209   2.0565  36.677   2.9195  39.719   2.8974  68.391  2.7230 71.172  2.5968 -2.780930      3.762764 
1 1 1 14 2  5  o 67.242  1.8746 35.447   1.9761  36.261   2.8318  34.675   2.7589  68.003  2.6563 66.499  2.6465 1.503616       3.749642 
1 1 1 14 2  6  o 149.020 1.8514 174.098  4.3253  167.754  5.9825  181.047  6.2606  146.267 2.6091 151.951 2.6282 -5.684341      3.703335 
1 1 1 14 2  7  o 476.900 4.5542 1784.72  34.048  1786.82  44.042  1781.60  53.677  477.000 5.8898 476.082 7.1921 0.9176331      9.296003 
1 1 1 14 2  8  o 83.200  1.5530 54.266   2.0255  53.612   2.8645  54.921   2.8646  82.691  2.2097 83.695  2.1833 -1.003426      3.106336 
1 1 1 14 2  9  o 180.200 1.7513 254.571  4.9472  256.298  7.0396  252.886  6.9540  180.794 2.4838 179.587 2.4700 1.207047       3.502880 
1 1 1 14 2  10 o 486.607 3.9281 1857.70  29.965  1810.14  44.596  1896.84  40.458  480.059 5.9258 491.531 5.2505 -11.47232      7.917315 
1 1 1 14 2  11 o 194.011 1.8231 295.096  5.5449  288.198  7.7033  302.513  7.9879  191.711 2.5632 196.413 2.5942 -4.702560      3.646884 
1 1 1 14 2  12 o 277.802 2.1682 605.094  9.4427  590.466  13.878  617.704  12.885  274.373 3.2265 280.647 2.9287 -6.273560      4.357496 
1 1 1 14 2  13 o 152.573 1.4594 182.491  3.4907  175.510  4.8104  190.255  5.0732  149.616 2.0509 155.774 2.0775 -6.157623      2.919256 
1 1 1 14 2  14 o 85.045  1.3821 56.700   1.8426  59.254   2.6394  54.272   2.5736  86.934  1.9367 83.199  1.9732 3.735130       2.764806 
1 1 1 14 2  15 f 59.720  1.6025 27.960   1.5002  28.795   2.0378  26.972   2.2168  60.600  2.1451 58.649  2.4111 1.951160       3.227168 
1 1 1 14 2  16 o 220.393 1.7479 380.816  6.0390  371.959  8.3834  390.370  8.7068  217.791 2.4554 223.114 2.4893 -5.323639      3.496529 
1 1 1 14 2  17 o 216.589 1.7288 367.784  5.8701  369.757  8.3401  365.846  8.2636  217.146 2.4500 215.995 2.4405 1.151062       3.458083 
1 1 1 14 2  18 o 127.081 1.3174 126.603  2.6245  126.179  3.5454  127.116  3.9037  126.861 1.7827 127.328 1.9557 -0.4669113     2.646257 
1 1 1 14 2  19 o 327.827 2.2237 842.725  11.428  821.409  15.101  871.299  17.483  323.603 2.9767 333.254 3.3465 -9.651062      4.478846 
1 1 1 14 2  20 o 221.783 1.6810 385.640  5.8444  388.483  7.9699  382.333  8.5960  222.576 2.2841 220.798 2.4834 1.777756       3.374075 
1 1 1 14 2  21 o 92.320  1.3760 66.817   1.9914  64.638   2.7832  69.102   2.8507  90.794  1.9554 93.878  1.9370 -3.083672      2.752360 
1 1 1 14 2  22 o 429.870 2.7967 1449.45  18.847  1429.81  25.172  1474.51  28.432  426.826 3.7619 433.380 4.1848 -6.554596      5.627151 
1 1 1 14 2  23 o 62.200  1.5185 30.332   1.4807  30.266   1.8961  30.435   2.3706  62.128  1.9468 62.296  2.4274 -0.1673889     3.111654 
1 1 1 14 2  24 o 185.405 1.6769 269.514  4.8741  276.347  7.4654  264.437  6.4348  187.708 2.5370 183.631 2.2353 4.076859       3.381264 
1 1 1 14 2  25 o 198.730 1.5695 309.640  4.8896  309.203  6.6084  310.168  7.2684  198.571 2.1229 198.872 2.3314 -0.3009186     3.153083 
1 1 1 14 2  26 o 199.929 1.5761 313.389  4.9399  313.778  6.6829  312.920  7.3347  200.033 2.1311 199.750 2.3423 0.2830505      3.166709 
1 1 1 14 2  27 o 94.119  1.3116 69.447   1.9353  69.638   2.6104  69.213   2.8838  94.242  1.7669 93.950  1.9580 0.2916870      2.637351 
1 1 1 14 2  28 o 177.593 1.6369 247.285  4.5572  257.060  6.2240  235.989  6.6911  181.049 2.1929 173.459 2.4606 7.589905       3.295986 
1 1 1 14 2  29 o 134.508 1.3437 141.841  2.8334  141.061  3.8230  142.792  4.2205  134.127 1.8182 134.942 1.9951 -0.8152313     2.699301 
1 1 1 14 2  30 f 224.279 1.6879 394.400  5.9344  386.910  7.9023  404.088  8.9871  222.111 2.2695 226.972 2.5258 -4.861862      3.395604 
1 1 1 14 2  31 o 158.959 1.4878 198.110  3.7075  200.871  4.8299  194.149  5.7846  160.049 1.9250 157.333 2.3453 2.716797       3.034151 
1 1 1 14 2  32 o 134.107 1.4100 141.004  2.9644  138.447  3.8197  144.876  4.7005  132.875 1.8337 135.913 2.2061 -3.037811      2.868736 
1 1 1 14 2  33 o 145.757 1.3374 166.563  3.0559  163.481  4.2253  169.944  4.4250  144.387 1.8667 147.211 1.9174 -2.824615      2.676028 
1 1 1 14 2  34 o 222.607 1.6169 388.552  5.6425  392.591  8.0081  384.569  7.9516  223.723 2.2833 221.425 2.2907 2.298187       3.234341 
1 1 1 14 2  35 o 51.383  1.5923 20.702   1.2826  18.626   1.7337  23.211   1.9063  48.730  2.2695 54.398  2.2354 -5.667526      3.185515 
1 1 1 14 2  36 o 136.673 1.3097 146.452  2.8062  143.206  3.8662  150.067  4.0795  135.134 1.8250 138.331 1.8812 -3.197205      2.620995 
1 1 1 14 2  37 o 72.125  1.3767 40.787   1.5567  41.648   2.1893  39.906   2.2138  72.872  1.9164 71.330  1.9797 1.541908       2.755357 
1 1 1 14 2  38 f 41.251  1.8528 13.346   1.1982  12.883   1.6408  13.874   1.7538  40.435  2.6023 41.962  2.6800 -1.527088      3.735563 
1 1 1 14 2  39 o 152.749 1.3534 182.948  3.2409  180.185  4.5008  185.923  4.6707  151.568 1.8942 153.960 1.9352 -2.392349      2.707925 
1 1 1 14 2  40 o 127.410 1.2934 127.283  2.5833  127.422  3.6214  127.140  3.6862  127.459 1.8124 127.316 1.8469 0.1426392      2.587641 
1 1 1 14 2  41 o 269.048 1.8375 567.806  7.7501  565.937  10.889  569.724  11.033  268.509 2.5868 269.402 2.6125 -0.8930664     3.676477 
1 1 1 14 2  42 o 232.551 1.6640 424.178  6.0662  422.487  8.5053  425.929  8.6544  232.012 2.3384 232.952 2.3698 -0.9391327     3.329316 
1 1 1 14 2  43 o 14.180  4.2960 1.5918   1.0374  -0.2191  1.4972  3.2642   1.4388  10.930  4.7355 19.952  4.6808 -9.021533      6.658446 
1 1 1 14 2  44 o 70.215  1.4050 38.667   1.5465  39.246   2.2665  38.163   2.1154  70.715  2.0445 69.737  1.9350 0.9782715      2.815008 
1 1 1 14 2  45 o 43.173  1.7692 14.625   1.1974  13.093   1.7216  16.062   1.6666  40.729  2.7118 45.163  2.3621 -4.434071      3.596315 
1 1 1 14 2  46 o 23.152  2.7983 4.2749   0.9950  3.2648   1.3710  5.3992   1.4464  19.942  4.4932 25.927  3.6604 -5.985363      5.795411 
1 1 1 14 2  47 o 142.645 1.3179 159.610  2.9471  162.540  4.1706  156.688  4.1651  143.896 1.8488 141.279 1.8806 2.617676       2.637167 
1 1 1 14 2  48 o 71.450  1.3009 40.047   1.4571  40.016   2.0505  40.079   2.0710  71.393  1.8321 71.449  1.8490 -0.5529785E-01 2.602968 
1 1 1 14 2  49 o 32.226  2.3201 8.2052   1.1642  7.8754   1.5912  8.5852   1.7080  31.441  3.2763 32.828  3.3665 -1.387012      4.697659 
1 1 1 14 2  50 o 82.652  1.3483 53.602   1.7469  52.697   2.6537  54.294   2.3207  81.893  2.0671 83.151  1.7803 -1.257965      2.728061 
1 1 1 14 2  51 o 26.610  2.3671 5.6132   0.9771  6.1794   1.4328  5.1208   1.3360  27.782  3.3579 25.234  3.4690 2.547764       4.828024 
1 1 1 14 2  52 o 41.805  1.7878 13.728   1.1717  13.463   1.6119  14.026   1.7061  41.281  2.5025 42.126  2.5961 -0.8454628     3.605853 
1 1 1 14 2  53 o 77.750  1.3722 47.448   1.6725  48.350   2.2744  46.387   2.4680  78.441  1.8495 76.811  2.0496 1.630081       2.760732 
1 1 1 14 2  54 o 45.200  1.5907 16.046   1.1271  16.461   1.6276  15.664   1.5624  45.734  2.2702 44.560  2.2438 1.174572       3.191927 
1 1 1 14 2  55 o 72.129  1.2586 40.834   1.4232  37.270   2.0799  43.971   1.9515  68.849  1.9270 74.812  1.6640 -5.962975      2.546024 
1 1 1 14 2  56 o 36.858  1.8416 10.680   1.0641  10.707   1.6938  10.662   1.3676  36.701  2.9694 36.713  2.3893 -0.1223755E-01 3.811290 
1 1 1 14 2  57 o 96.986  1.3433 73.854   2.0424  75.745   2.7763  71.624   3.0151  98.154  1.8043 95.411  2.0158 2.743034       2.705355 
1 1 1 14 2  58 o 76.458  1.4665 45.918   1.7577  44.671   2.2276  47.977   2.8614  75.360  1.8855 78.026  2.3393 -2.665840      3.004574 
1 1 1 14 2  59 o 76.953  1.5862 46.539   1.9135  45.110   2.5622  48.341   2.8773  75.678  2.1597 78.307  2.3439 -2.629135      3.187171 
1 1 1 14 2  60 o 17.287  3.9146 2.4745   1.0362  2.4993   1.2996  2.4312   1.7168  17.351  4.6734 17.437  5.5660 -0.8620834E-01 7.267763 
1 1 1 14 2  61 o 40.920  1.8140 13.177   1.1637  15.512   1.4511  8.9690   1.9477  44.371  2.0862 33.336  3.7947 11.03497       4.330359 
1 1 1 14 2  62 o 36.764  1.9827 10.679   1.1385  9.5369   1.4101  12.817   1.9296  34.631  2.6166 40.074  3.0955 -5.442387      4.053264 
1 1 1 14 2  63 o 49.905  1.5708 19.590   1.2289  19.515   1.5001  19.741   2.1428  49.767  1.9227 49.845  2.7529 -0.7807541E-01 3.357859 
1 1 1 14 2  64 o 32.456  1.9960 8.3382   1.0106  8.4512   1.2454  8.1202   1.7294  32.595  2.4553 31.696  3.5411 0.8989258      4.309079 
1 1 1 14 2  65 o 19.721  3.0671 3.1665   0.9174  3.0106   1.0313  3.7580   2.0085  19.101  3.5756 20.969  5.8750 -1.868334      6.877578 
1 1 1 14 2  66 o 13.213  4.7542 1.2325   1.2564  2.0316   1.7888  0.4545   1.7651  16.305  5.6908 12.824  5.3283 3.480751       7.795894 
1 1 1 14 2  67 o 98.461  1.4995 76.337   2.3146  73.409   3.2398  79.389   3.3080  96.325  2.1455 100.188 2.1062 -3.863419      3.006483 
1 1 1 14 2  68 o 36.646  2.1135 10.666   1.2091  9.9912   2.0404  11.031   1.5009  34.963  3.7830 37.149  2.5936 -2.186287      4.586710 
1 1 1 14 2  69 o 27.398  2.6247 6.0358   1.1135  5.2797   1.9651  6.3934   1.3515  24.728  5.2325 28.063  3.1251 -3.335253      6.094684 
1 1 1 14 2  70 o 48.712  1.6620 18.738   1.2692  18.556   2.2678  18.822   1.5315  47.974  3.0309 48.738  2.0045 -0.7637253     3.633800 
1 1 1 14 2  71 o 11.303  4.7110 0.3627   1.3860  -0.4791  1.7649  1.7167   2.2385  11.120  4.9653 16.052  6.2250 -4.931795      7.962770 
1 1 1 14 2  72 o 22.008  4.2999 4.1326   1.4303  3.2597   1.8641  5.3823   2.2305  19.193  5.7460 24.477  5.8851 -5.284447      8.225042 
1 1 1 14 2  73 o 20.837  4.4900 3.7493   1.4235  2.8110   1.8480  5.1180   2.2321  17.952  5.7794 23.746  5.9952 -5.793673      8.327314 
1 1 1 14 2  74 o 41.335  2.6396 13.766   1.7015  12.938   2.1898  15.028   2.7031  39.629  3.5630 42.397  4.1190 -2.767605      5.446194 
1 1 1 14 2  75 f 11.679  4.8188 0.5210   1.4293  0.6731   1.8388  0.2890   2.2717  13.095  5.4396 13.548  5.8515 -0.4528065     7.989315 
1 1 1 14 2  76 o 18.613  4.9451 3.0714   1.4674  2.1675   1.9014  4.4027   2.3076  16.270  5.8492 21.724  6.3656 -5.454012      8.644898 
1 1 1 14 2  77 o 9.7087  4.2577 -0.1285  1.2419  -0.0567  1.6746  -0.2163  1.8514  11.310  4.9524 11.601  5.1382 -0.2905455     7.136377 
1 1 1 14 2  78 o 15.477  5.1630 2.0677   1.4689  0.0139   2.2181  3.6718   1.9603  12.849  5.6610 19.863  5.8803 -7.013162      8.162422 
1 1 1 14 2  79 o 35.066  3.2905 10.216   1.7876  4.8831   3.3443  12.349   2.1152  21.782  7.7650 38.403  3.5537 -16.62135      8.539579 
1 1 1 14 3  0  o 173.350 2.7792 235.779  7.5482  235.779  7.5482  235.779  7.5482  173.350 2.7792 173.350 2.7792 0.000000       0.000000 
1 1 1 14 3  1  o 231.258 2.1472 419.315  7.7844  412.322  10.174  429.191  12.090  229.297 2.8303 233.920 3.2970 -4.622726      4.345154 
1 1 1 14 3  2  o 270.644 2.2482 574.326  9.5387  583.540  13.666  565.574  13.320  272.763 3.1960 268.533 3.1641 4.230011       4.497349 
1 1 1 14 3  3  f 233.883 2.1717 428.892  7.9626  435.311  10.668  420.817  11.965  235.599 2.8883 231.626 3.2951 3.973740       4.381821 
1 1 1 14 3  4  o 149.314 1.7303 174.785  4.0502  174.982  5.3580  174.523  6.1867  149.387 2.2879 149.182 2.6454 0.2047119      3.497504 
1 1 1 14 3  5  o 149.518 1.8718 175.271  4.3873  178.378  6.2764  172.303  6.1352  150.820 2.6546 148.230 2.6402 2.590302       3.743984 
1 1 1 14 3  6  o 171.180 1.8344 229.734  4.9228  233.417  6.6142  225.160  7.3709  172.532 2.4454 169.443 2.7749 3.088867       3.698642 
1 1 1 14 3  7  o 182.555 1.8978 261.287  5.4313  267.402  7.3104  253.754  8.1142  184.662 2.5253 179.877 2.8775 4.785583       3.828471 
1 1 1 14 3  8  o 85.945  1.5738 57.908   2.1204  57.423   3.0281  58.374   2.9702  85.577  2.2571 86.284  2.1959 -0.7068100     3.149057 
1 1 1 14 3  9  o 222.407 1.8655 387.815  6.5043  381.737  8.6399  395.766  9.8818  220.636 2.4979 224.640 2.8060 -4.004700      3.756783 
1 1 1 14 3  10 o 84.195  1.4265 55.573   1.8829  59.131   2.7595  52.473   2.5756  86.842  2.0269 81.808  2.0083 5.034210       2.853375 
1 1 1 14 3  11 o 157.498 1.6827 194.475  4.1548  191.816  5.8697  197.146  5.8818  156.401 2.3940 158.560 2.3663 -2.159058      3.366062 
1 1 1 14 3  12 o 119.433 1.4760 111.825  2.7635  114.523  4.2685  109.878  3.6260  120.853 2.2530 118.382 1.9538 2.470985       2.982213 
1 1 1 14 3  13 o 49.418  1.7466 19.147   1.3531  20.071   1.9567  18.299   1.8732  50.592  2.4671 48.243  2.4853 2.349319       3.501899 
1 1 1 14 3  14 o 339.865 2.5359 905.822  13.511  909.604  20.349  902.841  18.069  340.471 3.8125 339.241 3.3975 1.230530       5.106689 
1 1 1 14 3  15 o 91.817  1.4618 66.092   2.1041  64.727   2.8183  67.810   3.1626  90.858  1.9787 92.994  2.1694 -2.136124      2.936233 
1 1 1 14 3  16 o 89.627  1.3890 62.976   1.9517  64.102   2.8063  61.921   2.7161  90.418  1.9798 88.866  1.9496 1.551315       2.778637 
1 1 1 14 3  17 o 128.923 1.3984 130.305  2.8264  134.361  4.0714  126.532  3.9266  130.904 1.9840 127.033 1.9717 3.871071       2.797153 
1 1 1 14 3  18 o 70.854  1.4643 39.359   1.6265  38.619   2.2957  40.104   2.3048  70.179  2.0867 71.516  2.0558 -1.336815      2.929247 
1 1 1 14 3  19 o 102.080 1.3855 81.692   2.2171  80.224   3.1305  83.169   3.1404  101.149 1.9742 102.990 1.9451 -1.840851      2.771461 
1 1 1 14 3  20 o 292.317 2.2570 670.101  10.343  675.947  15.659  665.576  13.775  293.500 3.4033 291.274 3.0167 2.226379       4.547842 
1 1 1 14 3  21 o 211.277 1.7207 349.986  5.6990  351.944  8.0995  348.065  8.0204  211.837 2.4389 210.667 2.4286 1.170197       3.441841 
1 1 1 14 3  22 o 284.984 2.0991 636.873  9.3779  642.216  13.368  631.695  13.159  286.115 2.9803 283.763 2.9582 2.351410       4.199189 
1 1 1 14 3  23 o 125.388 1.4900 123.263  2.9288  129.883  4.0602  116.083  4.2288  128.699 2.0124 121.665 2.2171 7.034187       2.994246 
1 1 1 14 3  24 o 254.065 1.9326 506.148  7.6974  503.693  10.837  508.648  10.935  253.400 2.7281 254.643 2.7392 -1.242645      3.865976 
1 1 1 14 3  25 o 204.089 1.6891 326.583  5.4041  316.205  7.4618  338.030  7.8371  200.792 2.3705 207.604 2.4080 -6.812042      3.379060 
1 1 1 14 3  26 o 85.768  1.3734 57.671   1.8466  55.928   2.6992  59.204   2.5317  84.452  2.0388 86.893  1.8586 -2.441132      2.758771 
1 1 1 14 3  27 o 213.580 1.6583 357.665  5.5523  353.907  8.1539  360.914  7.5817  212.418 2.4486 214.521 2.2545 -2.103241      3.328409 
1 1 1 14 3  28 o 266.342 2.0070 556.288  8.3799  548.571  13.003  561.769  10.959  264.401 3.1372 267.609 2.6123 -3.207245      4.082406 
1 1 1 14 3  29 o 60.649  1.6486 28.841   1.5674  29.730   2.1959  27.917   2.2380  61.568  2.2751 59.659  2.3929 1.909061       3.301841 
1 1 1 14 3  30 o 144.449 1.4140 163.589  3.2020  159.972  4.6602  166.824  4.4070  142.822 2.0814 145.855 1.9274 -3.032013      2.836723 
1 1 1 14 3  31 o 198.966 1.6849 310.411  5.2553  309.910  7.3822  310.924  7.4831  198.771 2.3691 199.094 2.3976 -0.3231506     3.370594 
1 1 1 14 3  32 o 66.186  1.5936 34.348   1.6535  33.261   2.5099  35.182   2.1979  65.115  2.4588 66.977  2.0933 -1.861778      3.229181 
1 1 1 14 3  33 o 171.245 1.4939 229.928  4.0105  236.380  6.0278  224.803  5.3722  173.599 2.2149 169.303 2.0241 4.295120       3.000472 
1 1 1 14 3  34 o 291.151 2.0436 664.849  9.3274  660.211  13.709  668.848  12.728  290.029 3.0151 291.949 2.7809 -1.919922      4.101765 
1 1 1 14 3  35 o 65.011  1.5288 33.141   1.5581  32.579   2.2572  33.651   2.1533  64.445  2.2342 65.500  2.0971 -1.054626      3.064209 
1 1 1 14 3  36 o 27.281  2.9089 5.9082   1.2249  2.9494   1.7374  8.8322   1.7272  19.139  5.4993 33.371  3.3466 -14.23181      6.437516 
1 1 1 14 3  37 o 80.496  1.4154 50.807   1.7861  49.923   2.5931  51.605   2.4637  79.776  2.0734 81.113  1.9375 -1.336220      2.837766 
1 1 1 14 3  38 o 49.444  1.7348 19.173   1.3446  18.610   1.9522  19.682   1.8548  48.627  2.5700 50.084  2.3623 -1.456486      3.490759 
1 1 1 14 3  39 o 119.715 1.4298 112.383  2.6833  117.123  4.3159  109.397  3.4259  122.174 2.2534 118.096 1.8505 4.077766       2.915844 
1 1 1 14 3  40 o 56.843  1.6302 25.342   1.4527  25.979   2.1390  24.797   1.9792  57.533  2.3715 56.213  2.2459 1.320000       3.266229 
1 1 1 14 3  41 o 183.366 1.5359 263.707  4.4152  253.158  6.3244  273.737  6.1666  179.599 2.2463 186.771 2.1061 -7.171844      3.079203 
1 1 1 14 3  42 o 129.453 1.3692 131.425  2.7786  132.397  4.1121  130.609  3.7692  129.889 2.0195 129.020 1.8635 0.8691254      2.747907 
1 1 1 14 3  43 o 114.245 1.3368 102.365  2.3941  101.783  3.5165  102.867  3.2687  113.882 1.9697 114.497 1.8210 -0.6152420     2.682522 
1 1 1 14 3  44 o 126.847 1.3540 126.203  2.6925  128.868  4.0405  124.075  3.6112  128.128 2.0116 125.738 1.8320 2.389862       2.720800 
1 1 1 14 3  45 o 60.512  1.4166 28.725   1.3438  28.970   1.8734  28.466   1.9287  60.746  1.9672 60.213  2.0433 0.5336113      2.836358 
1 1 1 14 3  46 o 48.279  1.5672 18.290   1.1861  18.175   1.6510  18.414   1.7052  48.101  2.1895 48.414  2.2468 -0.3122101     3.137165 
1 1 1 14 3  47 o 40.341  1.7501 12.776   1.1068  11.385   1.5218  14.337   1.6126  37.963  2.5722 42.637  2.4225 -4.674591      3.533407 
1 1 1 14 3  48 f 116.495 1.3375 106.478  2.4425  108.361  3.6560  104.961  3.2826  117.451 1.9856 115.615 1.8111 1.836159       2.687555 
1 1 1 14 3  49 o 73.474  1.3899 42.364   1.6009  42.155   2.3811  42.536   2.1627  73.242  2.0738 73.589  1.8747 -0.3472595     2.795497 
1 1 1 14 3  50 o 87.557  1.3373 60.160   1.8356  63.296   2.7646  57.688   2.4548  89.750  1.9649 85.697  1.8272 4.053543       2.683228 
1 1 1 14 3  51 o 69.172  1.3960 37.556   1.5138  36.853   2.2494  38.138   2.0466  68.464  2.0958 69.668  1.8739 -1.204422      2.811389 
1 1 1 14 3  52 f 54.335  1.5405 23.182   1.3121  21.994   1.9439  24.176   1.7785  52.863  2.3456 55.451  2.0459 -2.587990      3.112510 
1 1 1 14 3  53 o 8.5293  3.7168 -0.1715  0.9332  1.2386   1.4559  -1.1550  1.2159  13.869  5.0986 8.2086  3.8320 5.660400       6.378070 
1 1 1 14 3  54 o 54.536  1.5821 23.362   1.3526  23.845   1.8328  22.784   2.0043  55.050  2.1238 53.786  2.3771 1.264297       3.187613 
1 1 1 14 3  55 o 59.412  1.5907 27.730   1.4815  29.367   2.1628  26.283   2.0336  61.070  2.2591 57.776  2.2452 3.293659       3.185067 
1 1 1 14 3  56 o 31.844  2.1634 8.0199   1.0736  10.951   1.8437  6.5163   1.3206  37.063  3.2047 28.559  2.9941 8.503817       4.385738 
1 1 1 14 3  57 o 65.585  1.3764 33.779   1.4151  35.130   2.2227  32.858   1.8351  66.796  2.1226 64.640  1.8110 2.156540       2.790198 
1 1 1 14 3  58 o 43.960  1.9531 15.209   1.3460  14.593   1.7318  16.150   2.1391  42.919  2.5860 45.069  3.0454 -2.150505      3.995241 
1 1 1 14 3  59 o 34.322  2.1914 9.3211   1.1729  9.5116   1.5943  9.0964   1.7317  34.538  2.9735 33.699  3.3212 0.8394203      4.457860 
1 1 1 14 3  60 o 9.3335  4.0432 -0.1262  1.0911  -1.4845  1.5255  1.2969   1.5614  9.0995  4.2622 14.193  5.2685 -5.093547      6.776713 
1 1 1 14 3  61 o 41.411  1.9973 13.512   1.2966  13.850   1.6025  12.872   2.2064  41.799  2.4564 40.043  3.5517 1.755905       4.318385 
1 1 1 14 3  62 o 40.299  1.8969 12.795   1.1983  13.179   1.4309  11.893   2.1927  40.797  2.2460 38.414  3.6864 2.382591       4.316772 
1 1 1 14 3  63 o 75.658  1.4438 45.014   1.7125  44.097   2.0180  47.372   3.2369  74.833  1.7202 77.312  2.6708 -2.478889      3.176787 
1 1 1 14 3  64 o 32.848  2.1031 8.5551   1.0773  8.3952   1.2616  8.9856   2.0700  32.461  2.4984 33.167  4.0664 -0.7060509     4.772545 
1 1 1 14 3  65 o 19.984  3.1297 3.2596   0.9483  2.5820   1.1505  4.6953   1.6748  17.521  4.2355 23.621  4.6882 -6.100002      6.318134 
1 1 1 14 3  66 o 35.661  1.6364 10.023   0.9148  10.926   1.0849  7.7997   1.7017  37.204  1.8602 30.954  3.5724 6.249846       4.027676 
1 1 1 14 3  67 o 61.497  1.6768 29.831   1.6165  30.675   2.3805  29.109   2.2021  62.141  2.4436 60.574  2.3190 1.566803       3.368824 
1 1 1 14 3  68 o 55.958  1.7783 24.736   1.5599  25.096   2.2373  24.396   2.1761  56.135  2.5424 55.359  2.5074 0.7760849      3.570861 
1 1 1 14 3  69 o 30.308  2.9300 7.4311   1.3747  7.5402   1.8421  7.2939   2.0653  30.141  3.9972 29.363  4.6410 0.7779884      6.125077 
1 1 1 14 3  70 o 45.371  1.7681 16.284   1.2576  17.470   2.0834  15.604   1.5774  46.568  2.8678 44.223  2.2831 2.344894       3.665641 
1 1 1 14 3  71 o 21.332  3.2407 3.7591   1.0497  5.0448   1.7653  3.0559   1.3055  24.141  4.8332 18.807  4.4900 5.333271       6.596972 
1 1 1 14 3  72 o 33.379  2.1721 8.9060   1.1304  11.126   1.9471  7.7772   1.3883  36.830  3.4110 30.946  2.8954 5.883654       4.474172 
1 1 1 14 3  73 o 43.400  2.0702 14.985   1.4085  13.585   2.0942  16.141   1.9033  40.742  3.3074 44.725  2.7276 -3.983456      4.287072 
1 1 1 14 3  74 o 49.751  2.2874 19.770   1.7840  20.106   2.1858  19.099   3.0877  49.866  2.8076 47.732  4.1681 2.133949       5.025512 
1 1 1 14 3  75 o 27.836  3.8609 6.5163   1.6394  6.0239   2.0159  7.4781   2.8175  26.112  5.1075 28.265  6.4949 -2.152987      8.262556 
1 1 1 14 3  76 o 23.310  4.5673 4.7425   1.6093  7.5406   2.0204  -0.1147  2.6619  29.575  4.4995 13.810  6.1367 15.76474       7.609538 
1 1 1 14 3  77 o 13.439  4.9288 1.3785   1.3595  1.8866   1.8346  0.7598   2.0245  15.393  5.7115 13.522  5.6693 1.871037       8.047485 
1 1 1 14 3  78 o 9.4903  4.3059 -0.5485  1.3884  -1.7951  2.1883  0.2914   1.7963  10.638  5.0209 12.107  5.2162 -1.468758      7.240029 
1 1 1 14 3  79 o 41.431  2.9592 14.142   1.9093  15.075   3.9592  13.859   2.1795  39.251  6.6732 40.661  3.4518 -1.410122      7.513102 
1 1 1 14 4  0  o 171.526 2.1988 230.765  5.9103  230.765  5.9103  230.765  5.9103  171.526 2.1988 171.526 2.1988 -0.000000      0.000000 
1 1 1 14 4  1  o 277.981 2.0634 605.892  8.9920  603.767  12.683  608.039  12.750  277.449 2.9161 278.428 2.9211 -0.9795837     4.127510 
1 1 1 14 4  2  o 255.370 1.9419 511.315  7.7741  504.223  10.847  518.805  11.148  253.557 2.7289 257.196 2.7648 -3.638428      3.884707 
1 1 1 14 4  3  o 64.297  1.5497 32.411   1.5620  36.123   2.2891  29.176   2.1369  67.874  2.1513 60.998  2.2347 6.875751       3.101932 
1 1 1 14 4  4  o 133.904 1.4199 140.563  2.9807  142.266  4.2469  138.911  4.1844  134.702 2.0111 133.105 2.0053 1.597412       2.840075 
1 1 1 14 4  5  o 180.628 1.5859 255.783  4.4907  253.266  6.3031  258.378  6.3997  179.721 2.2372 181.525 2.2489 -1.804306      3.172137 
1 1 1 14 4  6  o 316.227 2.2795 784.125  11.300  800.373  16.313  769.134  15.669  319.424 3.2576 313.133 3.1920 6.290863       4.560825 
1 1 1 14 4  7  o 254.722 2.0406 508.731  8.1485  508.096  12.190  509.244  10.956  254.514 3.0552 254.819 2.7426 -0.3043671     4.105626 
1 1 1 14 4  8  o 274.744 2.1532 591.875  9.2739  605.087  14.145  581.914  12.282  277.733 3.2488 272.386 2.8763 5.347015       4.339105 
1 1 1 14 4  9  o 9.8883  4.2457 -0.0974  1.1824  0.9350   1.6718  -1.1305  1.6724  13.861  5.3786 10.252  4.6802 3.608892       7.129765 
1 1 1 14 4  10 o 154.797 1.7688 187.872  4.2924  190.103  5.7079  184.968  6.5121  155.698 2.3385 153.569 2.7050 2.129013       3.575670 
1 1 1 14 4  11 o 424.509 3.4799 1413.98  23.158  1409.38  30.530  1420.21  35.539  423.657 4.5969 425.149 5.3322 -1.492523      7.040152 
1 1 1 14 4  12 o 197.893 1.8492 307.053  5.7367  316.507  7.4260  293.060  9.0341  200.898 2.3579 193.285 2.9815 7.612488       3.801165 
1 1 1 14 4  13 o 109.204 1.4601 93.493   2.4997  94.660   3.0828  91.254   4.2711  109.878 1.7897 107.867 2.5258 2.010246       3.095545 
1 1 1 14 4  14 o 123.557 1.5042 119.688  2.9136  117.226  3.5460  124.805  5.1119  122.273 1.8499 126.146 2.5850 -3.872025      3.178727 
1 1 1 14 4  15 o 119.360 1.4908 111.695  2.7895  109.492  3.3848  116.358  4.9246  118.171 1.8271 121.801 2.5791 -3.629753      3.160716 
1 1 1 14 4  16 o 251.693 2.0390 496.748  8.0452  506.703  10.013  478.614  13.514  254.176 2.5129 246.962 3.4906 7.214462       4.301028 
1 1 1 14 4  17 o 229.429 1.7483 412.714  6.2881  402.975  8.2983  425.848  9.6363  226.680 2.3352 233.007 2.6381 -6.327438      3.523155 
1 1 1 14 4  18 o 218.066 1.6156 372.829  5.5230  374.233  7.8304  371.440  7.7910  218.448 2.2866 217.631 2.2836 0.8165436      3.231589 
1 1 1 14 4  19 o 145.089 1.4179 165.037  3.2251  167.839  4.8599  162.831  4.3113  146.298 2.1190 144.105 1.9084 2.193039       2.851734 
1 1 1 14 4  20 o 222.473 1.7086 388.068  5.9590  389.510  8.8710  386.882  8.0442  222.846 2.5393 222.106 2.3103 0.7404785      3.433001 
1 1 1 14 4  21 o 42.216  1.8871 13.974   1.2489  14.204   1.7570  13.740   1.7755  42.471  2.6522 41.763  2.7269 0.7074738      3.803987 
1 1 1 14 4  22 o 149.952 1.3111 176.280  3.0820  177.029  4.1953  175.403  4.5426  150.258 1.7810 149.562 1.9374 0.6963043      2.631675 
1 1 1 14 4  23 o 57.881  1.4610 26.267   1.3257  27.992   1.8169  24.302   1.9387  59.747  1.9399 55.667  2.2216 4.079727       2.949301 
1 1 1 14 4  24 o 81.595  1.3518 52.196   1.7291  55.192   2.2790  48.133   2.6544  83.898  1.7328 78.342  2.1613 5.556290       2.770155 
1 1 1 14 4  25 o 74.087  1.3343 43.032   1.5497  43.101   2.0740  42.945   2.3319  74.140  1.7844 74.002  2.0101 0.1376877      2.687858 
1 1 1 14 4  26 o 152.207 1.3169 181.628  3.1422  179.518  4.2334  184.215  4.6888  151.308 1.7847 153.269 1.9514 -1.961060      2.644487 
1 1 1 14 4  27 o 191.797 1.5094 288.420  4.5384  287.131  6.3608  289.757  6.4773  191.342 2.1205 192.214 2.1496 -0.8714447     3.019514 
1 1 1 14 4  28 o 126.688 1.3229 125.832  2.6273  126.570  3.6850  125.070  3.7469  127.046 1.8502 126.290 1.8926 0.7561264      2.646735 
1 1 1 14 4  29 o 113.454 1.3074 100.916  2.3253  101.348  3.0425  100.308  3.6056  113.688 1.7071 113.094 2.0337 0.5939255      2.655184 
1 1 1 14 4  30 o 173.808 1.3927 236.853  3.7948  238.148  5.1595  235.327  5.6010  174.264 1.8886 173.221 2.0626 1.043045       2.796632 
1 1 1 14 4  31 o 134.291 1.4006 141.397  2.9486  144.777  3.7567  135.973  4.7586  135.876 1.7636 131.659 2.3055 4.216599       2.902761 
1 1 1 14 4  32 o 308.372 1.9670 745.801  9.5091  737.316  12.786  756.301  14.224  306.540 2.6608 310.428 2.9228 -3.887756      3.952576 
1 1 1 14 4  33 o 109.299 1.2234 93.660   2.0962  93.916   2.7509  93.306   3.2371  109.439 1.6034 109.074 1.8931 0.3646698      2.480907 
1 1 1 14 4  34 o 98.067  1.2422 75.402   1.9098  74.227   2.4866  77.091   2.9821  97.291  1.6303 99.142  1.9187 -1.850708      2.517827 
1 1 1 14 4  35 o 138.282 1.2965 149.928  2.8106  151.828  3.8334  147.720  4.1330  139.138 1.7575 137.235 1.9211 1.902771       2.603694 
1 1 1 14 4  36 o 178.197 1.4065 248.995  3.9292  243.977  5.2496  255.387  5.9248  176.365 1.8987 180.428 2.0947 -4.063232      2.827162 
1 1 1 14 4  37 o 56.422  1.5394 24.965   1.3616  23.554   1.8176  26.769   2.0553  54.792  2.1161 58.409  2.2447 -3.616436      3.084847 
1 1 1 14 4  38 o 33.813  2.1634 9.0078   1.1408  11.005   1.5665  6.7524   1.6645  37.343  2.6940 29.067  3.7396 8.275829       4.608883 
1 1 1 14 4  39 o 82.699  1.3071 53.631   1.6946  53.350   2.2856  53.973   2.5255  82.468  1.7679 82.942  1.9423 -0.4735107     2.626414 
1 1 1 14 4  40 o 184.530 1.4864 267.069  4.2999  270.754  6.1233  263.483  6.0396  185.741 2.1029 183.230 2.1026 2.511108       2.973761 
1 1 1 14 4  41 o 124.676 1.3775 121.912  2.6924  119.049  3.9214  124.466  3.7031  123.161 2.0310 125.943 1.8756 -2.782486      2.764580 
1 1 1 14 4  42 o 88.592  1.3688 61.560   1.9010  62.794   2.8044  60.510   2.5858  89.443  2.0000 87.808  1.8785 1.634315       2.743866 
1 1 1 14 4  43 o 103.627 1.3473 84.232   2.1887  85.905   3.2545  82.850   2.9573  104.608 1.9846 102.742 1.8361 1.865570       2.703647 
1 1 1 14 4  44 o 93.500  1.3566 68.580   1.9885  66.074   2.8982  70.809   2.7335  91.732  2.0153 94.976  1.8359 -3.243752      2.726192 
1 1 1 14 4  45 o 58.310  1.5287 26.681   1.3974  26.459   2.0666  26.868   1.8968  58.028  2.2718 58.487  2.0687 -0.4588432     3.072584 
1 1 1 14 4  46 o 14.177  4.4036 1.5831   1.0816  1.2385   1.7562  1.7937   1.3729  14.674  5.5580 15.297  4.9861 -0.6230650     7.466807 
1 1 1 14 4  47 o 79.571  1.4497 49.689   1.8083  49.320   2.8943  49.925   2.3161  79.199  2.3311 79.729  1.8530 -0.5299530     2.977890 
1 1 1 14 4  48 o 77.667  1.4646 47.345   1.7833  48.393   2.8440  46.666   2.2892  78.443  2.3127 77.073  1.8946 1.369720       2.989726 
1 1 1 14 4  49 o 52.592  1.8870 21.732   1.5557  23.057   2.6264  21.015   1.9309  53.972  3.1174 51.681  2.3833 2.291405       3.924098 
1 1 1 14 4  50 o 52.312  1.8389 21.503   1.5081  21.403   2.5072  21.559   1.8877  51.985  3.0904 52.345  2.3004 -0.3597183     3.852606 
1 1 1 14 4  51 o 88.690  1.6898 61.792   2.3495  62.693   3.6250  61.138   3.0852  89.202  2.5923 88.147  2.2327 1.054176       3.421218 
1 1 1 14 4  52 o 26.967  2.9418 5.8076   1.2235  5.4007   2.0459  6.0340   1.5266  25.508  5.2897 27.362  3.6499 -1.853998      6.426732 
1 1 1 14 4  53 o 92.371  1.6280 67.035   2.3574  66.237   3.7362  67.563   3.0386  91.655  2.6003 92.665  2.0918 -1.009415      3.337176 
1 1 1 14 4  54 o 53.213  1.6747 22.253   1.3970  21.759   1.9624  22.760   1.9893  52.550  2.3821 53.747  2.3610 -1.196690      3.353875 
1 1 1 14 4  55 f 80.013  1.4588 50.286   1.8298  48.987   2.5523  51.659   2.6246  78.892  2.0637 81.014  2.0666 -2.122360      2.920549 
1 1 1 14 4  56 o 10.867  4.4218 0.3870   1.1827  1.6119   1.5349  -1.4033  1.8556  14.978  5.2689 10.488  4.8400 4.489701       7.154481 
1 1 1 14 4  57 o 13.927  4.6207 1.4851   1.1771  0.3320   1.6121  2.8022   1.7228  12.245  5.0902 18.469  5.5229 -6.224908      7.510822 
1 1 1 14 4  58 f 7.2136  3.3459 -0.7714  0.9037  -0.2044  1.4117  -1.1650  1.1764  10.515  4.5771 7.9882  3.7421 2.527237       5.912136 
1 1 1 14 4  59 o 76.399  1.3448 45.855   1.6106  44.161   2.4372  47.168   2.1461  74.858  2.0768 77.422  1.7682 -2.564453      2.727575 
1 1 1 14 4  60 o 22.518  3.2040 4.1065   1.0991  4.3181   1.5439  3.8891   1.5652  22.794  4.4802 21.548  4.7603 1.245949       6.536980 
1 1 1 14 4  61 o 78.441  1.6178 48.415   1.9895  48.083   2.6614  48.835   2.9951  78.051  2.1751 78.592  2.4309 -0.5409393     3.261984 
1 1 1 14 4  62 o 27.517  2.6614 6.0563   1.1337  7.9299   1.6860  4.5096   1.5318  31.321  3.4932 23.289  4.3559 8.032063       5.583552 
1 1 1 14 4  63 o 16.039  3.6856 2.1433   0.9072  1.5008   1.1575  3.1666   1.4608  13.854  4.5814 19.342  4.8318 -5.487515      6.658508 
1 1 1 14 4  64 o 12.892  4.3067 1.2860   1.0220  2.1356   1.1280  -2.6082  2.4150  15.959  4.3772 11.023  5.2238 4.936257       6.815312 
1 1 1 14 4  65 o 37.586  1.8755 11.155   1.1051  10.761   1.3074  12.140   2.0680  36.785  2.2785 38.737  3.4413 -1.952637      4.127189 
1 1 1 14 4  66 o 52.764  1.4423 21.926   1.1930  23.616   1.4586  18.512   2.0738  54.709  1.7007 48.104  2.7615 6.604614       3.243217 
1 1 1 14 4  67 o 30.962  2.7878 7.7190   1.3386  5.8781   2.0599  9.0647   1.7612  26.117  5.2137 33.362  3.4156 -7.244829      6.232931 
1 1 1 14 4  68 f 26.404  3.2112 5.6948   1.3018  7.6747   2.0721  4.4035   1.6734  30.177  4.5190 22.595  4.8677 7.581947       6.642015 
1 1 1 14 4  69 o 16.163  4.6257 2.2391   1.2315  5.2058   1.8711  -0.0283  1.6358  24.482  5.0433 11.386  4.9414 13.09556       7.060642 
1 1 1 14 4  70 o 15.583  4.5956 2.0770   1.1993  4.2074   1.9549  0.7914   1.5186  21.678  5.6831 12.568  5.0471 9.109859       7.600672 
1 1 1 14 4  71 o 23.232  3.4973 4.4896   1.2342  5.1940   2.0250  4.0732   1.5568  24.142  5.4765 21.632  4.7231 2.509569       7.231840 
1 1 1 14 4  72 o 15.995  5.0744 2.1962   1.4286  0.9812   1.9152  3.7206   2.1452  13.855  5.6310 20.212  6.1890 -6.356204      8.367305 
1 1 1 14 4  73 o 65.864  1.6089 34.327   1.6612  36.237   2.8533  33.348   2.0432  67.089  2.7129 64.745  2.0130 2.344269       3.378159 
1 1 1 14 4  74 o 23.018  3.7313 4.4678   1.3003  7.0155   2.0598  2.7798   1.6767  28.393  4.7988 17.682  5.4811 10.71113       7.285002 
1 1 1 14 4  75 o 6.7256  3.2805 -1.9318  1.1265  -1.0603  1.9283  -2.3834  1.3880  10.726  4.9441 7.4205  3.6242 3.305633       6.130200 
1 1 1 14 4  76 o 23.581  4.2796 4.8214   1.5237  6.6379   2.0332  2.4938   2.3015  27.379  4.9178 17.184  6.3929 10.19518       8.065598 
1 1 1 14 4  77 o 31.804  3.7438 8.5531   1.8308  9.0475   2.8587  8.2094   2.3838  30.989  6.1016 30.160  5.2315 0.8296356      8.037330 
1 1 1 14 4  78 o 20.795  5.5446 4.0830   1.8405  1.8573   4.6504  4.4964   2.0042  18.239  8.1076 21.685  5.7876 -3.446701      9.961411 
1 1 1 14 5  0  o 76.639  2.1081 46.151   2.5284  46.151   2.5284  46.151   2.5284  76.639  2.1081 76.639  2.1081 -0.000000      0.000000 
1 1 1 14 5  1  o 166.684 1.5448 217.824  4.0366  212.576  5.5961  223.516  5.8280  164.647 2.1681 168.830 2.2020 -4.182297      3.090232 
1 1 1 14 5  2  o 252.198 1.9360 498.713  7.6541  497.105  10.795  500.339  10.854  251.749 2.7352 252.566 2.7414 -0.8173370     3.872577 
1 1 1 14 5  3  f 77.800  1.4673 47.454   1.7896  47.037   2.5232  47.876   2.5386  77.450  2.0782 78.138  2.0725 -0.6881409     2.934923 
1 1 1 14 5  4  o 155.547 1.4317 189.682  3.4911  186.498  4.6757  193.694  5.2478  154.224 1.9339 157.166 2.1299 -2.941544      2.876946 
1 1 1 14 5  5  o 67.251  1.4701 35.457   1.5498  37.928   2.1278  32.665   2.2619  69.550  1.9516 64.540  2.2356 5.009613       2.967594 
1 1 1 14 5  6  o 69.080  1.3991 37.411   1.5152  39.295   2.1318  35.488   2.1540  70.792  1.9209 67.274  2.0424 3.517693       2.803813 
1 1 1 14 5  7  f 274.536 1.8786 590.969  8.0852  591.032  11.408  590.905  11.461  274.506 2.6509 274.476 2.6635 0.3027344E-01  3.757879 
1 1 1 14 5  8  f 196.221 1.5245 301.863  4.6896  299.914  6.5670  303.891  6.6993  195.566 2.1420 196.857 2.1708 -1.291000      3.049696 
1 1 1 14 5  9  o 175.922 1.4473 242.634  3.9913  240.425  5.5858  244.938  5.7053  175.103 2.0349 176.738 2.0592 -1.634918      2.894991 
1 1 1 14 5  10 o 280.241 1.9089 615.798  8.3865  620.543  11.906  611.125  11.815  281.269 2.7001 279.126 2.7002 2.142670       3.818560 
1 1 1 14 5  11 f 92.619  1.3906 67.252   2.0191  69.847   3.0543  65.237   2.6910  94.378  2.0643 91.214  1.8819 3.164474       2.793415 
1 1 1 14 5  12 o 158.952 1.3937 198.078  3.4729  190.999  4.7883  205.935  5.0444  156.071 1.9571 162.057 1.9856 -5.986771      2.787956 
1 1 1 14 5  13 o 128.838 1.3756 130.136  2.7783  133.449  4.1398  127.420  3.7476  130.454 2.0243 127.477 1.8753 2.977165       2.759419 
1 1 1 14 5  14 o 308.215 2.1363 744.956  10.322  761.631  15.562  731.857  13.793  311.557 3.1863 305.435 2.8807 6.121979       4.295413 
1 1 1 14 5  15 o 329.080 2.2468 849.281  11.591  835.197  16.864  861.891  15.958  326.243 3.2974 331.440 3.0712 -5.197052      4.506141 
1 1 1 14 5  16 o 173.536 1.4994 236.105  4.0790  229.306  5.8715  242.447  5.6708  170.997 2.1903 175.833 2.0573 -4.836380      3.004968 
1 1 1 14 5  17 o 122.169 1.3669 117.011  2.6179  116.357  3.8158  117.593  3.5984  121.813 1.9982 122.462 1.8744 -0.6485825     2.739712 
1 1 1 14 5  18 o 208.938 1.7418 342.294  5.7050  345.120  9.0085  340.401  7.3717  209.749 2.7397 208.337 2.2571 1.412018       3.549677 
1 1 1 14 5  19 f 50.297  1.8340 19.836   1.4461  18.188   1.9727  21.751   2.1260  48.081  2.6271 52.659  2.5753 -4.577808      3.678868 
1 1 1 14 5  20 o 146.970 1.4352 169.347  3.3067  168.883  4.1039  170.206  5.5830  146.759 1.7838 147.311 2.4176 -0.5519409     3.004407 
1 1 1 14 5  21 o 248.219 1.7604 483.110  6.8503  482.771  8.3609  483.804  11.948  248.111 2.1496 248.309 3.0695 -0.1981201     3.747303 
1 1 1 14 5  22 o 189.069 1.5770 280.279  4.6742  281.444  5.4900  277.209  8.9114  189.452 1.8485 187.959 3.0243 1.492859       3.544508 
1 1 1 14 5  23 o 347.711 2.4737 948.364  13.484  953.190  17.409  941.127  21.316  348.511 3.1865 346.191 3.9278 2.320343       5.057755 
1 1 1 14 5  24 o 113.543 1.4748 101.078  2.6251  100.766  3.0804  101.908  5.0171  113.361 1.7333 113.968 2.8081 -0.6068344     3.299989 
1 1 1 14 5  25 o 76.183  1.5138 45.506   1.8080  49.349   2.5174  41.413   2.5982  79.326  2.0244 72.663  2.2809 6.663048       3.049713 
1 1 1 14 5  26 o 32.259  2.5591 8.2153   1.2836  9.6320   1.7695  6.6422   1.8647  34.877  3.2747 28.766  4.2639 6.110849       5.376340 
1 1 1 14 5  27 o 134.958 1.5103 142.810  3.1953  150.046  4.6008  136.067  4.4412  138.315 2.1218 131.713 2.1509 6.601837       3.021354 
1 1 1 14 5  28 o 223.732 1.7315 392.519  6.0730  400.572  9.1062  386.069  8.1502  225.958 2.5707 221.847 2.3435 4.110794       3.478598 
1 1 1 14 5  29 o 154.306 1.4121 186.688  3.4159  182.764  4.7386  190.934  4.9288  152.654 1.9801 156.027 2.0150 -3.373367      2.825098 
1 1 1 14 5  30 f 96.512  1.3774 73.032   2.0840  70.152   2.9154  76.041   2.9799  94.576  1.9664 98.466  1.9305 -3.890442      2.755636 
1 1 1 14 5  31 o 101.244 1.5157 80.375   2.4057  81.604   3.0786  78.447   3.8554  102.003 1.9252 99.992  2.4596 2.011772       3.123437 
1 1 1 14 5  32 o 219.010 1.6490 376.145  5.6617  371.011  7.8967  381.575  8.1217  217.461 2.3164 220.532 2.3492 -3.071228      3.299154 
1 1 1 14 5  33 o 188.358 1.4644 278.203  4.3241  281.065  5.9286  274.950  6.3206  189.292 1.9979 187.211 2.1537 2.081589       2.937633 
1 1 1 14 5  34 o 213.056 1.5497 355.973  5.1759  353.631  6.9912  358.813  7.6995  212.312 2.1005 213.844 2.2967 -1.531891      3.112410 
1 1 1 14 5  35 o 186.998 1.4499 274.214  4.2503  268.355  5.6846  281.641  6.4006  184.955 1.9605 189.462 2.1550 -4.507156      2.913372 
1 1 1 14 5  36 o 118.340 1.2874 109.812  2.3883  105.648  3.1680  115.295  3.6352  116.056 1.7413 121.230 1.9128 -5.174316      2.586630 
1 1 1 14 5  37 o 254.790 1.7270 509.232  6.8979  510.786  9.3891  507.410  10.168  255.098 2.3478 254.221 2.5512 0.8762512      3.467150 
1 1 1 14 5  38 o 63.706  1.4373 31.830   1.4354  32.508   1.9402  31.011   2.1336  64.366  1.9228 62.858  2.1652 1.508244       2.895720 
1 1 1 14 5  39 o 147.085 1.3231 169.667  3.0508  167.668  4.1088  172.122  4.5546  146.183 1.7929 148.097 1.9618 -1.914017      2.657674 
1 1 1 14 5  40 o 95.774  1.2753 71.938   1.9148  69.263   2.5374  75.476   2.9180  93.954  1.7228 98.067  1.8981 -4.112511      2.563308 
1 1 1 14 5  41 o 111.631 1.3306 97.743   2.3286  100.700  3.0278  93.463   3.6432  113.282 1.7049 109.101 2.1301 4.180603       2.728395 
1 1 1 14 5  42 o 69.351  1.3559 37.729   1.4742  40.950   2.0327  34.155   2.1411  72.229  1.7952 65.951  2.0709 6.278519       2.740704 
1 1 1 14 5  43 o 117.801 1.3070 108.862  2.4137  108.616  3.3578  109.124  3.4720  117.624 1.8210 117.893 1.8786 -0.2689819     2.616342 
1 1 1 14 5  44 o 70.196  1.4282 38.664   1.5716  38.502   2.0932  38.872   2.3795  70.020  1.9069 70.337  2.1580 -0.3164215     2.879822 
1 1 1 14 5  45 o 78.669  1.4623 48.568   1.8034  49.451   2.5393  47.670   2.5616  79.334  2.0418 77.888  2.0979 1.446465       2.927476 
1 1 1 14 5  46 o 31.149  2.4769 7.6818   1.1995  7.0424   1.6270  8.4432   1.7755  29.649  3.5724 32.507  3.5414 -2.858067      5.030224 
1 1 1 14 5  47 o 74.337  1.7603 43.404   2.0514  46.131   2.4715  37.362   3.6784  76.609  2.0579 68.776  3.4117 7.832771       3.984297 
1 1 1 14 5  48 o 44.829  2.1592 15.805   1.5174  14.200   2.0690  17.673   2.2322  42.300  3.1426 47.234  3.0305 -4.934151      4.365778 
1 1 1 14 5  49 o 58.166  1.7901 26.584   1.6323  25.989   2.1243  27.442   2.5505  57.460  2.3583 58.998  2.7576 -1.538174      3.628491 
1 1 1 14 5  50 o 8.2650  3.7829 -0.7536  1.1021  -1.0605  1.5416  -0.4329  1.5761  9.7432  4.4649 10.805  4.7655 -1.062002      6.530381 
1 1 1 14 5  51 o 57.510  1.7521 25.993   1.5797  27.740   2.2844  24.392   2.1867  59.336  2.4558 55.634  2.5073 3.702106       3.509651 
1 1 1 14 5  52 o 18.476  4.0227 2.8178   1.1321  3.3073   1.9513  2.5694   1.3900  20.024  5.8497 17.642  4.8673 2.381626       7.609831 
1 1 1 14 5  53 o 40.169  2.0962 12.735   1.3154  10.393   2.2826  13.900   1.6096  35.895  4.1317 41.919  2.4602 -6.023785      4.808735 
1 1 1 14 5  54 o 59.768  1.6562 28.078   1.5518  31.176   2.7653  26.654   1.8749  62.816  2.8081 58.189  2.0553 4.626606       3.479895 
1 1 1 14 5  55 o 32.197  2.3695 8.2177   1.1876  8.2763   1.9578  8.1836   1.4938  31.988  3.9910 32.020  3.0112 -0.3132820E-01 4.999576 
1 1 1 14 5  56 o 40.936  1.9671 13.193   1.2624  13.410   2.1195  13.074   1.5715  40.975  3.3284 40.624  2.4795 0.3503876      4.150465 
1 1 1 14 5  57 o 39.398  2.0111 12.258   1.2380  14.773   2.0968  10.912   1.5339  43.048  3.1284 37.061  2.6577 5.987778       4.104928 
1 1 1 14 5  58 o 32.566  2.5473 8.4327   1.2901  8.4238   1.9189  8.4401   1.7427  32.252  3.8726 32.381  3.4882 -0.1284332     5.211944 
1 1 1 14 5  59 o 32.637  2.1347 8.4379   1.0862  9.3603   1.6594  7.7464   1.4368  34.185  3.1312 31.106  2.9829 3.079271       4.324652 
1 1 1 14 5  60 o 35.691  1.9581 10.073   1.0914  10.451   1.6966  9.8055   1.4255  36.144  3.0220 35.094  2.6097 1.049782       3.992893 
1 1 1 14 5  61 o 30.625  2.1925 7.4471   1.0456  7.5236   1.6144  7.3918   1.3724  30.504  3.4360 30.361  2.9194 0.1422081      4.508732 
1 1 1 14 5  62 o 15.885  4.4542 2.1081   1.1540  2.8279   1.7534  1.5580   1.5328  18.369  5.5894 14.681  5.2544 3.688489       7.671423 
1 1 1 14 5  63 o 40.641  2.1940 13.106   1.3926  15.674   2.1804  11.336   1.8098  44.177  3.1695 37.555  3.1019 6.622166       4.434827 
1 1 1 14 5  64 o 20.933  3.4443 3.6072   1.0910  3.4145   1.2685  4.1550   2.1383  20.161  4.1517 21.818  6.0440 -1.656664      7.332557 
1 1 1 14 5  65 o 57.134  1.5130 25.725   1.3551  25.612   1.7701  25.886   2.1064  56.898  1.9845 57.095  2.3533 -0.1969948     3.078363 
1 1 1 14 5  66 o 71.160  1.2988 39.865   1.4489  40.546   1.8236  38.697   2.3859  71.678  1.6229 69.835  2.1794 1.843269       2.717262 
1 1 1 14 5  67 o 22.059  2.4361 3.9228   0.8284  4.3485   0.9207  2.1143   1.8977  23.203  2.5748 16.400  5.8490 6.803047       6.390658 
1 1 1 14 5  68 o 27.307  3.2807 6.1140   1.3763  4.9278   1.8938  7.4417   2.0036  23.702  5.2363 29.661  4.4458 -5.959438      6.869085 
1 1 1 14 5  69 o 39.639  2.4211 12.596   1.4973  13.483   2.1288  11.727   2.1063  40.601  3.3752 37.737  3.6042 2.864262       4.937859 
1 1 1 14 5  70 o 49.012  1.9975 19.089   1.5348  21.357   2.3239  17.334   2.0439  51.385  2.8967 46.311  2.8289 5.073807       4.048934 
1 1 1 14 5  71 o 19.934  4.1934 3.4187   1.2689  5.3657   1.9024  1.8582   1.7031  24.672  5.0877 15.333  5.5329 9.338818       7.516490 
1 1 1 14 5  72 o 34.314  2.5555 9.5036   1.3648  8.8172   2.0016  10.100   1.8659  32.362  4.0327 34.977  3.4478 -2.614857      5.305670 
1 1 1 14 5  73 o 45.555  2.0817 16.544   1.4867  16.918   2.1896  16.224   2.0249  45.520  3.0867 44.675  2.9072 0.8453217      4.240183 
1 1 1 14 5  74 o 19.082  4.7618 3.2349   1.4199  1.5136   1.8410  5.7620   2.2307  14.633  5.6536 25.008  5.8021 -10.37577      8.101085 
1 1 1 14 5  75 o 19.033  4.8373 3.2488   1.4464  1.5324   1.8977  5.6281   2.2343  14.693  5.7222 24.546  5.8830 -9.853518      8.206938 
1 1 1 14 5  76 o 39.665  2.9530 12.919   1.8231  12.924   2.6888  12.915   2.4802  38.527  4.5388 38.834  4.1378 -0.3066559     6.141834 
1 1 1 14 5  77 o 28.003  3.9070 6.7451   1.6684  7.4981   2.4296  6.0732   2.2952  28.252  5.6825 25.169  5.9168 3.082867       8.203609 
1 1 1 14 6  0  f 126.509 1.7663 125.541  3.5015  125.541  3.5015  125.541  3.5015  126.509 1.7663 126.509 1.7663 0.000000       0.000000 
1 1 1 14 6  1  o 283.059 1.7873 628.229  7.9308  628.557  11.214  627.900  11.217  283.087 2.5270 282.939 2.5290 0.1479797      3.575099 
1 1 1 14 6  2  o 235.877 1.5787 436.218  5.8377  432.483  8.1989  440.059  8.3139  234.835 2.2271 236.882 2.2388 -2.047119      3.157876 
1 1 1 14 6  3  o 141.796 1.3122 157.625  2.9169  162.064  4.0237  152.709  4.2347  143.767 1.7853 139.553 1.9356 4.214844       2.633252 
1 1 1 14 6  4  o 197.726 1.5438 306.519  4.7852  308.810  6.3187  303.438  7.3275  198.446 2.0311 196.697 2.3763 1.748825       3.126052 
1 1 1 14 6  5  o 61.950  1.4655 30.089   1.4232  29.359   1.9277  30.963   2.1101  61.188  2.0096 62.836  2.1421 -1.647568      2.937224 
1 1 1 14 6  6  f 79.597  1.3184 49.670   1.6451  49.944   2.2326  49.344   2.4333  79.811  1.7844 79.326  1.9567 0.4841690      2.648196 
1 1 1 14 6  7  o 210.650 1.5358 347.899  5.0715  345.560  6.8607  350.717  7.5305  209.919 2.0848 211.471 2.2715 -1.551483      3.083209 
1 1 1 14 6  8  o 189.724 1.4537 282.206  4.3235  280.000  5.8514  284.858  6.4165  188.964 1.9753 190.589 2.1476 -1.625015      2.917814 
1 1 1 14 6  9  o 244.436 1.7471 468.484  6.6949  460.315  8.6197  480.907  10.629  242.269 2.2696 247.598 2.7384 -5.329193      3.556629 
1 1 1 14 6  10 o 135.892 1.3508 144.775  2.8777  148.041  4.1089  141.631  4.0316  137.403 1.9076 134.395 1.9136 3.007950       2.701938 
1 1 1 14 6  11 o 72.040  1.4363 40.688   1.6220  39.228   2.2829  42.176   2.3051  70.728  2.0589 73.337  2.0050 -2.609558      2.873868 
1 1 1 14 6  12 o 115.934 1.3292 105.372  2.4157  103.027  3.3694  107.852  3.4654  114.626 1.8751 117.279 1.8849 -2.652954      2.658665 
1 1 1 14 6  13 o 151.339 1.3338 179.561  3.1645  178.911  4.2971  180.331  4.6777  151.053 1.8146 151.646 1.9677 -0.5936432     2.676675 
1 1 1 14 6  14 o 132.832 1.3465 138.330  2.8038  142.784  3.7077  132.380  4.2850  134.945 1.7527 129.925 2.1038 5.019089       2.738203 
1 1 1 14 6  15 o 216.582 1.5606 367.777  5.2987  364.855  7.1676  371.299  7.8681  215.695 2.1197 217.581 2.3067 -1.886429      3.132777 
1 1 1 14 6  16 o 274.057 1.8141 588.936  7.7940  592.375  10.652  584.974  11.434  274.812 2.4726 273.074 2.6710 1.737854       3.639758 
1 1 1 14 6  17 o 32.845  2.2614 8.5012   1.1573  10.012   1.5545  6.6224   1.7335  35.613  2.8071 28.774  3.9470 6.839125       4.843445 
1 1 1 14 6  18 f 86.593  1.3739 58.788   1.8650  60.764   2.6484  56.843   2.6269  88.028  1.9191 85.138  1.9682 2.889061       2.748968 
1 1 1 14 6  19 o 254.115 1.7244 506.337  6.8693  507.293  9.3592  505.221  10.114  254.316 2.3475 253.781 2.5422 0.5342712      3.460307 
1 1 1 14 6  20 o 166.131 1.3856 216.385  3.6087  214.445  4.8835  218.719  5.3561  165.368 1.8838 167.001 2.0459 -1.633057      2.781042 
1 1 1 14 6  21 o 164.367 1.3806 211.814  3.5574  207.899  4.7823  216.666  5.3230  162.824 1.8735 166.214 2.0428 -3.390869      2.771883 
1 1 1 14 6  22 o 435.867 2.6284 1490.46  17.960  1504.85  24.658  1474.21  26.211  437.795 3.5929 433.259 3.8591 4.535828       5.272685 
1 1 1 14 6  23 o 89.054  1.3354 62.177   1.8643  60.466   2.4817  64.393   2.8244  87.811  1.8028 90.614  1.9883 -2.802521      2.683889 
1 1 1 14 6  24 o 171.319 1.4013 230.120  3.7636  224.686  5.0161  237.118  5.6930  169.266 1.8903 173.876 2.0886 -4.610214      2.817002 
1 1 1 14 6  25 o 141.568 1.3262 157.131  2.9432  155.211  3.9643  159.489  4.3933  140.685 1.7975 142.604 1.9652 -1.919144      2.663268 
1 1 1 14 6  26 o 50.038  1.7927 19.635   1.4063  20.478   1.8325  18.427   2.1933  51.093  2.2878 48.369  2.9061 2.723721       3.698571 
1 1 1 14 6  27 o 101.001 1.3831 79.984   2.1899  81.007   2.8551  78.523   3.4131  101.634 1.7919 100.052 2.1760 1.581688       2.818889 
1 1 1 14 6  28 o 161.649 1.5044 204.895  3.8124  209.044  5.1507  199.868  5.6697  163.254 2.0125 159.617 2.2658 3.637268       3.030555 
1 1 1 14 6  29 o 93.067  1.3899 67.914   2.0279  68.818   2.6287  66.584   3.1870  93.674  1.7901 92.128  2.2066 1.546234       2.841396 
1 1 1 14 6  30 o 195.735 1.6250 300.446  4.9862  300.895  6.2380  299.651  8.2981  195.855 2.0317 195.392 2.7090 0.4622040      3.386246 
1 1 1 14 6  31 o 239.756 2.0195 450.925  7.5903  458.021  9.3073  436.835  13.116  241.590 2.4575 235.788 3.5482 5.802094       4.316167 
1 1 1 14 6  32 o 167.574 1.5947 220.223  4.1894  223.396  5.4225  215.526  6.5984  168.748 2.0498 165.710 2.5400 3.037445       3.263921 
1 1 1 14 6  33 o 246.788 1.9368 477.785  7.4933  490.781  10.732  465.422  10.467  250.018 2.7381 243.473 2.7424 6.545517       3.875285 
1 1 1 14 6  34 o 113.322 1.4242 100.708  2.5301  103.088  3.3982  97.748   3.7901  114.632 1.8910 111.608 2.1662 3.023361       2.875478 
1 1 1 14 6  35 o 166.519 1.5289 217.479  3.9911  230.497  5.5670  203.713  5.7248  171.387 2.0720 161.104 2.2667 10.28284       3.071038 
1 1 1 14 6  36 o 70.254  1.6591 38.718   1.8272  37.071   2.5511  40.452   2.6184  68.716  2.3682 71.783  2.3268 -3.067131      3.320008 
1 1 1 14 6  37 o 50.934  1.9000 20.359   1.5171  20.272   2.1046  20.452   2.1890  50.729  2.6556 50.945  2.7510 -0.2161560     3.823667 
1 1 1 14 6  38 o 169.215 1.6855 224.668  4.4711  219.636  5.8520  231.724  6.9300  167.246 2.2320 171.737 2.5740 -4.490692      3.406984 
1 1 1 14 6  39 o 126.284 1.5334 125.118  3.0357  124.448  4.0929  125.939  4.5260  125.897 2.0738 126.627 2.2800 -0.7299728     3.082058 
1 1 1 14 6  40 o 71.440  1.7188 40.055   1.9249  39.889   2.4375  40.330   3.1377  71.264  2.1819 71.609  2.7951 -0.3456573     3.545824 
1 1 1 14 6  41 o 70.507  1.6234 39.015   1.7944  40.853   2.2764  35.998   2.9160  72.125  2.0133 67.647  2.7497 4.477463       3.407980 
1 1 1 14 6  42 o 63.435  1.5719 31.582   1.5632  33.070   1.9013  28.480   2.7460  64.894  1.8689 60.145  2.9123 4.749359       3.460433 
1 1 1 14 6  43 o 107.632 1.3854 90.903   2.3376  88.668   2.9057  95.003   3.9354  106.267 1.7442 109.930 2.2836 -3.662979      2.873550 
1 1 1 14 6  44 o 68.502  1.6291 36.842   1.7494  41.095   2.4113  32.115   2.5420  72.307  2.1272 63.883  2.5383 8.423824       3.311801 
1 1 1 14 6  45 o 47.458  1.8436 17.694   1.3716  19.281   1.9414  16.111   1.9382  49.431  2.5136 45.141  2.7521 4.289101       3.727184 
1 1 1 14 6  46 o 36.336  2.2353 10.425   1.2671  10.003   1.7450  10.895   1.8431  35.459  3.1726 37.011  3.2083 -1.552097      4.512033 
1 1 1 14 6  47 o 50.404  1.8625 19.966   1.4717  21.179   2.2540  19.066   1.9430  51.754  2.7885 49.135  2.5311 2.618324       3.765940 
1 1 1 14 6  48 o 47.735  1.7637 17.906   1.3198  17.240   1.8085  18.664   1.9305  46.717  2.4782 48.605  2.5424 -1.887550      3.550403 
1 1 1 14 6  49 o 64.582  1.5128 32.756   1.5316  34.382   2.1037  30.922   2.2342  66.113  2.0298 62.670  2.2741 3.443317       3.048194 
1 1 1 14 6  50 o 33.294  2.3643 8.7764   1.2260  8.5762   1.5641  9.0955   1.9746  32.796  3.0781 33.636  3.8119 -0.8401184     4.899566 
1 1 1 14 6  51 o 56.510  1.5292 25.086   1.3547  26.584   1.9595  23.715   1.8749  58.108  2.1511 54.881  2.1793 3.227707       3.062081 
1 1 1 14 6  52 o 70.728  1.4559 39.295   1.6143  39.993   2.4030  38.721   2.1793  71.264  2.1509 70.146  1.9818 1.117531       2.924735 
1 1 1 14 6  53 o 74.634  1.5210 43.769   1.7796  43.418   2.8580  43.991   2.2742  74.188  2.4574 74.766  1.9403 -0.5780258     3.131046 
1 1 1 14 6  54 o 35.266  2.2436 9.8425   1.2339  10.639   2.0417  9.3843   1.5488  36.402  3.6261 34.320  2.9060 2.082230       4.646846 
1 1 1 14 6  55 o 66.969  1.5624 35.256   1.6402  34.511   2.3005  36.025   2.3393  66.161  2.2180 67.598  2.2075 -1.437553      3.129309 
1 1 1 14 6  56 o 37.998  2.1797 11.423   1.2930  10.142   1.7389  13.006   1.9337  35.613  3.1470 40.379  3.0780 -4.766056      4.402007 
1 1 1 14 6  57 o 31.726  2.4680 8.0017   1.2178  8.7625   1.6927  7.1854   1.7534  33.030  3.3136 29.746  3.8506 3.284897       5.080002 
1 1 1 14 6  58 o 31.543  2.7165 7.9399   1.3302  8.9590   1.9999  7.1314   1.7814  33.221  3.9152 29.586  3.9387 3.635990       5.553511 
1 1 1 14 6  59 o 35.543  2.4935 10.048   1.3806  9.3638   2.0441  10.622   1.8721  33.943  3.9130 36.350  3.3220 -2.406788      5.132993 
1 1 1 14 6  60 o 51.658  2.0022 21.062   1.6214  20.998   2.2995  21.125   2.2866  51.317  2.8699 51.479  2.8444 -0.1628113     4.040656 
1 1 1 14 6  61 o 46.337  1.8946 16.944   1.3763  16.893   2.1935  16.977   1.7675  45.922  3.0645 46.216  2.4483 -0.2938995     3.922426 
1 1 1 14 6  62 o 55.603  1.7003 24.378   1.4821  26.655   2.4356  23.039   1.8676  57.887  2.6840 53.945  2.2084 3.942871       3.475725 
1 1 1 14 6  63 o 41.632  1.7839 13.683   1.1643  14.961   1.6983  12.550   1.5992  43.312  2.5120 39.635  2.5880 3.677174       3.606602 
1 1 1 14 6  64 o 62.941  1.7858 31.296   1.7620  32.616   2.4548  29.893   2.5307  64.038  2.4453 61.234  2.6363 2.803364       3.595745 
1 1 1 14 6  65 o 29.831  2.6638 7.1616   1.2326  8.2503   1.6509  5.7904   1.8528  31.801  3.3626 26.078  4.7054 5.723383       5.783357 
1 1 1 14 6  66 o 48.773  1.5647 18.780   1.1964  20.584   1.5137  15.778   1.9527  50.977  1.8942 44.265  2.8288 6.711853       3.404435 
1 1 1 14 6  67 o 19.449  3.2831 3.1411   0.9654  3.0248   1.0980  3.5371   2.0262  18.903  3.8362 19.898  5.9984 -0.9947319     7.120202 
1 1 1 14 6  68 o 24.673  3.2820 5.0209   1.2380  3.8436   1.9181  5.8613   1.6207  20.671  5.7237 26.373  4.0494 -5.702467      7.011254 
1 1 1 14 6  69 o 32.936  2.8147 8.8002   1.4394  7.6691   2.0101  9.9907   2.0621  30.012  4.4033 34.614  3.8663 -4.602013      5.859820 
1 1 1 14 6  70 o 32.124  2.9698 8.4171   1.4787  9.6030   2.0665  7.1729   2.1167  33.835  3.9716 28.711  4.8772 5.123886       6.289680 
1 1 1 14 6  71 o 37.215  2.7312 11.222   1.5823  11.375   2.1661  11.048   2.3168  36.921  3.7966 36.164  4.1625 0.7561836      5.633921 
1 1 1 14 6  72 o 41.908  2.4672 14.149   1.6137  13.329   2.1916  15.120   2.3849  40.116  3.5205 42.693  3.5969 -2.576561      5.033040 
1 1 1 14 6  73 o 15.567  5.0227 2.1056   1.3952  4.9786   1.9323  -1.0239  2.0167  23.410  5.3783 11.013  5.0688 12.39697       7.390408 
1 1 1 14 6  74 o 17.226  5.0541 2.6735   1.4538  2.2998   1.9914  3.1000   2.1274  16.436  5.9749 18.342  6.2131 -1.906376      8.619867 
1 1 1 14 6  75 o 17.150  5.1423 2.6809   1.4921  3.1453   1.9752  2.0638   2.2771  18.314  5.9812 16.121  6.2711 2.192554       8.666095 
1 1 1 14 6  76 o 23.908  4.6322 5.1283   1.6735  4.5460   2.3283  5.7505   2.4069  21.334  6.4297 24.122  6.2973 -2.787838      8.999844 
1 1 1 14 7  0  o 200.194 2.0549 314.308  6.4474  314.308  6.4474  314.308  6.4474  200.194 2.0549 200.194 2.0549 0.000000       0.000000 
1 1 1 14 7  1  o 115.679 1.2465 104.908  2.2605  106.900  3.2247  102.983  3.1695  116.762 1.7617 114.603 1.7642 2.159096       2.493191 
1 1 1 14 7  2  o 353.854 2.1267 981.956  11.798  976.418  16.590  987.623  16.780  352.767 2.9999 354.783 3.0170 -2.016388      4.254603 
1 1 1 14 7  3  o 79.803  1.3318 49.928   1.6661  51.547   2.3778  48.366   2.3352  81.079  1.8708 78.537  1.8967 2.541962       2.664032 
1 1 1 14 7  4  o 423.159 2.4714 1404.52  16.395  1420.60  23.456  1389.17  22.924  425.424 3.5171 420.698 3.4758 4.726257       4.944842 
1 1 1 14 7  5  f 9.7072  4.0944 0.0559   1.0662  0.0364   1.5060  0.0755   1.5098  11.451  4.8499 11.539  4.8699 -0.8879948E-01 6.872931 
1 1 1 14 7  6  o 188.276 1.4563 277.920  4.2982  282.857  6.3822  273.822  5.8146  189.915 2.1437 186.864 1.9849 3.050873       2.921503 
1 1 1 14 7  7  o 42.315  1.8530 14.041   1.2292  16.167   1.7784  12.096   1.7008  45.330  2.5125 39.167  2.7883 6.163376       3.753257 
1 1 1 14 7  8  o 299.237 1.9402 702.169  9.1015  698.824  12.332  706.171  13.489  298.469 2.6356 300.011 2.8680 -1.542694      3.895100 
1 1 1 14 7  9  o 190.918 1.5305 285.781  4.5806  283.569  6.3944  288.113  6.5649  190.152 2.1451 191.668 2.1849 -1.515396      3.061867 
1 1 1 14 7  10 o 57.857  1.5995 26.246   1.4508  26.378   1.9845  26.094   2.1261  57.995  2.1828 57.679  2.3514 0.3153038      3.208364 
1 1 1 14 7  11 o 106.238 1.3640 88.487   2.2716  90.261   3.2693  86.831   3.1587  107.285 1.9438 105.228 1.9148 2.057350       2.728527 
1 1 1 14 7  12 o 109.544 1.3159 94.079   2.2598  97.904   3.1264  89.895   3.2700  111.739 1.7848 107.067 1.9482 4.671852       2.642161 
1 1 1 14 7  13 o 110.250 1.3029 95.296   2.2518  99.267   3.0994  90.855   3.2771  112.515 1.7572 107.638 1.9421 4.877342       2.619066 
1 1 1 14 7  14 o 65.264  1.5527 33.397   1.5886  34.865   2.0867  31.374   2.4499  66.677  1.9963 63.242  2.4711 3.434429       3.176762 
1 1 1 14 7  15 o 87.124  1.3439 59.511   1.8355  60.788   2.5175  58.062   2.6817  88.045  1.8240 86.045  1.9881 1.999817       2.698028 
1 1 1 14 7  16 o 94.369  1.3864 69.822   2.0510  68.780   2.8492  70.943   2.9550  93.652  1.9407 95.111  1.9818 -1.459869      2.773768 
1 1 1 14 7  17 f 211.462 1.6989 350.633  5.6320  355.251  8.4181  346.891  7.5778  212.802 2.5234 210.298 2.2986 2.504135       3.413342 
1 1 1 14 7  18 f 225.894 1.6778 400.128  5.9414  393.866  8.2681  406.813  8.5435  224.079 2.3537 227.729 2.3931 -3.650330      3.356629 
1 1 1 14 7  19 o 119.959 1.3598 112.824  2.5572  113.949  3.6185  111.701  3.6143  120.541 1.9149 119.345 1.9318 1.195259       2.720028 
1 1 1 14 7  20 o 73.221  1.4842 42.037   1.7037  42.158   2.3952  41.913   2.4239  73.315  2.0839 73.101  2.1151 0.2141266      2.969247 
1 1 1 14 7  21 o 146.596 1.4069 168.497  3.2332  170.240  4.5650  166.743  4.5798  147.332 1.9765 145.809 2.0036 1.522232       2.814386 
1 1 1 14 7  22 o 78.308  1.4476 48.081   1.7771  48.429   2.4713  47.709   2.5573  78.579  2.0062 77.991  2.0917 0.5882263      2.898239 
1 1 1 14 7  23 o 45.866  1.9094 16.499   1.3729  17.734   1.9160  15.194   1.9683  47.471  2.5844 43.906  2.8755 3.564629       3.866176 
1 1 1 14 7  24 o 135.954 1.3943 144.926  2.9716  141.679  4.1075  148.492  4.3044  134.403 1.9495 137.594 1.9955 -3.191391      2.789747 
1 1 1 14 7  25 o 138.583 1.4598 150.590  3.1714  150.441  4.2468  150.777  4.7686  138.494 1.9560 138.637 2.1941 -0.1430206     2.939401 
1 1 1 14 7  26 o 110.383 1.3224 95.536   2.2883  97.646   3.1165  93.068   3.3706  111.582 1.7816 108.928 1.9739 2.653877       2.659010 
1 1 1 14 7  27 o 151.883 1.3694 180.882  3.2607  182.243  4.4436  179.294  4.7995  152.431 1.8595 151.184 2.0251 1.247299       2.749310 
1 1 1 14 7  28 o 134.871 1.4466 142.639  3.0586  139.891  4.4067  145.192  4.2486  133.535 2.1051 136.048 1.9920 -2.512360      2.898195 
1 1 1 14 7  29 o 114.336 1.3258 102.505  2.3764  106.461  3.2695  98.075   3.4602  116.504 1.7901 111.813 1.9740 4.690773       2.664849 
1 1 1 14 7  30 o 211.589 1.6888 351.145  5.6018  358.512  7.6835  342.786  8.1844  213.740 2.2931 208.978 2.4982 4.762909       3.391089 
1 1 1 14 7  31 o 224.886 1.9252 396.763  6.7872  393.906  8.2728  402.646  11.871  224.026 2.3556 226.346 3.3455 -2.320190      4.091580 
1 1 1 14 7  32 o 102.082 1.4718 81.727   2.3554  81.277   3.0151  82.433   3.7729  101.782 1.8896 102.478 2.3485 -0.6958618     3.014312 
1 1 1 14 7  33 o 46.069  2.0912 16.656   1.5103  16.256   1.8338  17.501   2.6630  45.424  2.5859 47.025  3.6407 -1.601303      4.465575 
1 1 1 14 7  34 o 90.246  1.6666 63.893   2.3578  61.796   2.6787  71.104   4.9678  88.740  1.9255 95.081  3.3329 -6.340630      3.849110 
1 1 1 14 7  35 o 221.849 1.9212 386.262  6.6816  382.600  7.5346  399.743  14.457  220.756 2.1772 225.190 4.0951 -4.434235      4.637911 
1 1 1 14 7  36 o 115.142 1.4949 104.005  2.6984  105.795  3.2158  99.744   4.9609  116.109 1.7667 112.641 2.8094 3.468864       3.318717 
1 1 1 14 7  37 o 26.860  3.1605 5.7555   1.3053  5.4550   1.5965  6.3612   2.2670  25.991  4.0504 27.864  5.3848 -1.872639      6.738064 
1 1 1 14 7  38 o 165.044 1.6757 213.782  4.3355  206.659  5.6088  224.355  6.8336  162.196 2.2059 168.929 2.5804 -6.733383      3.394752 
1 1 1 14 7  39 o 68.549  1.5915 36.878   1.7102  39.515   2.4140  34.221   2.4233  70.920  2.1712 65.985  2.3427 4.934601       3.194121 
1 1 1 14 7  40 o 123.172 1.4682 119.055  2.8349  122.084  4.0410  116.121  3.9781  124.658 2.0679 121.573 2.0873 3.085068       2.938180 
1 1 1 14 7  41 o 23.920  3.3978 4.6032   1.2383  7.3110   1.8444  2.3809   1.6708  30.144  4.0019 17.381  5.4849 12.76253       6.789622 
1 1 1 14 7  42 o 22.571  3.9986 4.1503   1.3631  4.1152   1.9008  4.1873   1.9558  22.270  5.4815 22.459  5.5797 -0.1892338     7.821713 
1 1 1 14 7  43 o 71.247  1.6647 39.863   1.8593  38.265   2.4398  42.075   2.8715  69.753  2.2312 73.111  2.5054 -3.358650      3.354891 
1 1 1 14 7  44 o 37.636  2.3835 11.193   1.3990  10.447   1.8035  12.319   2.2169  36.235  3.2081 39.293  3.6403 -3.057289      4.852222 
1 1 1 14 7  45 o 75.349  1.7106 44.602   2.0206  41.856   2.5019  49.753   3.4264  72.940  2.1880 79.440  2.7513 -6.499107      3.515304 
1 1 1 14 7  46 o 33.728  2.8384 9.0376   1.4868  9.6826   1.9834  8.2103   2.2465  34.763  3.6962 31.768  4.6484 2.995436       5.938753 
1 1 1 14 7  47 o 83.655  1.5248 54.965   1.9997  56.209   2.6070  53.186   3.1167  84.540  1.9671 82.165  2.4197 2.374886       3.118395 
1 1 1 14 7  48 o 82.597  1.5146 53.587   1.9612  50.799   2.4911  58.133   3.1809  80.360  1.9774 85.900  2.3621 -5.540199      3.080527 
1 1 1 14 7  49 o 20.544  3.7096 3.4514   1.1507  3.9603   1.4906  2.7007   1.8104  21.882  4.4957 18.296  5.6994 3.585896       7.259147 
1 1 1 14 7  50 o 57.371  1.7122 25.876   1.5400  27.135   2.0094  24.084   2.3973  58.696  2.1837 55.147  2.7820 3.549469       3.536693 
1 1 1 14 7  51 o 64.397  1.4970 32.583   1.5113  34.763   2.1508  30.457   2.1240  66.445  2.0648 62.178  2.1790 4.267250       3.001901 
1 1 1 14 7  52 o 50.317  1.7882 19.916   1.4106  19.716   2.1336  20.072   1.8800  49.870  2.7396 50.443  2.3774 -0.5736313     3.627350 
1 1 1 14 7  53 o 82.029  1.3818 52.862   1.7769  55.556   2.5975  50.493   2.4362  83.995  1.9726 80.082  1.9406 3.912811       2.767149 
1 1 1 14 7  54 o 44.855  1.7753 15.833   1.2483  17.046   1.8302  14.778   1.7070  46.380  2.5267 43.173  2.5333 3.206730       3.577952 
1 1 1 14 7  55 o 51.518  1.6428 20.880   1.3268  20.042   1.8953  21.685   1.8579  50.370  2.4003 52.417  2.2610 -2.046841      3.297491 
1 1 1 14 7  56 o 23.289  2.9178 4.3682   1.0419  3.4488   1.4802  5.2709   1.4667  20.259  4.7441 25.406  3.7994 -5.146221      6.077960 
1 1 1 14 7  57 f 23.608  2.9536 4.4942   1.0692  2.6222   1.4890  6.4873   1.5363  17.710  5.0916 28.285  3.5425 -10.57505      6.202689 
1 1 1 14 7  58 f 71.851  1.4291 40.606   1.6097  41.006   2.3568  40.256   2.2037  72.063  2.0862 71.431  1.9680 0.6326141      2.867955 
1 1 1 14 7  59 o 35.401  2.2316 9.9511   1.2321  11.556   1.8563  8.6869   1.6473  37.929  3.1504 32.824  3.2437 5.105019       4.521771 
1 1 1 14 7  60 o 32.163  2.3091 8.2356   1.1565  6.9245   1.7397  9.2739   1.5482  29.042  3.9214 33.986  2.9346 -4.943666      4.897851 
1 1 1 14 7  61 o 50.117  1.7482 19.819   1.3735  17.477   2.1024  21.563   1.8142  46.714  2.8850 52.171  2.2182 -5.457520      3.639198 
1 1 1 14 7  62 o 58.748  1.8122 27.264   1.6690  24.784   2.3782  29.670   2.3428  55.743  2.7214 61.092  2.4462 -5.348770      3.659258 
1 1 1 14 7  63 o 57.734  1.7043 26.324   1.5425  25.305   2.3831  27.058   2.0237  56.289  2.7007 58.385  2.2110 -2.096069      3.490266 
1 1 1 14 7  64 o 24.779  3.0226 5.0043   1.1498  6.9635   1.8527  3.7769   1.4664  28.827  4.2250 20.970  4.5883 7.857622       6.237255 
1 1 1 14 7  65 o 37.395  2.4437 11.207   1.4247  9.0073   3.1834  11.758   1.5931  31.376  6.6772 38.225  2.6755 -6.849375      7.193245 
1 1 1 14 7  66 o 25.309  3.1280 5.2526   1.2146  4.5704   1.5323  6.4059   1.9924  23.102  4.3916 27.232  4.8446 -4.129803      6.538835 
1 1 1 14 7  67 o 16.988  3.7915 2.4603   0.9841  2.7001   1.2032  1.9758   1.7106  17.648  4.3717 15.660  5.5565 1.987798       7.070159 
1 1 1 14 7  68 o 16.855  3.9977 2.4442   1.0403  2.8581   1.3236  1.7751   1.6828  18.056  4.6484 15.088  5.4912 2.968082       7.194542 
1 1 1 14 7  69 o 8.6397  4.0351 -1.1106  1.3507  -0.1010  1.8583  -2.2412  1.9666  11.826  5.1966 9.6640  4.6176 2.161971       6.951755 
1 1 1 14 7  70 o 23.364  3.6774 4.5985   1.3024  3.4818   1.9682  5.4683   1.7371  19.499  5.9194 25.078  4.5876 -5.579025      7.489063 
1 1 1 14 7  71 o 42.605  2.2385 14.563   1.4899  14.518   2.3106  14.595   1.9491  41.818  3.5584 42.293  2.9585 -0.4746399     4.627641 
1 1 1 14 7  72 o 16.709  5.0187 2.4902   1.4203  3.1895   1.9691  1.7318   2.0507  18.607  5.9632 15.350  5.9568 3.256870       8.428659 
1 1 1 14 7  73 o 34.485  3.0145 9.7895   1.6133  9.9867   2.2031  9.5614   2.3691  34.088  4.2123 32.994  4.7143 1.094456       6.322053 
1 1 1 14 7  74 o 29.518  3.4320 7.3250   1.5585  5.6087   2.1016  9.4220   2.3231  24.454  5.6025 32.651  4.6716 -8.197308      7.294655 
1 1 1 14 7  75 o 28.482  3.9218 7.0102   1.7047  7.1210   2.0976  6.7947   2.9256  27.970  4.9656 25.465  7.0751 2.505526       8.643722 
1 1 1 14 8  0  o 359.863 3.0640 1015.83  17.282  1015.83  17.282  1015.83  17.282  359.863 3.0640 359.863 3.0640 0.000000       0.000000 
1 1 1 14 8  1  o 100.154 1.3011 78.641   2.0428  76.796   2.8507  80.588   2.9287  98.961  1.8375 101.375 1.8428 -2.413666      2.602403 
1 1 1 14 8  2  o 150.447 1.3226 177.453  3.1195  177.499  4.4030  177.407  4.4202  150.450 1.8668 150.410 1.8746 0.3923035E-01  2.645612 
1 1 1 14 8  3  o 181.642 1.4559 258.685  4.1459  255.734  6.0213  261.345  5.7168  180.575 2.1271 182.552 1.9976 -1.976563      2.918029 
1 1 1 14 8  4  o 95.338  1.3430 71.261   2.0071  69.741   2.8904  72.676   2.7894  94.304  1.9551 96.270  1.8483 -1.966194      2.690454 
1 1 1 14 8  5  o 164.028 1.4073 210.945  3.6186  212.520  5.3239  209.592  4.9334  164.615 2.0630 163.483 1.9249 1.132339       2.821613 
1 1 1 14 8  6  o 47.682  1.8003 17.828   1.3457  19.777   2.0271  16.293   1.7993  50.143  2.5877 45.503  2.5325 4.639839       3.620695 
1 1 1 14 8  7  o 46.184  1.8552 16.726   1.3432  17.057   1.9425  16.424   1.8593  46.550  2.6731 45.680  2.6072 0.8700104      3.734048 
1 1 1 14 8  8  o 204.493 1.5985 327.889  5.1245  328.048  7.2375  327.729  7.2568  204.509 2.2575 204.409 2.2646 0.9988403E-01  3.197600 
1 1 1 14 8  9  o 238.721 1.6773 446.855  6.2771  441.760  9.1344  451.414  8.6406  237.306 2.4554 239.897 2.2976 -2.590759      3.362680 
1 1 1 14 8  10 o 56.751  1.6750 25.254   1.4902  25.377   2.1422  25.139   2.0743  56.878  2.4025 56.611  2.3373 0.2670860      3.351810 
1 1 1 14 8  11 o 297.111 2.0233 692.314  9.4242  703.315  13.469  681.763  13.191  299.379 2.8699 294.758 2.8547 4.621094       4.047870 
1 1 1 14 8  12 o 94.575  1.3978 70.129   2.0724  73.951   2.9237  66.269   2.9380  97.107  1.9206 91.922  2.0388 5.185112       2.800942 
1 1 1 14 8  13 o 121.213 1.3973 115.196  2.6552  114.051  3.7437  116.355  3.7664  120.592 1.9803 121.804 1.9725 -1.212303      2.795055 
1 1 1 14 8  14 o 177.067 1.5062 245.832  4.1810  246.135  5.8782  245.522  5.9480  177.148 2.1167 176.926 2.1445 0.2221680      3.013184 
1 1 1 14 8  15 o 301.789 2.0437 714.324  9.6686  722.030  13.762  706.813  13.587  303.320 2.8942 300.108 2.8879 3.212585       4.088565 
1 1 1 14 8  16 o 363.299 2.4664 1035.49  14.047  1038.77  20.880  1032.78  18.985  363.676 3.6624 362.687 3.3391 0.9889832      4.956081 
1 1 1 14 8  17 o 78.238  1.5497 47.997   1.9007  48.574   2.5702  47.300   2.8236  78.695  2.0833 77.650  2.3196 1.044685       3.117838 
1 1 1 14 8  18 f 117.936 1.4394 109.058  2.6613  105.194  3.5234  114.192  4.0610  115.813 1.9406 120.656 2.1470 -4.843307      2.894056 
1 1 1 14 8  19 o 179.027 1.5756 251.325  4.4221  251.485  5.9939  251.134  6.5506  179.054 2.1354 178.917 2.3355 0.1376343      3.164527 
1 1 1 14 8  20 o 100.074 1.4627 78.527   2.2948  74.117   3.0256  84.499   3.5211  97.209  1.9854 103.788 2.1641 -6.578972      2.936877 
1 1 1 14 8  21 o 174.199 1.5575 237.956  4.2534  245.127  5.8697  230.027  6.1720  176.773 2.1181 171.230 2.2993 5.543167       3.126180 
1 1 1 14 8  22 o 76.962  1.5294 46.447   1.8452  48.452   2.5250  44.148   2.7030  78.593  2.0494 75.013  2.2986 3.579483       3.079525 
1 1 1 14 8  23 o 244.002 1.9303 466.996  7.3837  468.778  10.419  465.198  10.465  244.384 2.7196 243.446 2.7422 0.9377899      3.862099 
1 1 1 14 8  24 o 149.563 1.6169 175.425  3.7911  175.709  5.0870  175.070  5.6857  149.653 2.1683 149.363 2.4282 0.2900391      3.255429 
1 1 1 14 8  25 o 31.493  2.8847 7.8525   1.4084  8.3523   1.8559  7.1741   2.1625  32.386  3.7234 29.814  4.7890 2.571419       6.066103 
1 1 1 14 8  26 o 113.021 1.6598 100.184  2.9408  97.992   3.6555  104.204  4.9510  111.758 2.0865 115.206 2.7413 -3.448296      3.445015 
1 1 1 14 8  27 o 26.075  3.6582 5.4494   1.4542  5.3464   1.8421  5.6199   2.3691  25.646  4.7571 26.159  5.9156 -0.5135021     7.591088 
1 1 1 14 8  28 o 39.094  2.8333 12.066   1.7246  13.216   2.3338  10.682   2.5598  40.829  3.6859 36.543  4.5681 4.286060       5.869761 
1 1 1 14 8  29 o 171.660 1.6209 231.133  4.3620  237.952  5.7291  221.726  6.7284  174.133 2.0987 168.044 2.5541 6.088806       3.305731 
1 1 1 14 8  30 o 37.235  2.5151 10.936   1.4595  9.7719   1.9172  12.542   2.2509  35.070  3.5354 39.759  3.6521 -4.689152      5.083017 
1 1 1 14 8  31 o 194.126 1.7980 295.682  5.4718  290.503  7.1877  302.820  8.4384  192.345 2.3837 196.325 2.7418 -3.979568      3.633104 
1 1 1 14 8  32 f 161.381 1.5807 204.312  3.9991  203.566  5.5908  205.095  5.7226  161.020 2.2148 161.618 2.2586 -0.5982513     3.163375 
1 1 1 14 8  33 o 137.166 1.5263 147.601  3.2819  152.403  4.6778  142.946  4.6057  139.321 2.1418 134.926 2.1775 4.395828       3.054261 
1 1 1 14 8  34 o 150.491 1.6248 177.708  3.8333  180.283  5.1425  174.487  5.7504  151.515 2.1650 149.018 2.4615 2.496857       3.278197 
1 1 1 14 8  35 o 213.546 1.7943 357.950  6.0067  353.393  7.6731  365.163  9.6532  212.084 2.3079 215.452 2.8580 -3.368347      3.673501 
1 1 1 14 8  36 o 130.594 1.5036 133.826  3.0783  129.673  3.8879  140.805  5.0396  128.506 1.9299 133.843 2.4019 -5.336746      3.081147 
1 1 1 14 8  37 o 61.821  1.5998 29.997   1.5504  29.977   1.9397  30.031   2.5800  61.777  2.0029 61.783  2.6637 -0.5558014E-02 3.332714 
1 1 1 14 8  38 o 64.172  1.5808 32.324   1.5903  29.739   1.9383  37.648   2.7814  61.525  2.0096 69.176  2.5648 -7.650784      3.258378 
1 1 1 14 8  39 o 172.499 1.5505 233.579  4.1929  229.454  5.1922  241.312  7.1089  170.899 1.9380 175.102 2.5897 -4.203384      3.234597 
1 1 1 14 8  40 o 81.620  1.7441 52.322   2.2316  52.827   2.7841  51.415   3.7323  81.969  2.1666 80.761  2.9480 1.208084       3.658519 
1 1 1 14 8  41 o 92.334  1.5211 66.935   2.2018  67.397   2.8326  66.229   3.4998  92.604  1.9512 91.731  2.4337 0.8735199      3.119303 
1 1 1 14 8  42 o 56.928  1.7825 25.463   1.5908  25.415   2.0308  25.539   2.5592  56.832  2.2794 56.834  2.8819 -0.1892090E-02 3.674314 
1 1 1 14 8  43 o 92.402  1.5500 67.051   2.2453  69.219   2.9017  63.817   3.5445  93.828  1.9727 90.006  2.5121 3.821541       3.194067 
1 1 1 14 8  44 o 29.877  2.6799 7.0943   1.2418  7.0432   1.8123  7.1396   1.7050  29.516  4.0214 29.782  3.7340 -0.2661877     5.487670 
1 1 1 14 8  45 o 28.755  2.9617 6.5993   1.3160  7.7908   1.7620  5.0959   1.9792  31.131  3.6816 24.748  5.2632 6.382589       6.423055 
1 1 1 14 8  46 o 78.732  1.5739 48.701   1.9426  49.318   2.8143  48.139   2.6848  79.130  2.2687 78.192  2.1902 0.9384308      3.153422 
1 1 1 14 8  47 o 71.632  1.5997 40.321   1.7964  39.176   2.5277  41.490   2.5535  70.515  2.2866 72.574  2.2444 -2.059944      3.204025 
1 1 1 14 8  48 o 88.010  1.4552 60.846   2.0077  59.020   2.6752  63.201   3.0378  86.600  1.9706 89.578  2.1632 -2.978447      2.926210 
1 1 1 14 8  49 o 109.365 1.5108 93.983   2.5902  90.958   3.2786  99.006   4.2249  107.503 1.9454 112.038 2.4055 -4.534760      3.093690 
1 1 1 14 8  50 o 73.470  1.5170 42.421   1.7473  43.564   2.3715  41.064   2.5841  74.376  2.0340 72.167  2.2841 2.209129       3.058488 
1 1 1 14 8  51 o 61.210  1.6464 29.463   1.5798  30.707   2.1511  28.006   2.3277  62.410  2.1987 59.552  2.4933 2.857311       3.324272 
1 1 1 14 8  52 o 21.372  3.5765 3.7321   1.1560  1.7291   1.5331  6.3711   1.7598  15.241  5.2712 27.923  4.1460 -12.68248      6.706339 
1 1 1 14 8  53 o 35.439  2.2294 9.9488   1.2322  11.072   1.6644  8.5871   1.8330  37.268  2.8710 32.614  3.6476 4.654408       4.641952 
1 1 1 14 8  54 o 38.400  2.1096 11.667   1.2651  10.860   1.7065  12.652   1.8850  36.870  2.9778 39.798  3.0444 -2.928425      4.258557 
1 1 1 14 8  55 o 40.035  1.9262 12.636   1.2089  13.548   1.7547  11.812   1.6680  41.248  2.7290 38.491  2.7830 2.756882       3.897754 
1 1 1 14 8  56 o 38.606  1.9931 11.792   1.2021  11.452   1.7138  12.120   1.6866  37.847  2.9109 38.976  2.7786 -1.128429      4.024160 
1 1 1 14 8  57 o 57.374  1.5995 25.923   1.4387  26.245   2.0557  25.613   2.0140  57.594  2.2769 56.900  2.2579 0.6938095      3.206577 
1 1 1 14 8  58 o 75.744  1.4233 45.150   1.6900  45.465   2.4253  44.853   2.3562  75.849  2.0397 75.350  1.9947 0.4989243      2.852927 
1 1 1 14 8  59 f 54.711  1.6784 23.604   1.4395  23.355   2.0138  23.864   2.0585  54.261  2.3674 54.841  2.3943 -0.5800018     3.367100 
1 1 1 14 8  60 o 36.224  2.0800 10.422   1.1763  11.875   1.6993  9.0857   1.6298  38.466  2.8381 33.527  3.1374 4.938267       4.230597 
1 1 1 14 8  61 o 48.032  1.8341 18.238   1.3810  21.433   2.2104  16.192   1.7688  51.734  2.7351 45.023  2.5161 6.711811       3.716429 
1 1 1 14 8  62 f 33.863  2.1418 9.1376   1.1312  10.433   1.6331  7.9433   1.5683  35.949  2.9231 31.226  3.2514 4.723343       4.372248 
1 1 1 14 8  63 o 21.366  3.4660 3.7916   1.1212  3.3191   1.6212  4.2247   1.5523  19.448  5.2117 22.157  4.6186 -2.709278      6.963730 
1 1 1 14 8  64 o 65.919  1.6800 34.373   1.7361  34.372   2.3578  34.373   2.5656  65.662  2.2906 65.560  2.4963 0.1019974      3.387983 
1 1 1 14 8  65 f 20.380  3.8094 3.5139   1.1723  5.5443   2.0841  2.5741   1.4179  24.930  5.4818 17.158  4.9789 7.771877       7.405355 
1 1 1 14 8  66 o 23.844  3.4106 4.7266   1.2385  9.1636   2.5954  3.4183   1.4094  32.264  5.3166 19.765  4.6298 12.49924       7.049914 
1 1 1 14 8  67 o 30.888  2.9024 7.7804   1.3889  8.6974   1.9589  6.8534   1.9696  32.155  3.9704 28.158  4.6223 3.996479       6.093431 
1 1 1 14 8  68 o 22.602  3.4883 4.2803   1.1962  3.5392   1.6008  5.2176   1.8002  19.874  5.1096 24.326  4.8901 -4.452477      7.072538 
1 1 1 14 8  69 o 21.847  3.3259 3.9875   1.1031  4.4250   1.3783  3.2079   1.8400  22.740  4.0129 18.760  5.7297 3.979761       6.995184 
1 1 1 14 8  70 o 19.615  4.7632 3.4289   1.4500  3.8414   1.9772  2.9489   2.1330  20.313  5.8753 18.079  6.2195 2.234272       8.555758 
1 1 1 14 8  71 o 9.0090  4.2000 -1.0839  1.4528  0.2090   2.1282  -2.2122  1.9880  12.853  5.6065 9.6691  4.6262 3.183422       7.268730 
1 1 1 14 8  72 o 45.682  2.8878 17.099   2.0575  19.334   2.7089  14.051   3.1630  48.001  3.6267 39.516  5.2347 8.485310       6.368319 
1 1 1 14 8  73 o 24.000  5.3221 5.3552   1.9499  5.0409   2.2998  6.1588   3.6775  22.601  6.2706 23.409  8.1601 -0.8079090     10.29112 
1 1 1 14 8  74 o 7.9184  3.9009 -3.1571  1.7199  -3.1528  2.0093  -3.1687  3.3264  8.8477  4.3296 12.102  5.8397 -3.254024      7.269630 
1 1 1 14 9  0  o 10.182  6.0513 0.8768   1.6863  0.8768   1.6863  0.8768   1.6863  10.182  6.0513 10.182  6.0513 -0.000000      0.000000 
1 1 1 14 9  1  o 182.890 1.5248 262.272  4.3719  259.590  6.1458  265.019  6.2204  181.922 2.1550 183.814 2.1587 -1.892151      3.050211 
1 1 1 14 9  2  o 252.120 1.8090 498.477  7.1498  491.553  9.9764  505.788  10.252  250.304 2.5424 253.899 2.5757 -3.595398      3.619127 
1 1 1 14 9  3  o 157.131 1.4565 193.590  3.5877  193.077  5.0714  194.105  5.0762  156.898 2.0618 157.315 2.0583 -0.4173431     2.913407 
1 1 1 14 9  4  o 185.775 1.5368 270.613  4.4758  271.932  6.3535  269.314  6.3062  186.194 2.1767 185.296 2.1709 0.8980255      3.074242 
1 1 1 14 9  5  o 62.405  1.6890 30.538   1.6524  30.881   2.3746  30.217   2.3008  62.740  2.4143 62.063  2.3647 0.6771202      3.379494 
1 1 1 14 9  6  o 231.476 1.7192 420.173  6.2386  409.259  8.6417  432.052  9.0157  228.401 2.4135 234.672 2.4507 -6.270828      3.439582 
1 1 1 14 9  7  o 110.264 1.4658 95.331   2.5338  94.049   3.4274  96.875   3.7626  109.505 1.9965 111.132 2.1597 -1.627296      2.941143 
1 1 1 14 9  8  o 356.598 2.4272 997.636  13.568  1023.48  20.560  977.695  18.059  360.986 3.6332 352.887 3.2645 8.098511       4.884331 
1 1 1 14 9  9  o 308.278 2.0794 745.416  10.049  734.640  14.031  756.765  14.399  305.941 2.9255 310.509 2.9581 -4.568115      4.160416 
1 1 1 14 9  10 o 208.921 1.7074 342.285  5.5921  338.212  8.2620  345.729  7.5965  207.617 2.5385 209.930 2.3083 -2.312744      3.431022 
1 1 1 14 9  11 o 194.355 1.5699 296.200  4.7831  297.953  6.7777  294.460  6.7510  194.891 2.2184 193.745 2.2227 1.146210       3.140345 
1 1 1 14 9  12 o 192.744 1.5717 291.312  4.7490  293.114  6.7337  289.529  6.6988  193.300 2.2221 192.115 2.2242 1.185669       3.144052 
1 1 1 14 9  13 o 56.228  1.8176 24.795   1.6021  23.489   2.1193  26.537   2.4475  54.714  2.4708 58.151  2.6849 -3.436169      3.648726 
1 1 1 14 9  14 o 138.914 1.4129 151.309  3.0769  151.158  4.3377  151.461  4.3653  138.822 1.9932 138.961 2.0039 -0.1386108     2.826353 
1 1 1 14 9  15 o 192.019 1.6435 289.144  4.9473  294.078  6.7952  283.578  7.2170  193.611 2.2388 190.109 2.4216 3.501877       3.297920 
1 1 1 14 9  16 o 134.713 1.6149 142.313  3.4105  141.292  4.5290  143.651  5.1834  134.205 2.1527 135.304 2.4437 -1.099457      3.256649 
1 1 1 14 9  17 o 259.471 2.2451 528.206  9.1321  532.611  11.625  521.106  14.758  260.478 2.8469 257.525 3.6557 2.952728       4.633406 
1 1 1 14 9  18 o 302.372 2.6773 717.625  12.691  727.625  17.002  705.042  19.072  304.312 3.5638 299.445 4.0628 4.867340       5.404397 
1 1 1 14 9  19 o 208.662 2.1054 341.578  6.8869  343.709  9.1373  338.775  10.479  209.244 2.7855 207.684 3.2186 1.560211       4.256607 
1 1 1 14 9  20 o 101.318 1.7947 80.516   2.8505  84.027   3.8451  76.232   4.2474  103.478 2.3703 98.542  2.7494 4.935844       3.630104 
1 1 1 14 9  21 o 54.292  2.0830 23.126   1.7729  25.107   2.4720  21.028   2.5440  56.549  2.7884 51.644  3.1574 4.905453       4.212460 
1 1 1 14 9  22 o 116.507 1.6939 106.466  3.0938  109.016  4.3547  103.867  4.3963  117.859 2.3569 115.037 2.4378 2.822052       3.390826 
1 1 1 14 9  23 o 235.878 2.1239 436.574  7.8539  430.039  10.937  443.533  11.286  233.986 2.9815 237.620 3.0296 -3.634705      4.250686 
1 1 1 14 9  24 o 166.543 1.8040 217.585  4.7098  213.465  6.5597  221.969  6.7665  164.894 2.5376 168.143 2.5670 -3.249146      3.609600 
1 1 1 14 9  25 o 123.728 1.6912 120.084  3.2804  118.009  4.5986  122.233  4.6809  122.608 2.3925 124.783 2.3929 -2.174973      3.383756 
1 1 1 14 9  26 o 106.275 1.5803 88.591   2.6328  88.944   3.5185  88.142   3.9688  106.457 2.1083 105.957 2.3893 0.4996872      3.186490 
1 1 1 14 9  27 o 131.706 1.5181 136.062  3.1344  136.988  4.0737  134.718  4.9072  132.122 1.9668 130.987 2.3897 1.135742       3.095013 
1 1 1 14 9  28 o 114.377 1.5689 102.624  2.8130  104.921  3.7831  99.784   4.2072  115.614 2.0873 112.724 2.3808 2.889771       3.166193 
1 1 1 14 9  29 o 90.674  1.5309 64.499   2.1762  63.461   2.7981  66.087   3.4621  89.917  1.9850 91.728  2.4076 -1.811676      3.120394 
1 1 1 14 9  30 o 73.113  1.5504 41.938   1.7770  40.209   2.3830  44.105   2.6671  71.560  2.1242 74.938  2.2703 -3.377945      3.109130 
1 1 1 14 9  31 o 68.835  1.5705 37.178   1.6947  37.341   2.1180  36.889   2.8254  68.966  1.9590 68.504  2.6309 0.4619293      3.280161 
1 1 1 14 9  32 o 27.134  2.7984 5.8522   1.1733  7.5932   1.5821  3.7245   1.7490  30.872  3.3212 21.252  5.2745 9.620218       6.233022 
1 1 1 14 9  33 o 80.737  1.4869 51.149   1.8820  51.569   2.3792  50.446   3.0763  81.043  1.8727 80.107  2.4496 0.9356003      3.083435 
1 1 1 14 9  34 o 114.287 1.3765 102.482  2.4661  99.228   3.1618  107.537  3.9406  112.419 1.7941 116.988 2.1487 -4.569244      2.799193 
1 1 1 14 9  35 o 42.478  1.9610 14.174   1.3058  14.564   1.7147  13.636   2.0149  42.951  2.5582 41.479  3.1215 1.471298       4.035875 
1 1 1 14 9  36 o 168.369 1.4893 222.503  3.9310  218.468  5.0745  228.557  6.2160  166.757 1.9411 170.480 2.3259 -3.722366      3.029480 
1 1 1 14 9  37 o 82.062  1.4324 52.855   1.8428  52.092   2.4016  53.947   2.8736  81.428  1.8814 82.829  2.2130 -1.400475      2.904674 
1 1 1 14 9  38 o 75.130  1.4575 44.308   1.7166  43.703   2.2275  45.193   2.6936  74.576  1.9053 75.797  2.2669 -1.220757      2.961260 
1 1 1 14 9  39 f 85.204  1.4868 56.997   1.9859  58.566   2.7082  55.171   2.9207  86.312  2.0015 83.744  2.2247 2.567963       2.992581 
1 1 1 14 9  40 o 32.894  2.5234 8.5727   1.2913  8.3582   1.7734  8.8149   1.8841  32.305  3.5608 33.161  3.6867 -0.8563576     5.125565 
1 1 1 14 9  41 o 89.155  1.4719 62.416   2.0573  59.183   2.7382  66.606   3.1174  86.747  2.0135 92.004  2.1614 -5.256477      2.953918 
1 1 1 14 9  42 o 23.797  3.1628 4.5542   1.1507  5.0474   1.5973  4.0223   1.6590  24.847  4.2538 22.001  4.9320 2.845858       6.513038 
1 1 1 14 9  43 o 19.715  3.8365 3.1906   1.1431  3.5175   1.5600  2.8116   1.6798  20.555  4.9088 18.512  5.4329 2.043213       7.322084 
1 1 1 14 9  44 o 44.697  2.0193 15.722   1.4149  15.839   1.7941  15.529   2.3013  44.737  2.5689 44.147  3.3502 0.5901680      4.221686 
1 1 1 14 9  45 o 23.313  3.2003 4.3821   1.1387  6.2687   1.5714  2.2957   1.6525  27.855  3.6892 17.019  5.4637 10.83587       6.592593 
1 1 1 14 9  46 o 22.671  3.6505 4.1843   1.2534  2.7126   1.5888  6.6090   2.0394  18.139  5.2726 28.339  4.7591 -10.20063      7.102779 
1 1 1 14 9  47 f 52.756  1.8557 21.899   1.5347  23.244   1.9874  19.913   2.4156  54.291  2.3351 50.044  3.0943 4.247482       3.876536 
1 1 1 14 9  48 o 33.963  2.4939 9.1552   1.3186  8.2322   1.6696  10.685   2.1494  32.025  3.3766 36.422  3.8214 -4.397488      5.099430 
1 1 1 14 9  49 o 9.8401  4.1947 0.0170   1.1392  -0.3914  1.6975  0.3516   1.5366  11.261  4.9571 12.012  4.9796 -0.7505264     7.026343 
1 1 1 14 9  50 o 50.559  1.8410 20.125   1.4591  20.593   2.2106  19.763   1.9424  50.927  2.7794 50.014  2.4774 0.9137993      3.723243 
1 1 1 14 9  51 o 56.848  1.7208 25.435   1.5335  22.436   2.2671  27.964   2.0821  53.160  2.7296 59.524  2.2313 -6.364124      3.525545 
1 1 1 14 9  52 o 29.717  2.6615 7.0484   1.2268  5.9935   1.7939  7.9750   1.6814  26.952  4.3973 31.439  3.4693 -4.487007      5.601066 
1 1 1 14 9  53 o 8.3404  3.7568 -0.4916  1.0346  -0.1864  1.4536  -0.8051  1.4731  10.660  4.6421 9.7476  4.4275 0.9121428      6.415011 
1 1 1 14 9  54 o 14.511  4.3712 1.7239   1.0763  3.0221   1.5161  0.4050   1.5282  18.898  5.0290 12.020  4.9730 6.878365       7.072629 
1 1 1 14 9  55 o 54.561  1.6764 23.454   1.4339  22.566   2.0307  24.337   2.0250  53.368  2.4272 55.446  2.3297 -2.078655      3.364335 
1 1 1 14 9  56 o 29.392  2.5850 6.9116   1.1790  7.5252   1.6947  6.3363   1.6412  30.393  3.6286 27.779  3.8741 2.613400       5.308048 
1 1 1 14 9  57 f 40.412  1.9838 12.909   1.2568  15.382   1.8251  10.679   1.7331  43.888  2.6653 36.425  3.0636 7.463627       4.060767 
1 1 1 14 9  58 o 23.469  3.2700 4.5023   1.1704  4.0444   1.6036  5.0242   1.7120  21.746  4.8296 24.358  4.6531 -2.611181      6.706457 
1 1 1 14 9  59 o 35.508  2.2867 10.053   1.2661  10.782   1.6593  9.0370   1.9589  36.588  2.9171 33.147  3.8410 3.441517       4.823143 
1 1 1 14 9  60 o 14.166  4.3569 1.6677   1.0618  1.6612   1.5079  1.6741   1.4954  14.725  5.2178 14.739  5.1990 -0.1394653E-01 7.365775 
1 1 1 14 9  61 o 56.342  1.6554 25.086   1.4621  24.574   2.1418  25.534   2.0009  55.490  2.4621 56.646  2.2532 -1.155445      3.337536 
1 1 1 14 9  62 o 11.760  4.3418 0.9564   1.0575  2.2430   1.5436  -0.1815  1.4517  16.265  5.2864 10.470  4.5970 5.795372       7.005581 
1 1 1 14 9  63 o 51.895  1.7095 21.323   1.3908  21.878   2.0255  20.828   1.9130  52.282  2.4713 51.046  2.3906 1.236622       3.438380 
1 1 1 14 9  64 o 8.4649  3.8345 -0.5053  1.0957  0.0648   1.7057  -0.9058  1.4298  11.660  5.0531 9.2377  4.2577 2.422061       6.607704 
1 1 1 14 9  65 o 47.398  1.8745 17.848   1.3929  16.675   2.0680  18.821   1.8844  45.296  2.9279 48.366  2.4938 -3.070107      3.846007 
1 1 1 14 9  66 o 31.250  2.6366 7.9190   1.2796  5.8051   1.9245  9.5941   1.7132  25.641  4.9671 34.139  3.2398 -8.498093      5.930296 
1 1 1 14 9  67 o 14.272  4.8040 1.6999   1.2718  2.9826   2.4359  1.2193   1.4911  18.369  6.6187 13.320  5.1031 5.049886       8.357558 
1 1 1 14 9  68 o 27.520  2.7260 6.1813   1.1606  10.853   1.9729  3.7092   1.4352  36.102  3.5312 20.497  4.5818 15.60519       5.784665 
1 1 1 14 9  69 o 45.068  2.6674 16.491   1.8761  19.416   3.2743  15.061   2.2892  47.511  4.4479 42.565  3.4606 4.946743       5.635583 
1 1 1 14 9  70 o 20.402  4.6754 3.7286   1.4634  2.8406   2.1954  4.4386   1.9631  17.679  6.2926 21.731  5.6939 -4.051973      8.486271 
1 1 1 14 9  71 o 19.957  4.6224 3.5873   1.4178  1.8173   2.0803  5.1222   1.9373  15.328  5.9853 23.462  5.3816 -8.134196      8.048977 
1 1 1 14 9  72 o 9.7613  4.4316 -0.5056  1.4736  -1.4845  2.0144  0.6211   2.1612  10.300  4.8476 13.284  5.7224 -2.984556      7.499738 
1 1 1 14 10 0  o 7.7319  5.1871 -0.7008  1.7660  -0.7008  1.7660  -0.7008  1.7660  7.7319  5.1871 7.7319  5.1871 -0.000000      0.000000 
1 1 1 14 10 1  o 192.909 1.5758 291.821  4.7655  287.447  6.6625  296.403  6.8192  191.416 2.2203 194.374 2.2379 -2.957977      3.152423 
1 1 1 14 10 2  o 62.281  1.7062 30.420   1.6659  30.950   2.3485  29.883   2.3634  62.806  2.3853 61.712  2.4429 1.094368       3.414307 
1 1 1 14 10 3  o 159.816 1.4775 200.277  3.7018  200.904  5.2306  199.648  5.2395  160.035 2.0849 159.533 2.0950 0.5015717      2.955656 
1 1 1 14 10 4  o 99.110  1.4419 77.022   2.2402  81.970   3.2358  72.467   3.1046  102.225 2.0192 96.116  2.0604 6.109604       2.884854 
1 1 1 14 10 5  o 319.982 2.2435 803.279  11.254  796.810  16.565  808.825  15.337  318.520 3.3174 320.962 3.0482 -2.441864      4.505170 
1 1 1 14 10 6  o 224.326 1.8693 394.691  6.5738  390.580  9.1959  398.988  9.4009  223.085 2.6295 225.471 2.6597 -2.385040      3.740038 
1 1 1 14 10 7  o 258.218 2.4078 523.190  9.7468  521.773  14.745  524.290  12.989  257.691 3.6501 258.384 3.2067 -0.6928711     4.858613 
1 1 1 14 10 8  o 35.327  3.0203 9.8703   1.6566  9.8712   2.3597  9.8693   2.3263  35.156  4.3762 35.163  4.3104 -0.6206512E-02 6.142553 
1 1 1 14 10 9  o 128.231 1.7294 128.961  3.4765  133.847  5.0042  124.402  4.8332  130.601 2.4442 125.909 2.4486 4.692276       3.459724 
1 1 1 14 10 10 o 118.103 1.9905 109.415  3.6854  119.285  6.6561  105.051  4.4257  123.221 3.4457 115.702 2.4400 7.519409       4.222155 
1 1 1 14 10 11 f 101.350 1.9778 80.576   3.1425  81.609   4.4288  79.529   4.4596  101.960 2.7708 100.649 2.8264 1.310692       3.957998 
1 1 1 14 10 12 o 196.403 2.2378 302.661  6.8902  306.859  9.7690  298.505  9.7195  197.663 3.1526 194.951 3.1803 2.712570       4.478087 
1 1 1 14 10 13 o 75.295  1.9299 44.473   2.2781  42.324   3.1934  46.699   3.2507  73.424  2.7744 77.129  2.6885 -3.705269      3.863276 
1 1 1 14 10 14 o 177.115 1.6615 246.029  4.6132  248.720  6.5637  243.401  6.4852  178.029 2.3518 176.115 2.3489 1.913559       3.323948 
1 1 1 14 10 15 o 66.716  1.7408 34.912   1.8206  33.497   2.5525  36.378   2.5977  65.328  2.4923 68.081  2.4339 -2.753082      3.483627 
1 1 1 14 10 16 o 29.419  3.1313 6.8755   1.4220  6.5618   2.0037  7.1937   2.0183  28.502  4.6443 29.908  4.4394 -1.405712      6.424808 
1 1 1 14 10 17 o 173.558 1.5789 236.245  4.2960  244.927  5.9836  227.010  6.1717  176.673 2.1604 170.075 2.3148 6.598648       3.166324 
1 1 1 14 10 18 o 112.620 1.5410 99.473   2.7206  98.110   3.4788  101.618  4.3653  111.825 1.9844 113.778 2.4474 -1.953125      3.150838 
1 1 1 14 10 19 o 109.316 1.4724 93.720   2.5232  94.612   3.4172  92.651   3.7416  109.811 1.9851 108.655 2.1966 1.155991       2.960690 
1 1 1 14 10 20 o 38.958  2.2861 11.954   1.3901  12.079   1.8491  11.791   2.1081  39.090  3.0413 38.563  3.5262 0.5278320      4.656575 
1 1 1 14 10 21 o 81.897  1.5321 52.607   1.9670  50.235   2.6030  55.764   3.0032  80.008  2.0753 84.285  2.2729 -4.277519      3.077806 
1 1 1 14 10 22 o 85.380  1.5263 57.179   2.0430  58.734   2.7718  55.330   3.0229  86.510  2.0438 83.952  2.2968 2.557617       3.074546 
1 1 1 14 10 23 o 117.357 1.4460 108.026  2.6602  107.092  3.5847  109.171  3.9689  116.817 1.9575 117.931 2.1468 -1.114197      2.905218 
1 1 1 14 10 24 o 158.509 1.5232 197.093  3.7849  202.073  5.1839  191.407  5.5392  160.448 2.0609 156.133 2.2631 4.314468       3.060870 
1 1 1 14 10 25 f 32.073  2.6051 8.1355   1.2985  8.7316   1.7801  7.4576   1.8983  33.124  3.4801 30.489  4.0734 2.634792       5.357612 
1 1 1 14 10 26 o 22.495  3.7186 4.0917   1.2655  4.1707   1.6434  3.9765   1.9837  22.547  4.7967 21.981  5.7066 0.5664501      7.454789 
1 1 1 14 10 27 o 71.708  1.5702 40.346   1.7651  43.506   2.4293  36.812   2.5689  74.435  2.0819 68.450  2.3940 5.985146       3.172599 
1 1 1 14 10 28 o 68.532  1.6585 36.859   1.7818  36.166   2.4646  37.618   2.5789  67.845  2.3172 69.190  2.3776 -1.344521      3.320024 
1 1 1 14 10 29 o 67.576  1.6843 35.842   1.7843  35.168   2.5097  36.531   2.5374  66.892  2.3933 68.177  2.3741 -1.285072      3.371048 
1 1 1 14 10 30 o 48.469  1.8806 18.447   1.4289  18.940   1.9577  17.886   2.0905  49.008  2.5571 47.590  2.8145 1.418495       3.802663 
1 1 1 14 10 31 o 72.518  1.6251 41.280   1.8475  39.005   2.3433  45.018   3.0033  70.455  2.1216 75.652  2.5323 -5.196823      3.303630 
1 1 1 14 10 32 o 37.991  2.2112 11.384   1.3112  10.969   1.7926  11.862   1.9230  37.176  3.1042 38.655  3.2022 -1.479565      4.459823 
1 1 1 14 10 33 o 21.595  3.5895 3.7810   1.1725  3.0374   1.5615  4.7422   1.7754  19.193  5.1020 23.998  4.8853 -4.805180      7.063772 
1 1 1 14 10 34 o 134.201 1.4731 141.371  3.0991  145.434  4.2503  136.760  4.5286  136.034 1.9931 131.879 2.1905 4.154938       2.961489 
1 1 1 14 10 35 o 102.678 1.3949 82.751   2.2454  82.159   2.9416  83.577   3.4756  102.258 1.8350 103.092 2.1505 -0.8330688     2.827024 
1 1 1 14 10 36 o 9.0965  3.9517 -0.1639  1.0482  -0.5630  1.3554  0.4300   1.6534  9.7194  4.3448 12.627  5.1931 -2.907137      6.770988 
1 1 1 14 10 37 o 14.305  4.5903 1.5939   1.1665  0.3284   1.5883  3.0761   1.7188  12.206  5.0615 19.317  5.4429 -7.110976      7.432670 
1 1 1 14 10 38 o 133.993 1.4849 140.990  3.1192  141.985  4.2569  139.836  4.5837  134.360 2.0210 133.299 2.1935 1.060898       2.982587 
1 1 1 14 10 39 o 43.790  1.9983 15.083   1.3718  14.722   1.8821  15.493   2.0035  43.100  2.8007 44.201  2.9077 -1.101181      4.037160 
1 1 1 14 10 40 o 46.051  1.9382 16.680   1.3993  18.820   1.9248  14.282   2.0377  48.792  2.5251 42.390  3.0875 6.402409       3.988614 
1 1 1 14 10 41 o 30.362  2.5922 7.3251   1.2220  7.1454   1.6631  7.5360   1.8016  29.789  3.6369 30.558  3.8460 -0.7684479     5.293221 
1 1 1 14 10 42 o 43.247  1.9829 14.719   1.3443  14.354   1.8044  15.174   2.0153  42.549  2.7194 43.706  2.9588 -1.157158      4.018694 
1 1 1 14 10 43 o 19.622  4.1005 3.1824   1.2207  2.2211   1.5305  4.8632   2.0238  16.658  5.2487 24.071  5.4855 -7.412178      7.592059 
1 1 1 14 10 44 o 13.013  4.4461 1.2545   1.0895  1.4081   1.4777  1.0715   1.6127  14.305  5.1550 13.805  5.3028 0.5002556      7.395522 
1 1 1 14 10 45 o 66.465  1.5972 34.730   1.6642  34.271   2.2405  35.294   2.4855  65.943  2.1673 66.885  2.3705 -0.9414215     3.211910 
1 1 1 14 10 46 o 18.945  3.9410 2.9683   1.1323  2.9636   1.5329  2.9739   1.6798  18.831  5.0770 18.899  5.4003 -0.6856155E-01 7.412067 
1 1 1 14 10 47 o 37.888  2.1245 11.352   1.2568  11.256   1.7744  11.449   1.7804  37.555  3.0399 37.881  3.0233 -0.3251877     4.287398 
1 1 1 14 10 48 o 52.248  1.8281 21.494   1.4974  21.691   2.0009  21.242   2.2575  52.396  2.4359 51.713  2.7951 0.6829185      3.707570 
1 1 1 14 10 49 o 67.902  1.5960 36.272   1.6990  38.356   2.3291  33.902   2.4838  69.727  2.1307 65.493  2.4192 4.234100       3.223725 
1 1 1 14 10 50 o 15.415  4.4453 1.9635   1.1334  2.9074   1.5911  0.9911   1.6149  18.604  5.2349 13.553  5.2786 5.051147       7.434218 
1 1 1 14 10 51 o 67.927  1.7083 36.338   1.8191  39.492   2.5649  33.146   2.5803  70.674  2.3151 64.689  2.5444 5.984528       3.439966 
1 1 1 14 10 52 o 20.673  3.7892 3.5336   1.1828  3.1314   1.5970  4.0223   1.7602  19.211  5.1830 21.729  5.2305 -2.517235      7.363571 
1 1 1 14 10 53 o 13.604  4.5960 1.4247   1.1641  0.5324   1.7027  2.2079   1.5952  12.781  5.2649 16.512  5.3742 -3.731391      7.523361 
1 1 1 14 10 54 o 45.981  1.9756 16.703   1.4241  16.239   2.1812  17.047   1.8800  44.978  3.1126 46.249  2.6036 -1.271542      4.057984 
1 1 1 14 10 55 o 82.893  1.4700 54.113   1.9102  51.849   2.6909  56.413   2.7122  80.935  2.1209 84.450  2.0486 -3.514931      2.948717 
1 1 1 14 10 56 o 34.731  2.3124 9.6147   1.2518  10.379   1.7977  8.8949   1.7442  35.814  3.2368 33.075  3.4129 2.739491       4.703763 
1 1 1 14 10 57 o 40.568  2.0443 13.070   1.2960  13.994   1.8849  12.242   1.7848  41.713  2.9005 38.987  2.9418 2.725571       4.131278 
1 1 1 14 10 58 o 19.141  4.0528 3.1041   1.1782  3.6418   1.7640  2.6710   1.5831  20.372  5.4264 17.616  5.3002 2.755703       7.585352 
1 1 1 14 10 59 o 28.119  2.8715 6.4121   1.2481  7.7372   1.7360  4.9945   1.7955  30.603  3.6932 24.007  4.9358 6.595201       6.164559 
1 1 1 14 10 60 o 49.430  1.9148 19.380   1.4838  18.836   2.1188  19.904   2.0785  48.328  2.8088 49.748  2.6750 -1.420567      3.878776 
1 1 1 14 10 61 o 38.836  2.2261 12.064   1.3497  12.803   1.9668  11.406   1.8555  39.601  3.1952 37.362  3.1988 2.239094       4.521224 
1 1 1 14 10 62 o 30.424  2.5764 7.4823   1.2172  8.1177   1.7945  6.9409   1.6566  31.194  3.7444 28.810  3.7574 2.383768       5.304583 
1 1 1 14 10 63 o 24.851  3.2292 5.1103   1.2283  3.2792   1.6700  7.2685   1.8130  19.086  5.3605 29.304  4.0553 -10.21758      6.721638 
1 1 1 14 10 64 o 31.457  2.6709 8.0334   1.3047  10.203   1.8136  5.7061   1.8782  35.159  3.3302 25.448  4.8857 9.711035       5.912675 
1 1 1 14 10 65 o 21.642  3.6041 3.9577   1.1798  5.2695   1.7051  2.7529   1.6340  24.548  4.5998 17.514  5.4080 7.033258       7.099643 
1 1 1 14 10 66 o 19.028  4.2157 3.1597   1.2244  2.9967   1.7065  3.3325   1.7578  18.149  5.5124 19.064  5.5470 -0.9150677     7.820201 
1 1 1 14 10 67 o 45.598  2.2225 16.667   1.5887  16.614   1.9983  16.758   2.6189  45.132  2.8389 44.671  3.7750 0.4604034      4.723348 
1 1 1 14 10 68 o 41.879  2.1127 14.079   1.3825  13.055   1.9790  15.055   1.9323  39.720  3.2054 42.876  2.8916 -3.155510      4.316963 
1 1 1 14 10 69 o 19.111  5.4255 3.4157   1.7012  4.7572   2.5682  2.3668   2.2709  21.723  6.7918 16.632  6.3154 5.090149       9.274257 
1 1 1 14 10 70 o 15.784  5.2706 2.2573   1.5307  3.8610   2.4372  1.2126   1.9671  19.626  6.6501 13.916  5.6870 5.710495       8.750208 
1 1 1 14 10 71 o 15.132  5.5075 2.0186   1.6928  0.1859   3.1790  2.7438   1.9999  14.475  6.5466 16.986  6.0101 -2.510408      8.887034 
1 1 1 14 11 0  o 50.958  6.5423 21.416   4.9901  21.416   4.9901  21.416   4.9901  50.958  6.5423 50.958  6.5423 -0.000000      0.000000 
1 1 1 14 11 1  f 20.847  6.7777 3.3256   2.5374  7.4617   3.9747  0.4807   3.2965  30.138  8.1962 17.388  7.2579 12.74985       10.94779 
1 1 1 14 11 2  o 21.981  7.4724 3.5488   3.0773  2.6761   4.2878  4.4759   4.4193  22.427  8.6384 25.290  8.9357 -2.862309      12.42857 
1 1 1 14 11 3  f 147.331 2.5405 170.390  5.8678  170.182  11.244  170.468  6.8786  146.956 4.8808 147.325 2.9783 -0.3696594     5.717761 
1 1 1 14 11 4  o 125.193 1.9136 122.954  3.7557  122.241  5.8091  123.466  4.9230  124.757 2.9702 125.416 2.5039 -0.6596756     3.884827 
1 1 1 14 11 5  o 148.496 1.9486 172.993  4.5361  169.150  6.9040  175.912  6.0170  146.750 3.0010 149.696 2.5640 -2.945923      3.947186 
1 1 1 14 11 6  o 152.124 1.7168 181.515  4.0942  187.379  5.6520  175.042  5.9389  154.517 2.3333 149.326 2.5370 5.190475       3.446824 
1 1 1 14 11 7  o 68.337  1.7966 36.633   1.9247  37.822   2.7603  35.507   2.6850  69.412  2.5367 67.253  2.5467 2.158913       3.594549 
1 1 1 14 11 8  o 78.526  1.6848 48.366   2.0740  48.340   2.9156  48.392   2.9508  78.479  2.3698 78.520  2.3972 -0.4096222E-01 3.370884 
1 1 1 14 11 9  o 74.520  1.6388 43.556   1.9145  44.200   2.6044  42.800   2.8238  75.048  2.2137 73.840  2.4394 1.207817       3.294115 
1 1 1 14 11 10 o 129.253 1.4947 131.023  3.0287  128.940  4.0329  133.716  4.5866  128.193 2.0068 130.530 2.2415 -2.336487      3.008550 
1 1 1 14 11 11 o 88.242  1.5451 61.072   2.1373  62.885   2.8925  58.891   3.1721  89.521  2.0611 86.619  2.3361 2.902473       3.115320 
1 1 1 14 11 12 o 86.550  1.5508 58.753   2.1042  58.499   2.8306  59.066   3.1459  86.340  2.0913 86.747  2.3133 -0.4066315     3.118469 
1 1 1 14 11 13 o 117.944 1.4180 109.097  2.6218  107.344  3.6924  110.879  3.7233  116.961 2.0138 118.872 1.9980 -1.911423      2.836791 
1 1 1 14 11 14 o 114.825 1.4639 103.408  2.6352  103.274  3.9312  103.518  3.5511  114.709 2.1861 114.858 1.9722 -0.1491547     2.944268 
1 1 1 14 11 15 o 30.754  2.6693 7.4843   1.2742  5.7351   1.7604  9.4087   1.8465  26.634  4.3677 34.414  3.4701 -7.779118      5.578331 
1 1 1 14 11 16 o 79.880  1.4833 50.048   1.8575  48.549   2.6219  51.559   2.6320  78.648  2.1266 81.051  2.0714 -2.403488      2.968693 
1 1 1 14 11 17 o 115.574 1.4000 104.764  2.5365  101.739  3.5470  107.930  3.6287  113.858 1.9872 117.272 1.9738 -3.414001      2.800885 
1 1 1 14 11 18 o 134.708 1.4120 142.330  2.9819  144.939  4.2653  139.835  4.1703  135.892 2.0022 133.479 1.9930 2.413452       2.824990 
1 1 1 14 11 19 o 52.188  1.7661 21.372   1.4449  20.219   2.0014  22.626   2.0882  50.733  2.5164 53.670  2.4819 -2.936718      3.534411 
1 1 1 14 11 20 o 60.547  1.7156 28.766   1.6284  29.996   2.2210  27.337   2.3945  61.801  2.2924 58.983  2.5896 2.818325       3.458502 
1 1 1 14 11 21 o 76.487  1.5623 45.899   1.8733  46.220   2.5121  45.497   2.8116  76.725  2.0886 76.105  2.3566 0.6199112      3.148900 
1 1 1 14 11 22 o 254.099 1.9189 506.859  7.6439  498.177  10.192  518.023  11.556  251.759 2.5823 256.642 2.8724 -4.882523      3.862525 
1 1 1 14 11 23 o 67.500  1.6265 35.755   1.7211  36.053   2.3117  35.383   2.5780  67.750  2.1765 67.100  2.4508 0.6507645      3.277738 
1 1 1 14 11 24 o 56.856  1.7443 25.374   1.5547  26.337   2.1145  24.241   2.2938  57.893  2.3298 55.522  2.6353 2.371120       3.517517 
1 1 1 14 11 25 o 223.194 1.7772 391.079  6.2185  403.842  8.6315  377.305  8.9665  226.654 2.4292 219.031 2.6113 7.622757       3.566545 
1 1 1 14 11 26 o 76.891  1.5426 46.400   1.8594  47.495   2.4968  45.036   2.7862  77.756  2.0483 75.691  2.3481 2.065315       3.115930 
1 1 1 14 11 27 o 66.793  1.6033 35.019   1.6789  35.165   2.2567  34.839   2.5124  66.894  2.1519 66.562  2.4077 0.3319473      3.229236 
1 1 1 14 11 28 o 107.580 1.5222 90.841   2.5672  94.546   3.6616  87.259   3.6003  109.680 2.1295 105.362 2.1797 4.318138       3.047319 
1 1 1 14 11 29 o 66.321  1.6255 34.534   1.6900  34.114   2.2639  35.063   2.5399  65.872  2.1923 66.759  2.4269 -0.8877411     3.270522 
1 1 1 14 11 30 o 70.220  1.5739 38.713   1.7326  38.361   2.3302  39.148   2.5909  69.853  2.1279 70.543  2.3429 -0.6900635     3.164961 
1 1 1 14 11 31 o 133.001 1.4852 138.869  3.0966  136.389  4.1280  142.061  4.6830  131.725 1.9990 134.392 2.2228 -2.666931      2.989434 
1 1 1 14 11 32 o 57.785  1.7136 26.230   1.5523  26.618   2.1060  25.769   2.2971  58.159  2.3098 57.198  2.5618 0.9613609      3.449342 
1 1 1 14 11 33 f 38.301  2.1902 11.579   1.3096  11.220   1.7660  12.017   1.9520  37.582  3.0231 38.867  3.2330 -1.284428      4.426224 
1 1 1 14 11 34 f 39.424  2.4292 12.288   1.4940  14.820   2.2183  10.186   2.0211  43.166  3.3033 35.671  3.6666 7.495308       4.935107 
1 1 1 14 11 35 o 59.093  1.8250 27.450   1.6906  28.888   2.4728  26.188   2.3166  60.531  2.6059 57.638  2.5638 2.893112       3.655667 
1 1 1 14 11 36 o 97.142  1.5587 74.130   2.3736  73.881   3.3754  74.374   3.3386  96.869  2.2227 97.198  2.1911 -0.3283234     3.121090 
1 1 1 14 11 37 o 46.907  2.0127 17.313   1.4801  16.641   2.0879  17.992   2.0984  45.800  2.9232 47.649  2.8218 -1.849243      4.062960 
1 1 1 14 11 38 f 44.969  2.1434 15.923   1.5110  14.654   2.1462  17.170   2.1276  42.902  3.2145 46.515  2.9328 -3.612720      4.351331 
1 1 1 14 11 39 o 29.762  2.8702 7.0655   1.3226  8.5812   1.8749  5.5642   1.8660  32.650  3.7299 25.958  4.7609 6.691896       6.047976 
1 1 1 14 11 40 o 35.285  2.4544 9.8693   1.3492  9.4909   1.8677  10.282   1.9512  34.396  3.5131 35.813  3.5209 -1.417248      4.973747 
1 1 1 14 11 41 o 35.669  2.4089 10.083   1.3391  10.649   1.9140  9.5400   1.8742  36.473  3.3862 34.476  3.5169 1.997337       4.882073 
1 1 1 14 11 42 o 71.614  1.6703 40.330   1.8752  38.033   2.5760  42.920   2.7348  69.430  2.3668 73.757  2.3652 -4.326973      3.346027 
1 1 1 14 11 43 o 84.506  1.5912 56.149   2.1080  54.467   2.9520  57.899   3.0111  83.099  2.2660 85.683  2.2417 -2.583542      3.187500 
1 1 1 14 11 44 o 79.219  1.6149 49.355   2.0056  51.016   2.8721  47.774   2.8018  80.409  2.2785 77.808  2.2970 2.600670       3.235377 
1 1 1 14 11 45 o 14.661  4.7393 1.6956   1.2417  3.4037   1.7530  -0.0245  1.7591  20.101  5.4334 12.050  5.1764 8.051040       7.504452 
1 1 1 14 11 46 o 55.781  1.7580 24.496   1.5373  25.761   2.3034  23.480   2.0644  57.061  2.5749 54.507  2.4160 2.554146       3.530918 
1 1 1 14 11 47 f 24.019  3.3627 4.6830   1.2315  5.7060   1.8049  3.7921   1.6845  26.232  4.5542 21.176  5.1286 5.056454       6.858833 
1 1 1 14 11 48 o 66.249  1.6444 34.550   1.7078  33.237   2.5232  35.661   2.3200  64.800  2.4839 67.192  2.2025 -2.391640      3.319735 
1 1 1 14 11 49 o 46.294  2.0715 16.921   1.5033  16.120   2.1360  17.708   2.1162  44.896  3.0530 47.116  2.8789 -2.219471      4.196302 
1 1 1 14 11 50 o 39.083  2.1828 12.113   1.3321  12.653   2.0071  11.689   1.7808  39.671  3.2560 38.194  2.9983 1.477322       4.426164 
1 1 1 14 11 51 f 49.029  1.9783 18.985   1.5205  19.351   2.3644  18.728   1.9856  49.142  3.0848 48.488  2.6219 0.6535645      4.048470 
1 1 1 14 11 52 o 29.654  2.9263 7.0804   1.3426  7.4194   2.0480  6.8248   1.7780  29.843  4.5189 28.764  4.0555 1.078941       6.071897 
1 1 1 14 11 53 o 30.544  2.8465 7.5068   1.3473  9.6778   2.0538  5.8667   1.7851  34.364  3.8804 26.456  4.4630 7.908628       5.913992 
1 1 1 14 11 54 o 31.021  2.8900 7.7578   1.3892  7.2500   2.0646  8.1780   1.8779  29.353  4.6411 31.518  3.8828 -2.165194      6.051112 
1 1 1 14 11 55 o 45.378  2.3043 16.406   1.6338  17.776   2.1961  14.707   2.4451  46.982  2.9974 42.410  3.7151 4.571552       4.773503 
1 1 1 14 11 56 o 57.612  2.0454 26.326   1.8474  24.431   2.7710  27.842   2.4786  54.933  3.2319 59.000  2.6797 -4.067028      4.198377 
1 1 1 14 11 57 o 11.071  4.5538 0.4388   1.2714  0.7848   2.1058  0.2403   1.5950  14.052  5.8276 11.711  4.9771 2.340733       7.663738 
1 1 1 14 11 58 o 32.277  2.7420 8.4251   1.3743  5.0124   2.1655  10.726   1.7782  23.541  5.8842 36.272  3.1588 -12.73128      6.678397 
1 1 1 14 11 59 o 13.998  4.8242 1.5728   1.2835  2.7073   1.8302  0.4747   1.8006  17.605  5.7578 12.648  5.3270 4.957155       7.844059 
1 1 1 14 11 60 o 17.969  4.6099 2.8326   1.3049  0.7584   1.9936  4.3874   1.7261  13.583  5.6548 22.227  5.0663 -8.644214      7.592403 
1 1 1 14 11 61 o 26.406  3.6258 5.8389   1.4613  5.1841   2.3413  6.2568   1.8703  23.519  6.2452 26.854  4.6087 -3.334675      7.761611 
1 1 1 14 11 62 o 30.921  3.0759 7.8559   1.4712  8.1058   2.2574  7.6714   1.9397  30.402  4.9033 29.950  4.2505 0.4516582      6.489168 
1 1 1 14 11 63 o 35.486  2.7213 10.239   1.5023  13.919   2.5580  8.3016   1.8561  40.548  4.0796 31.364  3.8562 9.183741       5.613677 
1 1 1 14 11 64 o 18.768  4.6611 3.1356   1.3652  2.2260   2.3150  3.6205   1.6904  16.652  6.3636 19.908  5.3162 -3.255400      8.291992 
1 1 1 14 11 65 o 55.181  2.0705 24.343   1.7911  23.484   2.7745  24.957   2.3453  53.284  3.3384 55.496  2.6957 -2.212360      4.290922 
1 1 1 14 11 66 o 19.933  4.4535 3.5263   1.3565  3.2855   2.0446  3.7156   1.8131  18.685  6.0845 19.936  5.5806 -1.251013      8.256186 
1 1 1 14 11 67 o 28.767  2.9003 6.8309   1.2901  6.3149   1.7826  7.3984   1.8694  26.814  4.3930 29.184  4.2076 -2.370237      6.082932 
1 1 1 14 11 68 o 26.380  4.3949 6.1563   1.7536  5.0533   2.1948  8.1035   2.9161  22.715  6.0538 28.385  6.6669 -5.670301      9.005364 
1 1 1 14 11 69 o 29.483  3.5869 7.4322   1.6237  10.077   2.2190  4.3833   2.3823  33.824  4.2806 20.636  6.5533 13.18771       7.827497 
1 1 1 14 12 0  o 24.764  5.2944 5.4286   1.8054  5.4286   1.8054  5.4286   1.8054  24.764  5.2944 24.764  5.2944 -0.000000      0.000000 
1 1 1 14 12 1  o 26.398  3.2065 5.5589   1.2997  5.3967   1.8579  5.7143   1.8188  25.747  4.7792 26.554  4.5317 -0.8074837     6.586119 
1 1 1 14 12 2  o 143.988 1.4559 162.613  3.2863  163.883  4.6755  161.372  4.6200  144.503 2.0639 143.393 2.0552 1.110489       2.912696 
1 1 1 14 12 3  o 126.405 1.4322 125.321  2.8380  123.614  4.0047  127.045  4.0226  125.501 2.0355 127.233 2.0167 -1.731277      2.865382 
1 1 1 14 12 4  o 67.921  1.6150 36.189   1.7197  35.865   2.4471  36.505   2.4171  67.588  2.3095 68.190  2.2611 -0.6020584     3.232099 
1 1 1 14 12 5  o 165.356 1.5003 214.471  3.8893  212.954  5.4608  216.033  5.5406  164.714 2.1148 165.899 2.1304 -1.184814      3.001824 
1 1 1 14 12 6  o 78.422  1.5278 48.241   1.8783  50.678   2.6999  45.954   2.6147  80.350  2.1435 76.512  2.1799 3.838425       3.057199 
1 1 1 14 12 7  o 81.585  1.5627 52.214   1.9987  55.472   2.7791  48.724   2.8767  84.065  2.1088 78.774  2.3294 5.290970       3.142197 
1 1 1 14 12 8  o 111.567 1.5531 97.643   2.7163  95.642   3.7858  99.767   3.8996  110.375 2.1879 112.729 2.2067 -2.353493      3.107470 
1 1 1 14 12 9  o 119.157 1.6397 111.392  3.0630  103.020  4.4382  119.005  4.2326  114.527 2.4720 123.118 2.1930 -8.591522      3.304512 
1 1 1 14 12 10 o 172.614 1.8640 233.826  5.0441  242.290  6.5088  221.099  7.9810  175.646 2.3638 167.685 3.0361 7.961166       3.847734 
1 1 1 14 12 11 o 36.943  2.6757 10.781   1.5391  10.365   2.0211  11.355   2.3748  36.102  3.6198 37.733  4.0797 -1.631702      5.454060 
1 1 1 14 12 12 o 16.085  5.1547 1.9991   1.4714  2.1533   2.0950  1.8491   2.0669  17.516  6.1561 16.782  6.0891 0.7342777      8.658826 
1 1 1 14 12 13 o 158.037 1.8096 196.011  4.4832  204.026  6.4949  188.716  6.1961  161.134 2.5712 154.974 2.5504 6.160339       3.621530 
1 1 1 14 12 14 o 55.532  1.9268 24.207   1.6773  23.629   2.3724  24.784   2.3719  54.753  2.7730 56.151  2.6945 -1.398464      3.866471 
1 1 1 14 12 15 o 176.043 1.6785 243.198  4.6324  243.145  6.5509  243.252  6.5515  175.922 2.3753 175.961 2.3751 -0.3872681E-01 3.359030 
1 1 1 14 12 16 o 66.222  1.7584 34.419   1.8255  33.833   2.5565  35.029   2.6075  65.613  2.4855 66.762  2.4914 -1.148758      3.519194 
1 1 1 14 12 17 o 95.221  1.6620 71.158   2.4810  70.082   3.7385  72.005   3.3165  94.423  2.5256 95.741  2.2097 -1.318542      3.355778 
1 1 1 14 12 18 o 44.962  2.3199 15.928   1.6296  16.230   2.5219  15.711   2.1354  45.229  3.5861 44.568  3.0751 0.6614037      4.724072 
1 1 1 14 12 19 f 211.145 1.9274 350.086  6.3797  352.304  9.6425  348.359  8.5082  211.569 2.9073 210.474 2.5786 1.095291       3.886036 
1 1 1 14 12 20 o 102.718 1.7773 82.835   2.8619  78.401   4.0109  87.434   4.0847  99.843  2.5625 105.451 2.4709 -5.607590      3.559779 
1 1 1 14 12 21 o 89.220  1.6871 62.491   2.3597  63.608   3.5905  61.641   3.1308  89.927  2.5469 88.558  2.2552 1.368538       3.401806 
1 1 1 14 12 22 o 187.434 1.8255 275.892  5.3641  271.229  7.9832  279.729  7.2427  185.624 2.7434 188.591 2.4498 -2.967285      3.677985 
1 1 1 14 12 23 o 55.953  2.0041 24.598   1.7579  25.977   2.7192  23.608   2.3042  57.333  3.0362 54.764  2.6840 2.568859       4.052474 
1 1 1 14 12 24 o 91.482  1.6587 65.712   2.3788  59.969   3.5150  70.565   3.2313  87.289  2.5687 94.741  2.1756 -7.452644      3.366211 
1 1 1 14 12 25 o 117.717 1.6321 108.809  3.0120  115.487  4.6817  104.093  3.9342  121.140 2.4653 115.059 2.1811 6.081154       3.291646 
1 1 1 14 12 26 o 39.646  2.2869 12.406   1.4153  13.889   2.0215  10.979   1.9822  41.843  3.1039 37.119  3.4458 4.723866       4.637624 
1 1 1 14 12 27 o 45.982  2.1647 16.629   1.5604  16.110   2.1201  17.243   2.3050  45.087  3.0169 46.627  3.1723 -1.539761      4.377835 
1 1 1 14 12 28 o 91.614  1.5623 65.910   2.2438  69.180   3.2277  62.851   3.1214  93.774  2.1956 89.377  2.2277 4.397057       3.127865 
1 1 1 14 12 29 o 57.657  1.7294 26.119   1.5631  28.143   2.1386  23.797   2.2903  59.797  2.2814 54.946  2.6590 4.851227       3.503526 
1 1 1 14 12 30 o 87.239  1.5082 59.767   2.0627  60.578   2.8193  58.833   3.0258  87.759  2.0492 86.457  2.2324 1.301468       3.030377 
1 1 1 14 12 31 o 75.102  1.5755 44.306   1.8549  44.997   2.5166  43.484   2.7447  75.619  2.1229 74.303  2.3563 1.316383       3.171624 
1 1 1 14 12 32 o 19.801  4.1843 3.2362   1.2582  1.3767   1.7615  5.1726   1.7976  14.915  5.5843 25.040  4.7532 -10.12484      7.333268 
1 1 1 14 12 33 o 63.104  1.7617 31.305   1.7428  30.231   2.4372  32.430   2.4932  61.918  2.5108 64.135  2.4798 -2.217434      3.528955 
1 1 1 14 12 34 o 69.340  1.8587 37.816   2.0204  34.139   2.7705  41.992   2.9528  65.760  2.6875 72.953  2.5819 -7.192642      3.726732 
1 1 1 14 12 35 o 51.478  1.9896 20.857   1.6056  22.312   2.3005  19.474   2.2420  53.071  2.7747 49.547  2.8991 3.524017       4.012985 
1 1 1 14 12 36 o 78.201  1.6591 48.076   2.0339  50.508   2.9233  45.794   2.8317  80.040  2.3298 76.205  2.3703 3.834274       3.323576 
1 1 1 14 12 37 o 82.660  1.6314 53.716   2.1140  51.715   2.9536  55.819   3.0270  80.981  2.3265 84.140  2.2948 -3.158707      3.267894 
1 1 1 14 12 38 f 63.966  1.7053 32.180   1.7101  30.684   2.3458  33.878   2.4981  62.358  2.3996 65.518  2.4322 -3.159485      3.416724 
1 1 1 14 12 39 o 89.661  1.5220 63.189   2.1392  59.607   2.8481  67.827   3.2405  86.976  2.0888 92.746  2.2287 -5.770027      3.054571 
1 1 1 14 12 40 o 46.147  2.0007 16.776   1.4474  15.232   1.9397  18.717   2.1740  43.771  2.8421 48.533  2.8702 -4.761738      4.039252 
1 1 1 14 12 41 o 46.277  1.9745 16.872   1.4325  17.885   1.9530  15.692   2.1074  47.481  2.6341 44.374  3.0479 3.107182       4.028450 
1 1 1 14 12 42 o 70.814  1.6140 39.447   1.7917  38.810   2.4298  40.205   2.6527  70.132  2.2100 71.346  2.3717 -1.213570      3.241802 
1 1 1 14 12 43 o 46.493  1.9707 17.038   1.4363  18.785   1.9627  15.023   2.1075  48.656  2.5824 43.370  3.1206 5.285313       4.050572 
1 1 1 14 12 44 o 32.335  2.4845 8.3192   1.2498  8.5640   1.6911  8.0246   1.8551  32.615  3.3554 31.430  3.8453 1.185236       5.103439 
1 1 1 14 12 45 o 43.992  2.1414 15.280   1.4768  14.890   2.0761  15.680   2.1012  43.153  3.0894 44.299  3.0442 -1.146896      4.337191 
1 1 1 14 12 46 o 59.563  1.7987 27.961   1.6796  26.964   2.3590  28.986   2.3919  58.324  2.5801 60.486  2.5225 -2.162319      3.608273 
1 1 1 14 12 47 o 75.914  1.7335 45.416   2.0629  45.672   2.7549  45.089   3.1126  75.968  2.3132 75.375  2.6342 0.5930557      3.505721 
1 1 1 14 12 48 o 14.861  4.6495 1.8001   1.2034  1.9304   1.6588  1.6553   1.7483  15.838  5.4828 15.306  5.5931 0.5324001      7.832235 
1 1 1 14 12 49 o 65.197  1.6378 33.502   1.6739  35.898   2.4064  31.256   2.3300  67.315  2.2804 62.786  2.3672 4.528591       3.286930 
1 1 1 14 12 50 o 31.347  2.5992 7.8680   1.2658  7.7112   1.7753  8.0302   1.8053  30.680  3.7705 31.323  3.7510 -0.6430511     5.318470 
1 1 1 14 12 51 o 24.919  3.3950 5.0835   1.2917  6.4099   1.7720  3.5793   1.8871  27.749  4.2051 20.281  5.6990 7.467842       7.082449 
1 1 1 14 12 52 o 54.473  1.8400 23.459   1.5713  21.553   2.1192  25.786   2.3418  51.927  2.6116 56.859  2.6272 -4.932755      3.704433 
1 1 1 14 12 53 o 77.379  1.6693 47.291   2.0249  49.881   2.8918  44.798   2.8362  79.186  2.3295 75.003  2.4122 4.182892       3.353416 
1 1 1 14 12 54 o 33.859  2.7999 9.2524   1.4728  11.011   2.1730  7.7577   2.0032  36.511  3.8547 30.377  4.3291 6.134165       5.796564 
1 1 1 14 12 55 o 9.4280  4.1585 -0.2327  1.2004  -1.5073  1.8094  0.7693   1.6042  9.9396  4.6514 12.747  5.1633 -2.807902      6.949481 
1 1 1 14 12 56 o 30.350  3.0542 7.5192   1.4334  7.6540   2.1123  7.4041   1.9516  29.875  4.6624 29.538  4.3443 0.3375931      6.372696 
1 1 1 14 12 57 o 25.288  3.7126 5.3589   1.4280  6.9050   2.0989  4.0265   1.9484  28.135  4.9388 21.042  5.7451 7.092495       7.576135 
1 1 1 14 12 58 o 30.610  3.0035 7.6669   1.4227  7.6434   1.8340  7.7023   2.2545  30.098  3.9850 29.622  5.0352 0.4763794      6.421330 
1 1 1 14 12 59 o 25.814  3.8322 5.6328   1.5037  5.7675   1.7997  5.3214   2.7367  25.718  4.6343 23.401  6.9525 2.317228       8.355467 
1 1 1 14 12 60 o 13.792  5.1447 1.4196   1.4925  0.5123   1.9605  2.6702   2.3017  12.982  5.5176 17.591  6.4192 -4.608706      8.464596 
1 1 1 14 12 61 f 21.608  4.2523 4.0612   1.3891  4.8155   1.9535  3.2896   1.9757  22.897  5.5091 18.858  5.9658 4.039455       8.120434 
1 1 1 14 12 62 o 21.987  3.9971 4.1653   1.3270  4.2033   1.8034  4.1205   1.9595  21.392  5.3823 20.989  5.7743 0.4030533      7.893718 
1 1 1 14 12 63 o 51.868  2.0048 21.491   1.6301  22.375   2.2384  20.493   2.3786  52.439  2.7324 49.953  3.0520 2.485554       4.096428 
1 1 1 14 12 64 o 33.836  2.8016 9.3822   1.4727  8.2471   1.9417  10.920   2.2597  30.959  4.1019 35.665  4.1172 -4.706354      5.811789 
1 1 1 14 12 65 o 21.766  4.0108 4.1269   1.3181  2.6975   1.8005  5.7778   1.9349  17.093  5.7162 25.160  5.0807 -8.066954      7.647774 
1 1 1 14 12 66 o 24.921  4.3357 5.4957   1.6323  3.4245   2.1182  8.5244   2.5614  18.732  6.1976 30.087  5.6378 -11.35455      8.378249 
1 1 1 14 12 67 o 36.550  2.9712 11.103   1.6877  9.6964   2.3753  12.538   2.3984  32.745  4.7670 37.917  4.1002 -5.171928      6.287794 
1 1 1 14 12 68 o 48.867  2.3531 19.421   1.8026  16.221   2.4666  23.089   2.6410  43.454  3.6549 52.371  3.2325 -8.917309      4.879284 
1 1 1 14 13 0  o 136.702 2.0427 146.689  4.3754  146.689  4.3754  146.689  4.3754  136.702 2.0427 136.702 2.0427 0.000000       0.000000 
1 1 1 14 13 1  o 102.645 1.4467 82.659   2.3280  79.834   3.2297  85.714   3.3586  100.830 2.0433 104.476 2.0506 -3.646233      2.894823 
1 1 1 14 13 2  o 24.860  3.3208 4.9525   1.2618  4.4381   1.7665  5.4884   1.8030  23.233  4.9985 25.966  4.5975 -2.733051      6.791328 
1 1 1 14 13 3  o 108.633 1.4260 92.584   2.4284  93.823   3.4710  91.395   3.3988  109.308 2.0256 107.886 2.0096 1.421768       2.853305 
1 1 1 14 13 4  o 113.166 1.4226 100.472  2.5237  102.445  3.5947  98.555   3.5440  114.221 2.0076 112.030 2.0179 2.190536       2.846442 
1 1 1 14 13 5  o 84.215  1.5881 55.653   2.0966  56.131   2.9669  55.176   2.9631  84.529  2.2390 83.805  2.2554 0.7236023      3.178034 
1 1 1 14 13 6  o 15.793  4.5811 2.0133   1.2005  3.4772   1.7085  0.5854   1.6873  20.546  5.2766 13.096  5.2986 7.450204       7.477813 
1 1 1 14 13 7  o 159.858 1.4836 200.509  3.7179  203.551  5.3034  197.569  5.2135  160.984 2.1014 158.601 2.0969 2.382690       2.968656 
1 1 1 14 13 8  o 128.708 1.4233 129.971  2.8717  131.525  4.0997  128.474  4.0238  129.412 2.0208 127.904 2.0068 1.508034       2.847945 
1 1 1 14 13 9  o 111.218 1.4820 97.058   2.5839  97.102   3.8277  97.021   3.5022  111.173 2.1963 111.147 2.0100 0.2552032E-01  2.977172 
1 1 1 14 13 10 f 142.930 1.4494 160.295  3.2477  164.868  4.6542  155.955  4.5340  144.879 2.0492 140.908 2.0525 3.971115       2.900354 
1 1 1 14 13 11 o 60.564  1.6684 28.792   1.5841  29.906   2.2888  27.767   2.1947  61.681  2.3670 59.435  2.3555 2.246403       3.339286 
1 1 1 14 13 12 o 70.130  1.6190 38.604   1.7800  37.215   2.3890  40.337   2.6686  68.817  2.2145 71.631  2.3765 -2.814079      3.248316 
1 1 1 14 13 13 o 163.379 1.4972 209.478  3.8346  212.131  5.4773  206.928  5.3703  164.309 2.1264 162.284 2.1109 2.024704       2.996255 
1 1 1 14 13 14 o 91.304  1.4449 65.419   2.0681  66.795   2.9685  64.122   2.8828  92.204  2.0537 90.342  2.0355 1.861595       2.891555 
1 1 1 14 13 15 o 88.661  1.4462 61.690   2.0101  61.265   2.8088  62.137   2.8778  88.304  2.0290 88.926  2.0643 -0.6226501     2.894540 
1 1 1 14 13 16 o 61.306  1.6411 29.507   1.5772  26.977   2.2413  31.989   2.2199  58.562  2.4414 63.790  2.2199 -5.228004      3.299750 
1 1 1 14 13 17 o 66.111  1.5732 34.311   1.6305  32.807   2.2696  35.915   2.3439  64.594  2.2413 67.588  2.2121 -2.993973      3.149131 
1 1 1 14 13 18 o 39.396  2.1819 12.239   1.3423  11.145   1.8001  13.610   2.0144  37.468  3.0924 41.424  3.1250 -3.955830      4.396398 
1 1 1 14 13 19 o 118.657 1.5367 110.534  2.8585  111.686  4.0352  109.372  4.0499  119.183 2.1597 117.936 2.1905 1.246330       3.076147 
1 1 1 14 13 20 o 114.996 1.5373 103.824  2.7714  102.955  3.9061  104.706  3.9329  114.419 2.1777 115.388 2.1742 -0.9693298     3.077208 
1 1 1 14 13 21 o 16.110  4.6697 2.1096   1.2478  1.4985   1.7325  2.7685   1.7988  15.176  5.5644 18.536  5.6659 -3.359631      7.941388 
1 1 1 14 13 22 o 72.017  1.6546 40.737   1.8680  39.874   2.6057  41.649   2.6793  71.178  2.3352 72.744  2.3495 -1.565384      3.312575 
1 1 1 14 13 23 o 17.669  4.4999 2.5802   1.2498  4.2635   1.8092  1.0437   1.7286  22.647  5.2051 14.117  5.4715 8.530196       7.551800 
1 1 1 14 13 24 o 43.917  2.0985 15.172   1.4448  15.766   2.0569  14.594   2.0298  44.595  2.9590 42.883  3.0391 1.711082       4.241667 
1 1 1 14 13 25 o 120.498 1.4862 114.022  2.8074  110.552  3.7450  118.475  4.2419  118.558 2.0150 122.692 2.2054 -4.133980      2.987288 
1 1 1 14 13 26 o 69.231  1.5716 37.649   1.7057  39.910   2.3487  35.128   2.4810  71.218  2.1038 66.780  2.3699 4.437309       3.168914 
1 1 1 14 13 27 f 22.610  3.5824 4.1497   1.2274  4.2336   1.5858  4.0241   1.9385  22.627  4.6267 21.934  5.6141 0.6933308      7.274935 
1 1 1 14 13 28 o 99.693  1.5038 78.070   2.3502  75.121   3.1444  81.803   3.5377  97.702  2.0530 101.922 2.2141 -4.219627      3.019400 
1 1 1 14 13 29 o 61.407  1.7121 29.642   1.6482  28.706   2.2124  30.810   2.4706  60.354  2.3383 62.500  2.5216 -2.145565      3.438908 
1 1 1 14 13 30 o 73.893  1.8084 42.941   2.0949  43.361   3.1193  42.596   2.8273  74.105  2.6851 73.493  2.4540 0.6118622      3.637567 
1 1 1 14 13 31 o 37.484  2.6088 11.145   1.5234  12.458   2.0739  9.6068   2.2452  39.488  3.3828 34.437  4.2490 5.051716       5.431160 
1 1 1 14 13 32 o 58.093  1.9889 26.567   1.8113  28.474   2.4501  24.271   2.6896  60.048  2.6028 55.266  3.1171 4.781982       4.060862 
1 1 1 14 13 33 o 17.017  4.7527 2.3961   1.3166  2.6268   1.7530  2.0975   1.9941  17.998  5.6086 16.980  6.0022 1.018724       8.214747 
1 1 1 14 13 34 o 15.762  5.1625 1.9440   1.4711  2.3098   2.0665  1.5681   2.0947  17.573  6.1175 16.001  6.0679 1.571333       8.616384 
1 1 1 14 13 35 o 65.506  2.0388 33.805   2.0937  31.990   2.9162  35.735   3.0077  63.554  2.9270 67.187  2.8555 -3.633198      4.089170 
1 1 1 14 13 36 o 59.560  2.1199 27.963   1.9794  26.150   2.7798  29.827   2.8191  57.332  3.1044 61.356  2.9309 -4.024235      4.269372 
1 1 1 14 13 37 f 56.905  2.2037 25.543   1.9659  24.385   2.7424  26.766   2.8196  55.326  3.1752 57.990  3.1129 -2.664097      4.446615 
1 1 1 14 13 38 o 77.782  2.1446 47.718   2.6150  44.364   3.6471  51.266   3.7514  74.743  3.1126 80.391  2.9767 -5.648109      4.306860 
1 1 1 14 13 39 o 10.938  4.8002 -0.3145  1.5811  1.9985   2.2509  -2.5672  2.2213  17.117  6.3312 10.513  4.9904 6.603585       8.061546 
1 1 1 14 13 40 o 47.085  2.5840 17.601   1.9001  17.541   2.5037  17.682   2.9178  46.778  3.4382 46.780  4.0176 -0.1846313E-02 5.287962 
1 1 1 14 13 41 o 11.250  4.8611 -0.0929  1.5692  -0.8608  2.0605  0.9674   2.4212  11.789  5.3068 15.514  6.3212 -3.724514      8.253442 
1 1 1 14 13 42 o 54.548  1.9730 23.471   1.6872  24.300   2.3969  22.658   2.3753  55.334  2.7632 53.339  2.8510 1.995529       3.970290 
1 1 1 14 13 43 o 14.738  4.8717 1.7089   1.3089  0.1770   1.8589  3.2153   1.8434  12.640  5.3724 19.485  5.6837 -6.845575      7.820982 
1 1 1 14 13 44 o 52.492  2.0873 21.770   1.7177  20.032   2.6225  23.076   2.2731  49.931  3.3701 53.903  2.6900 -3.972435      4.312008 
1 1 1 14 13 45 o 31.709  2.7999 8.0605   1.3775  7.3158   1.9378  8.8212   1.9585  29.756  4.2771 32.864  3.8762 -3.107565      5.772202 
1 1 1 14 13 46 o 30.877  3.0449 7.6853   1.4547  8.8834   2.1725  6.7116   1.9586  32.784  4.3333 28.347  4.5622 4.437019       6.292124 
1 1 1 14 13 47 f 11.070  4.6862 0.1706   1.4049  -1.7695  1.9409  2.3059   2.0362  10.232  4.7974 17.202  6.0669 -6.970123      7.734488 
1 1 1 14 13 48 o 40.541  2.6123 13.142   1.6514  10.715   2.2867  15.788   2.3875  36.052  4.1200 44.128  3.4794 -8.076725      5.392607 
1 1 1 14 13 49 o 53.219  1.9864 22.422   1.6573  24.792   2.4054  20.280   2.2866  55.708  2.7543 50.249  2.9153 5.459080       4.010610 
1 1 1 14 13 50 o 44.417  2.1399 15.656   1.4900  17.419   2.0680  13.752   2.1486  46.551  2.8475 41.137  3.3611 5.414318       4.405185 
1 1 1 14 13 51 o 20.304  3.9273 3.4768   1.2048  2.3837   1.6629  4.6846   1.7480  16.816  5.4879 23.253  4.9472 -6.437666      7.388622 
1 1 1 14 13 52 o 26.558  3.0653 5.7594   1.2528  6.0249   1.7836  5.5009   1.7600  26.627  4.4285 25.343  4.5995 1.284451       6.384902 
1 1 1 14 13 53 o 17.919  4.3534 2.7761   1.2109  3.5803   1.7187  1.9836   1.7062  20.057  5.3625 15.703  5.5519 4.354077       7.718760 
1 1 1 14 13 54 o 15.283  4.5659 2.0087   1.1779  2.4338   1.6726  1.5905   1.6592  16.788  5.5051 14.620  5.4302 2.168197       7.732593 
1 1 1 14 13 55 o 15.277  4.6347 2.0148   1.2069  2.2476   1.6978  1.7771   1.7158  16.256  5.5502 15.102  5.5376 1.153411       7.840251 
1 1 1 14 13 56 o 28.139  3.1081 6.5183   1.3482  8.1595   1.8323  4.5810   1.9908  31.156  3.8322 22.349  5.6724 8.806908       6.845590 
1 1 1 14 13 57 o 36.351  2.3929 10.653   1.3560  9.5264   1.8901  11.847   1.9466  33.767  3.6274 37.877  3.3115 -4.110474      4.911584 
1 1 1 14 13 58 o 38.662  2.3304 12.040   1.4058  10.713   1.9546  13.461   2.0234  35.849  3.5235 40.408  3.2210 -4.559132      4.773853 
1 1 1 14 13 59 f 42.044  2.3905 14.262   1.5691  14.069   2.2593  14.442   2.1808  41.070  3.5437 41.738  3.3614 -0.6679802     4.884355 
1 1 1 14 13 60 o 12.616  4.6957 1.1742   1.2420  -0.9406  1.7324  3.4108   1.7815  10.159  4.6838 19.164  5.5867 -9.005700      7.290374 
1 1 1 14 13 61 o 31.044  2.9131 7.9298   1.4011  7.4311   1.8938  8.5329   2.0826  29.293  4.2478 31.346  4.3559 -2.053274      6.084255 
1 1 1 14 13 62 o 13.709  5.0426 1.4901   1.4244  3.1817   2.0565  -0.0698  1.9748  18.345  6.1085 11.968  5.3035 6.377337       8.089583 
1 1 1 14 13 63 o 20.792  4.6747 3.9103   1.4867  2.4461   2.1068  5.3626   2.0982  16.588  6.1274 23.732  5.7092 -7.143835      8.374964 
1 1 1 14 13 64 o 9.3040  4.2051 -0.4186  1.3092  2.0051   1.9001  -2.6091  1.8064  15.361  5.7902 8.6297  4.1969 6.731708       7.151241 
1 1 1 14 13 65 o 12.513  4.6866 1.2155   1.2410  2.7567   1.8027  -0.1728  1.7109  16.978  5.7194 10.923  4.8821 6.055925       7.519765 
1 1 1 14 13 66 o 10.306  4.5830 -0.0995  1.4874  0.7566   2.1373  -0.9035  2.0712  13.194  5.6872 10.909  5.0617 2.285465       7.613497 
1 1 1 14 14 0  o 125.607 2.8745 123.992  5.6535  123.992  5.6535  123.992  5.6535  125.607 2.8745 125.607 2.8745 0.000000       0.000000 
1 1 1 14 14 1  o 205.145 2.3266 330.461  7.4800  330.461  7.4800  330.461  7.4800  205.145 2.3266 205.145 2.3266 -0.000000      0.000000 
1 1 1 14 14 2  o 63.857  2.3449 32.137   2.3403  32.137   2.3403  32.137   2.3403  63.857  2.3449 63.857  2.3449 -0.000000      0.000000 
1 1 1 14 14 3  o 72.520  2.2142 41.391   2.5119  41.391   2.5119  41.391   2.5119  72.520  2.2142 72.520  2.2142 -0.000000      0.000000 
1 1 1 14 14 4  o 126.319 2.1995 125.346  4.3527  125.346  4.3527  125.346  4.3527  126.319 2.1995 126.319 2.1995 -0.000000      0.000000 
1 1 1 14 14 5  o 63.768  2.3111 32.044   2.3035  32.044   2.3035  32.044   2.3035  63.768  2.3111 63.768  2.3111 -0.000000      0.000000 
1 1 1 14 14 6  o 66.219  2.2892 34.543   2.3700  34.543   2.3700  34.543   2.3700  66.219  2.2892 66.219  2.2892 -0.000000      0.000000 
1 1 1 14 14 7  o 16.731  6.6027 3.0447   1.6649  3.0447   1.6649  3.0447   1.6649  16.731  6.6027 16.731  6.6027 -0.000000      0.000000 
1 1 1 14 14 8  o 54.942  2.4760 23.845   2.1228  23.845   2.1228  23.845   2.1228  54.942  2.4760 54.942  2.4760 -0.000000      0.000000 
1 1 1 14 14 9  o 6.2971  4.4270 -1.8832  1.6935  -1.8832  1.6935  -1.8832  1.6935  6.2971  4.4270 6.2971  4.4270 -0.000000      0.000000 
1 1 1 14 14 10 o 85.142  2.0527 56.990   2.7362  56.990   2.7362  56.990   2.7362  85.142  2.0527 85.142  2.0527 -0.000000      0.000000 
1 1 1 14 14 11 o 79.492  2.1199 49.702   2.6375  49.702   2.6375  49.702   2.6375  79.492  2.1199 79.492  2.1199 0.000000       0.000000 
1 1 1 14 14 12 o 29.847  3.9100 7.3636   1.7425  7.3636   1.7425  7.3636   1.7425  29.847  3.9100 29.847  3.9100 -0.000000      0.000000 
1 1 1 14 14 13 o 13.712  6.6106 2.1929   1.6489  2.1929   1.6489  2.1929   1.6489  13.712  6.6106 13.712  6.6106 -0.000000      0.000000 
1 1 1 14 14 14 o 33.853  3.4688 9.2959   1.7966  9.2959   1.7966  9.2959   1.7966  33.853  3.4688 33.853  3.4688 0.000000       0.000000 
1 1 1 14 14 15 o 93.498  2.0659 68.719   3.0248  68.719   3.0248  68.719   3.0248  93.498  2.0659 93.498  2.0659 -0.000000      0.000000 
1 1 1 14 14 16 o 19.541  6.0295 3.7636   1.6163  3.7636   1.6163  3.7636   1.6163  19.541  6.0295 19.541  6.0295 -0.000000      0.000000 
1 1 1 14 14 17 o 51.506  2.5273 20.990   2.0295  20.990   2.0295  20.990   2.0295  51.506  2.5273 51.506  2.5273 -0.000000      0.000000 
1 1 1 14 14 18 o 117.045 2.0060 107.634  3.6783  107.634  3.6783  107.634  3.6783  117.045 2.0060 117.045 2.0060 0.000000       0.000000 
1 1 1 14 14 19 o 52.812  2.5116 22.061   2.0686  22.061   2.0686  22.061   2.0686  52.812  2.5116 52.812  2.5116 -0.000000      0.000000 
1 1 1 14 14 20 o 123.400 2.0381 119.649  3.9403  119.649  3.9403  119.649  3.9403  123.400 2.0381 123.400 2.0381 -0.000000      0.000000 
1 1 1 14 14 21 o 10.490  6.0829 1.0789   1.6344  1.0789   1.6344  1.0789   1.6344  10.490  6.0829 10.490  6.0829 -0.000000      0.000000 
1 1 1 14 14 22 o 22.027  5.4552 4.4703   1.6305  4.4703   1.6305  4.4703   1.6305  22.027  5.4552 22.027  5.4552 -0.000000      0.000000 
1 1 1 14 14 23 o 8.4582  5.3583 0.2180   1.5328  0.2180   1.5328  0.2180   1.5328  8.4582  5.3583 8.4582  5.3583 -0.000000      0.000000 
1 1 1 14 14 24 o 36.667  3.1063 10.808   1.7560  10.808   1.7560  10.808   1.7560  36.667  3.1063 36.667  3.1063 0.000000       0.000000 
1 1 1 14 14 25 f 48.846  2.6723 18.930   2.0323  18.930   2.0323  18.930   2.0323  48.846  2.6723 48.846  2.6723 -0.000000      0.000000 
1 1 1 14 14 26 o 10.602  6.0436 1.1680   1.5726  1.1680   1.5726  1.1680   1.5726  10.602  6.0436 10.602  6.0436 0.000000       0.000000 
1 1 1 14 14 27 o 76.681  2.3330 46.342   2.7986  46.342   2.7986  46.342   2.7986  76.681  2.3330 76.681  2.3330 0.000000       0.000000 
1 1 1 14 14 28 o 27.516  4.6709 6.4797   1.8405  6.4797   1.8405  6.4797   1.8405  27.516  4.6709 27.516  4.6709 -0.000000      0.000000 
1 1 1 14 14 29 o 46.920  2.9212 17.533   2.1296  17.533   2.1296  17.533   2.1296  46.920  2.9212 46.920  2.9212 -0.000000      0.000000 
1 1 1 14 14 30 o 68.852  3.2284 37.616   3.4672  37.616   3.4672  37.616   3.4672  68.852  3.2284 68.852  3.2284 -0.000000      0.000000 
1 1 1 14 14 31 o 36.463  4.5873 11.023   2.5095  11.023   2.5095  11.023   2.5095  36.463  4.5873 36.463  4.5873 -0.000000      0.000000 
1 1 1 14 14 32 o 61.686  3.3613 30.290   3.2284  30.290   3.2284  30.290   3.2284  61.686  3.3613 61.686  3.3613 -0.000000      0.000000 
1 1 1 14 14 33 o 11.431  6.9318 1.0404   2.3020  1.0404   2.3020  1.0404   2.3020  11.431  6.9318 11.431  6.9318 -0.000000      0.000000 
1 1 1 14 14 34 o 6.9271  4.9052 -2.7440  2.2033  -2.7440  2.2033  -2.7440  2.2033  6.9271  4.9052 6.9271  4.9052 0.000000       0.000000 
1 1 1 14 14 35 o 17.779  8.0042 3.7102   2.3893  3.7102   2.3893  3.7102   2.3893  17.779  8.0042 17.779  8.0042 -0.000000      0.000000 
1 1 1 14 14 36 o 55.414  3.0413 24.442   2.6238  24.442   2.6238  24.442   2.6238  55.414  3.0413 55.414  3.0413 -0.000000      0.000000 
1 1 1 14 14 37 o 23.470  6.5144 5.3035   2.0733  5.3035   2.0733  5.3035   2.0733  23.470  6.5144 23.470  6.5144 -0.000000      0.000000 
1 1 1 14 14 38 o 96.672  2.9186 73.940   4.4140  73.940   4.4140  73.940   4.4140  96.672  2.9186 96.672  2.9186 -0.000000      0.000000 
1 1 1 14 14 39 o 41.320  4.3592 14.025   2.7518  14.025   2.7518  14.025   2.7518  41.320  4.3592 41.320  4.3592 -0.000000      0.000000 
1 1 1 14 14 40 o 97.101  2.5851 74.495   3.9288  74.495   3.9288  74.495   3.9288  97.101  2.5851 97.101  2.5851 0.000000       0.000000 
1 1 1 14 14 41 o 6.9186  4.8341 -1.8222  1.9296  -1.8222  1.9296  -1.8222  1.9296  6.9186  4.8341 6.9186  4.8341 0.000000       0.000000 
1 1 1 14 14 42 o 8.8743  5.6452 0.2509   1.7215  0.2509   1.7215  0.2509   1.7215  8.8743  5.6452 8.8743  5.6452 -0.000000      0.000000 
1 1 1 14 14 43 o 18.846  6.4976 3.7249   1.7284  3.7249   1.7284  3.7249   1.7284  18.846  6.4976 18.846  6.4976 -0.000000      0.000000 
1 1 1 14 14 44 o 29.497  4.2597 7.3589   1.8504  7.3589   1.8504  7.3589   1.8504  29.497  4.2597 29.497  4.2597 -0.000000      0.000000 
1 1 1 14 14 45 o 15.462  6.8199 2.8127   1.7358  2.8127   1.7358  2.8127   1.7358  15.462  6.8199 15.462  6.8199 -0.000000      0.000000 
1 1 1 14 14 46 o 45.854  2.8937 16.856   2.0611  16.856   2.0611  16.856   2.0611  45.854  2.8937 45.854  2.8937 -0.000000      0.000000 
1 1 1 14 14 47 o 5.6631  4.0465 -2.3765  1.6285  -2.3765  1.6285  -2.3765  1.6285  5.6631  4.0465 5.6631  4.0465 0.000000       0.000000 
1 1 1 14 14 48 o 16.095  6.6859 2.9931   1.6808  2.9931   1.6808  2.9931   1.6808  16.095  6.6859 16.095  6.6859 -0.000000      0.000000 
1 1 1 14 14 49 f 28.767  4.1021 7.0314   1.7410  7.0314   1.7410  7.0314   1.7410  28.767  4.1021 28.767  4.1021 -0.000000      0.000000 
1 1 1 14 14 50 o 31.969  4.2650 8.6655   2.0309  8.6655   2.0309  8.6655   2.0309  31.969  4.2650 31.969  4.2650 -0.000000      0.000000 
1 1 1 14 14 51 o 46.203  3.2518 17.317   2.3285  17.317   2.3285  17.317   2.3285  46.203  3.2518 46.203  3.2518 0.000000       0.000000 
1 1 1 14 14 52 o 23.459  6.4876 5.4756   2.0635  5.4756   2.0635  5.4756   2.0635  23.459  6.4876 23.459  6.4876 -0.000000      0.000000 
1 1 1 14 14 53 o 8.1199  5.4117 -0.3652  1.8680  -0.3652  1.8680  -0.3652  1.8680  8.1199  5.4117 8.1199  5.4117 0.000000       0.000000 
1 1 1 14 14 54 o 49.873  3.1928 20.199   2.4728  20.199   2.4728  20.199   2.4728  49.873  3.1928 49.873  3.1928 0.000000       0.000000 
1 1 1 14 14 55 o 6.3206  4.4964 -2.4180  1.9282  -2.4180  1.9282  -2.4180  1.9282  6.3206  4.4964 6.3206  4.4964 0.000000       0.000000 
1 1 1 14 14 56 o 36.002  3.6941 10.826   2.0347  10.826   2.0347  10.826   2.0347  36.002  3.6941 36.002  3.6941 -0.000000      0.000000 
1 1 1 14 14 57 o 13.527  6.9190 2.4009   1.8561  2.4009   1.8561  2.4009   1.8561  13.527  6.9190 13.527  6.9190 -0.000000      0.000000 
1 1 1 14 14 58 o 17.168  6.8912 3.5012   1.8033  3.5012   1.8033  3.5012   1.8033  17.168  6.8912 17.168  6.8912 -0.000000      0.000000 
1 1 1 14 14 59 o 5.3249  3.8643 -3.4204  1.7752  -3.4204  1.7752  -3.4204  1.7752  5.3249  3.8643 5.3249  3.8643 0.000000       0.000000 
1 1 1 14 14 60 o 15.302  7.0025 3.0118   1.8317  3.0118   1.8317  3.0118   1.8317  15.302  7.0025 15.302  7.0025 -0.000000      0.000000 
1 1 1 14 14 61 o 24.995  5.6037 5.9760   1.9170  5.9760   1.9170  5.9760   1.9170  24.995  5.6037 24.995  5.6037 -0.000000      0.000000 
1 1 1 14 14 62 o 12.782  6.7996 2.2383   1.8433  2.2383   1.8433  2.2383   1.8433  12.782  6.7996 12.782  6.7996 -0.000000      0.000000 
1 1 1 14 14 63 o 10.570  6.3365 1.3383   1.8801  1.3383   1.8801  1.3383   1.8801  10.570  6.3365 10.570  6.3365 -0.000000      0.000000 
1 1 1 14 14 64 o 26.657  5.6092 6.8591   2.0636  6.8591   2.0636  6.8591   2.0636  26.657  5.6092 26.657  5.6092 0.000000       0.000000 
1 1 1 15 0  0  o 355.291 7.9248 991.617  44.090  991.617  44.090  991.617  44.090  355.291 7.9248 355.291 7.9248 -0.000000      0.000000 
1 1 1 15 0  1  o 140.477 3.2369 154.962  7.1197  154.962  7.1197  154.962  7.1197  140.477 3.2369 140.477 3.2369 -0.000000      0.000000 
1 1 1 15 0  2  o 444.633 6.8067 1552.34  47.420  1552.34  47.420  1552.34  47.420  444.633 6.8067 444.633 6.8067 -0.000000      0.000000 
1 1 1 15 0  3  o 75.577  3.2641 45.032   3.8509  45.032   3.8509  45.032   3.8509  75.577  3.2641 75.577  3.2641 0.000000       0.000000 
1 1 1 15 0  4  o 583.360 8.6962 2673.91  79.488  2673.91  79.488  2673.91  79.488  583.360 8.6962 583.360 8.6962 -0.000000      0.000000 
1 1 1 15 0  5  o 73.839  2.6925 42.914   3.1073  42.914   3.1073  42.914   3.1073  73.839  2.6925 73.839  2.6925 -0.000000      0.000000 
1 1 1 15 0  6  o 354.504 4.5399 986.042  25.221  986.042  25.221  986.042  25.221  354.504 4.5399 354.504 4.5399 0.000000       0.000000 
1 1 1 15 0  7  o 222.500 3.1949 388.385  11.139  388.385  11.139  388.385  11.139  222.500 3.1949 222.500 3.1949 -0.000000      0.000000 
1 1 1 15 0  8  o 396.306 4.9843 1232.43  30.955  1232.43  30.955  1232.43  30.955  396.306 4.9843 396.306 4.9843 -0.000000      0.000000 
1 1 1 15 0  9  o 58.323  2.5780 26.823   2.3466  26.823   2.3466  26.823   2.3466  58.323  2.5780 58.323  2.5780 0.000000       0.000000 
1 1 1 15 0  10 o 270.323 3.1881 573.179  13.506  573.179  13.506  573.179  13.506  270.323 3.1881 270.323 3.1881 0.000000       0.000000 
1 1 1 15 0  11 o 91.217  2.1965 65.342   3.1368  65.342   3.1368  65.342   3.1368  91.217  2.1965 91.217  2.1965 0.000000       0.000000 
1 1 1 15 0  12 o 196.687 2.6105 303.452  8.0459  303.452  8.0459  303.452  8.0459  196.687 2.6105 196.687 2.6105 -0.000000      0.000000 
1 1 1 15 0  13 o 29.732  4.1501 7.3263   1.8265  7.3263   1.8265  7.3263   1.8265  29.732  4.1501 29.732  4.1501 -0.000000      0.000000 
1 1 1 15 0  14 o 60.177  2.4562 28.532   2.3083  28.532   2.3083  28.532   2.3083  60.177  2.4562 60.177  2.4562 -0.000000      0.000000 
1 1 1 15 0  15 o 107.528 2.5129 90.796   4.2307  90.796   4.2307  90.796   4.2307  107.528 2.5129 107.528 2.5129 0.000000       0.000000 
1 1 1 15 0  16 o 5.6569  3.9957 -1.7617  1.4319  -1.7617  1.4319  -1.7617  1.4319  5.6569  3.9957 5.6569  3.9957 -0.000000      0.000000 
1 1 1 15 0  17 o 23.043  4.6087 4.6306   1.4772  4.6306   1.4772  4.6306   1.4772  23.043  4.6087 23.043  4.6087 -0.000000      0.000000 
1 1 1 15 0  18 o 77.970  2.0050 47.753   2.4471  47.753   2.4471  47.753   2.4471  77.970  2.0050 77.970  2.0050 -0.000000      0.000000 
1 1 1 15 0  19 o 188.174 2.2567 277.725  6.6551  277.725  6.6551  277.725  6.6551  188.174 2.2567 188.174 2.2567 -0.000000      0.000000 
1 1 1 15 0  20 o 149.323 2.0498 174.902  4.7963  174.902  4.7963  174.902  4.7963  149.323 2.0498 149.323 2.0498 -0.000000      0.000000 
1 1 1 15 0  21 o 466.143 4.4631 1705.07  32.608  1705.07  32.608  1705.07  32.608  466.143 4.4631 466.143 4.4631 -0.000000      0.000000 
1 1 1 15 0  22 o 478.238 5.1139 1795.37  38.330  1795.37  38.330  1795.37  38.330  478.238 5.1139 478.238 5.1139 -0.000000      0.000000 
1 1 1 15 0  23 o 17.207  6.6698 3.1751   1.7112  3.1751   1.7112  3.1751   1.7112  17.207  6.6698 17.207  6.6698 -0.000000      0.000000 
1 1 1 15 0  24 o 122.158 1.9542 117.078  3.7402  117.078  3.7402  117.078  3.7402  122.158 1.9542 122.158 1.9542 -0.000000      0.000000 
1 1 1 15 0  25 o 90.235  1.9583 63.924   2.7672  63.924   2.7672  63.924   2.7672  90.235  1.9583 90.235  1.9583 -0.000000      0.000000 
1 1 1 15 0  26 o 37.976  3.0083 11.521   1.7651  11.521   1.7651  11.521   1.7651  37.976  3.0083 37.976  3.0083 -0.000000      0.000000 
1 1 1 15 0  27 o 50.099  2.4334 19.818   1.9009  19.818   1.9009  19.818   1.9009  50.099  2.4334 50.099  2.4334 -0.000000      0.000000 
1 1 1 15 0  28 o 8.1307  5.2995 -0.1741  1.6416  -0.1741  1.6416  -0.1741  1.6416  8.1307  5.2995 8.1307  5.2995 -0.000000      0.000000 
1 1 1 15 0  29 o 256.346 2.7415 515.465  11.014  515.465  11.014  515.465  11.014  256.346 2.7415 256.346 2.7415 -0.000000      0.000000 
1 1 1 15 0  30 o 17.877  6.5333 3.3440   1.6882  3.3440   1.6882  3.3440   1.6882  17.877  6.5333 17.877  6.5333 -0.000000      0.000000 
1 1 1 15 0  31 o 218.600 2.7442 374.902  9.4007  374.902  9.4007  374.902  9.4007  218.600 2.7442 218.600 2.7442 0.000000       0.000000 
1 1 1 15 0  32 o 124.380 1.9817 121.384  3.8618  121.384  3.8618  121.384  3.8618  124.380 1.9817 124.380 1.9817 0.000000       0.000000 
1 1 1 15 0  33 o 90.962  1.9681 64.962   2.8036  64.962   2.8036  64.962   2.8036  90.962  1.9681 90.962  1.9681 -0.000000      0.000000 
1 1 1 15 0  34 o 45.122  2.7605 16.145   1.9359  16.145   1.9359  16.145   1.9359  45.122  2.7605 45.122  2.7605 -0.000000      0.000000 
1 1 1 15 0  35 o 47.458  2.6458 17.827   1.9544  17.827   1.9544  17.827   1.9544  47.458  2.6458 47.458  2.6458 -0.000000      0.000000 
1 1 1 15 0  36 o 67.876  2.1497 36.233   2.2822  36.233   2.2822  36.233   2.2822  67.876  2.1497 67.876  2.1497 0.000000       0.000000 
1 1 1 15 0  37 f 159.536 2.1147 199.676  5.2866  199.676  5.2866  199.676  5.2866  159.536 2.1147 159.536 2.1147 0.000000       0.000000 
1 1 1 15 0  38 o 48.645  2.5616 18.712   1.9411  18.712   1.9411  18.712   1.9411  48.645  2.5616 48.645  2.5616 0.000000       0.000000 
1 1 1 15 0  39 o 115.773 1.9533 105.188  3.5428  105.188  3.5428  105.188  3.5428  115.773 1.9533 115.773 1.9533 -0.000000      0.000000 
1 1 1 15 0  40 f 48.659  2.5087 18.718   1.9020  18.718   1.9020  18.718   1.9020  48.659  2.5087 48.659  2.5087 0.000000       0.000000 
1 1 1 15 0  41 o 55.122  2.3083 23.956   1.9867  23.956   1.9867  23.956   1.9867  55.122  2.3083 55.122  2.3083 -0.000000      0.000000 
1 1 1 15 0  42 o 36.954  2.7513 10.891   1.5736  10.891   1.5736  10.891   1.5736  36.954  2.7513 36.954  2.7513 -0.000000      0.000000 
1 1 1 15 0  43 o 26.937  3.8353 6.0345   1.5246  6.0345   1.5246  6.0345   1.5246  26.937  3.8353 26.937  3.8353 0.000000       0.000000 
1 1 1 15 0  44 o 39.372  2.6092 12.323   1.5942  12.323   1.5942  12.323   1.5942  39.372  2.6092 39.372  2.6092 0.000000       0.000000 
1 1 1 15 0  45 o 41.755  2.4821 13.826   1.6116  13.826   1.6116  13.826   1.6116  41.755  2.4821 41.755  2.4821 0.000000       0.000000 
1 1 1 15 0  46 o 44.728  2.3357 15.827   1.6276  15.827   1.6276  15.827   1.6276  44.728  2.3357 44.728  2.3357 -0.000000      0.000000 
1 1 1 15 0  47 o 18.413  5.3654 3.2656   1.3446  3.2656   1.3446  3.2656   1.3446  18.413  5.3654 18.413  5.3654 0.000000       0.000000 
1 1 1 15 0  48 o 8.7460  5.2329 0.6278   1.2772  0.6278   1.2772  0.6278   1.2772  8.7460  5.2329 8.7460  5.2329 0.000000       0.000000 
1 1 1 15 0  49 o 49.119  2.5385 19.099   1.9428  19.099   1.9428  19.099   1.9428  49.119  2.5385 49.119  2.5385 -0.000000      0.000000 
1 1 1 15 0  50 o 29.025  2.9701 6.8273   1.3190  6.8273   1.3190  6.8273   1.3190  29.025  2.9701 29.025  2.9701 0.000000       0.000000 
1 1 1 15 0  51 o 107.801 1.8010 91.274   3.0417  91.274   3.0417  91.274   3.0417  107.801 1.8010 107.801 1.8010 0.000000       0.000000 
1 1 1 15 0  52 o 65.774  2.2319 34.095   2.2954  34.095   2.2954  34.095   2.2954  65.774  2.2319 65.774  2.2319 0.000000       0.000000 
1 1 1 15 0  53 o 26.554  4.2214 5.9666   1.6242  5.9666   1.6242  5.9666   1.6242  26.554  4.2214 26.554  4.2214 0.000000       0.000000 
1 1 1 15 0  54 o 15.994  6.4091 2.8147   1.5606  2.8147   1.5606  2.8147   1.5606  15.994  6.4091 15.994  6.4091 -0.000000      0.000000 
1 1 1 15 0  55 o 39.816  2.9181 12.678   1.7989  12.678   1.7989  12.678   1.7989  39.816  2.9181 39.816  2.9181 -0.000000      0.000000 
1 1 1 15 0  56 o 80.427  1.7196 50.854   2.1658  50.854   2.1658  50.854   2.1658  80.427  1.7196 80.427  1.7196 0.000000       0.000000 
1 1 1 15 0  57 o 139.316 1.9060 152.544  4.1609  152.544  4.1609  152.544  4.1609  139.316 1.9060 139.316 1.9060 0.000000       0.000000 
1 1 1 15 0  58 o 6.8321  4.4809 -0.1715  1.2009  -0.1715  1.2009  -0.1715  1.2009  6.8321  4.4809 6.8321  4.4809 -0.000000      0.000000 
1 1 1 15 0  59 o 77.662  1.7083 47.438   2.0775  47.438   2.0775  47.438   2.0775  77.662  1.7083 77.662  1.7083 -0.000000      0.000000 
1 1 1 15 0  60 o 41.349  2.2436 13.568   1.4445  13.568   1.4445  13.568   1.4445  41.349  2.2436 41.349  2.2436 -0.000000      0.000000 
1 1 1 15 0  61 o 50.824  2.2238 20.442   1.7641  20.442   1.7641  20.442   1.7641  50.824  2.2238 50.824  2.2238 -0.000000      0.000000 
1 1 1 15 0  62 o 66.408  2.2781 34.844   2.3653  34.844   2.3653  34.844   2.3653  66.408  2.2781 66.408  2.2781 0.000000       0.000000 
1 1 1 15 0  63 o 4.7714  3.4064 -1.6850  1.1442  -1.6850  1.1442  -1.6850  1.1442  4.7714  3.4064 4.7714  3.4064 -0.000000      0.000000 
1 1 1 15 0  64 o 91.526  1.7113 65.933   2.4534  65.933   2.4534  65.933   2.4534  91.526  1.7113 91.526  1.7113 -0.000000      0.000000 
1 1 1 15 0  65 o 12.105  5.6176 1.7285   1.1806  1.7285   1.1806  1.7285   1.1806  12.105  5.6176 12.105  5.6176 -0.000000      0.000000 
1 1 1 15 0  66 o 78.259  1.7819 48.278   2.1836  48.278   2.1836  48.278   2.1836  78.259  1.7819 78.259  1.7819 -0.000000      0.000000 
1 1 1 15 0  67 o 38.602  2.2367 11.880   1.3431  11.880   1.3431  11.880   1.3431  38.602  2.2367 38.602  2.2367 -0.000000      0.000000 
1 1 1 15 0  68 o 37.808  4.0934 11.878   2.3541  11.878   2.3541  11.878   2.3541  37.808  4.0934 37.808  4.0934 -0.000000      0.000000 
1 1 1 15 0  69 o 13.379  6.9396 2.2459   1.8836  2.2459   1.8836  2.2459   1.8836  13.379  6.9396 13.379  6.9396 -0.000000      0.000000 
1 1 1 15 0  70 o 10.422  6.2925 1.0347   1.8806  1.0347   1.8806  1.0347   1.8806  10.422  6.2925 10.422  6.2925 -0.000000      0.000000 
1 1 1 15 0  71 o 38.085  3.6756 12.008   2.1476  12.008   2.1476  12.008   2.1476  38.085  3.6756 38.085  3.6756 0.000000       0.000000 
1 1 1 15 0  72 o 51.875  2.9037 21.709   2.3444  21.709   2.3444  21.709   2.3444  51.875  2.9037 51.875  2.9037 -0.000000      0.000000 
1 1 1 15 0  73 o 21.110  6.7323 4.7271   1.9628  4.7271   1.9628  4.7271   1.9628  21.110  6.7323 21.110  6.7323 0.000000       0.000000 
1 1 1 15 0  74 o 11.518  6.5821 1.6287   1.8716  1.6287   1.8716  1.6287   1.8716  11.518  6.5821 11.518  6.5821 -0.000000      0.000000 
1 1 1 15 0  75 f 8.6846  5.6926 0.0304   1.9341  0.0304   1.9341  0.0304   1.9341  8.6846  5.6926 8.6846  5.6926 -0.000000      0.000000 
1 1 1 15 0  76 o 11.043  6.4746 1.4521   1.8846  1.4521   1.8846  1.4521   1.8846  11.043  6.4746 11.043  6.4746 -0.000000      0.000000 
1 1 1 15 0  77 o 21.036  6.1270 4.5696   1.7542  4.5696   1.7542  4.5696   1.7542  21.036  6.1270 21.036  6.1270 0.000000       0.000000 
1 1 1 15 0  78 o 52.274  2.7064 22.157   2.2043  22.157   2.2043  22.157   2.2043  52.274  2.7064 52.274  2.7064 0.000000       0.000000 
1 1 1 15 0  79 o 50.495  3.3144 21.120   2.5977  21.120   2.5977  21.120   2.5977  50.495  3.3144 50.495  3.3144 0.000000       0.000000 
1 1 1 15 0  80 o 14.894  8.5818 3.6776   3.2214  3.6776   3.2214  3.6776   3.2214  14.894  8.5818 14.894  8.5818 -0.000000      0.000000 
1 1 1 15 1  0  f 182.261 2.4669 260.568  7.0456  260.568  7.0456  260.568  7.0456  182.261 2.4669 182.261 2.4669 0.000000       0.000000 
1 1 1 15 1  1  o 280.878 2.3050 618.577  10.149  615.217  14.257  622.029  14.451  280.072 3.2473 281.617 3.2734 -1.545074      4.610826 
1 1 1 15 1  2  o 194.660 2.0878 297.089  6.3712  306.562  9.2561  288.561  8.7829  197.712 2.9864 191.822 2.9207 5.890366       4.177174 
1 1 1 15 1  3  o 354.671 2.9709 986.512  16.519  985.167  21.874  988.297  25.199  354.360 3.9375 354.870 4.5296 -0.5101624     6.001812 
1 1 1 15 1  4  o 434.470 3.1257 1480.46  21.289  1470.03  28.397  1493.83  32.171  432.838 4.1850 436.268 4.7038 -3.430450      6.296029 
1 1 1 15 1  5  o 112.068 1.3983 98.456   2.4566  96.273   3.4832  100.616  3.4651  110.812 2.0051 113.285 1.9512 -2.472130      2.797779 
1 1 1 15 1  6  o 278.452 2.1739 607.927  9.4897  616.282  14.440  601.575  12.590  280.307 3.2861 276.962 2.8998 3.344788       4.382578 
1 1 1 15 1  7  o 200.671 1.7573 315.702  5.5283  315.820  8.3246  315.609  7.3943  200.684 2.6460 200.626 2.3510 0.5792236E-01  3.539604 
1 1 1 15 1  8  o 403.224 2.7845 1275.06  17.601  1247.27  27.202  1295.09  23.086  398.660 4.3525 406.307 3.6244 -7.646088      5.663966 
1 1 1 15 1  9  o 204.275 1.6809 327.140  5.3828  325.738  7.6045  328.548  7.6205  203.817 2.3800 204.695 2.3748 -0.8774261     3.362119 
1 1 1 15 1  10 o 82.288  1.4134 53.083   1.8233  53.587   2.6175  52.609   2.5412  82.672  2.0197 81.914  1.9789 0.7574539      2.827557 
1 1 1 15 1  11 f 113.081 1.4710 100.247  2.6076  103.437  3.5462  96.492   3.8476  114.859 1.9695 110.933 2.2125 3.926750       2.962059 
1 1 1 15 1  12 o 496.186 3.3424 1931.35  25.999  1943.85  37.010  1919.17  36.532  497.587 4.7445 494.422 4.7132 3.164703       6.687669 
1 1 1 15 1  13 o 215.283 1.7358 363.363  5.8582  377.757  8.5605  350.685  8.0340  219.480 2.4880 211.472 2.4234 8.008270       3.473188 
1 1 1 15 1  14 o 254.620 2.0351 508.320  8.1233  504.351  12.099  511.579  10.962  253.577 3.0435 255.404 2.7377 -1.826797      4.093627 
1 1 1 15 1  15 o 180.969 1.5807 256.750  4.4844  249.560  6.1999  264.640  6.4942  178.401 2.2168 183.711 2.2550 -5.309952      3.162145 
1 1 1 15 1  16 f 186.015 1.5992 271.274  4.6635  269.750  6.5593  272.832  6.6318  185.473 2.2559 186.529 2.2679 -1.056000      3.198857 
1 1 1 15 1  17 o 135.053 1.4141 142.990  2.9938  144.637  4.2955  141.433  4.1750  135.817 2.0174 134.305 1.9829 1.512100       2.828783 
1 1 1 15 1  18 o 123.754 1.3969 120.064  2.7100  120.634  3.8453  119.502  3.8198  124.037 1.9776 123.453 1.9737 0.5833054      2.793995 
1 1 1 15 1  19 o 270.568 2.0168 574.029  8.5547  577.364  12.172  570.773  12.025  271.304 2.8619 269.752 2.8437 1.551666       4.034498 
1 1 1 15 1  20 o 65.996  1.5008 34.147   1.5527  36.634   2.2492  31.883   2.1461  68.350  2.0991 63.764  2.1469 4.585976       3.002592 
1 1 1 15 1  21 o 167.024 1.6071 218.720  4.2079  217.726  6.3125  219.514  5.6451  166.619 2.4167 167.311 2.1523 -0.6924744     3.236148 
1 1 1 15 1  22 o 262.331 2.0833 539.639  8.5674  527.775  11.259  555.957  13.205  259.390 2.7688 266.196 3.1642 -6.805603      4.204594 
1 1 1 15 1  23 o 150.231 1.4664 176.943  3.4537  180.703  4.9593  173.402  4.8124  151.803 2.0839 148.705 2.0644 3.097626       2.933333 
1 1 1 15 1  24 o 129.588 1.4136 131.656  2.8718  136.247  4.1649  127.494  3.9652  131.815 2.0155 127.511 1.9836 4.303574       2.827917 
1 1 1 15 1  25 o 246.139 1.8863 475.052  7.2786  469.578  10.197  480.739  10.393  244.673 2.6585 247.563 2.6779 -2.889465      3.773430 
1 1 1 15 1  26 o 259.428 1.9603 527.751  7.9725  530.313  11.336  525.244  11.215  260.004 2.7811 258.760 2.7646 1.244568       3.921481 
1 1 1 15 1  27 o 161.344 1.5104 204.095  3.8203  209.151  5.4850  199.332  5.3239  163.309 2.1425 159.431 2.1301 3.878799       3.021179 
1 1 1 15 1  28 f 92.734  1.4662 67.422   2.1315  66.064   3.1164  68.617   2.9218  91.782  2.1659 93.542  1.9925 -1.760239      2.942983 
1 1 1 15 1  29 o 140.167 1.4519 154.035  3.1904  154.051  4.4924  154.018  4.5317  140.158 2.0446 140.142 2.0627 0.1593018E-01  2.904357 
1 1 1 15 1  30 o 155.242 1.4918 188.955  3.6305  193.972  5.2268  184.278  5.0466  157.269 2.1200 153.289 2.1001 3.979431       2.984071 
1 1 1 15 1  31 o 210.847 1.7242 348.590  5.6992  349.464  8.0513  347.713  8.0685  211.073 2.4332 210.543 2.4445 0.5301056      3.449101 
1 1 1 15 1  32 o 20.771  3.8820 3.4980   1.2176  3.5013   1.7214  3.4947   1.7224  20.705  5.2854 20.686  5.2902 0.1843452E-01  7.478136 
1 1 1 15 1  33 o 23.756  3.3736 4.5186   1.2211  3.7169   1.7156  5.3417   1.7383  21.315  5.1843 25.701  4.4771 -4.386726      6.849904 
1 1 1 15 1  34 o 265.360 1.9954 552.252  8.3007  545.620  11.614  559.179  11.869  263.689 2.8094 266.943 2.8362 -3.253448      3.992081 
1 1 1 15 1  35 o 152.205 1.4832 181.645  3.5390  179.499  4.9682  183.854  5.0424  151.279 2.0949 153.103 2.1009 -1.823853      2.966862 
1 1 1 15 1  36 o 115.717 1.4039 104.991  2.5468  102.602  3.5535  107.515  3.6520  114.375 1.9819 117.081 1.9897 -2.706467      2.808337 
1 1 1 15 1  37 o 61.612  1.6063 29.768   1.5515  29.320   2.1865  30.222   2.2017  61.133  2.2815 62.067  2.2628 -0.9336357     3.213372 
1 1 1 15 1  38 o 143.844 1.3927 162.240  3.1404  161.347  4.6147  163.010  4.2859  143.417 2.0525 144.163 1.8964 -0.7455139     2.794523 
1 1 1 15 1  39 o 75.202  1.4088 44.346   1.6608  42.494   2.4207  45.993   2.2829  73.597  2.0981 76.573  1.9018 -2.976120      2.831717 
1 1 1 15 1  40 o 73.840  1.4067 42.756   1.6283  44.470   2.4044  41.304   2.2131  75.288  2.0372 72.561  1.9455 2.726700       2.816930 
1 1 1 15 1  41 o 118.831 1.3495 110.732  2.5139  112.083  3.7308  109.609  3.4023  119.523 1.9911 118.205 1.8360 1.318176       2.708420 
1 1 1 15 1  42 o 164.164 1.4524 211.362  3.7377  213.571  5.5436  209.521  5.0611  164.964 2.1436 163.408 1.9757 1.556091       2.915216 
1 1 1 15 1  43 o 56.377  1.4759 24.930   1.3044  22.259   1.9469  27.105   1.7571  53.245  2.3324 58.773  1.9071 -5.527550      3.012850 
1 1 1 15 1  44 o 90.849  1.2621 64.729   1.7975  60.943   2.6827  67.814   2.4215  88.119  1.9420 92.970  1.6615 -4.850342      2.555714 
1 1 1 15 1  45 o 57.040  1.4414 25.523   1.2889  26.353   1.9895  24.922   1.6919  57.929  2.1908 56.348  1.9153 1.581673       2.909967 
1 1 1 15 1  46 o 26.180  2.3684 5.4289   0.9615  4.9347   1.4195  5.8478   1.3070  24.737  3.7805 27.078  3.1370 -2.341095      4.912518 
1 1 1 15 1  47 o 59.906  1.3566 28.154   1.2740  26.104   1.8308  30.079   1.7741  57.652  2.0256 61.898  1.8283 -4.245914      2.728714 
1 1 1 15 1  48 o 24.415  2.6157 4.7421   0.9855  7.5754   1.5906  2.9769   1.2556  30.819  3.3460 19.024  4.3099 11.79562       5.456313 
1 1 1 15 1  49 o 67.979  1.4315 36.265   1.5255  36.522   2.6462  36.137   1.8670  68.140  2.4772 67.839  1.7556 0.3003082      3.036216 
1 1 1 15 1  50 o 86.208  1.2808 58.313   1.7310  56.362   2.6910  59.690   2.2608  84.689  2.0269 87.190  1.6540 -2.501190      2.616126 
1 1 1 15 1  51 o 40.663  1.9588 12.994   1.2487  13.639   2.0451  12.610   1.5767  41.456  3.1708 39.945  2.5309 1.510872       4.057054 
1 1 1 15 1  52 o 51.241  1.5230 20.615   1.2234  20.584   1.9463  20.636   1.5730  51.136  2.4279 51.239  1.9583 -0.1032677     3.119239 
1 1 1 15 1  53 o 26.038  2.4130 5.3834   0.9738  6.7990   1.6549  4.6338   1.2043  29.068  3.7168 23.996  3.2878 5.071814       4.962314 
1 1 1 15 1  54 o 52.355  1.5012 21.525   1.2321  23.313   2.0387  20.496   1.5466  54.409  2.3902 51.057  1.9323 3.351738       3.073505 
1 1 1 15 1  55 o 59.402  1.6560 27.725   1.5421  27.820   2.1664  27.626   2.1957  59.435  2.3251 59.223  2.3650 0.2124939      3.316519 
1 1 1 15 1  56 o 48.990  1.7097 18.863   1.3130  18.968   1.9830  18.780   1.7522  48.974  2.5921 48.831  2.2890 0.1430168      3.458084 
1 1 1 15 1  57 o 62.707  1.6064 30.900   1.5792  30.795   2.1962  31.012   2.2723  62.526  2.2406 62.737  2.3104 -0.2107277     3.218380 
1 1 1 15 1  58 o 28.235  2.4079 6.3313   1.0556  5.0596   1.4479  7.7740   1.5422  24.944  3.8249 31.169  3.2018 -6.225138      4.988080 
1 1 1 15 1  59 o 105.864 1.3492 88.022   2.2391  87.030   2.9602  89.349   3.4232  105.184 1.7952 106.519 2.0500 -1.334908      2.724937 
1 1 1 15 1  60 o 66.027  1.5192 34.266   1.5725  34.721   1.9768  33.481   2.5949  66.414  1.8987 65.107  2.5424 1.307014       3.173116 
1 1 1 15 1  61 o 58.302  1.6588 26.738   1.5161  28.408   2.0832  24.857   2.2107  60.014  2.2142 56.087  2.5142 3.926594       3.350273 
1 1 1 15 1  62 o 49.362  2.0548 19.211   1.5901  22.095   2.5658  17.413   2.0260  52.649  3.1226 46.804  2.7736 5.844810       4.176592 
1 1 1 15 1  63 o 49.967  1.7525 19.661   1.3728  18.628   1.8513  20.922   2.0461  48.471  2.4442 51.414  2.5385 -2.942795      3.523973 
1 1 1 15 1  64 o 19.893  3.2851 3.2359   0.9887  3.1636   1.1951  3.3927   1.7600  19.489  4.0444 19.985  5.4619 -0.4959850     6.796234 
1 1 1 15 1  65 o 45.702  1.8263 16.471   1.3085  17.371   1.4896  13.430   2.7381  46.902  2.0260 40.484  4.3844 6.418308       4.829828 
1 1 1 15 1  66 o 33.776  1.8836 9.0326   0.9934  8.7071   1.2551  9.5786   1.6254  33.048  2.4399 34.518  3.0345 -1.470070      3.893760 
1 1 1 15 1  67 o 54.596  1.3093 23.451   1.1206  22.957   1.4457  24.197   1.7738  53.946  1.7095 55.309  2.0457 -1.362152      2.665969 
1 1 1 15 1  68 o 43.408  1.7662 14.880   1.2019  17.026   2.0604  13.773   1.4797  46.070  2.8670 41.601  2.2775 4.469383       3.661563 
1 1 1 15 1  69 o 13.965  4.1871 1.6238   0.9893  1.5939   1.8190  1.6363   1.1789  15.127  5.6724 14.195  4.6200 0.9314003      7.315810 
1 1 1 15 1  70 o 17.843  3.4455 2.6597   0.9289  0.4172   1.8403  3.4263   1.0760  12.784  5.3848 20.291  3.5095 -7.507791      6.427506 
1 1 1 15 1  71 o 15.981  5.1936 2.1462   1.4899  2.0661   2.0789  2.2307   2.1364  16.464  6.0857 16.894  6.1814 -0.4303684     8.674385 
1 1 1 15 1  72 o 19.664  4.9460 3.3918   1.5233  2.2597   2.1127  4.6176   2.1983  16.869  6.1509 22.535  6.0816 -5.665876      8.649814 
1 1 1 15 1  73 o 35.226  3.0881 10.113   1.6881  10.477   2.4543  9.7868   2.3256  35.095  4.5693 33.955  4.4782 1.139538       6.397907 
1 1 1 15 1  74 o 69.507  2.0373 38.430   2.2199  39.161   3.2368  37.782   3.0503  69.596  2.9667 68.445  2.8428 1.150818       4.108878 
1 1 1 15 1  75 o 10.393  4.5849 -0.2097  1.4598  0.0524   2.1011  -0.4543  2.0297  12.743  5.5644 11.844  5.3042 0.8987122      7.687441 
1 1 1 15 1  76 o 29.079  3.5637 7.0479   1.5906  6.3821   2.3041  7.6539   2.1984  26.481  5.7175 29.580  4.9133 -3.098339      7.538590 
1 1 1 15 1  77 o 14.825  5.1874 1.8183   1.4868  0.7590   2.1319  2.8212   2.0745  13.784  5.8005 17.785  6.1329 -4.000369      8.441451 
1 1 1 15 1  78 o 30.534  3.1797 7.7220   1.4997  7.5032   2.3674  7.8687   1.9383  28.693  5.4626 30.248  4.2009 -1.555391      6.891117 
1 1 1 15 1  79 o 25.380  3.8735 5.5318   1.4923  3.9864   2.4820  6.4068   1.8676  20.098  6.7114 26.902  4.5932 -6.804390      8.132658 
1 1 1 15 2  0  o 31.788  3.4148 8.1942   1.6521  8.1942   1.6521  8.1942   1.6521  31.788  3.4148 31.788  3.4148 0.000000       0.000000 
1 1 1 15 2  1  o 222.913 1.6936 389.569  5.9183  395.179  8.1102  383.178  8.6560  224.494 2.3045 221.051 2.4979 3.442291       3.398515 
1 1 1 15 2  2  o 78.322  1.3757 48.090   1.6891  48.802   2.2947  47.248   2.4955  78.896  1.8553 77.627  2.0506 1.268585       2.765344 
1 1 1 15 2  3  o 168.137 1.4605 221.623  3.8495  215.704  5.1208  229.313  5.8373  165.866 1.9694 171.013 2.1774 -5.147079      2.935869 
1 1 1 15 2  4  o 103.379 1.3824 83.781   2.2404  91.130   3.2735  77.305   3.0728  107.810 1.9368 99.296  1.9740 8.514542       2.765517 
1 1 1 15 2  5  o 27.746  2.8586 6.1020   1.2256  6.7097   1.6368  5.3264   1.8491  29.012  3.6817 25.635  4.7768 3.376444       6.030990 
1 1 1 15 2  6  o 276.497 2.1571 599.451  9.3500  593.777  12.429  606.849  14.191  275.149 2.8815 278.138 3.2547 -2.988831      4.346936 
1 1 1 15 2  7  o 105.923 1.4521 87.958   2.4112  90.966   3.2918  84.475   3.5419  107.713 1.9494 103.795 2.1767 3.917908       2.922065 
1 1 1 15 2  8  o 174.318 1.7359 238.235  4.7436  237.074  5.9719  240.221  7.8086  173.881 2.1908 175.009 2.8462 -1.128433      3.591699 
1 1 1 15 2  9  o 218.258 2.1014 373.510  7.1900  385.820  9.7559  358.874  10.638  221.798 2.8058 213.896 3.1724 7.902313       4.235185 
1 1 1 15 2  10 o 344.532 3.1500 931.099  17.014  963.669  24.862  902.414  23.332  350.371 4.5264 339.068 4.3895 11.30322       6.305289 
1 1 1 15 2  11 o 372.943 3.1181 1090.99  18.230  1079.50  21.351  1121.92  35.022  370.922 3.6718 377.840 5.9127 -6.917633      6.959990 
1 1 1 15 2  12 o 220.561 1.8714 381.420  6.4707  375.984  8.5911  388.546  9.8367  218.959 2.5028 222.572 2.8192 -3.612579      3.769888 
1 1 1 15 2  13 o 91.804  1.4956 66.074   2.1525  63.541   2.8400  69.492   3.2995  90.021  2.0124 94.138  2.2358 -4.117401      3.008097 
1 1 1 15 2  14 o 225.777 2.0132 399.699  7.1254  396.315  9.9733  403.227  10.184  224.781 2.8303 226.731 2.8651 -1.949844      4.027309 
1 1 1 15 2  15 o 343.645 2.4341 926.128  13.113  935.325  18.737  917.298  18.358  345.255 3.4618 341.916 3.4250 3.339630       4.869754 
1 1 1 15 2  16 f 129.242 1.4295 130.952  2.8964  136.054  4.2028  126.337  3.9971  131.723 2.0353 126.933 2.0087 4.790298       2.859590 
1 1 1 15 2  17 o 108.744 1.3213 92.706   2.2525  93.206   3.0597  92.113   3.3283  109.030 1.7901 108.386 1.9588 0.6444702      2.653606 
1 1 1 15 2  18 o 173.976 1.4812 237.297  4.0397  235.742  5.4522  239.190  6.0151  173.390 2.0058 174.646 2.1970 -1.256500      2.974926 
1 1 1 15 2  19 o 44.595  1.7812 15.593   1.2452  16.650   1.7036  14.379   1.8247  46.016  2.3696 42.728  2.7386 3.288383       3.621450 
1 1 1 15 2  20 o 93.507  1.3993 68.549   2.0511  66.662   2.8860  70.474   2.9157  92.203  1.9966 94.803  1.9619 -2.600128      2.799205 
1 1 1 15 2  21 o 143.798 1.4585 162.114  3.2878  167.400  4.7412  157.218  4.5632  146.108 2.0699 141.595 2.0557 4.512878       2.917323 
1 1 1 15 2  22 o 276.164 1.9585 598.037  8.4791  600.306  11.526  595.361  12.518  276.642 2.6577 275.482 2.8986 1.160461       3.932549 
1 1 1 15 2  23 o 210.968 1.7203 348.973  5.6894  356.006  7.4465  339.109  8.8183  213.061 2.2294 207.919 2.7054 5.142914       3.505681 
1 1 1 15 2  24 o 133.707 1.3639 140.158  2.8588  134.555  3.7825  147.622  4.3657  130.997 1.8419 137.205 2.0297 -6.208237      2.740852 
1 1 1 15 2  25 o 94.688  1.3484 70.291   2.0016  71.183   2.7055  69.213   2.9750  95.279  1.8113 93.948  2.0200 1.331642       2.713140 
1 1 1 15 2  26 o 258.892 1.8731 525.571  7.6020  532.523  10.392  517.570  11.149  260.555 2.5443 256.854 2.7688 3.701080       3.760292 
1 1 1 15 2  27 o 63.634  1.5352 31.749   1.5315  31.928   2.0428  31.519   2.3141  63.807  2.0422 63.392  2.3286 0.4149132      3.097244 
1 1 1 15 2  28 o 37.010  2.1674 10.779   1.2520  11.003   1.6995  10.513   1.8515  37.333  2.9272 36.453  3.2748 0.8799706      4.392400 
1 1 1 15 2  29 o 98.062  1.4192 75.394   2.1817  75.585   2.8287  75.113   3.4275  98.178  1.8379 97.862  2.2341 0.3166275      2.892972 
1 1 1 15 2  30 o 170.733 1.4881 228.550  3.9830  227.948  5.3587  229.293  5.9537  170.488 2.0050 170.980 2.2212 -0.4922180     2.992264 
1 1 1 15 2  31 f 122.734 1.3780 118.104  2.6514  118.945  3.5779  117.080  3.9489  123.157 1.8532 122.181 2.0616 0.9760742      2.772109 
1 1 1 15 2  32 o 110.897 1.4114 96.424   2.4537  92.893   3.3884  100.316  3.5580  108.833 1.9860 113.097 2.0068 -4.264076      2.823379 
1 1 1 15 2  33 o 103.089 1.3089 83.322   2.1154  83.639   2.9808  83.001   3.0025  103.272 1.8412 102.877 1.8617 0.3951797      2.618371 
1 1 1 15 2  34 o 132.895 1.3370 138.471  2.7855  142.873  3.9733  134.217  3.9062  134.972 1.8778 130.818 1.9047 4.153458       2.674714 
1 1 1 15 2  35 o 65.950  1.4708 34.104   1.5207  34.121   2.1041  34.086   2.2002  65.955  2.0350 65.919  2.1291 0.3608704E-01  2.945206 
1 1 1 15 2  36 o 195.508 1.5189 299.732  4.6553  293.620  6.4497  306.379  6.7261  193.466 2.1266 197.622 2.1711 -4.155228      3.039055 
1 1 1 15 2  37 o 115.736 1.3027 105.028  2.3635  106.487  3.3137  103.517  3.3721  116.519 1.8141 114.881 1.8724 1.638321       2.607070 
1 1 1 15 2  38 o 121.107 1.3012 115.005  2.4704  114.524  3.4323  115.521  3.5586  120.834 1.8120 121.355 1.8705 -0.5216980     2.604237 
1 1 1 15 2  39 o 103.555 1.2920 84.088   2.0974  82.551   2.9039  85.765   3.0326  102.585 1.8057 104.561 1.8501 -1.976105      2.585233 
1 1 1 15 2  40 o 90.249  1.2994 63.870   1.8384  63.479   2.5647  64.282   2.6366  89.954  1.8187 90.520  1.8580 -0.5656509     2.600018 
1 1 1 15 2  41 o 57.098  1.5011 25.571   1.3436  25.862   1.8793  25.266   1.9217  57.405  2.0883 56.737  2.1606 0.6681099      3.004868 
1 1 1 15 2  42 o 45.900  1.6811 16.529   1.2096  16.936   1.6681  16.077   1.7567  46.445  2.2910 45.176  2.4901 1.268719       3.383695 
1 1 1 15 2  43 o 78.894  1.3160 48.819   1.6276  47.069   2.2239  50.837   2.3886  77.445  1.8317 80.482  1.8931 -3.036415      2.634247 
1 1 1 15 2  44 o 68.193  1.4321 36.480   1.5309  35.682   2.2325  37.188   2.1034  67.410  2.1126 68.827  1.9494 -1.417145      2.874581 
1 1 1 15 2  45 o 47.800  1.6767 17.932   1.2564  18.947   1.8506  17.063   1.7112  49.102  2.4041 46.541  2.3530 2.561871       3.364003 
1 1 1 15 2  46 o 64.489  1.4340 32.631   1.4497  35.530   2.1567  30.242   1.9580  67.257  2.0455 62.053  2.0128 5.204037       2.869781 
1 1 1 15 2  47 o 71.980  1.3263 40.650   1.4966  42.938   2.1143  38.352   2.1189  73.947  1.8239 69.878  1.9343 4.068916       2.658537 
1 1 1 15 2  48 o 81.212  1.3685 51.755   1.7423  54.686   2.3531  48.197   2.5923  83.447  1.7988 78.312  2.1115 5.135437       2.773852 
1 1 1 15 2  49 o 81.280  1.4291 51.851   1.8210  52.579   2.8896  51.372   2.3452  81.769  2.2542 80.868  1.8499 0.9014359      2.916099 
1 1 1 15 2  50 f 82.999  1.3893 54.069   1.8077  54.684   2.7496  53.600   2.3992  83.399  2.1031 82.596  1.8529 0.8026505      2.802860 
1 1 1 15 2  51 o 53.003  1.7359 22.069   1.4424  22.444   2.1043  21.738   1.9809  53.385  2.5144 52.550  2.4046 0.8355255      3.479145 
1 1 1 15 2  52 o 19.128  3.5529 2.9870   1.0262  1.8697   1.7319  3.5915   1.2739  16.069  5.5999 20.930  4.0285 -4.861565      6.898431 
1 1 1 15 2  53 o 43.120  1.8067 14.614   1.2213  18.706   2.2112  12.818   1.4650  48.592  2.9162 40.281  2.3300 8.311768       3.732720 
1 1 1 15 2  54 o 64.601  1.5155 32.778   1.5348  30.385   2.4628  34.298   1.9624  62.084  2.5305 66.043  1.8955 -3.958683      3.161643 
1 1 1 15 2  55 o 137.488 1.5282 148.493  3.2939  147.683  5.1035  149.071  4.3124  136.899 2.3780 137.648 1.9984 -0.7487335     3.106223 
1 1 1 15 2  56 o 62.725  1.7258 30.931   1.6970  27.339   2.7803  33.064   2.1424  58.715  3.0309 64.805  2.1088 -6.090359      3.692315 
1 1 1 15 2  57 o 51.961  1.9913 21.252   1.6221  22.612   2.2915  19.886   2.2964  53.430  2.7451 50.058  2.9392 3.372238       4.021713 
1 1 1 15 2  58 o 70.866  1.9074 39.525   2.1191  40.460   2.7058  38.040   3.4079  71.613  2.4101 69.283  3.1377 2.330376       3.956479 
1 1 1 15 2  59 o 90.481  1.6137 64.371   2.2890  63.920   3.2393  64.821   3.2348  90.020  2.2954 90.657  2.2761 -0.6369934     3.232621 
1 1 1 15 2  60 o 89.188  1.4150 62.512   1.9785  61.839   2.5365  63.558   3.1616  88.631  1.8256 89.755  2.2470 -1.124496      2.895084 
1 1 1 15 2  61 o 69.413  1.4787 37.882   1.6091  37.852   2.0401  37.932   2.6175  69.321  1.8774 69.284  2.4100 0.3659058E-01  3.054883 
1 1 1 15 2  62 o 49.521  1.9544 19.334   1.5172  19.942   2.1692  18.751   2.1229  50.073  2.7742 48.543  2.8015 1.529930       3.942672 
1 1 1 15 2  63 o 30.877  2.3167 7.5807   1.1132  6.9414   1.4592  8.4709   1.7218  29.338  3.2259 32.384  3.4445 -3.046041      4.719198 
1 1 1 15 2  64 o 12.312  4.1468 1.1566   0.9476  1.0526   1.1802  1.3454   1.5899  12.520  4.5923 14.261  5.3119 -1.741233      7.021808 
1 1 1 15 2  65 o 16.111  3.6461 2.1674   0.8994  3.0145   1.1818  1.0013   1.3866  18.955  4.0964 12.894  4.9255 6.061267       6.406315 
1 1 1 15 2  66 o 18.931  3.0895 2.9369   0.8853  4.8638   1.1750  0.4072   1.3463  24.462  3.1361 11.359  4.6806 13.10387       5.634101 
1 1 1 15 2  67 o 10.073  3.7699 0.6371   0.8027  0.8072   1.0260  0.3687   1.2886  11.315  4.2568 11.053  4.5692 0.2619982      6.244809 
1 1 1 15 2  68 o 53.239  2.0500 22.464   1.7110  22.038   2.3779  22.920   2.4637  52.368  2.9080 53.387  2.9552 -1.018543      4.146051 
1 1 1 15 2  69 o 35.906  2.1415 10.274   1.2000  5.2329   1.9849  13.177   1.5064  24.456  5.3280 40.606  2.3768 -16.15016      5.834126 
1 1 1 15 2  70 o 16.960  3.9801 2.4524   1.0400  4.0247   1.8905  1.7701   1.2454  21.264  5.5954 14.628  4.7480 6.635762       7.338419 
1 1 1 15 2  71 o 27.078  2.6118 5.9262   1.0949  6.6263   2.0222  5.6358   1.3024  27.719  4.8292 26.189  3.2414 1.529942       5.816206 
1 1 1 15 2  72 o 32.389  2.6763 8.4790   1.3467  8.3701   2.1273  8.5518   1.7397  31.377  4.4495 32.189  3.5041 -0.8124237     5.663644 
1 1 1 15 2  73 o 52.338  2.4451 21.933   2.0062  19.899   2.5358  25.335   3.2799  49.332  3.2980 55.319  3.8052 -5.987034      5.035489 
1 1 1 15 2  74 o 28.664  3.8692 6.9011   1.6943  5.7298   2.1323  8.9071   2.7904  25.229  5.5428 31.387  5.8873 -6.158018      8.085971 
1 1 1 15 2  75 o 17.329  5.3539 2.6664   1.6013  1.7034   1.9940  4.4152   2.6871  15.329  5.8945 21.515  6.9735 -6.186164      9.130966 
1 1 1 15 2  76 o 19.462  4.8040 3.3752   1.4569  2.7812   2.0328  4.0026   2.0890  17.678  6.0723 20.689  6.0549 -3.011765      8.575266 
1 1 1 15 2  77 o 17.316  5.0297 2.7028   1.4463  2.5991   1.9479  2.8301   2.1592  17.094  5.9401 17.730  6.2479 -0.6362171     8.620961 
1 1 1 15 2  78 o 11.384  4.9161 0.2055   1.6029  -1.5612  2.5392  1.3760   2.0668  11.753  5.5032 14.524  5.8685 -2.771202      8.045115 
1 1 1 15 3  0  o 257.167 2.7691 518.717  11.161  518.717  11.161  518.717  11.161  257.167 2.7691 257.167 2.7691 0.000000       0.000000 
1 1 1 15 3  1  o 116.796 1.4173 106.941  2.5950  101.280  3.5695  113.287  3.7794  113.654 2.0034 120.202 2.0056 -6.548370      2.834810 
1 1 1 15 3  2  o 280.657 2.1905 617.635  9.6378  643.686  14.957  599.140  12.603  286.448 3.3309 276.385 2.9087 10.06235       4.422143 
1 1 1 15 3  3  o 202.403 1.6856 321.188  5.3483  321.699  7.5560  320.674  7.5713  202.541 2.3797 202.218 2.3884 0.3234558      3.371552 
1 1 1 15 3  4  o 193.186 1.6424 292.599  4.9741  288.323  6.9566  297.072  7.1149  191.748 2.3142 194.635 2.3318 -2.886978      3.285281 
1 1 1 15 3  5  o 212.494 1.7319 354.018  5.7694  357.152  8.2204  350.976  8.0992  213.406 2.4572 211.553 2.4421 1.852432       3.464332 
1 1 1 15 3  6  o 245.505 1.8988 472.581  7.3079  479.216  10.472  466.283  10.203  247.184 2.7024 243.827 2.6693 3.356430       3.798447 
1 1 1 15 3  7  o 286.055 2.1119 641.635  9.4705  630.299  13.163  653.802  13.637  283.465 2.9620 288.698 3.0131 -5.232758      4.225204 
1 1 1 15 3  8  o 369.950 2.4736 1073.35  14.346  1089.92  19.724  1054.73  20.904  372.710 3.3758 366.615 3.6372 6.094391       4.962351 
1 1 1 15 3  9  o 247.306 1.8222 479.533  7.0644  479.900  9.5777  479.095  10.462  247.370 2.4698 247.150 2.7002 0.2203522      3.659343 
1 1 1 15 3  10 o 135.315 1.4572 143.548  3.0911  147.109  4.0725  138.709  4.7477  136.974 1.8966 132.996 2.2771 3.977798       2.963485 
1 1 1 15 3  11 o 219.935 1.9881 379.288  6.8546  384.858  9.8276  374.011  9.5655  221.503 2.8302 218.361 2.7943 3.141785       3.977208 
1 1 1 15 3  12 o 139.488 1.4539 152.539  3.1792  155.670  4.5384  149.521  4.4549  140.898 2.0547 138.087 2.0579 2.811035       2.908069 
1 1 1 15 3  13 o 76.942  1.5624 46.415   1.8846  45.431   2.5149  47.675   2.8463  76.115  2.1076 77.969  2.3286 -1.853836      3.140799 
1 1 1 15 3  14 o 62.384  1.6939 30.513   1.6566  30.666   2.2116  30.318   2.5003  62.533  2.2561 62.173  2.5653 0.3598824      3.416262 
1 1 1 15 3  15 o 283.805 2.3467 631.680  10.441  626.346  13.076  641.063  17.342  282.560 2.9520 285.772 3.8709 -3.212677      4.868117 
1 1 1 15 3  16 o 147.460 1.6524 170.485  3.8199  173.699  4.8520  165.246  6.1952  148.831 2.0796 145.142 2.7227 3.688705       3.426062 
1 1 1 15 3  17 f 92.373  1.5016 66.898   2.1744  65.193   2.6276  70.603   3.8733  91.183  1.8382 94.875  2.6042 -3.691833      3.187580 
1 1 1 15 3  18 o 232.965 2.0585 425.592  7.5177  430.644  9.6015  417.590  12.085  234.313 2.6139 230.683 3.3419 3.629654       4.242697 
1 1 1 15 3  19 o 181.116 1.8062 257.209  5.1283  255.048  6.4633  260.881  8.4258  180.336 2.2862 182.354 2.9474 -2.017746      3.730151 
1 1 1 15 3  20 o 162.863 1.8440 207.981  4.7081  199.704  6.0747  220.430  7.4504  159.568 2.4284 167.625 2.8352 -8.056931      3.733052 
1 1 1 15 3  21 o 299.031 2.1962 701.263  10.295  692.417  14.387  710.546  14.739  297.064 3.0893 300.924 3.1243 -3.860321      4.393798 
1 1 1 15 3  22 o 57.877  1.7532 26.265   1.5907  25.156   2.2441  27.385   2.2552  56.632  2.5277 59.088  2.4346 -2.456715      3.509485 
1 1 1 15 3  23 o 241.528 1.9911 457.461  7.5389  468.579  10.342  444.855  11.013  244.400 2.6994 238.114 2.9502 6.286377       3.998771 
1 1 1 15 3  24 f 102.439 1.4414 82.274   2.3148  80.103   3.2530  84.501   3.2947  101.066 2.0531 103.805 2.0246 -2.738426      2.883469 
1 1 1 15 3  25 f 187.984 1.6435 277.078  4.8434  273.308  6.8167  280.923  6.8830  186.670 2.3294 189.253 2.3200 -2.583313      3.287603 
1 1 1 15 3  26 o 78.449  1.4392 48.251   1.7699  45.758   2.3695  51.398   2.6622  76.387  1.9787 80.955  2.0977 -4.568375      2.883654 
1 1 1 15 3  27 o 148.584 1.3758 173.090  3.2046  169.317  4.4141  177.294  4.6597  146.939 1.9163 150.358 1.9769 -3.419220      2.753186 
1 1 1 15 3  28 f 143.917 1.3676 162.389  3.0855  156.520  4.2277  169.077  4.5133  141.276 1.9089 146.832 1.9607 -5.555878      2.736480 
1 1 1 15 3  29 o 267.118 1.9239 559.564  8.0562  554.662  10.816  565.672  12.074  265.890 2.5947 268.488 2.8687 -2.598480      3.868103 
1 1 1 15 3  30 o 165.310 1.4236 214.264  3.6893  214.955  5.1914  213.559  5.2439  165.553 2.0003 165.013 2.0271 0.5399933      2.847891 
1 1 1 15 3  31 o 187.912 1.5701 276.880  4.6253  278.291  6.2598  275.184  6.8641  188.361 2.1199 187.293 2.3378 1.068054       3.155842 
1 1 1 15 3  32 o 332.084 2.2693 865.115  11.814  876.625  17.655  855.782  15.898  334.121 3.3706 330.176 3.0715 3.945526       4.560135 
1 1 1 15 3  33 o 155.657 1.4034 189.979  3.4245  189.832  4.7937  190.132  4.8939  155.572 1.9656 155.693 2.0051 -0.1206970     2.807813 
1 1 1 15 3  34 o 75.876  1.4314 45.144   1.7027  50.413   2.4491  40.214   2.3688  80.170  1.9487 71.599  2.1104 8.570816       2.872517 
1 1 1 15 3  35 o 86.766  1.3480 59.031   1.8336  58.368   2.5476  59.743   2.6412  86.263  1.8839 87.272  1.9305 -1.008980      2.697360 
1 1 1 15 3  36 o 49.738  1.7223 19.403   1.3429  17.740   1.8358  21.317   1.9696  47.479  2.4750 52.118  2.4107 -4.638672      3.455054 
1 1 1 15 3  37 o 76.279  1.3896 45.627   1.6616  44.848   2.2864  46.500   2.4191  75.610  1.9289 76.987  2.0044 -1.377014      2.781776 
1 1 1 15 3  38 o 120.979 1.3199 114.771  2.5033  113.038  3.4618  116.670  3.6241  120.037 1.8396 121.947 1.8957 -1.909874      2.641573 
1 1 1 15 3  39 f 156.841 1.3910 192.919  3.4202  190.672  4.7602  195.316  4.9174  155.885 1.9479 157.768 1.9882 -1.883453      2.783397 
1 1 1 15 3  40 o 35.846  2.1658 10.123   1.2113  9.5985   1.7466  10.609   1.6814  34.788  3.2399 36.622  2.9539 -1.834084      4.384344 
1 1 1 15 3  41 o 116.935 1.3050 107.243  2.3922  106.124  3.3293  108.437  3.4396  116.291 1.8262 117.548 1.8666 -1.257248      2.611368 
1 1 1 15 3  42 o 62.396  1.4438 30.541   1.4123  30.541   1.9622  30.541   2.0343  62.373  2.0067 62.369  2.0806 0.3700256E-02  2.890666 
1 1 1 15 3  43 o 42.594  1.7466 14.239   1.1662  14.500   1.6164  13.956   1.6843  42.889  2.4139 42.059  2.5668 0.8302307      3.523528 
1 1 1 15 3  44 o 64.375  1.4108 32.514   1.4238  30.870   1.9663  34.326   2.0643  62.697  2.0005 66.114  1.9917 -3.417061      2.822948 
1 1 1 15 3  45 o 94.443  1.2870 69.975   1.9055  68.066   2.6345  72.069   2.7596  93.107  1.8049 95.804  1.8374 -2.696190      2.575599 
1 1 1 15 3  46 o 42.321  1.7922 14.065   1.1890  14.748   1.7324  13.455   1.6350  43.221  2.5684 41.279  2.5388 1.941319       3.611413 
1 1 1 15 3  47 o 55.576  1.5520 24.246   1.3522  26.600   1.9652  22.130   1.8634  58.171  2.1550 53.052  2.2405 5.118996       3.108665 
1 1 1 15 3  48 o 119.126 1.4263 111.384  2.6636  111.670  4.1510  111.184  3.4729  119.164 2.2221 118.962 1.8622 0.2016602      2.899206 
1 1 1 15 3  49 o 40.143  2.1994 12.712   1.3788  12.781   1.9462  12.643   1.9537  40.123  3.1186 39.899  3.1491 0.2235069      4.432039 
1 1 1 15 3  50 o 41.111  2.2324 13.337   1.4334  14.747   1.9733  11.763   2.0855  43.134  2.9357 38.404  3.5025 4.730587       4.570117 
1 1 1 15 3  51 o 11.778  4.4827 0.7812   1.1459  -0.8651  1.4947  3.1278   1.7846  9.8255  4.4617 19.485  5.5656 -9.659338      7.133218 
1 1 1 15 3  52 o 78.961  1.6466 48.985   2.0382  47.478   2.7528  50.813   3.0323  77.656  2.2612 80.313  2.4084 -2.656998      3.303577 
1 1 1 15 3  53 o 59.980  1.7624 28.280   1.6572  29.265   2.3040  27.224   2.3852  60.941  2.4117 58.753  2.5897 2.188080       3.538749 
1 1 1 15 3  54 o 113.093 1.4110 100.445  2.5016  100.367  3.5820  100.519  3.4952  112.935 2.0232 113.031 1.9725 -0.9684753E-01 2.825618 
1 1 1 15 3  55 o 64.170  1.4668 32.347   1.4756  33.658   2.2369  31.337   1.9633  65.370  2.1828 63.103  1.9847 2.267513       2.950162 
1 1 1 15 3  56 o 102.120 1.4181 81.920   2.2703  80.233   3.6996  82.939   2.8753  100.876 2.3395 102.688 1.7861 -1.812378      2.943353 
1 1 1 15 3  57 o 32.265  2.4005 8.2583   1.2055  9.1945   1.8073  7.5080   1.6180  33.850  3.4542 30.558  3.4372 3.291861       4.873013 
1 1 1 15 3  58 o 83.906  1.5571 55.348   2.0482  56.944   3.1467  54.175   2.6979  84.943  2.3631 82.916  2.0755 2.026329       3.145145 
1 1 1 15 3  59 o 8.9707  3.9325 -0.2288  1.0586  -1.9132  1.6542  0.9397   1.3777  9.1234  4.3237 12.818  4.9066 -3.694197      6.539750 
1 1 1 15 3  60 o 52.388  1.7033 21.602   1.3989  22.404   2.2662  21.108   1.7781  53.112  2.7311 51.716  2.1932 1.396542       3.502658 
1 1 1 15 3  61 o 46.058  2.0275 16.734   1.4639  15.201   2.1394  18.083   2.0074  43.594  3.1518 47.689  2.6961 -4.095234      4.147598 
1 1 1 15 3  62 o 17.213  4.2500 2.4850   1.1400  3.7292   1.5741  1.1127   1.6531  20.997  4.8755 13.890  5.3599 7.107441       7.245676 
1 1 1 15 3  63 o 59.743  1.7988 28.144   1.6847  31.628   2.5746  25.535   2.2280  63.129  2.6015 56.748  2.5045 6.380409       3.611100 
1 1 1 15 3  64 o 20.277  3.6906 3.4061   1.1299  4.8388   1.4348  1.0663   1.8335  24.195  3.9166 14.167  5.5926 10.02739       6.827663 
1 1 1 15 3  65 o 53.359  1.5512 22.436   1.2975  20.995   1.6230  24.987   2.1600  51.525  2.0093 56.087  2.4567 -4.561604      3.173681 
1 1 1 15 3  66 o 14.998  3.9342 1.8954   0.9365  1.1153   1.1453  3.4698   1.6270  12.542  4.5354 20.032  5.1518 -7.490259      6.863741 
1 1 1 15 3  67 o 44.599  1.5958 15.697   1.1157  16.512   1.3778  14.144   1.9016  45.672  1.9244 41.913  2.9122 3.758617       3.490590 
1 1 1 15 3  68 o 42.103  1.4911 13.984   0.9842  14.437   1.1623  12.839   1.8501  42.730  1.7351 39.857  2.9825 2.872143       3.450534 
1 1 1 15 3  69 o 42.205  1.9123 14.122   1.2653  15.429   2.0683  13.340   1.5995  43.644  3.0420 40.780  2.5142 2.864105       3.946540 
1 1 1 15 3  70 o 15.307  4.3314 2.0081   1.0861  1.2341   1.7625  2.4820   1.3791  14.075  5.5054 16.901  4.9122 -2.825819      7.378285 
1 1 1 15 3  71 o 23.444  3.9699 4.6487   1.4069  4.3972   1.8701  4.9767   2.1357  22.170  5.4250 23.416  5.8382 -1.246336      7.969663 
1 1 1 15 3  72 o 10.223  4.1743 0.4121   1.0586  1.2399   1.7978  -0.0273  1.3098  14.093  5.5458 10.189  4.4218 3.903459       7.092893 
1 1 1 15 3  73 o 59.556  1.7778 28.135   1.6598  26.996   2.4981  29.035   2.2210  57.860  2.7540 60.234  2.3521 -2.374077      3.621732 
1 1 1 15 3  74 o 29.507  2.7687 7.0887   1.2657  8.7785   2.0108  5.9798   1.6289  32.212  4.0729 26.525  4.0455 5.687666       5.740589 
1 1 1 15 3  75 o 19.108  4.9090 3.2687   1.4783  2.2447   1.9544  4.6383   2.2601  16.370  5.9239 22.139  6.2425 -5.768896      8.605946 
1 1 1 15 3  76 f 13.341  5.1096 1.2590   1.4945  0.9678   2.0422  1.5949   2.1930  13.860  5.7428 15.248  6.0855 -1.388056      8.367407 
1 1 1 15 3  77 o 24.115  4.2512 5.0825   1.5484  6.6622   2.1781  3.4686   2.2017  26.947  5.3448 19.037  6.3195 7.910206       8.276636 
1 1 1 15 4  0  o 90.766  2.0413 64.685   2.9013  64.685   2.9013  64.685   2.9013  90.766  2.0413 90.766  2.0413 0.000000       0.000000 
1 1 1 15 4  1  o 261.196 1.9890 534.957  8.1444  553.649  11.842  518.179  11.219  265.668 2.8433 257.021 2.7845 8.647003       3.979638 
1 1 1 15 4  2  o 126.589 1.4353 125.631  2.8483  129.312  4.0847  122.148  3.9737  128.417 2.0290 124.809 2.0310 3.608078       2.870824 
1 1 1 15 4  3  o 247.058 1.9145 478.599  7.4148  488.362  10.639  469.377  10.340  249.521 2.7197 244.624 2.6963 4.896683       3.829730 
1 1 1 15 4  4  o 74.196  1.5026 43.160   1.7478  41.139   2.4272  45.337   2.5189  72.430  2.1376 76.036  2.1132 -3.605751      3.005813 
1 1 1 15 4  5  o 235.775 1.8593 435.877  6.8724  435.211  9.7084  436.546  9.7297  235.556 2.6290 235.917 2.6308 -0.3607941     3.719273 
1 1 1 15 4  6  o 329.193 2.3644 849.883  12.202  840.783  17.084  859.360  17.433  327.338 3.3292 330.932 3.3603 -3.593140      4.730243 
1 1 1 15 4  7  o 106.382 1.4248 88.725   2.3762  88.965   3.3506  88.483   3.3704  106.515 2.0066 106.226 2.0239 0.2892227      2.850028 
1 1 1 15 4  8  o 247.272 1.9180 479.435  7.4350  496.864  10.822  463.853  10.232  251.678 2.7428 243.178 2.6841 8.500397       3.837635 
1 1 1 15 4  9  o 165.645 1.5505 215.122  4.0263  218.362  5.7455  211.995  5.6439  166.868 2.1964 164.417 2.1897 2.450424       3.101408 
1 1 1 15 4  10 o 73.225  1.5469 42.039   1.7757  43.298   2.5306  40.817   2.4923  74.305  2.1725 72.145  2.2037 2.160187       3.094486 
1 1 1 15 4  11 o 419.282 3.0499 1379.26  20.047  1404.57  30.658  1360.35  26.496  422.853 4.6248 416.247 4.0605 6.606079       6.154410 
1 1 1 15 4  12 o 333.959 2.2792 874.666  11.932  849.280  15.727  909.105  18.318  329.008 3.0492 340.356 3.4331 -11.34750      4.591668 
1 1 1 15 4  13 o 186.824 1.5557 273.651  4.5562  272.311  6.1711  275.257  6.7552  186.346 2.1125 187.343 2.3001 -0.9972382     3.122967 
1 1 1 15 4  14 o 152.218 1.5029 181.660  3.5864  184.328  4.6778  177.854  5.5860  153.320 1.9462 150.589 2.3662 2.730804       3.063771 
1 1 1 15 4  15 o 374.339 2.4981 1099.10  14.660  1100.50  19.876  1097.44  21.709  374.474 3.3858 373.907 3.7036 0.5669861      5.017952 
1 1 1 15 4  16 o 183.564 1.5416 264.185  4.4361  263.427  5.9949  265.104  6.5953  183.281 2.0865 183.854 2.2882 -0.5738525     3.096673 
1 1 1 15 4  17 o 94.636  1.3840 70.215   2.0533  70.340   2.7633  70.061   3.0682  94.712  1.8611 94.520  2.0706 0.1923065      2.784108 
1 1 1 15 4  18 o 156.322 1.5258 191.592  3.7391  188.883  5.2176  194.452  5.3610  155.194 2.1446 157.464 2.1718 -2.270157      3.052186 
1 1 1 15 4  19 o 259.016 1.9874 526.103  8.0697  530.444  12.820  523.254  10.385  259.995 3.1453 258.276 2.5650 1.719757       4.058578 
1 1 1 15 4  20 o 249.387 1.9345 487.708  7.5630  506.722  12.283  476.096  9.5984  254.118 3.0833 246.366 2.4852 7.751755       3.960140 
1 1 1 15 4  21 o 309.638 2.1521 751.918  10.446  761.364  15.635  744.302  14.040  311.474 3.2021 307.997 2.9078 3.477264       4.325314 
1 1 1 15 4  22 o 117.131 1.4756 107.567  2.7096  107.051  3.7401  108.137  3.9309  116.835 2.0420 117.424 2.1354 -0.5885696     2.954636 
1 1 1 15 4  23 o 90.299  1.5750 63.933   2.2295  66.037   2.9527  61.142   3.4007  91.763  2.0525 88.287  2.4570 3.476006       3.201566 
1 1 1 15 4  24 f 101.521 1.4988 80.809   2.3854  81.611   3.0236  79.486   3.8820  102.015 1.8906 100.662 2.4600 1.352715       3.102588 
1 1 1 15 4  25 o 178.503 1.6243 249.843  4.5452  254.286  5.8833  243.264  7.1585  180.063 2.0842 176.090 2.5932 3.973434       3.326959 
1 1 1 15 4  26 o 134.283 1.4990 141.384  3.1555  144.979  4.0613  135.909  5.0123  135.967 1.9054 131.624 2.4291 4.342575       3.087236 
1 1 1 15 4  27 o 85.320  1.5398 57.078   2.0595  57.209   2.6142  56.863   3.3438  85.409  1.9525 85.135  2.5054 0.2738113      3.176384 
1 1 1 15 4  28 o 109.231 1.4949 93.553   2.5598  94.347   3.5981  92.739   3.6427  109.676 2.0927 108.736 2.1369 0.9403152      2.990956 
1 1 1 15 4  29 o 69.590  1.6312 37.974   1.7795  38.106   2.4997  37.839   2.5340  69.696  2.2878 69.451  2.3274 0.2455902      3.263594 
1 1 1 15 4  30 o 41.991  2.1381 13.867   1.4028  12.291   2.0242  15.323   1.9457  39.426  3.3056 44.094  2.8297 -4.668282      4.351376 
1 1 1 15 4  31 o 74.760  1.6108 43.828   1.8878  42.218   2.6304  45.538   2.7109  73.357  2.2873 76.187  2.2698 -2.829948      3.222349 
1 1 1 15 4  32 f 224.096 1.7445 393.854  6.1286  398.502  9.1613  390.090  8.2451  225.338 2.5934 222.971 2.3588 2.367096       3.505672 
1 1 1 15 4  33 o 163.183 1.5097 208.817  3.8621  205.439  5.6731  211.736  5.2726  161.814 2.2364 164.288 2.0472 -2.474365      3.031930 
1 1 1 15 4  34 o 209.291 1.6062 343.527  5.2699  348.251  7.5135  338.953  7.3935  210.667 2.2751 207.836 2.2692 2.830765       3.213300 
1 1 1 15 4  35 o 78.044  1.3641 47.763   1.6689  49.048   2.2772  46.272   2.4531  79.074  1.8370 76.796  2.0376 2.277328       2.743446 
1 1 1 15 4  36 o 96.959  1.3444 73.722   2.0435  71.829   2.8396  75.754   2.9429  95.685  1.8930 98.264  1.9104 -2.578606      2.689493 
1 1 1 15 4  37 f 212.737 1.6111 354.993  5.3729  355.815  7.5616  354.155  7.6359  212.908 2.2655 212.407 2.2932 0.5008698      3.223535 
1 1 1 15 4  38 o 132.657 1.3512 138.015  2.8099  141.696  3.9759  134.341  3.9718  134.378 1.8874 130.841 1.9364 3.537460       2.704017 
1 1 1 15 4  39 o 163.982 1.4271 210.921  3.6687  211.606  5.1569  210.219  5.2203  164.193 2.0035 163.651 2.0348 0.5424652      2.855573 
1 1 1 15 4  40 o 136.443 1.3536 146.026  2.8953  142.228  3.9903  150.249  4.2075  134.613 1.8909 138.352 1.9399 -3.738785      2.709000 
1 1 1 15 4  41 o 175.618 1.5246 241.983  4.1973  241.391  6.1143  242.511  5.7723  175.306 2.2248 175.733 2.0953 -0.4270630     3.056138 
1 1 1 15 4  42 o 32.550  2.2460 8.3637   1.1391  7.9463   1.5761  8.8201   1.6481  31.601  3.2267 33.315  3.1949 -1.713676      4.540840 
1 1 1 15 4  43 o 33.364  2.4067 8.7961   1.2503  7.7180   1.6210  10.380   1.9646  31.109  3.3781 36.109  3.5152 -4.999790      4.875250 
1 1 1 15 4  44 o 143.902 1.6257 162.554  3.6675  166.820  4.7539  156.282  5.7642  145.710 2.0812 140.936 2.6089 4.774170       3.337353 
1 1 1 15 4  45 o 63.030  1.6344 31.190   1.6150  32.489   2.0492  29.061   2.6238  64.300  2.0329 60.750  2.7550 3.550358       3.423845 
1 1 1 15 4  46 o 19.483  3.8462 3.1070   1.1331  1.9061   1.4399  5.0595   1.8361  15.710  5.1057 24.797  4.8972 -9.087029      7.074657 
1 1 1 15 4  47 o 58.473  1.8866 26.867   1.7294  26.356   2.0140  28.300   3.3745  57.887  2.2194 59.707  3.6223 -1.819729      4.248132 
1 1 1 15 4  48 o 68.671  1.6343 37.038   1.7594  37.918   3.0042  36.578   2.1705  69.354  2.7632 68.207  2.0299 1.146919       3.428675 
1 1 1 15 4  49 o 18.503  3.9489 2.8183   1.1106  4.2487   1.7227  1.8009   1.4528  22.631  4.9898 15.397  5.1345 7.234471       7.159739 
1 1 1 15 4  50 f 63.159  1.6824 31.343   1.6658  31.472   2.4371  31.229   2.2820  63.203  2.4597 62.977  2.3115 0.2261925      3.375345 
1 1 1 15 4  51 o 59.554  1.6112 27.865   1.5042  28.172   2.1602  27.576   2.0958  59.808  2.3040 59.177  2.2592 0.6307259      3.226801 
1 1 1 15 4  52 o 44.273  1.8610 15.415   1.2917  15.483   1.8537  15.350   1.8008  44.214  2.6871 44.033  2.6206 0.1808090      3.753464 
1 1 1 15 4  53 o 82.552  1.4624 53.530   1.8926  53.462   2.7027  53.596   2.6510  82.407  2.0921 82.518  2.0493 -0.1103592     2.928614 
1 1 1 15 4  54 o 34.090  2.2937 9.2002   1.2187  10.145   2.0392  8.6752   1.5199  35.535  3.7155 32.985  2.9712 2.549496       4.757472 
1 1 1 15 4  55 o 86.852  1.4602 59.268   1.9881  62.144   3.2151  57.487   2.5298  88.777  2.3101 85.470  1.8881 3.307289       2.983566 
1 1 1 15 4  56 o 134.952 1.4094 143.089  2.9817  143.959  4.4884  142.401  3.9892  135.162 2.1183 134.501 1.8919 0.6609497      2.840168 
1 1 1 15 4  57 f 21.186  3.2171 3.6417   1.0349  1.0821   1.5515  5.6932   1.3890  13.641  5.2104 26.546  3.4171 -12.90450      6.230921 
1 1 1 15 4  58 o 11.122  4.2150 0.7242   1.0104  1.8487   1.4785  -0.2610  1.3839  15.463  5.1799 10.286  4.5029 5.177485       6.863475 
1 1 1 15 4  59 o 88.159  1.4243 61.102   1.9684  61.184   2.6773  61.007   2.9040  88.106  1.9384 87.935  2.1066 0.1710434      2.862739 
1 1 1 15 4  60 o 16.632  3.8356 2.3048   0.9797  3.2010   1.4860  1.6159   1.3029  19.470  4.8785 14.468  4.8624 5.001745       6.887870 
1 1 1 15 4  61 o 41.103  2.0469 13.339   1.3190  12.740   1.8875  13.911   1.8439  39.886  3.0416 41.744  2.8344 -1.858128      4.157580 
1 1 1 15 4  62 o 60.115  1.8313 28.507   1.7258  26.719   2.7191  29.712   2.2333  57.815  3.0105 61.254  2.3257 -3.439495      3.804184 
1 1 1 15 4  63 o 7.8092  3.6560 -1.0640  1.1199  0.6460   1.5499  -2.9319  1.6199  12.524  5.0743 7.9922  3.9060 4.531909       6.403561 
1 1 1 15 4  64 o 39.315  2.8070 12.391   1.7187  18.169   2.4946  7.1706   2.3712  47.425  3.3775 28.903  5.4328 18.52175       6.397072 
1 1 1 15 4  65 o 21.587  3.2169 3.8216   1.0554  4.0600   1.3260  3.4095   1.7433  22.025  3.9872 19.803  5.4456 2.221262       6.749296 
1 1 1 15 4  66 o 50.863  1.5601 20.413   1.2440  20.308   1.5421  20.609   2.1051  50.640  1.9424 50.724  2.6566 -0.8404922E-01 3.290953 
1 1 1 15 4  67 o 17.406  3.5755 2.5468   0.9430  1.9279   1.1401  3.8878   1.6781  15.090  4.4883 21.074  5.1282 -5.984836      6.814903 
1 1 1 15 4  68 o 22.396  2.6925 4.0756   0.9264  4.6546   1.1112  2.7559   1.6775  23.845  3.0419 17.781  5.4776 6.063313       6.265567 
1 1 1 15 4  69 o 24.903  3.2519 5.1096   1.2392  5.2824   1.9163  4.9854   1.6245  24.506  5.1517 24.104  4.4637 0.4023285      6.816512 
1 1 1 15 4  70 o 70.049  1.6941 38.855   1.8603  37.896   2.7432  39.671   2.5314  68.742  2.5455 70.486  2.2909 -1.743294      3.424603 
1 1 1 15 4  71 o 27.541  3.1983 6.2434   1.3552  6.7689   2.0175  5.8114   1.8293  27.929  4.7799 25.886  4.6801 2.042578       6.689611 
1 1 1 15 4  72 o 45.857  1.9761 16.732   1.4206  17.840   2.2742  16.022   1.8192  46.744  3.1214 44.556  2.6160 2.188114       4.072675 
1 1 1 15 4  73 o 33.327  2.7258 9.0224   1.4117  15.181   2.1748  4.5377   1.8558  42.990  3.2510 22.399  5.3571 20.59013       6.266347 
1 1 1 15 4  74 o 14.694  5.0730 1.8015   1.4197  1.3461   1.9120  2.3611   2.1194  14.377  5.6996 16.767  6.1534 -2.390045      8.387509 
1 1 1 15 4  75 o 26.547  3.7271 5.9729   1.5084  7.0834   2.0532  4.6708   2.2233  28.301  4.7993 22.092  6.1782 6.208530       7.823208 
1 1 1 15 4  76 o 14.028  5.1080 1.5921   1.4563  1.5960   1.9435  1.5870   2.1993  14.739  5.7768 15.106  6.0712 -0.3671484     8.380433 
1 1 1 15 4  77 o 39.932  2.7098 13.072   1.6863  17.481   2.2905  7.8543   2.4917  45.809  3.2098 28.793  5.7219 17.01653       6.560750 
1 1 1 15 5  0  o 337.223 3.4127 892.135  18.037  892.135  18.037  892.135  18.037  337.223 3.4127 337.223 3.4127 -0.000000      0.000000 
1 1 1 15 5  1  o 254.437 1.9654 507.645  7.8393  494.805  10.841  521.717  11.349  251.150 2.7536 257.885 2.8073 -6.735397      3.932277 
1 1 1 15 5  2  o 176.889 1.6938 245.334  4.6970  249.016  7.1497  242.538  6.2300  178.177 2.5596 175.858 2.2598 2.319290       3.414456 
1 1 1 15 5  3  o 110.251 1.4403 95.298   2.4894  98.743   3.5745  92.054   3.4689  112.214 2.0320 108.346 2.0423 3.867775       2.880974 
1 1 1 15 5  4  o 173.429 1.5893 235.820  4.3211  240.650  6.1831  231.210  6.0413  175.172 2.2516 171.702 2.2444 3.469910       3.179126 
1 1 1 15 5  5  o 170.340 1.5854 227.496  4.2337  227.133  6.0060  227.855  5.9688  170.181 2.2512 170.452 2.2337 -0.2707367     3.171376 
1 1 1 15 5  6  o 274.805 2.0683 592.201  8.9104  596.192  12.679  588.306  12.525  275.666 2.9339 273.838 2.9176 1.827942       4.137669 
1 1 1 15 5  7  o 285.382 2.1322 638.685  9.5390  660.145  15.453  625.474  12.125  290.028 3.3987 282.370 2.7391 7.657837       4.365081 
1 1 1 15 5  8  o 99.630  1.4057 77.821   2.1956  81.853   3.2857  74.569   2.9512  102.166 2.0515 97.517  1.9305 4.649475       2.816963 
1 1 1 15 5  9  o 245.281 1.9205 471.763  7.3847  465.085  10.298  478.832  10.595  243.491 2.6979 247.061 2.7355 -3.569794      3.842139 
1 1 1 15 5  10 o 256.387 1.8875 515.448  7.5865  512.170  11.180  518.245  10.328  255.512 2.7911 257.040 2.5632 -1.528137      3.789482 
1 1 1 15 5  11 o 133.058 1.3521 138.801  2.8203  137.696  3.9670  139.931  4.0104  132.514 1.9096 133.585 1.9150 -1.070862      2.704432 
1 1 1 15 5  12 o 158.243 1.4742 196.327  3.6572  200.385  5.4542  193.012  4.9297  159.848 2.1765 156.886 2.0044 2.962082       2.958863 
1 1 1 15 5  13 o 73.725  1.4587 42.615   1.6859  39.416   2.3339  46.106   2.4380  70.895  2.1000 76.677  2.0282 -5.782188      2.919524 
1 1 1 15 5  14 o 161.486 1.4252 204.454  3.6081  212.793  5.2277  196.867  4.9861  164.727 2.0244 158.443 2.0074 6.283737       2.850923 
1 1 1 15 5  15 o 107.305 1.3462 90.272   2.2645  93.526   3.2437  87.178   3.1627  109.210 1.8946 105.439 1.9134 3.771637       2.692745 
1 1 1 15 5  16 o 321.495 2.1294 810.598  10.732  806.854  15.057  814.466  15.301  320.668 2.9952 322.173 3.0296 -1.505096      4.260268 
1 1 1 15 5  17 o 90.379  1.3225 64.039   1.8737  64.361   2.5351  63.653   2.7816  90.597  1.7850 90.094  1.9695 0.5033875      2.657995 
1 1 1 15 5  18 f 147.632 1.3936 170.880  3.2254  172.178  4.5863  169.610  4.5369  148.174 1.9744 147.065 1.9678 1.108749       2.787606 
1 1 1 15 5  19 o 50.717  1.7608 20.170   1.4000  20.405   1.9599  19.925   2.0005  51.002  2.4513 50.334  2.5435 0.6685677      3.532457 
1 1 1 15 5  20 o 178.045 1.4264 248.542  3.9813  243.703  5.3351  254.622  5.9810  176.285 1.9305 180.182 2.1174 -3.897064      2.865374 
1 1 1 15 5  21 o 122.102 1.3039 116.886  2.4958  116.300  3.3709  117.597  3.7131  121.784 1.7657 122.456 1.9342 -0.6721039     2.618923 
1 1 1 15 5  22 o 33.422  2.2707 8.8023   1.1827  7.1652   1.5214  11.302   1.8800  30.034  3.2849 37.811  3.2017 -7.777248      4.587090 
1 1 1 15 5  23 o 117.832 1.2571 108.855  2.3221  110.412  3.0703  106.773  3.5495  118.663 1.6505 116.682 1.9405 1.980347       2.547471 
1 1 1 15 5  24 o 81.030  1.3664 51.479   1.7357  53.304   2.2175  48.593   2.7889  82.447  1.7156 78.707  2.2603 3.739510       2.837679 
1 1 1 15 5  25 o 105.961 1.3104 88.030   2.1767  88.298   2.9483  87.708   3.2271  106.111 1.7724 105.751 1.9466 0.3605652      2.632609 
1 1 1 15 5  26 o 72.511  1.4273 41.226   1.6225  41.445   2.1978  40.962   2.4054  72.694  1.9286 72.265  2.1232 0.4293671      2.868356 
1 1 1 15 5  27 o 296.409 2.0058 689.120  9.3204  680.495  12.990  698.271  13.381  294.455 2.8141 298.269 2.8617 -3.814606      4.013497 
1 1 1 15 5  28 o 164.565 1.3965 212.345  3.6027  207.442  4.7985  218.681  5.4544  162.631 1.8821 166.967 2.0838 -4.336121      2.807966 
1 1 1 15 5  29 o 29.882  2.6750 7.0642   1.2399  7.7770   1.5664  5.8686   2.0287  31.302  3.2390 26.875  4.9992 4.427467       5.956805 
1 1 1 15 5  30 o 85.669  1.4784 57.551   1.9854  57.052   2.4397  58.530   3.4163  85.287  1.8248 86.359  2.5235 -1.071976      3.114097 
1 1 1 15 5  31 o 268.940 1.9667 567.386  8.2918  573.315  10.425  557.178  13.680  270.280 2.4604 266.321 3.2767 3.958984       4.097600 
1 1 1 15 5  32 o 105.246 1.3776 86.859   2.2729  88.109   2.9165  84.926   3.6271  105.987 1.7554 104.033 2.2240 1.953278       2.833290 
1 1 1 15 5  33 o 191.779 1.6955 288.484  5.0974  289.179  6.5013  287.376  8.2128  191.968 2.1603 191.304 2.7385 0.6638947      3.488011 
1 1 1 15 5  34 o 139.179 1.4058 151.912  3.0673  154.893  4.0066  147.691  4.7675  140.514 1.8189 137.180 2.2169 3.333969       2.867583 
1 1 1 15 5  35 o 169.491 1.6006 225.337  4.2528  228.005  5.9594  222.570  6.0709  170.432 2.2305 168.381 2.2999 2.051132       3.203825 
1 1 1 15 5  36 o 60.090  1.7294 28.329   1.6292  28.720   2.1946  27.850   2.4315  60.481  2.3147 59.544  2.6049 0.9369316      3.484689 
1 1 1 15 5  37 o 166.153 1.9056 216.665  4.9635  216.036  6.5023  217.545  7.6834  165.836 2.5011 166.344 2.9464 -0.5081024     3.864825 
1 1 1 15 5  38 o 148.000 1.9346 171.939  4.4885  172.521  5.5814  170.873  7.5517  148.193 2.4025 147.345 3.2693 0.8481750      4.057147 
1 1 1 15 5  39 o 108.220 1.6241 91.902   2.7553  92.964   3.5720  90.342   4.3294  108.803 2.0942 107.207 2.5761 1.596428       3.319890 
1 1 1 15 5  40 o 71.475  1.8267 40.106   2.0468  39.787   2.7577  40.497   3.0541  71.144  2.4726 71.755  2.7150 -0.6112900     3.672201 
1 1 1 15 5  41 o 96.211  1.5947 72.651   2.4052  70.837   3.0689  75.539   3.8727  94.961  2.0615 98.010  2.5205 -3.048904      3.256174 
1 1 1 15 5  42 o 112.475 1.4579 99.277   2.5705  101.925  4.0437  97.481   3.3299  113.870 2.2653 111.406 1.9067 2.463699       2.960872 
1 1 1 15 5  43 o 127.132 1.3951 126.836  2.7803  125.714  3.9977  127.887  3.8694  126.488 2.0161 127.588 1.9346 -1.100693      2.794127 
1 1 1 15 5  44 o 93.397  1.3807 68.459   2.0216  73.976   3.0012  63.877   2.7352  97.025  1.9731 90.164  1.9351 6.861343       2.763645 
1 1 1 15 5  45 o 104.573 1.3373 85.824   2.1923  88.468   3.1106  83.214   3.0903  106.109 1.8700 102.904 1.9156 3.205421       2.677051 
1 1 1 15 5  46 o 140.803 1.5139 155.663  3.3416  150.948  4.1777  164.038  5.5676  138.581 1.9230 144.338 2.4606 -5.757172      3.122877 
1 1 1 15 5  47 o 100.773 1.5443 79.751   2.4396  80.339   3.7027  79.301   3.2431  101.020 2.3381 100.414 2.0602 0.6060867      3.116273 
1 1 1 15 5  48 o 66.870  1.5649 35.122   1.6405  35.356   2.3183  34.888   2.3218  67.024  2.2064 66.576  2.2246 0.4471436      3.133198 
1 1 1 15 5  49 o 32.562  2.3937 8.3979   1.2134  7.5712   1.7510  9.1614   1.6829  30.675  3.7173 33.885  3.2061 -3.210590      4.908906 
1 1 1 15 5  50 o 56.164  1.6903 24.792   1.4882  25.689   2.1283  23.934   2.0819  57.096  2.3777 55.107  2.4099 1.989315       3.385436 
1 1 1 15 5  51 o 64.355  1.6028 32.546   1.6170  33.854   2.3164  31.302   2.2583  65.554  2.2540 63.031  2.2855 2.523521       3.210000 
1 1 1 15 5  52 o 37.536  2.1271 11.131   1.2465  11.705   1.7952  10.596   1.7322  38.348  3.0103 36.465  3.0584 1.883430       4.291354 
1 1 1 15 5  53 o 59.409  1.7598 27.759   1.6390  26.648   2.4918  28.606   2.1760  58.069  2.7373 60.236  2.3043 -2.167343      3.578095 
1 1 1 15 5  54 o 48.949  1.8028 18.851   1.3834  19.412   2.0012  18.339   1.9145  49.506  2.5876 48.122  2.5468 1.383308       3.630674 
1 1 1 15 5  55 o 21.640  3.5390 3.8199   1.1591  4.8497   1.6048  2.6969   1.6759  24.238  4.3849 18.105  5.4547 6.132950       6.998640 
1 1 1 15 5  56 o 54.172  1.7693 23.098   1.5025  23.307   2.0565  22.858   2.2006  54.320  2.4150 53.759  2.6112 0.5613594      3.556752 
1 1 1 15 5  57 o 9.6101  4.0987 0.0173   1.0887  -0.7277  1.4778  0.9012   1.6098  9.8963  4.4707 13.355  5.2504 -3.459178      6.895936 
1 1 1 15 5  58 o 22.023  3.4708 3.9606   1.1586  3.8261   1.5720  4.1204   1.7141  21.317  4.8175 22.082  5.0601 -0.7647896     6.986621 
1 1 1 15 5  59 f 32.426  2.3039 8.3554   1.1635  7.9959   1.6823  8.6850   1.6109  31.445  3.4705 32.868  3.1655 -1.423584      4.697355 
1 1 1 15 5  60 o 11.944  4.3609 0.9613   1.0625  1.0147   1.5644  0.9157   1.4476  13.419  5.2041 12.877  5.0025 0.5427008      7.218562 
1 1 1 15 5  61 o 33.489  2.3674 8.9312   1.2349  9.6920   1.6222  7.8828   1.9043  34.731  3.0092 30.990  4.0141 3.741028       5.016839 
1 1 1 15 5  62 o 12.697  4.2384 1.2544   0.9899  0.7003   1.4293  1.7652   1.3723  12.273  4.9077 14.921  4.9904 -2.648376      6.999227 
1 1 1 15 5  63 o 58.462  1.6004 26.952   1.4668  25.953   1.9471  28.262   2.2302  57.225  2.1704 59.648  2.3851 -2.423447      3.224789 
1 1 1 15 5  64 o 35.414  2.4646 10.030   1.3598  12.380   1.8856  7.4848   1.9627  39.146  3.0979 29.933  4.3065 9.213152       5.305009 
1 1 1 15 5  65 f 18.368  4.5909 2.9055   1.3183  4.5530   2.4112  2.2030   1.5745  22.447  6.4868 16.268  5.3415 6.179138       8.402962 
1 1 1 15 5  66 o 30.348  2.5220 7.4070   1.1890  7.0208   1.4287  8.2771   2.1443  29.330  3.1570 31.281  4.5024 -1.950600      5.498937 
1 1 1 15 5  67 o 26.706  2.6147 5.7662   1.0806  5.7846   1.2851  5.7217   1.9967  26.571  3.1461 25.555  5.1617 1.016182       6.044955 
1 1 1 15 5  68 o 21.730  2.9496 3.8756   0.9788  3.7689   1.1666  4.1295   1.7991  21.184  3.6442 21.511  5.3558 -0.3269157     6.478053 
1 1 1 15 5  69 o 26.793  2.5737 5.8117   1.0677  6.8948   1.3164  3.7289   1.8255  29.074  2.9281 20.328  5.5654 8.745588       6.288703 
1 1 1 15 5  70 o 26.573  3.3906 5.8560   1.3803  3.3612   2.0135  8.0675   1.8958  19.240  6.0135 30.946  4.0015 -11.70570      7.223146 
1 1 1 15 5  71 o 33.536  2.7458 9.1325   1.4309  9.9748   2.1297  8.4395   1.9318  34.401  4.0252 31.636  3.9837 2.765207       5.663218 
1 1 1 15 5  72 o 27.478  3.1915 6.2394   1.3491  5.8863   2.0084  6.5297   1.8212  25.670  5.1697 27.535  4.3647 -1.865858      6.765817 
1 1 1 15 5  73 o 11.506  4.6264 0.6897   1.2777  1.9689   1.9493  -0.2741  1.6919  15.707  5.8755 10.974  4.8836 4.733117       7.640150 
1 1 1 15 5  74 o 26.756  3.8059 6.0921   1.5513  8.2137   2.1386  3.7357   2.2538  30.623  4.5967 19.756  6.3848 10.86748       7.867383 
1 1 1 15 5  75 o 19.996  4.8592 3.6401   1.5082  3.8302   2.0315  3.4066   2.2514  19.949  6.0044 18.831  6.3915 1.118929       8.769498 
1 1 1 15 5  76 f 24.068  4.2327 5.1127   1.5387  4.5046   2.0398  5.9155   2.3439  21.496  5.8822 24.523  6.1172 -3.027649      8.486476 
1 1 1 15 6  0  o 225.551 2.3839 399.011  8.4270  399.011  8.4270  399.011  8.4270  225.551 2.3839 225.551 2.3839 0.000000       0.000000 
1 1 1 15 6  1  o 375.336 2.4163 1104.98  14.218  1134.24  20.606  1078.39  19.643  380.139 3.4577 370.673 3.3803 9.465576       4.835501 
1 1 1 15 6  2  o 221.906 1.6621 386.099  5.7820  392.328  8.2842  380.183  8.0739  223.652 2.3628 220.165 2.3393 3.487579       3.324900 
1 1 1 15 6  3  o 375.306 2.3195 1104.75  13.647  1112.98  18.729  1095.44  19.926  376.599 3.1724 373.588 3.4023 3.010498       4.651881 
1 1 1 15 6  4  o 398.538 2.4399 1245.84  15.244  1236.36  20.611  1257.29  22.648  396.904 3.3126 400.201 3.6100 -3.296936      4.899467 
1 1 1 15 6  5  o 42.468  1.9804 14.143   1.3185  14.629   1.8074  13.591   1.9277  43.099  2.6885 41.512  2.9821 1.587212       4.015036 
1 1 1 15 6  6  o 231.676 1.6393 420.845  5.9536  420.807  8.1044  420.890  8.7749  231.634 2.2319 231.646 2.4164 -0.1124573E-01 3.289390 
1 1 1 15 6  7  o 285.295 1.8779 638.254  8.3990  649.325  11.613  626.113  12.162  287.706 2.5748 282.502 2.7462 5.204529       3.764440 
1 1 1 15 6  8  o 143.694 1.3975 161.883  3.1481  158.613  4.0617  166.803  4.9822  142.223 1.8217 145.837 2.1792 -3.613647      2.840362 
1 1 1 15 6  9  o 63.137  1.5397 31.254   1.5240  33.151   2.1183  29.219   2.1941  65.017  2.0783 61.036  2.2931 3.980694       3.094791 
1 1 1 15 6  10 o 88.060  1.3981 60.797   1.9301  61.010   2.7647  60.595   2.6957  88.203  1.9995 87.903  1.9562 0.2994003      2.797224 
1 1 1 15 6  11 o 150.469 1.3682 177.509  3.2274  172.918  4.3106  183.365  4.8686  148.497 1.8517 152.910 2.0310 -4.413406      2.748420 
1 1 1 15 6  12 o 268.986 1.8065 567.359  7.6176  567.086  10.353  567.681  11.249  268.875 2.4561 268.997 2.6675 -0.1227722     3.626023 
1 1 1 15 6  13 o 204.111 1.5359 326.654  4.9146  325.428  6.6274  328.151  7.3256  203.703 2.0754 204.542 2.2846 -0.8386230     3.086500 
1 1 1 15 6  14 o 152.798 1.3701 183.048  3.2820  183.717  4.4671  182.264  4.8381  153.061 1.8617 152.449 2.0244 0.6124725      2.750258 
1 1 1 15 6  15 o 188.819 1.4864 279.539  4.3998  291.051  6.1476  267.450  6.2998  192.644 2.0356 184.661 2.1762 7.982803       2.979864 
1 1 1 15 6  16 o 28.628  2.7075 6.4878   1.2007  5.1330   1.5720  8.3849   1.8602  25.238  4.1150 32.465  3.7223 -7.227648      5.548733 
1 1 1 15 6  17 o 181.144 1.5135 257.280  4.2979  255.747  6.0565  258.835  6.1002  180.575 2.1395 181.662 2.1420 -1.086945      3.027488 
1 1 1 15 6  18 o 112.885 1.3122 99.908   2.3222  98.652   3.1375  101.429  3.4534  112.162 1.7844 113.725 1.9370 -1.563393      2.633628 
1 1 1 15 6  19 o 64.825  1.5217 32.949   1.5464  31.241   2.0656  35.128   2.3324  63.112  2.0878 66.921  2.2233 -3.808640      3.049856 
1 1 1 15 6  20 o 306.855 1.9118 738.453  9.1966  739.251  12.159  737.386  14.058  306.959 2.5269 306.522 2.9255 0.4363403      3.865716 
1 1 1 15 6  21 o 361.085 2.1702 1022.71  12.284  1018.69  16.172  1028.19  18.888  360.279 2.8634 361.877 3.3294 -1.597565      4.391326 
1 1 1 15 6  22 o 141.779 1.3013 157.601  2.8922  155.446  3.7782  160.652  4.4950  140.792 1.7118 143.118 2.0034 -2.325974      2.635147 
1 1 1 15 6  23 o 139.417 1.2988 152.396  2.8387  152.035  3.7243  152.897  4.3854  139.238 1.7062 139.619 2.0036 -0.3815765     2.631648 
1 1 1 15 6  24 o 163.466 1.3518 209.514  3.4642  209.161  4.5492  210.001  5.3448  163.310 1.7769 163.621 2.0837 -0.3109283     2.738489 
1 1 1 15 6  25 o 127.549 1.3274 127.560  2.6543  127.684  3.5881  127.411  3.9446  127.595 1.7938 127.450 1.9743 0.1442108      2.667507 
1 1 1 15 6  26 o 34.139  2.3420 9.1879   1.2459  6.8804   1.6470  12.274   1.9047  29.366  3.6569 39.414  3.1079 -10.04812      4.799191 
1 1 1 15 6  27 o 133.621 1.3351 140.000  2.7966  140.083  3.7841  139.899  4.1514  133.642 1.8062 133.545 1.9830 0.9687805E-01  2.682269 
1 1 1 15 6  28 o 116.710 1.3696 106.809  2.5058  108.686  3.5401  104.924  3.5475  117.709 1.9184 115.652 1.9567 2.056702       2.740246 
1 1 1 15 6  29 o 114.161 1.3743 102.198  2.4595  103.696  3.4406  100.632  3.5172  114.973 1.9089 113.258 1.9810 1.715027       2.751003 
1 1 1 15 6  30 o 115.197 1.4751 104.071  2.6639  108.251  3.4942  98.270   4.1163  117.468 1.8975 111.896 2.3466 5.571869       3.017754 
1 1 1 15 6  31 o 128.127 1.5583 128.758  3.1301  125.498  3.7899  135.755  5.5516  126.475 1.9115 131.482 2.6934 -5.006805      3.302771 
1 1 1 15 6  32 o 217.887 1.8876 372.488  6.4475  370.116  7.8666  377.342  11.254  217.138 2.3110 219.085 3.2766 -1.946167      4.009603 
1 1 1 15 6  33 o 35.020  2.5663 9.6833   1.3990  7.4350   1.6875  14.627   2.5022  30.530  3.5946 42.945  3.7545 -12.41459      5.197796 
1 1 1 15 6  34 o 46.434  2.0254 16.923   1.4743  16.097   1.7910  18.659   2.5966  45.198  2.5380 48.575  3.4320 -3.376701      4.268473 
1 1 1 15 6  35 o 97.415  1.4906 74.443   2.2763  75.367   2.9155  73.000   3.6430  97.993  1.8979 96.403  2.4105 1.590134       3.067981 
1 1 1 15 6  36 o 111.261 1.4241 97.110   2.4840  102.142  3.3540  90.997   3.6967  114.073 1.8755 107.642 2.1907 6.430840       2.883873 
1 1 1 15 6  37 o 70.771  1.5391 39.299   1.7076  37.793   2.2210  41.477   2.6706  69.374  2.0422 72.656  2.3446 -3.281738      3.109310 
1 1 1 15 6  38 o 103.057 1.4153 83.329   2.2866  84.777   3.0152  81.370   3.5079  103.913 1.8510 101.769 2.1987 2.143509       2.874104 
1 1 1 15 6  39 o 110.494 1.4309 95.800   2.4785  94.374   3.2435  97.802   3.8425  109.625 1.8873 111.562 2.1971 -1.936760      2.896410 
1 1 1 15 6  40 o 26.337  2.7913 5.5216   1.1349  4.9960   1.5169  6.1898   1.7104  24.821  4.0372 27.686  4.0615 -2.865025      5.726664 
1 1 1 15 6  41 f 13.613  4.5562 1.3861   1.1439  1.7634   1.6136  1.0048   1.6219  15.617  5.4074 13.772  5.3106 1.845070       7.579064 
1 1 1 15 6  42 o 89.208  1.5669 62.479   2.1913  62.581   2.9267  62.348   3.3058  89.224  2.0924 89.022  2.3688 0.2023239      3.160574 
1 1 1 15 6  43 o 58.464  1.7898 26.852   1.6404  27.119   2.1582  26.488   2.5243  58.706  2.3451 57.974  2.7775 0.7318573      3.635130 
1 1 1 15 6  44 o 111.718 1.6434 98.029   2.8782  92.729   3.5398  108.368  4.9443  108.590 2.0794 117.262 2.6896 -8.671928      3.399691 
1 1 1 15 6  45 o 97.215  1.7945 74.269   2.7349  74.955   3.6354  73.376   4.1510  97.568  2.3768 96.462  2.7450 1.105469       3.631010 
1 1 1 15 6  46 o 13.555  4.8226 1.2738   1.2893  0.3515   1.6229  2.8519   2.1230  12.357  5.1196 19.034  6.2002 -6.677387      8.040709 
1 1 1 15 6  47 o 74.691  1.5542 43.824   1.8198  41.541   2.3289  47.403   2.9162  72.662  2.0445 77.566  2.3983 -4.903557      3.151454 
1 1 1 15 6  48 o 36.807  2.2261 10.708   1.2784  11.028   1.6858  10.273   1.9612  37.249  2.9101 35.822  3.5387 1.427059       4.581560 
1 1 1 15 6  49 o 10.262  4.3138 0.1304   1.1770  -1.0475  1.5269  1.8554   1.8477  9.6826  4.4395 16.194  5.7719 -6.511316      7.281785 
1 1 1 15 6  50 o 63.020  1.6470 31.218   1.6271  31.970   2.2966  30.461   2.3057  63.688  2.3002 62.157  2.3662 1.531319       3.299985 
1 1 1 15 6  51 o 19.520  3.9326 3.1418   1.1618  3.9065   1.6418  2.3749   1.6442  21.622  4.9503 17.209  5.4421 4.412378       7.356810 
1 1 1 15 6  52 o 106.225 1.4858 88.672   2.4742  90.337   3.5382  87.079   3.4612  107.079 2.1078 105.132 2.1001 1.946640       2.975396 
1 1 1 15 6  53 f 53.546  1.6749 22.551   1.4059  23.212   2.1350  22.045   1.8682  54.209  2.5124 52.867  2.2541 1.341488       3.375369 
1 1 1 15 6  54 o 48.217  1.7642 18.298   1.3336  17.868   2.0161  18.632   1.7781  47.439  2.7223 48.581  2.3347 -1.142231      3.586364 
1 1 1 15 6  55 o 28.758  2.5451 6.5913   1.1356  8.0945   1.7425  5.4815   1.4972  31.663  3.5729 25.927  3.7959 5.735867       5.212907 
1 1 1 15 6  56 o 60.528  1.5804 28.825   1.4996  29.337   2.2589  28.422   2.0052  60.921  2.3652 60.011  2.1315 0.9102707      3.183963 
1 1 1 15 6  57 o 52.407  1.6884 21.628   1.3872  22.987   2.0981  20.573   1.8489  53.883  2.4838 51.010  2.3121 2.872925       3.393396 
1 1 1 15 6  58 f 44.666  1.8668 15.734   1.3071  17.964   1.9795  14.010   1.7406  47.503  2.6689 41.934  2.6616 5.569225       3.769272 
1 1 1 15 6  59 f 23.376  3.0476 4.4285   1.0902  2.8723   1.6353  5.6736   1.4627  18.417  5.3479 26.343  3.6393 -7.925732      6.468722 
1 1 1 15 6  60 o 34.552  2.1551 9.4837   1.1615  7.8564   1.7104  10.876   1.5823  31.059  3.5782 36.861  2.7582 -5.801802      4.517935 
1 1 1 15 6  61 o 25.934  2.7318 5.4173   1.0940  3.3422   1.5979  7.2477   1.5008  19.707  5.1244 29.887  3.2559 -10.17973      6.071289 
1 1 1 15 6  62 o 51.202  1.8872 20.731   1.5148  20.941   1.9730  20.428   2.3641  51.307  2.4530 50.407  3.0054 0.9003868      3.879394 
1 1 1 15 6  63 o 36.695  2.1253 10.718   1.2174  10.373   1.7710  11.027   1.6762  35.758  3.1929 36.977  2.9152 -1.218811      4.323528 
1 1 1 15 6  64 o 11.645  4.3299 0.9094   1.0555  -0.5319  1.4426  2.5696   1.5483  9.8977  4.4492 17.269  5.2519 -7.371674      6.883149 
1 1 1 15 6  65 o 37.664  2.3613 11.359   1.3871  11.731   1.7956  10.807   2.1844  38.021  3.0380 36.075  3.9260 1.945889       4.964184 
1 1 1 15 6  66 o 17.042  4.5968 2.5240   1.2563  2.5844   1.8470  2.4720   1.7139  17.342  5.7895 16.968  5.5730 0.3741665      8.035960 
1 1 1 15 6  67 o 25.284  2.7869 5.2073   1.0863  4.8325   1.3909  5.7933   1.7393  23.953  3.8333 25.996  4.4265 -2.042894      5.855559 
1 1 1 15 6  68 o 16.673  4.4338 2.4224   1.1789  5.6234   1.6857  -0.6422  1.6494  25.602  4.3561 10.390  4.7057 15.21222       6.412416 
1 1 1 15 6  69 o 38.829  2.0488 12.044   1.2427  11.138   1.6017  13.415   1.9699  37.044  2.7783 40.494  3.1273 -3.449932      4.183176 
1 1 1 15 6  70 o 37.187  2.7626 11.232   1.5990  12.993   2.2077  9.2880   2.3191  39.545  3.6005 32.777  4.6431 6.768242       5.875602 
1 1 1 15 6  71 o 23.794  4.0769 4.8574   1.4660  5.6355   2.0090  3.9711   2.1441  24.994  5.2922 20.564  6.1639 4.429871       8.124064 
1 1 1 15 6  72 o 41.678  2.4329 14.028   1.5827  16.129   2.3959  12.402   2.1081  44.028  3.5002 38.561  3.5263 5.466564       4.968501 
1 1 1 15 6  73 o 14.999  4.9619 1.9621   1.3577  1.9156   2.0487  1.9986   1.8130  15.578  5.9785 15.487  5.6902 0.9096241E-01  8.253534 
1 1 1 15 6  74 o 34.367  3.0070 9.7724   1.6038  10.956   2.2286  8.5004   2.3098  35.666  4.0581 30.707  4.9679 4.958559       6.414658 
1 1 1 15 7  0  o 152.561 1.8880 182.558  4.5138  182.558  4.5138  182.558  4.5138  152.561 1.8880 152.561 1.8880 -0.000000      0.000000 
1 1 1 15 7  1  o 250.723 1.6706 492.913  6.5664  486.116  9.1767  500.044  9.3998  248.944 2.3514 252.484 2.3748 -3.539246      3.342004 
1 1 1 15 7  2  o 58.307  1.5651 26.656   1.4306  27.731   2.0358  25.608   2.0109  59.461  2.1839 57.139  2.2449 2.322639       3.131983 
1 1 1 15 7  3  o 247.531 1.7188 480.455  6.6698  467.581  8.8792  497.125  10.104  244.154 2.3198 251.730 2.5604 -7.576080      3.455058 
1 1 1 15 7  4  o 96.155  1.3673 72.490   2.0611  72.327   2.8043  72.681   3.0393  96.037  1.8627 96.268  2.0139 -0.2310562     2.743258 
1 1 1 15 7  5  o 133.726 1.3506 140.204  2.8314  139.864  3.8146  140.621  4.2254  133.551 1.8220 133.905 2.0129 -0.3546906     2.715010 
1 1 1 15 7  6  o 130.535 1.3505 133.594  2.7636  133.759  3.7523  133.397  4.0856  130.603 1.8327 130.421 1.9983 0.1825714      2.711454 
1 1 1 15 7  7  o 219.232 1.6034 376.860  5.5104  368.431  7.3416  387.735  8.3392  216.736 2.1608 222.325 2.3927 -5.589493      3.223940 
1 1 1 15 7  8  o 163.085 1.4661 208.535  3.7483  209.874  4.9149  206.674  5.7951  163.591 1.9165 162.323 2.2774 1.268524       2.976434 
1 1 1 15 7  9  o 147.226 1.3798 169.943  3.1846  171.407  4.3784  168.299  4.6406  147.842 1.8891 146.490 2.0207 1.351440       2.766264 
1 1 1 15 7  10 o 189.491 1.5597 281.544  4.6332  277.988  6.5181  285.175  6.5870  188.258 2.2086 190.677 2.2036 -2.418442      3.119892 
1 1 1 15 7  11 o 188.843 1.5502 279.622  4.5893  282.660  6.5093  276.620  6.4713  189.834 2.1873 187.794 2.1981 2.039658       3.100986 
1 1 1 15 7  12 o 19.408  4.0289 3.0692   1.1856  3.6100   1.5824  2.3769   1.7902  21.006  4.8959 17.638  5.6894 3.368013       7.505904 
1 1 1 15 7  13 o 162.860 1.4684 207.964  3.7489  208.292  4.8912  207.497  5.8368  162.971 1.9145 162.641 2.2892 0.3300323      2.984276 
1 1 1 15 7  14 o 180.972 1.4608 256.794  4.1443  257.333  5.6348  256.157  6.1168  181.138 1.9843 180.714 2.1591 0.4240723      2.932478 
1 1 1 15 7  15 o 57.377  1.6739 25.816   1.5057  26.088   2.0379  25.489   2.2344  57.669  2.2541 56.998  2.5006 0.6709747      3.366652 
1 1 1 15 7  16 o 39.710  2.1397 12.405   1.3271  12.067   1.7940  12.813   1.9723  39.099  2.9485 40.278  3.1487 -1.178764      4.313684 
1 1 1 15 7  17 o 82.020  1.4293 52.747   1.8378  53.190   2.5107  52.236   2.6974  82.352  1.9448 81.606  2.1085 0.7462845      2.868441 
1 1 1 15 7  18 o 197.286 1.5821 305.205  4.8932  304.743  6.8818  305.676  6.9589  197.097 2.2273 197.397 2.2488 -0.3000031     3.165083 
1 1 1 15 7  19 o 233.707 1.7273 428.336  6.3283  420.277  8.7637  437.117  9.1477  231.443 2.4154 236.029 2.4723 -4.586029      3.456348 
1 1 1 15 7  20 o 50.902  1.8175 20.321   1.4503  20.110   1.9916  20.558   2.1162  50.624  2.5095 51.113  2.6501 -0.4890671     3.649715 
1 1 1 15 7  21 o 90.441  1.4375 64.138   2.0381  65.117   2.8753  63.149   2.8895  91.112  2.0130 89.723  2.0543 1.389053       2.876157 
1 1 1 15 7  22 o 56.794  1.8561 25.299   1.6525  26.718   2.2856  23.745   2.3920  58.350  2.4987 54.929  2.7870 3.421005       3.743114 
1 1 1 15 7  23 o 122.881 1.5864 118.414  3.0560  119.029  4.0521  117.603  4.6539  123.176 2.0984 122.419 2.4250 0.7576294      3.206906 
1 1 1 15 7  24 o 193.853 1.7117 294.735  5.2018  296.800  6.7082  291.620  8.2382  194.493 2.2001 192.737 2.7265 1.755859       3.503510 
1 1 1 15 7  25 o 143.651 1.7098 161.850  3.8504  157.700  4.3773  176.042  8.0948  141.782 1.9694 149.671 3.4500 -7.888718      3.972498 
1 1 1 15 7  26 o 94.319  1.5886 69.771   2.3489  67.616   2.8432  74.403   4.1688  92.838  1.9536 97.345  2.7317 -4.507172      3.358398 
1 1 1 15 7  27 o 19.343  4.2732 3.0609   1.2612  1.9252   1.5894  4.9914   2.0724  16.088  5.3707 24.665  5.4997 -8.576729      7.687100 
1 1 1 15 7  28 o 67.571  1.7343 35.817   1.8371  36.618   2.4396  34.766   2.7922  68.304  2.2784 66.537  2.6768 1.766808       3.515175 
1 1 1 15 7  29 o 154.216 1.5547 186.543  3.7587  188.084  5.2995  184.982  5.3320  154.801 2.1838 153.516 2.2155 1.284744       3.110873 
1 1 1 15 7  30 o 80.936  1.5071 51.381   1.9122  52.088   2.7790  50.746   2.6352  81.460  2.1762 80.408  2.0906 1.051826       3.017647 
1 1 1 15 7  31 o 171.334 1.6247 230.298  4.3638  231.734  6.0971  228.791  6.2484  171.796 2.2639 170.693 2.3351 1.103378       3.252327 
1 1 1 15 7  32 o 146.863 1.4838 169.196  3.4162  165.377  4.5490  174.137  5.1736  145.148 1.9992 148.919 2.2161 -3.770157      2.984579 
1 1 1 15 7  33 o 69.295  1.6146 37.677   1.7540  38.986   2.2631  35.707   2.7756  70.466  2.0487 67.403  2.6268 3.063866       3.331250 
1 1 1 15 7  34 o 46.213  1.9640 16.768   1.4229  18.007   1.8318  14.883   2.2593  47.806  2.4525 43.342  3.3512 4.463734       4.152750 
1 1 1 15 7  35 o 33.247  2.5105 8.7389   1.2988  8.7376   1.6490  8.7411   2.1080  33.154  3.2131 33.005  4.1671 0.1488800      5.261980 
1 1 1 15 7  36 o 107.820 1.4226 91.215   2.4046  92.327   3.0092  89.252   3.9994  108.445 1.7701 106.553 2.3943 1.891731       2.977549 
1 1 1 15 7  37 o 83.208  1.4592 54.333   1.9034  54.683   2.3704  53.697   3.1937  83.449  1.8120 82.630  2.4655 0.8187866      3.059684 
1 1 1 15 7  38 o 78.715  1.4691 48.629   1.8128  47.497   2.2290  50.840   3.1157  77.766  1.8284 80.390  2.4723 -2.624207      3.074931 
1 1 1 15 7  39 o 74.507  1.5006 43.576   1.7528  44.562   2.2143  41.922   2.8684  75.315  1.8754 72.986  2.5069 2.329475       3.130815 
1 1 1 15 7  40 o 136.726 1.3923 146.724  2.9842  143.745  3.8614  151.141  4.7024  135.267 1.8210 138.639 2.1636 -3.372147      2.827901 
1 1 1 15 7  41 o 35.069  2.2900 9.7173   1.2520  8.8150   1.5001  11.789   2.2731  33.309  2.9018 38.393  3.8276 -5.084183      4.803244 
1 1 1 15 7  42 o 161.721 1.5311 205.372  3.8817  207.617  4.8573  201.406  6.4570  162.521 1.9065 159.886 2.5761 2.634796       3.204862 
1 1 1 15 7  43 o 46.294  1.8718 16.847   1.3584  17.166   1.6898  16.263   2.2838  46.696  2.3083 45.242  3.2416 1.454166       3.979486 
1 1 1 15 7  44 o 49.324  1.8912 19.129   1.4623  17.887   1.8280  21.336   2.4369  47.583  2.4590 51.884  3.0090 -4.301025      3.886014 
1 1 1 15 7  45 o 59.972  1.6437 28.262   1.5454  30.596   2.1317  25.676   2.2435  62.341  2.1813 57.069  2.5077 5.271282       3.323631 
1 1 1 15 7  46 o 9.9745  4.2102 0.0882   1.1287  0.4106   1.5881  -0.2409  1.6045  12.339  5.0840 11.204  4.8783 1.135004       7.045963 
1 1 1 15 7  47 o 36.098  2.3268 10.312   1.3097  11.674   1.9218  9.1299   1.7897  38.258  3.2346 33.760  3.4292 4.497520       4.714024 
1 1 1 15 7  48 o 64.510  1.6525 32.714   1.6711  33.409   2.4185  32.080   2.3118  65.092  2.3701 63.793  2.3117 1.298325       3.310773 
1 1 1 15 7  49 o 45.141  2.1014 16.051   1.4871  15.908   2.0056  16.225   2.2163  44.755  2.8738 45.141  3.1516 -0.3863029     4.265119 
1 1 1 15 7  50 o 93.916  1.5248 69.324   2.2450  71.879   2.9523  65.823   3.4567  95.544  1.9711 91.327  2.4144 4.217087       3.116801 
1 1 1 15 7  51 o 17.576  4.3330 2.5735   1.1863  3.1568   1.5259  1.6822   1.8862  19.409  4.9880 15.802  5.8041 3.606853       7.652945 
1 1 1 15 7  52 f 45.009  1.9454 15.958   1.3727  16.111   1.8920  15.788   1.9945  45.044  2.6917 44.550  2.8711 0.4943199      3.935530 
1 1 1 15 7  53 o 75.823  1.5909 45.223   1.8910  44.766   2.6746  45.680   2.6739  75.302  2.2657 76.072  2.2421 -0.7706604     3.187556 
1 1 1 15 7  54 o 23.867  3.1390 4.6050   1.1460  4.1668   1.6928  4.9757   1.5570  22.234  4.9803 24.555  4.1954 -2.320793      6.511861 
1 1 1 15 7  55 o 74.457  1.5080 43.614   1.7602  45.804   2.6853  41.964   2.3307  76.133  2.2499 72.924  2.0388 3.208679       3.036230 
1 1 1 15 7  56 o 39.440  2.0623 12.316   1.2707  12.239   1.8984  12.378   1.7103  39.065  3.1260 39.378  2.7885 -0.3133278     4.189030 
1 1 1 15 7  57 o 24.022  3.0321 4.6703   1.1164  3.1741   1.6599  5.9060   1.5086  19.299  5.3167 26.879  3.6764 -7.580534      6.464031 
1 1 1 15 7  58 o 38.667  2.0652 11.854   1.2473  13.022   1.8824  10.940   1.6654  40.283  3.0024 36.935  2.8994 3.348137       4.173837 
1 1 1 15 7  59 o 27.246  2.7267 5.9709   1.1490  4.3385   1.7187  7.2902   1.5451  22.510  5.0004 29.954  3.3476 -7.444494      6.017509 
1 1 1 15 7  60 o 9.5535  4.0352 0.1232   1.0379  -0.2147  1.5500  0.3978   1.3975  10.862  4.7601 11.479  4.7529 -0.6171770     6.726745 
1 1 1 15 7  61 o 8.6412  3.8721 -0.4129  1.0834  -0.9163  1.6772  -0.0525  1.4192  10.251  4.6825 10.649  4.6122 -0.3979940     6.572551 
1 1 1 15 7  62 o 58.876  1.6084 27.373   1.4845  26.675   2.2100  27.947   2.0040  57.845  2.4371 59.316  2.1551 -1.471748      3.253257 
1 1 1 15 7  63 o 13.928  4.4234 1.6066   1.0854  -0.7083  1.5476  3.8475   1.5227  10.011  4.5436 21.064  4.7271 -11.05382      6.556663 
1 1 1 15 7  64 o 44.962  2.1088 16.082   1.4864  15.996   1.9578  16.199   2.2838  44.503  2.8208 44.549  3.2934 -0.4610062E-01 4.336331 
1 1 1 15 7  65 o 38.278  2.0960 11.697   1.2530  14.118   2.0468  10.247   1.5845  41.599  3.1624 35.534  2.8689 6.064941       4.269847 
1 1 1 15 7  66 o 43.498  1.8143 15.014   1.2372  15.563   1.8618  14.580   1.6555  43.877  2.7201 42.568  2.4917 1.308949       3.688851 
1 1 1 15 7  67 o 8.4504  3.9427 -1.0433  1.2843  -1.3502  1.8831  -0.7764  1.7561  10.275  4.7874 10.549  4.8081 -0.2740145     6.785072 
1 1 1 15 7  68 o 19.755  4.0136 3.3571   1.2006  2.8344   1.5946  4.0411   1.8241  17.790  5.3120 21.073  5.4729 -3.282627      7.626858 
1 1 1 15 7  69 o 29.404  3.1262 7.1255   1.4189  6.3696   1.8384  8.2392   2.2316  27.108  4.4827 30.705  4.7927 -3.596851      6.562365 
1 1 1 15 7  70 o 13.875  5.3569 1.3483   1.6519  -2.4423  2.7659  3.4501   2.0596  11.686  5.5533 19.238  6.0917 -7.552043      8.243006 
1 1 1 15 7  71 o 27.341  4.0136 6.4085   1.6691  6.9009   2.4225  5.9637   2.3028  27.163  5.8610 25.145  5.9370 2.017628       8.342632 
1 1 1 15 7  72 o 41.294  3.3803 14.229   2.1690  16.892   2.6771  9.1404   3.7008  44.606  3.8666 29.167  7.8990 15.43939       8.794598 
1 1 1 15 7  73 o 39.100  3.2946 12.789   2.0006  12.980   2.3196  12.235   3.9532  38.955  3.8487 34.000  7.6070 4.955261       8.525163 
1 1 1 15 8  0  o 10.138  5.9880 0.9006   1.6333  0.9006   1.6333  0.9006   1.6333  10.138  5.9880 10.138  5.9880 0.000000       0.000000 
1 1 1 15 8  1  o 79.412  1.4111 49.446   1.7567  51.410   2.4934  47.511   2.4753  80.962  1.9645 77.830  2.0287 3.132202       2.824041 
1 1 1 15 8  2  o 273.027 1.7718 584.575  7.5834  574.029  10.557  595.818  10.901  270.490 2.4896 275.573 2.5232 -5.082428      3.544705 
1 1 1 15 8  3  o 26.673  3.0084 5.6550   1.2360  6.4752   1.7389  4.8174   1.7571  28.429  4.0133 24.331  4.7772 4.098104       6.239279 
1 1 1 15 8  4  o 54.152  1.6945 22.996   1.4385  22.207   2.0136  23.818   2.0558  53.203  2.4143 55.100  2.3800 -1.896614      3.390164 
1 1 1 15 8  5  o 53.438  1.7195 22.393   1.4405  24.884   2.0574  19.999   2.0174  56.320  2.3302 50.421  2.5607 5.899002       3.462247 
1 1 1 15 8  6  o 310.187 2.0127 754.646  9.7874  761.729  14.522  748.751  13.248  311.524 2.9736 308.891 2.7359 2.632690       4.040729 
1 1 1 15 8  7  o 277.843 1.9376 605.449  8.4394  622.541  12.194  589.734  11.692  281.652 2.7617 274.135 2.7207 7.516846       3.876740 
1 1 1 15 8  8  o 258.495 1.9322 524.064  7.8301  535.180  11.747  515.175  10.504  261.129 2.8695 256.231 2.6150 4.898651       3.882310 
1 1 1 15 8  9  o 172.733 1.5156 233.956  4.1039  233.879  5.7477  234.035  5.8616  172.674 2.1233 172.729 2.1647 -0.5503845E-01 3.032232 
1 1 1 15 8  10 o 160.016 1.5510 200.779  3.8907  199.678  5.7347  201.719  5.2962  159.539 2.2929 160.363 2.1067 -0.8238678     3.113772 
1 1 1 15 8  11 o 161.286 1.4778 203.974  3.7366  203.218  5.2613  204.743  5.3077  160.958 2.0851 161.561 2.0957 -0.6021118     2.956242 
1 1 1 15 8  12 o 57.153  1.7705 25.618   1.5864  27.251   2.2352  23.960   2.2518  58.934  2.4194 55.257  2.5995 3.677307       3.551145 
1 1 1 15 8  13 o 206.742 1.7057 335.195  5.5283  345.070  7.6000  324.099  8.0562  209.721 2.3116 203.230 2.5287 6.490891       3.426025 
1 1 1 15 8  14 o 107.660 1.5286 90.889   2.5798  90.778   3.5831  91.009   3.7174  107.574 2.1247 107.707 2.2016 -0.1332855     3.059668 
1 1 1 15 8  15 o 122.379 1.6184 117.448  3.1049  119.659  4.1481  114.631  4.6823  123.504 2.1425 120.865 2.4712 2.639015       3.270642 
1 1 1 15 8  16 o 160.775 1.8163 202.733  4.5777  200.633  6.4060  204.924  6.5440  159.892 2.5557 161.591 2.5833 -1.698547      3.633835 
1 1 1 15 8  17 o 286.151 2.5701 642.633  11.529  654.202  15.494  628.283  17.257  288.574 3.4250 282.708 3.8938 5.866608       5.185732 
1 1 1 15 8  18 o 97.687  1.8403 74.850   2.8182  72.402   3.7003  78.231   4.3489  96.052  2.4574 99.827  2.7790 -3.774788      3.709653 
1 1 1 15 8  19 o 264.663 2.4434 549.720  10.138  544.060  13.345  557.445  15.590  263.176 3.2345 266.299 3.7344 -3.122833      4.940464 
1 1 1 15 8  20 o 126.214 1.7199 124.943  3.4029  129.046  4.7929  120.771  4.8323  128.232 2.3842 124.046 2.4849 4.186043       3.443752 
1 1 1 15 8  21 o 113.855 1.5973 101.666  2.8510  101.763  4.2184  101.584  3.8683  113.871 2.3631 113.782 2.1687 0.8940125E-01  3.207386 
1 1 1 15 8  22 o 98.023  1.6923 75.366   2.6006  76.543   3.6527  74.155   3.7033  98.755  2.3594 97.198  2.4304 1.556946       3.387265 
1 1 1 15 8  23 o 176.346 1.8385 243.959  5.0827  241.932  7.1140  246.072  7.2644  175.540 2.5851 177.032 2.6176 -1.491943      3.678912 
1 1 1 15 8  24 f 107.799 1.6771 91.154   2.8342  87.568   3.9004  95.165   4.1254  105.620 2.3557 110.104 2.3901 -4.483589      3.355832 
1 1 1 15 8  25 o 61.599  1.7697 29.768   1.7089  30.575   2.2157  28.583   2.6847  62.411  2.2647 60.319  2.8391 2.092255       3.631718 
1 1 1 15 8  26 o 14.967  4.6432 1.7572   1.2030  0.6012   1.5252  3.6602   1.9569  12.639  5.0642 21.161  5.7493 -8.522445      7.661653 
1 1 1 15 8  27 o 74.224  1.5359 43.215   1.7871  45.136   2.2627  40.031   2.9137  75.840  1.9031 71.386  2.6036 4.453773       3.225011 
1 1 1 15 8  28 o 137.368 1.5299 148.028  3.2947  145.891  4.2128  151.393  5.2866  136.336 1.9711 138.835 2.4290 -2.498672      3.128117 
1 1 1 15 8  29 o 121.448 1.3789 115.694  2.6254  114.329  3.4102  117.680  4.1135  120.699 1.8023 122.424 2.1434 -1.725578      2.800405 
1 1 1 15 8  30 o 64.677  1.5640 32.821   1.5858  32.506   2.0881  33.251   2.4373  64.342  2.0702 65.056  2.3898 -0.7137375     3.161809 
1 1 1 15 8  31 o 77.995  1.5288 47.731   1.8693  47.706   2.3327  47.776   3.1249  77.952  1.9088 77.960  2.5568 -0.8056641E-02 3.190784 
1 1 1 15 8  32 o 50.168  1.7630 19.757   1.3866  19.486   1.8144  20.138   2.1497  49.796  2.3243 50.526  2.7241 -0.7300873     3.580928 
1 1 1 15 8  33 o 94.698  1.4256 70.365   2.1163  69.388   2.6629  72.041   3.4870  94.009  1.8069 95.737  2.3234 -1.728195      2.943266 
1 1 1 15 8  34 o 36.318  2.1696 10.403   1.2296  12.479   1.6421  7.7522   1.8552  39.736  2.6513 31.083  3.8926 8.653248       4.709783 
1 1 1 15 8  35 o 68.686  1.4981 37.029   1.6131  37.035   2.0939  37.019   2.5301  68.661  1.9453 68.611  2.3523 0.4978943E-01  3.052434 
1 1 1 15 8  36 o 59.547  1.5889 27.838   1.4833  26.461   1.8954  30.013   2.3825  58.022  2.0837 61.760  2.4608 -3.738232      3.224514 
1 1 1 15 8  37 o 58.590  1.5951 26.954   1.4651  27.289   1.8956  26.456   2.3088  58.921  2.0523 57.970  2.5406 0.9506989      3.265922 
1 1 1 15 8  38 o 20.868  3.5579 3.5382   1.1222  3.0517   1.4327  4.3105   1.8051  19.202  4.7784 22.793  5.1704 -3.591337      7.040316 
1 1 1 15 8  39 o 137.300 1.4090 147.987  3.0328  147.033  3.9497  149.357  4.7342  136.783 1.8419 137.786 2.1917 -1.003067      2.862949 
1 1 1 15 8  40 o 123.787 1.3869 120.295  2.6914  120.338  3.5252  120.236  4.1672  123.740 1.8173 123.622 2.1503 0.1183929      2.815367 
1 1 1 15 8  41 o 67.472  1.4906 35.751   1.5767  32.503   1.9903  41.223   2.5834  64.288  1.9749 72.360  2.2774 -8.071579      3.014421 
1 1 1 15 8  42 o 32.832  2.3807 8.5365   1.2170  9.1383   1.6530  7.8242   1.7984  33.851  3.1512 31.181  3.7546 2.670015       4.901768 
1 1 1 15 8  43 o 66.532  1.5584 34.777   1.6254  37.028   2.2465  32.304   2.3547  68.589  2.0893 64.030  2.3458 4.559441       3.141372 
1 1 1 15 8  44 o 10.437  4.3024 0.2762   1.1380  1.5208   1.4309  -1.8664  1.8774  14.532  5.0887 10.052  4.7148 4.479544       6.937144 
1 1 1 15 8  45 o 61.938  1.6424 30.155   1.5947  28.219   2.1542  32.502   2.3720  59.837  2.2965 64.208  2.3566 -4.371246      3.290449 
1 1 1 15 8  46 o 38.484  2.1647 11.705   1.3007  9.8896   1.7237  14.105   1.9821  35.192  3.1579 42.105  3.0230 -6.912987      4.371600 
1 1 1 15 8  47 o 76.273  1.6025 45.734   1.9161  47.063   2.4648  43.704   3.0462  77.305  2.0339 74.381  2.6124 2.923401       3.310762 
1 1 1 15 8  48 o 14.396  4.7179 1.6105   1.2286  1.3473   1.5416  2.0686   2.0339  14.276  5.2467 16.962  6.0546 -2.685941      8.011625 
1 1 1 15 8  49 o 14.626  4.7423 1.6802   1.2426  1.2896   1.5765  2.3211   2.0192  14.203  5.2896 17.503  6.0497 -3.300306      8.036106 
1 1 1 15 8  50 o 47.134  1.9991 17.507   1.4771  18.356   2.1475  16.745   2.0350  48.046  2.8642 45.888  2.8429 2.158413       4.035558 
1 1 1 15 8  51 o 23.638  3.2995 4.5289   1.1893  4.6747   1.7774  4.4107   1.6004  23.601  4.9617 22.999  4.5996 0.6016445      6.765640 
1 1 1 15 8  52 o 27.010  3.0272 5.8670   1.2597  6.2556   2.0501  5.6313   1.5968  27.364  4.9617 26.206  4.0148 1.158440       6.382531 
1 1 1 15 8  53 o 34.341  2.2440 9.3581   1.2014  9.2198   1.7047  9.4945   1.6935  33.859  3.2516 34.383  3.1779 -0.5242157     4.546611 
1 1 1 15 8  54 o 37.782  2.0445 11.303   1.2065  11.648   1.7052  10.957   1.7072  38.172  2.8705 36.990  2.9691 1.181267       4.129838 
1 1 1 15 8  55 o 97.318  1.4029 74.511   2.1403  76.685   3.0640  72.439   2.9911  98.545  1.9834 95.775  1.9921 2.770302       2.811110 
1 1 1 15 8  56 o 36.638  2.1598 10.658   1.2350  12.616   1.8014  8.9214   1.6964  39.674  2.9169 33.216  3.3016 6.457424       4.405529 
1 1 1 15 8  57 o 58.099  1.7146 26.631   1.5617  26.839   2.1235  26.386   2.3047  58.167  2.3287 57.606  2.5521 0.5617180      3.454838 
1 1 1 15 8  58 o 9.0812  4.0031 -0.2504  1.1107  0.1116   1.5190  -0.6663  1.6282  11.327  4.8364 10.448  4.7087 0.8789978      6.749996 
1 1 1 15 8  59 f 24.900  2.9902 5.0388   1.1439  5.4207   1.6807  4.7091   1.5613  25.359  4.3864 23.600  4.3815 1.759274       6.199828 
1 1 1 15 8  60 o 24.476  3.0218 4.8839   1.1349  4.9782   1.6809  4.8049   1.5384  24.143  4.6094 23.839  4.2735 0.3037224      6.285673 
1 1 1 15 8  61 o 16.941  4.2325 2.4620   1.1208  3.9655   1.7958  1.5026   1.4345  21.170  5.3954 14.117  5.0800 7.052857       7.410564 
1 1 1 15 8  62 o 12.414  4.4843 1.1288   1.1192  -0.3852  1.6996  2.2877   1.4870  10.985  4.8912 16.340  5.1763 -5.355356      7.121666 
1 1 1 15 8  63 o 40.214  2.2141 12.933   1.3904  15.565   2.1652  11.086   1.8138  43.680  3.1839 36.835  3.1720 6.845612       4.494329 
1 1 1 15 8  64 o 27.621  2.9702 6.2405   1.2659  3.7471   1.9055  8.2101   1.6936  20.301  5.7346 31.488  3.4896 -11.18707      6.712902 
1 1 1 15 8  65 o 20.863  3.8765 3.7091   1.2212  5.2770   1.9266  2.6560   1.5789  24.312  5.2115 17.305  5.3115 7.006985       7.441157 
1 1 1 15 8  66 o 25.057  3.6423 5.2758   1.3888  5.6036   1.8102  4.8068   2.1655  25.289  4.7401 22.733  5.9918 2.556185       7.640070 
1 1 1 15 8  67 o 54.145  1.7483 23.276   1.4839  25.826   2.2520  21.319   1.9728  56.637  2.5364 51.506  2.4433 5.130634       3.521766 
1 1 1 15 8  68 o 19.715  3.9729 3.3549   1.1855  2.7943   2.1994  3.5845   1.4074  17.741  6.3001 20.135  4.5640 -2.394188      7.779544 
1 1 1 15 8  69 o 46.912  2.0096 17.576   1.4779  17.556   1.9135  17.606   2.3268  46.509  2.6353 46.180  3.2344 0.3291817      4.172124 
1 1 1 15 8  70 o 28.253  3.5908 6.7449   1.5545  8.5230   2.1783  4.8996   2.2191  31.135  4.6014 22.538  6.1220 8.596727       7.658432 
1 1 1 15 8  71 o 48.994  2.8838 19.725   2.2052  20.549   3.0286  18.795   3.2171  49.017  3.9755 46.352  4.4834 2.664471       5.992105 
1 1 1 15 8  72 o 32.440  3.8874 9.0810   1.9375  10.176   2.7240  7.9597   2.7564  33.003  5.4558 28.269  6.3721 4.733408       8.388597 
1 1 1 15 9  0  o 155.593 2.0810 189.927  5.0739  189.927  5.0739  189.927  5.0739  155.593 2.0810 155.593 2.0810 0.000000       0.000000 
1 1 1 15 9  1  o 236.566 1.7546 438.905  6.5070  440.058  9.2408  437.772  9.1642  236.809 2.4892 236.195 2.4750 0.6145172      3.510197 
1 1 1 15 9  2  o 167.669 1.6340 220.466  4.2950  230.833  6.9494  214.059  5.4634  171.503 2.5848 165.188 2.1098 6.315399       3.336469 
1 1 1 15 9  3  o 109.045 1.4921 93.242   2.5507  91.717   3.7539  94.549   3.4766  108.123 2.2147 109.788 2.0200 -1.664833      2.997527 
1 1 1 15 9  4  o 164.017 1.6394 210.968  4.2153  207.090  5.8716  215.092  6.0552  162.463 2.3054 165.570 2.3329 -3.107010      3.279838 
1 1 1 15 9  5  f 128.031 1.5868 128.545  3.1850  126.949  4.4524  130.217  4.5578  127.204 2.2328 128.830 2.2568 -1.625511      3.174622 
1 1 1 15 9  6  o 238.835 2.1560 447.503  8.0722  448.999  11.481  446.040  11.352  239.128 3.0626 238.342 3.0381 0.7858429      4.313938 
1 1 1 15 9  7  o 45.319  2.5961 16.172   1.8367  17.786   2.7585  14.887   2.4618  47.426  3.7406 43.372  3.6548 4.053577       5.229671 
1 1 1 15 9  8  o 59.539  2.1308 27.810   1.9888  31.318   2.8601  24.525   2.7674  63.160  2.8886 55.792  3.1772 7.367565       4.294037 
1 1 1 15 9  9  o 16.844  5.7309 2.0625   1.8101  2.1922   2.5937  1.9393   2.5273  18.589  6.8095 17.969  6.6964 0.6205826      9.550420 
1 1 1 15 9  10 o 334.885 3.1377 880.771  16.473  903.781  23.793  859.590  22.828  338.888 4.4786 330.520 4.4058 8.367706       6.282426 
1 1 1 15 9  11 o 156.673 1.9448 192.552  4.7768  189.251  7.0109  195.411  6.5259  155.254 2.8806 157.782 2.6383 -2.527878      3.906214 
1 1 1 15 9  12 o 110.820 1.6441 96.317   2.8562  93.737   3.7586  99.843   4.3941  109.302 2.1935 112.790 2.4851 -3.488274      3.314695 
1 1 1 15 9  13 o 61.906  1.9226 30.063   1.8659  29.366   2.4405  31.044   2.8947  61.167  2.5451 62.875  2.9368 -1.708214      3.886180 
1 1 1 15 9  14 o 107.440 1.6402 90.534   2.7627  88.317   3.6256  93.603   4.2660  106.092 2.1799 109.204 2.4919 -3.111778      3.310841 
1 1 1 15 9  15 o 81.999  1.8327 52.743   2.3558  51.748   3.3230  53.749   3.3403  81.190  2.6108 82.746  2.5751 -1.555977      3.667061 
1 1 1 15 9  16 o 70.654  1.7330 39.156   1.9195  40.262   2.5065  37.587   2.9849  71.628  2.2322 69.187  2.7521 2.441826       3.543503 
1 1 1 15 9  17 o 143.256 1.5030 160.948  3.3754  159.058  4.5152  163.342  5.0819  142.381 2.0229 144.268 2.2470 -1.887756      3.023418 
1 1 1 15 9  18 o 100.720 1.4790 79.560   2.3353  81.737   3.1918  77.051   3.4258  102.066 1.9948 99.086  2.2055 2.980202       2.973774 
1 1 1 15 9  19 o 115.104 1.4531 103.908  2.6221  109.040  3.6140  98.203   3.8102  117.886 1.9555 111.861 2.1728 6.024414       2.923189 
1 1 1 15 9  20 o 94.596  1.4796 70.183   2.1941  71.042   2.9580  69.133   3.2715  95.150  1.9831 93.850  2.2236 1.300056       2.979434 
1 1 1 15 9  21 o 109.180 1.4607 93.493   2.5001  98.067   3.4584  88.486   3.6185  111.790 1.9734 106.176 2.1740 5.614006       2.936048 
1 1 1 15 9  22 o 89.876  1.4702 63.358   2.0714  63.583   2.7977  63.084   3.0817  90.011  1.9827 89.645  2.1929 0.3659286      2.956310 
1 1 1 15 9  23 o 195.941 1.6546 301.207  5.0825  304.819  6.9337  297.013  7.4718  197.038 2.2447 194.467 2.4509 2.570511       3.323495 
1 1 1 15 9  24 o 60.156  1.6832 28.393   1.5873  27.840   2.1156  29.105   2.4011  59.543  2.2664 60.868  2.5163 -1.325024      3.386479 
1 1 1 15 9  25 o 29.939  2.7480 7.1048   1.2754  6.8395   1.6878  7.4579   1.9473  29.223  3.7722 30.467  4.1878 -1.243479      5.636259 
1 1 1 15 9  26 o 41.929  2.1726 13.843   1.4231  13.970   1.8250  13.646   2.2734  42.060  2.7835 41.473  3.5302 0.5863609      4.495641 
1 1 1 15 9  27 o 41.886  2.0744 13.777   1.3621  14.845   1.8612  12.547   1.9988  43.361  2.7524 39.789  3.2324 3.571815       4.245472 
1 1 1 15 9  28 o 11.290  4.5014 0.5111   1.1988  -0.4930  1.6014  1.7911   1.8082  10.851  4.7939 16.100  5.7128 -5.248853      7.457737 
1 1 1 15 9  29 o 87.302  1.4234 59.801   1.9481  61.044   2.5841  58.164   2.9650  88.173  1.8695 86.039  2.1983 2.133881       2.885747 
1 1 1 15 9  30 o 23.557  3.2417 4.4550   1.1654  4.9664   1.5409  3.7713   1.7816  24.738  4.1180 21.360  5.3359 3.377800       6.740210 
1 1 1 15 9  31 o 132.030 1.4673 136.804  3.0370  133.508  3.7556  143.032  5.1624  130.384 1.8374 134.856 2.4419 -4.471756      3.055979 
1 1 1 15 9  32 o 22.048  3.4402 3.9274   1.1503  4.6009   1.5121  3.0023   1.7721  23.756  4.2144 19.189  5.5657 4.567797       6.981325 
1 1 1 15 9  33 f 63.718  1.5934 31.876   1.5916  32.365   2.0221  31.079   2.5805  64.174  2.0100 62.829  2.6199 1.345055       3.302122 
1 1 1 15 9  34 o 130.412 1.4635 133.505  2.9920  132.726  4.0136  134.479  4.4888  129.953 1.9701 130.768 2.1897 -0.8142548     2.945496 
1 1 1 15 9  35 o 113.424 1.3923 100.982  2.4757  100.030  3.2211  102.356  3.8699  112.831 1.8211 114.079 2.1639 -1.248177      2.828206 
1 1 1 15 9  36 o 69.054  1.5251 37.443   1.6510  38.732   2.1602  35.632   2.5603  70.191  1.9631 67.271  2.4278 2.920158       3.122166 
1 1 1 15 9  37 o 50.258  1.7492 19.848   1.3782  19.990   1.8213  19.658   2.1081  50.392  2.3055 49.858  2.7072 0.5341034      3.555884 
1 1 1 15 9  38 o 130.632 1.4153 133.988  2.8983  134.299  3.7899  133.550  4.4980  130.704 1.8496 130.259 2.2027 0.4449921      2.876289 
1 1 1 15 9  39 o 49.873  1.7550 19.551   1.3722  19.017   1.8038  20.284   2.1139  49.134  2.3418 50.638  2.6724 -1.503429      3.553295 
1 1 1 15 9  40 o 55.216  1.7439 23.967   1.5095  22.218   2.0152  26.203   2.2786  53.092  2.4212 57.644  2.5215 -4.551586      3.495712 
1 1 1 15 9  41 o 44.827  1.9491 15.811   1.3697  14.632   1.8574  17.215   2.0279  42.954  2.7732 46.603  2.7886 -3.649185      3.932786 
1 1 1 15 9  42 o 53.084  1.8105 22.163   1.5067  21.346   2.0483  23.127   2.2241  52.014  2.5120 54.125  2.6213 -2.110695      3.630565 
1 1 1 15 9  43 o 67.066  1.7059 35.367   1.7936  35.093   2.3053  35.788   2.8549  66.735  2.2036 67.303  2.7058 -0.5680389     3.489559 
1 1 1 15 9  44 o 41.231  2.2210 13.438   1.4303  12.816   2.0187  14.065   2.0267  40.072  3.2413 42.022  3.0984 -1.949734      4.484046 
1 1 1 15 9  45 o 41.845  2.1459 13.835   1.4030  14.507   1.9970  13.181   1.9715  42.691  3.0030 40.659  3.1168 2.032440       4.328089 
1 1 1 15 9  46 o 43.326  2.0967 14.794   1.4241  14.805   2.0128  14.783   2.0153  43.121  2.9961 43.086  3.0024 0.3509521E-01  4.241592 
1 1 1 15 9  47 o 9.7674  4.2131 -0.0865  1.1746  0.7021   1.6680  -0.8623  1.6544  13.121  5.2823 10.400  4.7113 2.720858       7.078029 
1 1 1 15 9  48 o 78.005  1.6335 47.870   1.9976  47.404   2.8211  48.339   2.8289  77.480  2.3226 78.244  2.3063 -0.7641068     3.273146 
1 1 1 15 9  49 o 13.043  4.6262 1.2102   1.1856  1.4811   1.6633  0.9303   1.6905  14.820  5.4494 13.632  5.3736 1.188250       7.653201 
1 1 1 15 9  50 o 18.652  4.3271 2.9137   1.2408  2.5103   2.0488  3.1474   1.5592  17.897  6.0971 19.305  5.0824 -1.407686      7.937582 
1 1 1 15 9  51 o 60.588  1.7832 28.926   1.6937  29.677   2.3717  28.145   2.4194  61.221  2.4712 59.590  2.5899 1.631298       3.579748 
1 1 1 15 9  52 o 19.410  4.2523 3.1596   1.2582  4.8157   1.7687  1.4631   1.7901  23.887  4.8878 14.974  5.6248 8.913666       7.451797 
1 1 1 15 9  53 o 15.037  4.6977 1.8459   1.2289  2.3626   1.6957  1.2744   1.7835  17.027  5.5409 14.509  5.5758 2.517962       7.860758 
1 1 1 15 9  54 o 17.739  4.5857 2.6683   1.2846  2.4668   2.0818  2.7922   1.6324  17.672  6.1408 18.146  5.3643 -0.4745235     8.153831 
1 1 1 15 9  55 o 60.263  1.8125 28.675   1.7123  25.681   2.7434  30.586   2.1916  56.552  3.1063 62.115  2.2507 -5.562866      3.835982 
1 1 1 15 9  56 o 31.570  2.7504 8.0117   1.3476  8.5832   2.2682  7.6999   1.6753  31.981  4.6612 30.693  3.5470 1.287346       5.857342 
1 1 1 15 9  57 o 19.314  4.1167 3.1584   1.2083  2.5278   1.9417  3.5570   1.5437  17.499  5.9357 20.292  4.9066 -2.792965      7.701065 
1 1 1 15 9  58 o 38.402  2.3723 11.787   1.4212  12.054   2.1423  11.577   1.8993  38.362  3.6045 37.745  3.2413 0.6168518      4.847533 
1 1 1 15 9  59 o 21.066  4.1116 3.7684   1.3091  1.9158   1.9550  5.2743   1.7626  15.956  5.9008 24.764  4.7125 -8.808357      7.551603 
1 1 1 15 9  60 o 55.442  1.8500 24.369   1.6079  25.575   2.3887  23.370   2.1742  56.439  2.6998 54.012  2.5677 2.426498       3.725909 
1 1 1 15 9  61 o 39.229  2.3017 12.330   1.4093  11.465   2.1126  13.023   1.8917  37.209  3.6696 40.005  3.0391 -2.795784      4.764655 
1 1 1 15 9  62 f 15.341  4.7025 2.0272   1.2381  1.9496   1.8165  2.0945   1.6920  15.666  5.7047 15.876  5.5349 -0.2100449     7.948551 
1 1 1 15 9  63 o 9.2431  4.1468 -0.4074  1.2465  1.8352   1.7376  -2.7852  1.7892  15.246  5.5753 8.5882  4.1768 6.657920       6.966294 
1 1 1 15 9  64 o 11.568  4.6334 0.7021   1.2763  1.0665   1.7829  0.3192   1.8277  13.606  5.4670 12.352  5.2906 1.253577       7.607785 
1 1 1 15 9  65 o 22.695  3.7196 4.3660   1.2775  4.4463   1.8437  4.2918   1.7718  22.100  5.3735 21.766  5.2528 0.3339577      7.514425 
1 1 1 15 9  66 o 37.711  2.4371 11.485   1.4331  10.798   2.1282  12.055   1.9384  35.789  3.8541 38.200  3.2684 -2.411621      5.053372 
1 1 1 15 9  67 o 28.706  3.3969 6.8843   1.4990  7.7887   2.0713  5.8898   2.1721  29.858  4.5708 25.228  5.6344 4.629883       7.255243 
1 1 1 15 9  68 o 35.701  2.3694 10.310   1.3186  12.016   2.1039  9.2064   1.6921  37.824  3.5913 33.254  3.2890 4.569759       4.869758 
1 1 1 15 9  69 o 15.697  5.3886 2.1893   1.6007  2.4486   2.6036  2.0318   2.0296  17.030  6.6828 15.688  5.9672 1.341286       8.959183 
1 1 1 15 9  70 o 29.083  3.6846 7.2357   1.6422  6.5516   2.4741  7.7744   2.1957  25.775  6.1990 29.223  4.9708 -3.447920      7.945833 
1 1 1 15 9  71 o 38.624  2.7331 12.302   1.6442  12.939   2.4164  11.753   2.2437  38.504  4.0647 36.785  3.9529 1.719017       5.669850 
1 1 1 15 10 0  o 36.996  5.7902 11.518   3.1127  11.518   3.1127  11.518   3.1127  36.996  5.7902 36.996  5.7902 0.000000       0.000000 
1 1 1 15 10 1  o 202.125 3.1638 320.967  10.025  317.076  17.264  322.947  12.314  200.434 5.4944 202.631 3.8764 -2.197479      6.724212 
1 1 1 15 10 2  o 151.715 2.5355 180.685  6.0304  177.270  11.677  181.927  7.0420  149.960 4.9672 152.195 2.9515 -2.235291      5.777935 
1 1 1 15 10 3  o 28.468  4.9907 6.5738   2.1461  4.3680   3.5250  7.8730   2.7052  24.052  7.9969 31.087  5.7632 -7.035254      9.857175 
1 1 1 15 10 4  o 126.019 1.8994 124.583  3.7523  130.269  7.1164  122.394  4.4161  128.730 3.5263 124.885 2.2557 3.845047       4.186070 
1 1 1 15 10 5  o 82.422  1.7938 53.290   2.3177  52.401   3.5496  53.950   3.0601  81.689  2.7718 82.909  2.3544 -1.219765      3.636763 
1 1 1 15 10 6  o 45.583  2.5990 16.366   1.8495  20.636   2.7469  12.824   2.5015  51.123  3.4476 40.173  4.0263 10.95016       5.300670 
1 1 1 15 10 7  o 94.976  1.6998 70.755   2.5308  75.598   3.9756  67.455   3.2816  98.128  2.5844 92.710  2.2579 5.417397       3.431772 
1 1 1 15 10 8  o 109.813 1.6682 94.587   2.8719  92.722   4.3070  96.080   3.8537  108.677 2.5280 110.648 2.2217 -1.970459      3.365511 
1 1 1 15 10 9  o 18.021  4.8491 2.6472   1.4000  1.2510   2.0096  3.9640   1.9516  15.407  5.9191 21.986  5.6359 -6.579335      8.173058 
1 1 1 15 10 10 o 97.124  1.4902 73.982   2.2690  75.236   3.1052  72.546   3.3236  97.920  2.0228 96.144  2.2051 1.776077       2.992387 
1 1 1 15 10 11 o 90.422  1.5354 64.127   2.1765  63.611   2.9460  64.747   3.2294  90.034  2.0873 90.825  2.2681 -0.7908936     3.082373 
1 1 1 15 10 12 o 151.424 1.6090 179.854  3.8195  182.124  4.9670  176.568  5.9746  152.342 2.0798 149.957 2.5415 2.384796       3.284010 
1 1 1 15 10 13 o 36.838  2.4458 10.701   1.4044  10.231   1.8804  11.295   2.1119  35.914  3.3798 37.720  3.6157 -1.806686      4.949368 
1 1 1 15 10 14 o 173.790 1.6699 236.932  4.5497  223.983  6.1641  252.428  6.7432  168.911 2.3279 179.307 2.3989 -10.39641      3.342715 
1 1 1 15 10 15 o 63.911  1.7012 32.044   1.7044  31.142   2.2481  33.264   2.6139  62.983  2.2769 65.080  2.5620 -2.097408      3.427545 
1 1 1 15 10 16 o 168.249 1.5625 222.055  4.1212  226.453  5.6478  217.046  6.0272  169.853 2.1210 166.266 2.3124 3.587189       3.137835 
1 1 1 15 10 17 o 79.741  1.5630 49.881   1.9539  49.257   2.6410  50.636   2.9040  79.214  2.1267 80.305  2.3068 -1.090569      3.137566 
1 1 1 15 10 18 o 57.631  1.7832 26.062   1.6110  27.136   2.1989  24.817   2.3671  58.781  2.3862 56.199  2.6868 2.581577       3.593462 
1 1 1 15 10 19 o 125.523 1.4692 123.596  2.8910  122.856  3.8954  124.505  4.3136  125.106 1.9862 125.924 2.1851 -0.8179626     2.952912 
1 1 1 15 10 20 o 21.029  3.8755 3.5954   1.2306  3.1685   1.6390  4.1469   1.8630  19.660  5.2276 22.435  5.3688 -2.775463      7.493413 
1 1 1 15 10 21 o 68.197  1.6366 36.494   1.7497  37.252   2.3350  35.523   2.6424  68.874  2.1626 67.235  2.5070 1.639153       3.310873 
1 1 1 15 10 22 f 36.765  2.3139 10.661   1.3268  10.251   1.7960  11.153   1.9687  35.942  3.2216 37.478  3.3874 -1.535789      4.674809 
1 1 1 15 10 23 o 154.437 1.5284 187.147  3.7004  194.045  5.1013  179.487  5.3759  157.188 2.0702 151.147 2.2688 6.040405       3.071335 
1 1 1 15 10 24 o 163.541 1.5464 209.883  3.9646  210.656  5.3544  208.944  5.8986  163.765 2.0856 163.061 2.3075 0.7046051      3.110397 
1 1 1 15 10 25 o 153.749 1.5201 185.505  3.6639  185.050  4.9376  186.063  5.4657  153.486 2.0521 153.869 2.2659 -0.3832092     3.057019 
1 1 1 15 10 26 o 74.732  1.6115 43.837   1.8879  44.387   2.4300  43.000   2.9987  75.166  2.0622 73.933  2.5873 1.232895       3.308557 
1 1 1 15 10 27 o 205.962 1.7072 333.060  5.5123  331.499  7.4254  334.977  8.2271  205.337 2.3067 206.344 2.5433 -1.006882      3.433586 
1 1 1 15 10 28 o 60.880  1.7325 29.105   1.6534  27.114   2.2870  31.286   2.3932  58.704  2.4851 63.065  2.4207 -4.360947      3.469273 
1 1 1 15 10 29 o 48.140  1.9686 18.211   1.4857  16.722   2.0710  19.790   2.1325  45.975  2.8881 50.053  2.7280 -4.078201      3.972744 
1 1 1 15 10 30 o 96.140  1.4702 72.557   2.2158  72.390   3.0156  72.752   3.2666  95.969  2.0044 96.187  2.1664 -0.2181854     2.951401 
1 1 1 15 10 31 o 48.723  1.9911 18.661   1.5208  19.667   1.9722  17.185   2.3887  49.912  2.5287 46.528  3.2962 3.384327       4.154479 
1 1 1 15 10 32 o 143.927 1.4445 162.627  3.2593  161.844  4.2542  163.741  5.0715  143.499 1.8911 144.258 2.2425 -0.7594147     2.933484 
1 1 1 15 10 33 o 64.041  1.5873 32.211   1.5935  30.993   2.0728  33.972   2.4918  62.770  2.1065 65.680  2.4200 -2.910572      3.208362 
1 1 1 15 10 34 o 33.917  2.3850 9.1042   1.2601  8.6260   1.7164  9.6631   1.8557  32.848  3.3816 34.773  3.4498 -1.924595      4.830762 
1 1 1 15 10 35 o 35.195  2.2544 9.7922   1.2373  8.0756   1.6048  12.308   1.9430  31.786  3.2670 39.327  3.1786 -7.541134      4.558202 
1 1 1 15 10 36 o 150.783 1.4679 178.564  3.4698  178.225  4.5373  179.043  5.3851  150.533 1.9227 150.775 2.2783 -0.2415314     2.981183 
1 1 1 15 10 37 o 39.885  2.1096 12.558   1.3143  12.669   1.7276  12.405   2.0252  39.960  2.7750 39.440  3.3061 0.5200996      4.316308 
1 1 1 15 10 38 o 47.023  1.9307 17.397   1.4232  17.268   1.9417  17.547   2.0921  46.695  2.6636 47.036  2.8507 -0.3416748     3.901446 
1 1 1 15 10 39 o 22.283  3.4730 4.0314   1.1736  4.5136   1.5899  3.4539   1.7398  23.374  4.5021 20.321  5.3776 3.053608       7.013385 
1 1 1 15 10 40 o 72.770  1.5834 41.622   1.8064  41.838   2.4412  41.361   2.6854  72.876  2.1368 72.419  2.3654 0.4567719      3.187612 
1 1 1 15 10 41 o 59.234  1.6974 27.593   1.5762  27.295   2.1304  27.954   2.3430  58.831  2.3100 59.504  2.5117 -0.6733475     3.412391 
1 1 1 15 10 42 o 61.169  1.7864 29.440   1.7130  29.039   2.1925  30.068   2.7445  60.675  2.3051 61.640  2.8402 -0.9655151     3.657869 
1 1 1 15 10 43 o 84.221  1.5253 55.759   2.0139  53.633   2.6902  58.470   3.0375  82.497  2.0801 86.097  2.2505 -3.600410      3.064575 
1 1 1 15 10 44 o 11.668  4.4957 0.7434   1.1616  2.7643   1.5940  -1.5453  1.6964  18.237  5.2755 9.6947  4.5259 8.541974       6.950871 
1 1 1 15 10 45 o 67.225  1.6248 35.550   1.7123  36.264   2.3098  34.680   2.5514  67.800  2.1732 66.243  2.4569 1.556740       3.280083 
1 1 1 15 10 46 o 66.554  1.6419 34.854   1.7131  32.138   2.2538  38.571   2.6362  63.798  2.2535 69.857  2.4072 -6.059181      3.297360 
1 1 1 15 10 47 o 57.042  1.8279 25.635   1.6346  26.821   2.1209  23.898   2.5654  58.257  2.3223 54.763  2.9996 3.493710       3.793512 
1 1 1 15 10 48 o 47.983  1.9333 18.156   1.4542  18.506   1.9930  17.759   2.1266  48.246  2.6452 47.195  2.8883 1.050789       3.916546 
1 1 1 15 10 49 o 55.109  1.8051 23.940   1.5595  23.939   2.3584  23.940   2.0789  54.907  2.7399 54.989  2.4115 -0.8161163E-01 3.649982 
1 1 1 15 10 50 o 35.704  2.2709 10.127   1.2645  8.6066   1.7694  11.715   1.8078  32.588  3.5194 38.218  3.0425 -5.630325      4.652184 
1 1 1 15 10 51 o 39.331  2.1731 12.276   1.3347  11.141   1.8982  13.385   1.8772  37.166  3.2919 40.871  2.9495 -3.705132      4.420035 
1 1 1 15 10 52 o 64.975  1.7384 33.305   1.7707  35.276   2.5515  31.474   2.4593  66.662  2.4416 62.950  2.4921 3.711388       3.488810 
1 1 1 15 10 53 o 13.260  4.6688 1.3072   1.2054  3.2634   1.6749  -0.7946  1.7361  19.450  5.3335 10.665  4.8294 8.784400       7.195105 
1 1 1 15 10 54 o 37.699  2.3021 11.327   1.3540  11.628   1.8491  10.979   1.9882  37.936  3.1374 36.721  3.4960 1.214241       4.697349 
1 1 1 15 10 55 o 17.326  4.3992 2.5666   1.1971  1.4643   1.5681  4.1063   1.8532  14.338  5.2882 21.637  5.4628 -7.298625      7.603105 
1 1 1 15 10 56 o 27.451  3.1148 6.1435   1.3167  6.8163   1.7795  5.3295   1.9574  28.558  4.0919 24.727  5.2139 3.830803       6.627794 
1 1 1 15 10 57 o 48.559  1.9623 18.706   1.4937  15.750   2.0409  22.117   2.1921  44.127  2.9676 52.469  2.6740 -8.341583      3.994552 
1 1 1 15 10 58 o 18.827  4.4041 3.0670   1.2767  2.3693   1.8923  3.6500   1.7297  16.850  5.8546 20.245  5.3642 -3.395340      7.940506 
1 1 1 15 10 59 o 32.203  2.8887 8.4345   1.4428  7.3032   2.2263  9.2536   1.8944  28.875  5.1051 33.378  3.6817 -4.503050      6.294210 
1 1 1 15 10 60 o 17.405  4.5674 2.6559   1.2619  2.3015   1.8041  2.9954   1.7657  16.485  5.7173 18.281  5.6178 -1.795959      8.015406 
1 1 1 15 10 61 o 39.525  2.2466 12.533   1.3863  10.588   2.1141  14.000   1.8362  35.531  3.8574 41.504  2.8392 -5.973034      4.789597 
1 1 1 15 10 62 f 11.619  4.6166 0.7494   1.2570  1.4895   1.8576  0.1242   1.7073  14.602  5.6685 11.680  5.0586 2.921821       7.597445 
1 1 1 15 10 63 o 42.412  2.1945 14.431   1.4541  14.855   2.2338  14.119   1.9155  42.370  3.3914 41.563  2.9591 0.8067970      4.500925 
1 1 1 15 10 64 o 14.708  4.7902 1.8611   1.2672  1.2617   1.8295  2.4140   1.7570  14.013  5.5690 16.563  5.6462 -2.549930      7.930511 
1 1 1 15 10 65 o 21.215  4.0515 3.9002   1.2983  3.0911   1.8914  4.6213   1.7854  18.277  5.8429 22.538  5.1641 -4.260386      7.797917 
1 1 1 15 10 66 o 10.448  4.5008 0.1352   1.3369  0.5957   1.8427  -0.3765  1.9425  12.704  5.3717 11.491  5.1643 1.212786       7.451487 
1 1 1 15 10 67 o 36.389  2.7853 10.863   1.5768  11.427   2.2939  10.357   2.1710  36.428  4.0874 34.678  4.0710 1.750164       5.768861 
1 1 1 15 10 68 o 12.915  5.2651 0.9832   1.6808  0.9767   2.6149  0.9878   2.1941  14.629  6.2982 13.921  5.8727 0.7082281      8.611383 
1 1 1 15 10 69 o 29.513  4.1052 7.6430   1.8479  11.208   2.9235  5.2708   2.3846  34.360  5.6219 22.675  6.4186 11.68487       8.532571 
1 1 1 15 11 0  o 34.879  3.5607 9.8460   1.9005  9.8460   1.9005  9.8460   1.9005  34.879  3.5607 34.879  3.5607 -0.000000      0.000000 
1 1 1 15 11 1  o 67.061  1.6291 35.279   1.7126  35.841   2.4346  34.729   2.4096  67.565  2.2986 66.509  2.3111 1.056374       3.259542 
1 1 1 15 11 2  o 103.086 1.4379 83.349   2.3237  87.510   3.3645  79.554   3.2131  105.594 2.0325 100.679 2.0358 4.914665       2.876672 
1 1 1 15 11 3  o 121.272 1.4334 115.352  2.7250  113.968  3.8456  116.747  3.8619  120.503 2.0357 121.965 2.0198 -1.461777      2.867715 
1 1 1 15 11 4  o 135.386 1.4432 143.767  3.0631  141.696  4.2955  145.910  4.3693  134.364 2.0393 136.347 2.0442 -1.982941      2.887428 
1 1 1 15 11 5  o 39.086  2.3389 12.038   1.4266  12.452   1.9321  11.543   2.1152  39.672  3.1321 38.131  3.5805 1.541718       4.757070 
1 1 1 15 11 6  o 94.058  1.5110 69.396   2.2280  72.946   3.3503  66.581   2.9832  96.393  2.2171 92.100  2.0662 4.292274       3.030623 
1 1 1 15 11 7  o 162.532 1.4947 207.214  3.8084  208.094  5.3881  206.336  5.3837  162.817 2.1110 162.127 2.1182 0.6900635      2.990487 
1 1 1 15 11 8  o 64.518  1.7103 32.659   1.7298  29.687   2.3120  36.439   2.6072  61.483  2.3987 68.114  2.4417 -6.631706      3.422823 
1 1 1 15 11 9  o 129.031 1.6482 130.622  3.3340  125.348  4.8756  135.253  4.5692  126.326 2.4619 131.248 2.2207 -4.921867      3.315521 
1 1 1 15 11 10 o 129.812 1.6285 132.209  3.3141  134.297  4.4780  129.680  4.9280  130.784 2.1841 128.489 2.4465 2.295105       3.279607 
1 1 1 15 11 11 o 39.600  2.5254 12.370   1.5596  11.079   2.0790  14.032   2.3584  37.337  3.5964 42.057  3.6121 -4.720394      5.097208 
1 1 1 15 11 12 o 98.795  1.6439 76.583   2.5460  77.445   3.4126  75.501   3.8234  99.310  2.1920 98.030  2.4879 1.279518       3.315808 
1 1 1 15 11 13 o 144.767 1.6602 164.448  3.7678  163.741  5.0111  165.366  5.7149  144.395 2.2138 145.070 2.5129 -0.6747894     3.348956 
1 1 1 15 11 14 o 131.351 1.5683 135.370  3.2294  133.521  4.4858  137.358  4.6531  130.389 2.1945 132.243 2.2445 -1.854050      3.139029 
1 1 1 15 11 15 o 140.306 1.5712 154.464  3.4559  149.772  4.7837  159.585  4.9982  138.089 2.2098 142.537 2.2368 -4.448349      3.144274 
1 1 1 15 11 16 o 27.637  3.1940 6.0929   1.3583  5.4586   1.9063  6.7471   1.9360  25.841  4.8847 28.894  4.4142 -3.052263      6.583768 
1 1 1 15 11 17 o 162.717 1.8437 207.856  4.7029  207.139  6.6719  208.564  6.6302  162.307 2.6222 162.869 2.5968 -0.5619659     3.690391 
1 1 1 15 11 18 o 48.685  2.3443 18.627   1.7892  18.488   2.5344  18.765   2.5262  48.320  3.3668 48.688  3.3297 -0.3676910     4.735201 
1 1 1 15 11 19 o 88.079  1.8224 60.910   2.5163  59.319   3.5038  62.604   3.6162  86.849  2.5734 89.220  2.5855 -2.371269      3.647901 
1 1 1 15 11 20 o 131.156 1.6765 135.033  3.4469  135.525  5.1976  134.647  4.6054  131.271 2.5257 130.892 2.2444 0.3797150      3.378812 
1 1 1 15 11 21 o 60.136  1.9588 28.406   1.8466  34.065   2.9112  24.597   2.3887  65.779  2.8231 55.904  2.7256 9.875225       3.924120 
1 1 1 15 11 22 o 82.435  1.6981 53.354   2.1944  53.171   3.3345  53.494   2.9146  82.202  2.5876 82.490  2.2538 -0.2880859     3.431483 
1 1 1 15 11 23 o 104.754 1.6541 86.157   2.7164  87.590   4.1946  85.122   3.5650  105.504 2.5361 104.059 2.1854 1.445107       3.347765 
1 1 1 15 11 24 o 52.287  2.0464 21.486   1.6774  22.367   2.6011  20.860   2.1947  53.161  3.1350 51.393  2.7339 1.768070       4.159655 
1 1 1 15 11 25 o 66.410  1.8252 34.647   1.9002  32.318   2.8827  36.436   2.5269  64.034  2.8717 68.051  2.3687 -4.017464      3.722558 
1 1 1 15 11 26 o 73.917  1.7508 42.919   2.0287  48.178   3.1681  39.263   2.6413  78.215  2.5838 70.633  2.3853 7.582123       3.516517 
1 1 1 15 11 27 o 80.429  1.6413 50.806   2.0695  47.325   2.9218  54.310   2.9316  77.537  2.4037 83.084  2.2508 -5.546959      3.293021 
1 1 1 15 11 28 o 96.130  1.6544 72.587   2.4931  79.657   3.8437  67.453   3.2756  100.578 2.4378 92.584  2.2569 7.994873       3.322059 
1 1 1 15 11 29 o 53.577  1.9757 22.571   1.6594  22.306   2.5292  22.772   2.1988  53.060  3.0536 53.752  2.6093 -0.6925888     4.016571 
1 1 1 15 11 30 o 29.608  2.9248 6.9869   1.3398  4.0743   1.8886  9.9378   1.9010  22.093  5.4796 35.260  3.4847 -13.16616      6.493779 
1 1 1 15 11 31 o 25.303  3.6567 5.1786   1.4084  4.7889   1.9076  5.6457   2.0882  23.986  5.2212 26.073  5.2899 -2.086142      7.432614 
1 1 1 15 11 32 o 76.422  1.5618 45.881   1.8711  45.230   2.5112  46.694   2.8054  75.806  2.1131 76.990  2.3244 -1.183907      3.141361 
1 1 1 15 11 33 o 37.374  2.2647 11.043   1.3206  12.274   1.7761  9.5206   1.9749  39.307  2.9029 34.430  3.7180 4.876099       4.717011 
1 1 1 15 11 34 o 57.902  1.7338 26.358   1.5738  25.601   1.9934  27.611   2.5644  57.008  2.2305 59.124  2.7667 -2.116211      3.553828 
1 1 1 15 11 35 o 23.395  3.3063 4.4219   1.1788  5.5166   1.5594  2.9620   1.8007  26.039  3.9434 18.972  5.6403 7.067656       6.882115 
1 1 1 15 11 36 o 32.306  2.6270 8.2952   1.3189  8.0777   1.8065  8.5435   1.9301  31.659  3.7102 32.535  3.8594 -0.8758450     5.353567 
1 1 1 15 11 37 o 64.964  1.6990 33.188   1.7303  32.724   2.3225  33.768   2.5941  64.420  2.2997 65.399  2.5302 -0.9791565     3.419163 
1 1 1 15 11 38 o 43.374  2.0809 14.821   1.4150  16.040   1.9392  13.434   2.0692  44.953  2.7652 41.023  3.2440 3.929829       4.262610 
1 1 1 15 11 39 o 47.877  1.9421 18.050   1.4577  18.466   1.9867  17.565   2.1453  48.263  2.6358 47.005  2.9259 1.258102       3.938006 
1 1 1 15 11 40 o 151.476 1.5619 180.406  3.7090  179.074  5.0155  182.013  5.5101  150.719 2.1227 151.869 2.3144 -1.150375      3.140424 
1 1 1 15 11 41 o 34.155  2.4959 9.2672   1.3271  9.9813   1.8253  8.4662   1.9331  35.275  3.3405 32.324  3.8931 2.950493       5.129831 
1 1 1 15 11 42 o 47.771  1.9441 17.981   1.4559  20.542   2.0336  15.288   2.0853  50.965  2.5453 43.779  3.0576 7.186054       3.978357 
1 1 1 15 11 43 o 54.886  1.7937 23.723   1.5433  21.910   2.0533  26.077   2.3397  52.633  2.4886 57.398  2.6002 -4.764851      3.599195 
1 1 1 15 11 44 o 45.141  2.1128 16.082   1.4952  15.972   2.1040  16.194   2.1252  44.732  3.0180 45.040  3.0274 -0.3084259     4.274767 
1 1 1 15 11 45 o 31.084  2.9462 7.7456   1.4186  8.0724   1.8905  7.3246   2.1460  31.480  3.9153 29.695  4.7715 1.784468       6.172248 
1 1 1 15 11 46 f 10.007  4.3428 -0.1308  1.2633  1.3235   1.7087  -1.8842  1.8762  14.495  5.4842 9.9428  4.6793 4.551872       7.209202 
1 1 1 15 11 47 o 9.8341  4.2763 -0.1445  1.2298  1.7373   1.6586  -2.4423  1.8328  15.365  5.4694 9.2294  4.4227 6.135573       7.033826 
1 1 1 15 11 48 f 40.723  2.3710 13.185   1.5071  14.617   2.1507  11.803   2.1126  42.631  3.2423 38.178  3.5713 4.453175       4.823535 
1 1 1 15 11 49 o 75.217  1.5486 44.568   1.8260  46.907   2.6091  42.324   2.5564  76.983  2.1619 73.102  2.2307 3.880531       3.106459 
1 1 1 15 11 50 o 33.491  2.7115 8.9922   1.4114  8.2088   1.9854  9.7925   2.0068  31.534  4.1142 34.618  3.7582 -3.084026      5.572353 
1 1 1 15 11 51 o 62.606  1.7890 30.959   1.7558  30.022   2.2627  32.378   2.7836  61.482  2.3476 63.678  2.7885 -2.195995      3.645113 
1 1 1 15 11 52 o 30.018  3.1007 7.3091   1.4381  6.0530   1.8660  9.1466   2.2568  26.740  4.6183 33.066  4.4682 -6.325638      6.426056 
1 1 1 15 11 53 o 77.772  1.7588 47.819   2.1443  46.053   2.8237  50.225   3.2957  76.059  2.3682 79.274  2.6519 -3.215752      3.555412 
1 1 1 15 11 54 o 18.657  4.6203 3.0103   1.3443  1.6897   1.8908  4.3599   1.9115  15.377  5.7800 22.182  5.5193 -6.805055      7.991915 
1 1 1 15 11 55 o 52.051  2.0794 21.534   1.6968  20.763   2.4797  22.214   2.3268  50.574  3.1432 52.482  2.8387 -1.907654      4.235292 
1 1 1 15 11 56 f 24.231  3.6187 4.9019   1.3325  5.1569   1.8428  4.6224   1.9290  24.244  5.0141 22.716  5.4800 1.527859       7.427803 
1 1 1 15 11 57 o 37.957  2.5480 11.614   1.5074  11.441   2.0493  11.818   2.2251  37.192  3.5583 37.657  3.8222 -0.4648705     5.222109 
1 1 1 15 11 58 o 10.541  4.4537 0.2472   1.2651  1.9394   1.6647  -2.0659  1.9463  15.414  5.4802 9.7469  4.6396 5.666773       7.180392 
1 1 1 15 11 59 o 50.243  2.2471 20.201   1.7699  21.216   2.1833  18.255   3.0228  51.175  2.7314 46.447  4.1967 4.727940       5.007274 
1 1 1 15 11 60 o 30.474  3.8105 7.8298   1.7806  9.4409   2.4088  5.8888   2.6439  32.854  4.8201 24.665  6.6752 8.189497       8.233535 
1 1 1 15 11 61 o 44.290  2.3544 15.798   1.6289  14.052   2.2611  17.682   2.3485  41.073  3.5463 46.312  3.2555 -5.238491      4.814029 
1 1 1 15 11 62 f 25.791  3.6505 5.6213   1.4347  4.7325   1.9142  6.7606   2.1673  22.674  5.4524 27.366  5.2428 -4.691977      7.564046 
1 1 1 15 11 63 o 13.610  4.7376 1.5252   1.2394  -0.2309  1.7796  3.1789   1.7270  11.251  5.0077 18.536  5.5264 -7.285387      7.457796 
1 1 1 15 11 64 f 34.562  2.5857 9.7285   1.3908  10.752   1.9593  8.6887   1.9747  35.777  3.5398 31.806  4.0525 3.970867       5.380772 
1 1 1 15 11 65 o 21.356  3.9521 3.9689   1.2744  4.1517   1.8199  3.7931   1.7850  20.993  5.4737 20.041  5.5102 0.9516258      7.766802 
1 1 1 15 11 66 o 25.111  3.7306 5.4255   1.4239  7.2039   1.8609  2.9131   2.2118  28.623  4.2784 17.539  6.3082 11.08395       7.622259 
1 1 1 15 11 67 o 25.820  3.9710 5.8332   1.5559  5.8112   2.1973  5.8553   2.2033  24.369  5.8299 24.466  5.8278 -0.9707832E-01 8.243209 
1 1 1 15 11 68 o 37.414  3.0520 11.737   1.7745  12.800   2.6126  10.826   2.4177  37.701  4.5099 34.590  4.5706 3.111782       6.420990 
1 1 1 15 12 0  o 8.4618  5.4439 0.0214   1.6573  0.0214   1.6573  0.0214   1.6573  8.4618  5.4439 8.4618  5.4439 -0.000000      0.000000 
1 1 1 15 12 1  o 148.384 1.4571 172.745  3.3894  173.033  4.8147  172.462  4.7723  148.437 2.0691 148.194 2.0542 0.2431793      2.915616 
1 1 1 15 12 2  o 185.964 1.5698 271.365  4.5764  276.395  6.5564  266.586  6.3909  187.575 2.2296 184.219 2.2129 3.355392       3.141413 
1 1 1 15 12 3  o 27.438  3.0145 5.9955   1.2753  5.6862   1.7871  6.3164   1.8203  26.463  4.4669 27.957  4.2904 -1.494768      6.193638 
1 1 1 15 12 4  o 144.660 1.4567 164.186  3.3035  161.765  4.6240  166.710  4.7214  143.522 2.0551 145.697 2.0671 -2.175385      2.914898 
1 1 1 15 12 5  o 14.878  4.7357 1.7191   1.2435  1.7843   1.8343  1.6637   1.6915  16.138  5.7511 15.551  5.5247 0.5865698      7.974748 
1 1 1 15 12 6  o 82.880  1.4666 53.895   1.9055  54.137   2.7008  53.656   2.6889  83.024  2.0751 82.654  2.0752 0.3701782      2.934685 
1 1 1 15 12 7  o 52.967  1.8089 22.024   1.5020  21.652   2.1287  22.393   2.1196  52.475  2.5877 53.368  2.5335 -0.8930359     3.621410 
1 1 1 15 12 8  o 84.569  1.4647 56.116   1.9418  53.066   2.6963  59.403   2.7988  82.194  2.0926 86.967  2.0529 -4.772530      2.931393 
1 1 1 15 12 9  o 70.917  1.5803 39.469   1.7568  40.416   2.5240  38.579   2.4469  71.718  2.2450 70.070  2.2275 1.647774       3.162553 
1 1 1 15 12 10 o 97.617  1.4890 74.775   2.2787  76.189   3.0979  73.108   3.3636  98.491  2.0064 96.456  2.2244 2.034576       2.995613 
1 1 1 15 12 11 o 85.375  1.4578 57.195   1.9511  55.967   2.7299  58.477   2.7896  84.407  2.0631 86.279  2.0624 -1.871742      2.917178 
1 1 1 15 12 12 o 68.887  1.5672 37.244   1.6924  37.253   2.3876  37.235   2.3993  68.850  2.2121 68.833  2.2235 0.1763153E-01  3.136453 
1 1 1 15 12 13 o 97.008  1.4960 73.854   2.2750  74.887   3.3884  73.007   3.0699  97.613  2.2143 96.400  2.0314 1.212608       3.004920 
1 1 1 15 12 14 o 41.064  2.1484 13.288   1.3782  13.420   1.9022  13.142   1.9997  41.170  2.9671 40.712  3.1580 0.4584541      4.333165 
1 1 1 15 12 15 o 105.266 1.4187 86.959   2.3412  87.021   3.3200  86.897   3.3021  105.241 2.0123 105.167 2.0029 0.7409668E-01  2.839185 
1 1 1 15 12 16 o 76.324  1.5106 45.725   1.8075  47.460   2.5731  44.035   2.5395  77.708  2.1122 74.846  2.1643 2.861336       3.024190 
1 1 1 15 12 17 o 56.628  1.7018 25.181   1.5107  24.811   2.1183  25.563   2.1551  56.160  2.4061 57.004  2.4116 -0.8440857     3.406661 
1 1 1 15 12 18 o 83.636  1.4796 54.907   1.9399  55.669   2.7602  54.165   2.7271  84.154  2.0922 83.009  2.0957 1.145004       2.961290 
1 1 1 15 12 19 o 64.602  1.7406 32.779   1.7628  31.331   2.2597  35.032   2.8175  63.112  2.2839 66.689  2.6950 -3.577358      3.532623 
1 1 1 15 12 20 o 16.146  4.8302 2.1010   1.3175  0.5698   1.6888  4.4827   2.1062  13.023  5.2897 23.195  5.8059 -10.17216      7.854214 
1 1 1 15 12 21 o 33.056  2.7637 8.6719   1.4190  9.0938   1.9177  8.1613   2.1096  33.699  3.6904 31.766  4.3506 1.932823       5.704990 
1 1 1 15 12 22 o 97.497  1.6312 74.659   2.4932  76.569   3.3750  72.363   3.6992  98.658  2.1822 95.863  2.4615 2.795059       3.289518 
1 1 1 15 12 23 o 67.026  1.7804 35.302   1.8708  36.887   2.5564  33.474   2.7451  68.447  2.3824 65.164  2.6872 3.283356       3.591182 
1 1 1 15 12 24 o 41.715  2.2933 13.740   1.4940  12.063   2.0004  15.854   2.2465  38.919  3.3101 44.670  3.2298 -5.750710      4.624775 
1 1 1 15 12 25 o 11.051  4.4646 0.4348   1.1961  0.5025   1.6267  0.3552   1.7647  12.668  5.1737 12.823  5.3277 -0.1547108     7.426456 
1 1 1 15 12 26 o 39.161  2.2365 12.113   1.3673  12.975   1.8819  11.149   1.9899  40.418  2.9914 37.367  3.4353 3.050072       4.555236 
1 1 1 15 12 27 o 76.025  1.6489 45.418   1.9651  44.681   2.5180  46.565   3.1430  75.343  2.1319 76.836  2.6093 -1.492485      3.369487 
1 1 1 15 12 28 o 54.025  1.8872 22.955   1.5983  25.334   2.2619  20.583   2.2588  56.676  2.5458 50.971  2.8381 5.705681       3.812582 
1 1 1 15 12 29 o 37.845  2.3994 11.335   1.4162  10.945   1.7960  11.977   2.3026  37.061  3.1203 38.623  3.8545 -1.561409      4.959183 
1 1 1 15 12 30 o 15.834  4.7372 2.0359   1.2673  1.1432   1.6207  3.4404   2.0330  14.008  5.3314 20.372  5.9764 -6.363838      8.008769 
1 1 1 15 12 31 o 30.314  3.0199 7.3430   1.4160  8.4355   1.7307  5.1307   2.4628  32.422  3.4585 24.604  6.3443 7.818365       7.225785 
1 1 1 15 12 32 f 38.624  2.3680 11.809   1.4269  11.248   1.8343  12.668   2.2706  37.549  3.1451 39.742  3.6864 -2.192768      4.845755 
1 1 1 15 12 33 o 22.522  3.7223 4.1407   1.2683  3.2594   1.6353  5.4713   2.0093  19.733  5.2095 25.599  5.1846 -5.866411      7.349776 
1 1 1 15 12 34 o 23.728  4.1506 4.6264   1.4877  2.9337   1.8657  7.5821   2.4653  18.898  5.7691 30.168  5.4115 -11.27065      7.909925 
1 1 1 15 12 35 o 10.443  4.4793 -0.0346  1.3137  -0.8192  1.7273  1.0418   2.0232  10.742  4.8448 14.773  5.8611 -4.031738      7.604185 
1 1 1 15 12 36 o 9.6808  4.2691 -0.3326  1.2644  -1.3929  1.6531  1.1623   1.9629  9.7112  4.5115 14.850  5.8097 -5.139296      7.355731 
1 1 1 15 12 37 o 102.298 1.7094 82.342   2.7413  80.024   3.6332  85.407   4.1770  100.691 2.3017 103.936 2.5636 -3.245064      3.445260 
1 1 1 15 12 38 o 83.465  1.8440 54.859   2.4128  55.444   3.1029  53.964   3.8372  83.784  2.3624 82.478  2.9677 1.306229       3.793190 
1 1 1 15 12 39 f 56.920  2.1016 25.555   1.8753  25.387   2.6997  25.712   2.6069  56.455  3.0619 56.853  2.9350 -0.3979530     4.241378 
1 1 1 15 12 40 o 81.130  1.9939 51.898   2.5359  59.349   3.5075  43.738   3.6707  86.585  2.5840 74.149  3.1578 12.43526       4.080300 
1 1 1 15 12 41 o 57.356  2.0096 25.949   1.8070  24.675   2.4612  27.440   2.6614  55.689  2.8285 58.784  2.8880 -3.095024      4.042366 
1 1 1 15 12 42 o 33.376  2.8480 8.9099   1.4759  8.0338   1.9875  9.9870   2.2036  31.324  4.1496 34.996  4.0940 -3.672293      5.829256 
1 1 1 15 12 43 o 11.048  4.6376 0.2152   1.3575  -0.3502  1.8276  0.9109   2.0274  11.696  5.1462 14.409  5.8156 -2.712833      7.765604 
1 1 1 15 12 44 o 53.798  2.1023 22.871   1.7730  23.097   2.4187  22.608   2.6068  53.800  2.8782 53.134  3.1435 0.6660652      4.262081 
1 1 1 15 12 45 o 27.082  4.0151 6.0457   1.6530  7.7361   2.5661  4.8466   2.1612  30.076  5.6498 23.639  5.8610 6.437523       8.140767 
1 1 1 15 12 46 o 27.828  4.2573 6.4263   1.7982  6.4756   2.5662  6.3787   2.5204  27.210  6.1594 27.027  6.0941 0.1828804      8.664670 
1 1 1 15 12 47 o 49.684  2.1993 19.558   1.7130  22.934   3.0304  17.972   2.0765  53.189  3.6565 47.390  2.8076 5.798801       4.610086 
1 1 1 15 12 48 o 70.963  1.9631 39.834   2.1839  44.579   3.6764  37.247   2.7148  74.539  3.1462 68.413  2.5313 6.126205       4.038033 
1 1 1 15 12 49 o 37.372  2.7299 11.212   1.5883  12.643   2.4476  10.170   2.0875  39.171  4.0441 35.176  3.8482 3.994465       5.582417 
1 1 1 15 12 50 o 30.631  2.8262 7.5745   1.3418  7.0292   1.8181  8.2268   1.9885  29.037  4.1089 31.439  4.1350 -2.401968      5.829304 
1 1 1 15 12 51 o 26.292  3.2132 5.6573   1.2968  5.4824   1.7859  5.8523   1.8862  25.313  4.6725 26.124  4.7820 -0.8104534     6.685806 
1 1 1 15 12 52 o 20.676  3.8103 3.6008   1.1896  4.4958   1.6676  2.6736   1.6974  22.758  4.8238 17.564  5.5265 5.194025       7.335616 
1 1 1 15 12 53 o 41.835  2.1069 13.959   1.3774  13.786   1.9574  14.130   1.9385  41.185  3.0534 41.733  2.9827 -0.5472145     4.268453 
1 1 1 15 12 54 o 59.981  1.7284 28.507   1.6252  29.135   2.3078  27.890   2.2890  60.315  2.4408 58.994  2.4751 1.320770       3.476099 
1 1 1 15 12 55 o 10.058  4.2977 0.1207   1.2010  -1.0747  1.6832  1.3607   1.7143  9.9276  4.5911 14.135  5.4572 -4.207897      7.131596 
1 1 1 15 12 56 o 37.293  2.3885 11.198   1.3891  10.340   1.9274  12.126   2.0037  35.281  3.5322 38.323  3.3694 -3.042267      4.881559 
1 1 1 15 12 57 o 30.192  2.8334 7.4488   1.3254  7.6976   1.8827  7.2043   1.8662  30.055  4.1030 28.991  4.2307 1.063705       5.893561 
1 1 1 15 12 58 o 19.922  4.1536 3.4526   1.2552  3.4038   1.7670  3.5022   1.7833  19.232  5.5518 19.494  5.5620 -0.2624779     7.858643 
1 1 1 15 12 59 o 28.476  3.0467 6.6933   1.3390  6.8344   1.9373  6.5643   1.8527  27.941  4.5818 27.447  4.4588 0.4938622      6.393209 
1 1 1 15 12 60 o 42.787  2.2159 14.722   1.4812  16.739   2.1921  13.028   2.0094  45.082  3.1209 39.661  3.2607 5.420456       4.513561 
1 1 1 15 12 61 o 24.318  3.6114 5.0190   1.3350  5.3967   1.9193  4.6650   1.8580  24.318  5.1925 22.472  5.3510 1.845785       7.456181 
1 1 1 15 12 62 o 12.152  4.8278 0.9025   1.3744  2.4891   1.8301  -1.1500  2.0816  16.609  5.7584 10.922  5.0703 5.686557       7.672434 
1 1 1 15 12 63 o 16.806  4.8775 2.5823   1.3606  0.6371   2.0346  4.1560   1.8300  13.100  5.5956 20.952  5.5013 -7.851453      7.846977 
1 1 1 15 12 64 o 16.181  5.0156 2.4109   1.4040  0.0487   2.0801  4.3875   1.9028  12.259  5.4373 21.354  5.6109 -9.094845      7.813173 
1 1 1 15 12 65 o 11.801  4.6346 0.9373   1.2531  2.4560   1.7978  -0.4980  1.7477  16.208  5.7023 10.570  4.8093 5.638688       7.459572 
1 1 1 15 12 66 f 14.007  5.1873 1.6886   1.5119  1.0489   2.1511  2.3132   2.1253  13.651  5.7899 15.884  6.0908 -2.232181      8.403622 
1 1 1 15 13 0  o 41.138  3.0528 13.514   1.9438  13.514   1.9438  13.514   1.9438  41.138  3.0528 41.138  3.0528 0.000000       0.000000 
1 1 1 15 13 1  o 68.481  1.5800 36.816   1.6962  36.665   2.3792  36.972   2.4189  68.289  2.2224 68.571  2.2502 -0.2821045     3.162689 
1 1 1 15 13 2  f 47.496  1.9245 17.724   1.4329  18.591   2.0110  16.829   2.0423  48.523  2.6538 46.134  2.8376 2.389336       3.885195 
1 1 1 15 13 3  o 151.009 1.4639 178.983  3.4654  180.499  4.9183  177.489  4.8835  151.545 2.0702 150.275 2.0730 1.269775       2.929693 
1 1 1 15 13 4  o 96.655  1.5437 73.337   2.3391  75.372   3.3491  71.399   3.2683  97.913  2.1819 95.296  2.1878 2.616776       3.089801 
1 1 1 15 13 5  o 44.637  2.0074 15.658   1.4047  16.265   1.9494  15.002   2.0259  45.360  2.7544 43.524  2.9872 1.836430       4.063317 
1 1 1 15 13 6  o 47.944  1.8640 18.058   1.4009  20.422   2.0152  15.847   1.9489  50.938  2.5236 44.765  2.7911 6.172401       3.762815 
1 1 1 15 13 7  o 13.752  4.6114 1.4140   1.1718  1.6415   1.6516  1.1833   1.6629  15.368  5.4592 14.283  5.4088 1.085102       7.684898 
1 1 1 15 13 8  o 66.437  1.6552 34.660   1.7239  38.957   2.6207  31.382   2.2889  70.366  2.3757 63.162  2.3116 7.204308       3.314766 
1 1 1 15 13 9  o 40.933  2.1785 13.213   1.3929  12.998   1.8873  13.470   2.0643  40.489  2.9946 41.186  3.2229 -0.6965714     4.399458 
1 1 1 15 13 10 o 56.685  1.6934 25.237   1.5048  24.679   2.1222  25.801   2.1341  55.998  2.4175 57.260  2.3775 -1.262684      3.390654 
1 1 1 15 13 11 o 63.197  1.6790 31.367   1.6634  30.501   2.2362  32.440   2.4889  62.265  2.2910 64.193  2.4732 -1.928898      3.371299 
1 1 1 15 13 12 o 83.175  1.5433 54.320   2.0123  51.338   2.8901  57.125   2.8036  80.777  2.2823 85.233  2.0982 -4.455933      3.100243 
1 1 1 15 13 13 o 103.069 1.4259 83.393   2.3039  82.154   3.2564  84.635   3.2601  102.221 2.0321 103.757 2.0043 -1.536346      2.854194 
1 1 1 15 13 14 o 36.032  2.2950 10.258   1.2896  10.874   1.8202  9.6376   1.8275  36.973  3.1710 34.751  3.3980 2.221836       4.647725 
1 1 1 15 13 15 o 50.022  1.8077 19.663   1.4175  18.542   1.9763  20.852   2.0344  48.438  2.6123 51.450  2.5223 -3.011715      3.631242 
1 1 1 15 13 16 o 107.060 1.4292 89.988   2.3986  89.039   3.3663  90.968   3.4186  106.407 2.0180 107.552 2.0276 -1.144753      2.860705 
1 1 1 15 13 17 o 74.467  1.5253 43.549   1.7807  46.735   2.5781  40.644   2.4623  77.072  2.1338 71.867  2.1856 5.204330       3.054469 
1 1 1 15 13 18 o 24.593  3.0662 4.8507   1.1565  4.8485   1.6254  4.8530   1.6457  24.309  4.4285 24.309  4.4838 -0.4234314E-03 6.302050 
1 1 1 15 13 19 o 93.935  1.4281 69.287   2.1030  69.858   2.9784  68.719   2.9698  94.238  2.0161 93.465  2.0268 0.7731247      2.858780 
1 1 1 15 13 20 o 72.385  1.5456 41.158   1.7539  38.276   2.4412  44.232   2.5215  69.724  2.2334 74.966  2.1456 -5.241821      3.097032 
1 1 1 15 13 21 f 49.612  1.8438 19.354   1.4340  17.014   2.0020  21.818   2.0550  46.345  2.7682 52.608  2.4918 -6.262947      3.724536 
1 1 1 15 13 22 o 56.238  1.7943 24.867   1.5819  22.436   2.1062  28.012   2.3959  53.339  2.5188 59.594  2.5646 -6.254707      3.594619 
1 1 1 15 13 23 o 57.849  1.7527 26.311   1.5895  27.276   2.1751  25.204   2.3285  58.829  2.3584 56.513  2.6283 2.316444       3.531308 
1 1 1 15 13 24 o 54.588  1.8086 23.435   1.5477  22.631   2.0549  24.488   2.3527  53.570  2.4469 55.689  2.6949 -2.119534      3.640048 
1 1 1 15 13 25 o 34.194  2.4519 9.2693   1.3056  8.4725   1.7740  10.211   1.9286  32.479  3.5414 35.702  3.4906 -3.222397      4.972544 
1 1 1 15 13 26 o 31.507  2.5963 7.8897   1.2709  7.6852   1.7488  8.1185   1.8502  30.877  3.6857 31.721  3.7960 -0.8441658     5.290988 
1 1 1 15 13 27 o 72.896  1.6653 41.780   1.9031  42.701   2.4827  40.470   2.9632  73.618  2.1513 71.576  2.6409 2.042374       3.406188 
1 1 1 15 13 28 o 22.456  3.7137 4.1164   1.2616  4.0168   1.7693  4.2195   1.7996  21.873  5.2304 22.423  5.2175 -0.5499668     7.387824 
1 1 1 15 13 29 o 45.346  2.0940 16.202   1.4885  15.410   1.8669  17.583   2.4664  44.065  2.7157 46.929  3.3750 -2.863976      4.331969 
1 1 1 15 13 30 o 38.036  3.0733 11.543   1.8169  9.1870   2.4634  14.353   2.6904  33.444  4.8393 42.167  4.1228 -8.722794      6.357383 
1 1 1 15 13 31 o 37.978  3.3532 11.551   1.9759  10.467   2.5188  13.287   3.1862  35.800  4.5940 40.201  5.1760 -4.401154      6.920707 
1 1 1 15 13 32 o 50.150  2.5588 19.932   2.0050  19.902   2.8610  19.961   2.8106  49.821  3.6894 49.916  3.6162 -0.9529114E-01 5.166101 
1 1 1 15 13 33 o 65.541  2.2687 33.904   2.3310  36.216   3.3408  31.711   3.2539  67.522  3.1561 63.062  3.3029 4.460583       4.568426 
1 1 1 15 13 34 f 16.441  5.3120 2.1580   1.5602  -0.0530  2.0141  5.4753   2.4670  12.811  5.5214 25.273  6.2594 -12.46149      8.346663 
1 1 1 15 13 35 o 12.732  5.1207 0.6724   1.5659  0.6348   2.5462  0.6952   1.9858  15.320  6.3853 13.975  5.7129 1.344820       8.567869 
1 1 1 15 13 36 o 61.699  2.0651 30.030   1.9975  26.423   2.7548  34.028   2.9005  57.578  3.0630 65.498  2.8248 -7.919292      4.166709 
1 1 1 15 13 37 o 41.557  2.7117 13.748   1.7569  11.364   2.5666  15.851   2.4101  37.252  4.4850 44.419  3.4892 -7.167709      5.682423 
1 1 1 15 13 38 f 79.265  2.0161 49.576   2.5053  47.068   3.2751  53.112   3.8896  77.029  2.7122 81.702  3.0368 -4.673050      4.071651 
1 1 1 15 13 39 o 19.097  4.9710 3.0881   1.5026  5.0332   2.1483  1.2251   2.1025  24.211  5.7465 15.187  5.9908 9.023441       8.301311 
1 1 1 15 13 40 o 106.658 1.7107 89.639   2.8603  86.263   3.8083  94.008   4.3322  104.396 2.3270 108.882 2.5380 -4.485504      3.443331 
1 1 1 15 13 41 o 32.878  2.9100 8.6733   1.4844  8.6846   1.9606  8.6581   2.2722  32.601  3.9144 32.300  4.6188 0.3009834      6.054468 
1 1 1 15 13 42 o 15.100  4.8325 1.8490   1.2935  0.4467   1.6414  4.1475   2.1013  12.408  5.1453 21.855  5.9660 -9.447752      7.878317 
1 1 1 15 13 43 o 33.232  2.7055 8.8472   1.3973  8.4313   1.8640  9.3806   2.1110  32.111  3.7749 33.784  4.0676 -1.673450      5.549342 
1 1 1 15 13 44 o 26.696  3.2473 5.7976   1.3310  6.0140   1.8016  5.5375   1.9750  26.795  4.4447 25.434  5.1303 1.360441       6.787877 
1 1 1 15 13 45 o 46.470  2.0201 17.094   1.4716  17.021   2.0817  17.167   2.0806  46.048  2.8986 46.251  2.8839 -0.2032433     4.088875 
1 1 1 15 13 46 o 24.520  3.4986 4.9488   1.3067  6.2810   1.9057  3.7666   1.7952  27.247  4.6269 20.760  5.4476 6.487015       7.147387 
1 1 1 15 13 47 o 11.467  4.6341 0.5708   1.2890  0.9952   1.6610  -0.0718  2.0437  13.447  5.3184 12.600  5.4953 0.8473129      7.647438 
1 1 1 15 13 48 o 61.612  1.8805 30.065   1.8163  31.104   2.5529  29.000   2.5847  62.370  2.6110 60.163  2.7405 2.206379       3.785204 
1 1 1 15 13 49 o 23.419  3.6679 4.5737   1.3024  5.1826   1.7652  3.8462   1.9294  24.502  4.7671 20.738  5.7398 3.764172       7.461265 
1 1 1 15 13 50 o 32.294  2.7658 8.4429   1.3867  9.7713   1.9622  7.1174   1.9600  34.347  3.7027 28.901  4.4703 5.445879       5.804627 
1 1 1 15 13 51 o 12.398  4.7098 1.0204   1.2634  0.9410   1.6896  1.1211   1.9027  13.238  5.3211 14.076  5.6506 -0.8378572     7.761658 
1 1 1 15 13 52 o 29.296  3.1248 7.0504   1.4130  5.9218   1.9038  8.4344   2.1083  26.008  4.8477 31.412  4.4023 -5.403616      6.548332 
1 1 1 15 13 53 o 38.993  2.4615 12.258   1.4970  11.078   2.0261  13.676   2.2214  36.498  3.5874 40.622  3.5232 -4.123745      5.028142 
1 1 1 15 13 54 o 15.938  4.8478 2.2349   1.3192  1.9236   1.9140  2.5166   1.8206  15.598  5.8247 16.913  5.7476 -1.314496      8.182995 
1 1 1 15 13 55 o 14.136  4.8112 1.6710   1.2757  -0.2444  1.8865  3.2852   1.7318  11.591  5.1577 18.915  5.5064 -7.324209      7.544701 
1 1 1 15 13 56 o 13.958  4.8857 1.6030   1.3189  3.1263   2.0153  0.4618   1.7444  18.374  6.0436 12.281  5.2115 6.093390       7.980309 
1 1 1 15 13 57 o 22.260  4.0672 4.2936   1.3670  5.1649   2.0311  3.5720   1.8483  23.570  5.5828 19.540  5.6888 4.030071       7.970600 
1 1 1 15 13 58 f 10.144  4.4372 -0.0390  1.3413  0.7391   2.0128  -0.6606  1.7990  13.337  5.6254 10.699  4.8724 2.637823       7.442153 
1 1 1 15 13 59 o 34.322  2.7625 9.6505   1.4738  11.728   2.2687  8.1337   1.9385  37.047  3.9682 30.688  4.1347 6.358824       5.730761 
1 1 1 15 13 60 o 30.510  2.9279 7.6939   1.3832  9.1778   2.0178  6.3785   1.8998  32.634  4.0297 26.702  4.7107 5.931736       6.199140 
1 1 1 15 13 61 o 11.250  4.6680 0.5535   1.3522  0.8640   1.8102  0.1616   2.0338  12.964  5.3920 12.341  5.4293 0.6233664      7.651872 
1 1 1 15 13 62 o 24.339  3.5696 5.0839   1.3215  3.6779   1.8790  6.4602   1.8590  19.407  5.7598 26.789  4.5919 -7.382195      7.366175 
1 1 1 15 13 63 o 18.940  4.5256 3.2956   1.3254  2.8398   1.8824  3.7437   1.8665  17.102  5.8441 19.455  5.7319 -2.352715      8.185883 
1 1 1 15 13 64 o 12.222  4.8346 1.0521   1.3728  -0.1645  1.9516  2.2438   1.9315  11.445  5.1570 15.572  5.8440 -4.126956      7.794058 
1 1 1 15 14 0  o 45.252  2.8459 16.284   2.0006  16.284   2.0006  16.284   2.0006  45.252  2.8459 45.252  2.8459 0.000000       0.000000 
1 1 1 15 14 1  f 230.848 1.7588 418.794  6.3651  428.829  9.1608  409.427  8.8506  233.288 2.5049 227.963 2.4766 5.325119       3.522483 
1 1 1 15 14 2  o 68.906  1.5846 37.295   1.7117  36.725   2.4263  37.860   2.4151  68.303  2.2660 69.355  2.2213 -1.052658      3.173172 
1 1 1 15 14 3  o 59.598  1.7789 27.915   1.6620  22.651   2.1775  35.262   2.5724  53.605  2.5911 66.903  2.4527 -13.29748      3.567871 
1 1 1 15 14 4  o 74.331  1.5434 43.395   1.7985  41.807   2.5112  45.068   2.5769  72.883  2.1979 75.676  2.1722 -2.792648      3.090167 
1 1 1 15 14 5  o 113.516 1.4215 101.177  2.5297  99.489   3.5437  102.932  3.6124  112.468 2.0099 114.396 2.0143 -1.928185      2.845556 
1 1 1 15 14 6  o 46.552  1.9290 17.041   1.4078  18.924   2.0042  15.207   1.9778  48.922  2.6229 43.795  2.8971 5.126797       3.908009 
1 1 1 15 14 7  o 48.064  1.8711 18.163   1.4098  20.280   2.0369  16.216   1.9533  50.656  2.5734 45.251  2.7669 5.405037       3.778654 
1 1 1 15 14 8  f 108.972 1.5676 93.281   2.6780  93.673   3.8007  92.894   3.7739  109.082 2.2226 108.629 2.2161 0.4534912      3.138642 
1 1 1 15 14 9  o 111.524 1.4300 97.668   2.5000  100.882  3.5914  94.647   3.4823  113.240 2.0231 109.685 2.0252 3.555359       2.862535 
1 1 1 15 14 10 o 153.097 1.4890 184.089  3.5737  183.759  5.0564  184.417  5.0515  152.805 2.1108 153.080 2.1050 -0.2750854     2.981047 
1 1 1 15 14 11 o 70.520  1.7324 39.089   1.9152  36.501   2.6512  41.913   2.7696  68.047  2.4853 72.927  2.4226 -4.880478      3.470720 
1 1 1 15 14 12 o 17.992  4.2503 2.6817   1.1797  2.1381   1.6670  3.2271   1.6697  16.628  5.4980 19.696  5.2939 -3.067543      7.632398 
1 1 1 15 14 13 o 65.911  1.5954 34.134   1.6484  34.940   2.3353  33.334   2.3271  66.606  2.2365 65.051  2.2820 1.554794       3.195237 
1 1 1 15 14 14 o 81.807  1.4850 52.570   1.9045  54.934   2.7276  50.322   2.6605  83.540  2.0827 79.950  2.1227 3.590134       2.973829 
1 1 1 15 14 15 o 98.343  1.4368 75.963   2.2151  70.615   3.0356  82.055   3.2398  94.719  2.0443 102.108 2.0240 -7.388969      2.876742 
1 1 1 15 14 16 o 51.004  1.7994 20.458   1.4388  20.630   2.0085  20.277   2.0620  51.139  2.5053 50.621  2.6073 0.5186462      3.615903 
1 1 1 15 14 17 o 119.039 1.4370 111.309  2.6817  110.805  3.7868  111.816  3.7981  118.641 2.0360 119.182 2.0329 -0.5411758     2.877123 
1 1 1 15 14 18 o 97.142  1.4515 74.132   2.2105  71.202   3.0850  77.224   3.1689  95.093  2.0694 99.039  2.0410 -3.945923      2.906608 
1 1 1 15 14 19 o 55.262  1.7052 24.014   1.4772  24.422   2.0984  23.612   2.0800  55.644  2.4055 54.710  2.4252 0.9330826      3.415841 
1 1 1 15 14 20 o 36.512  2.2399 10.547   1.2759  9.9344   1.8188  11.140   1.7903  35.232  3.3327 37.378  3.0829 -2.146450      4.539902 
1 1 1 15 14 21 o 60.098  1.6419 28.397   1.5469  28.763   2.2048  28.043   2.1709  60.390  2.3289 59.630  2.3223 0.7598686      3.288853 
1 1 1 15 14 22 o 104.632 1.5581 86.057   2.5557  85.203   3.5782  86.947   3.6516  103.966 2.1954 105.019 2.2180 -1.052391      3.120822 
1 1 1 15 14 23 o 21.767  3.7962 3.8821   1.2483  4.8747   1.7623  2.8827   1.7684  24.205  4.8136 18.692  5.5969 5.513380       7.382117 
1 1 1 15 14 24 o 80.489  1.6891 50.959   2.1313  52.867   2.8819  48.657   3.1663  81.872  2.2454 78.468  2.5740 3.404236       3.415732 
1 1 1 15 14 25 o 27.061  3.6838 5.9395   1.5221  4.5728   1.9806  7.9113   2.3790  23.266  5.5144 30.902  5.0880 -7.635885      7.503082 
1 1 1 15 14 26 o 47.167  2.3849 17.611   1.7577  17.464   2.3711  17.789   2.6189  46.773  3.2540 47.122  3.5718 -0.3489456     4.831750 
1 1 1 15 14 27 o 53.041  2.0436 22.175   1.6993  20.369   2.2174  24.744   2.6451  50.637  2.8042 55.764  3.0371 -5.127140      4.133751 
1 1 1 15 14 28 o 92.929  1.9739 68.051   2.8757  76.255   4.5023  62.398   3.7374  98.060  2.9288 88.786  2.6852 9.273827       3.973380 
1 1 1 15 14 29 o 15.194  5.4621 1.6325   1.6581  2.8275   2.3424  0.4326   2.3473  19.025  6.5192 14.513  6.0956 4.512570       8.925030 
1 1 1 15 14 30 o 43.970  2.6880 15.368   1.8439  16.095   2.8512  14.845   2.4175  44.592  4.1253 42.968  3.6227 1.623909       5.490203 
1 1 1 15 14 31 o 67.641  2.0126 36.080   2.1342  34.046   2.9636  38.272   3.0759  65.499  2.8862 69.462  2.8247 -3.963737      4.038445 
1 1 1 15 14 32 o 53.417  2.2010 22.533   1.8431  24.890   2.6769  20.408   2.5414  55.865  3.0683 50.523  3.2255 5.341785       4.451822 
1 1 1 15 14 33 o 43.276  2.4129 14.862   1.6305  14.450   2.1810  15.384   2.4549  42.443  3.3040 43.705  3.6155 -1.261501      4.897743 
1 1 1 15 14 34 o 38.872  2.4216 12.005   1.4684  13.948   2.1377  10.270   2.0204  41.682  3.2984 35.622  3.6706 6.060699       4.934864 
1 1 1 15 14 35 o 51.001  2.2552 20.569   1.8031  18.797   2.4811  22.553   2.6250  48.410  3.2888 53.088  3.1686 -4.677990      4.566848 
1 1 1 15 14 36 f 49.866  2.0856 19.646   1.6304  20.191   2.3311  19.124   2.2812  50.267  2.9714 48.909  2.9895 1.357170       4.215030 
1 1 1 15 14 37 o 51.692  2.0286 21.109   1.6439  20.674   2.2965  21.567   2.3541  50.873  2.8915 51.961  2.9016 -1.088055      4.096342 
1 1 1 15 14 38 o 21.741  4.1227 3.9464   1.3537  8.1388   2.0115  0.4758   1.8302  31.427  4.1872 13.022  5.4194 18.40474       6.848507 
1 1 1 15 14 39 o 36.816  2.8275 10.865   1.6194  12.720   2.2243  8.7721   2.3623  39.583  3.6248 32.373  4.8002 7.210335       6.015038 
1 1 1 15 14 40 o 80.021  1.8569 50.580   2.3294  49.791   3.1036  51.599   3.5251  79.147  2.5013 80.432  2.7957 -1.285118      3.751335 
1 1 1 15 14 41 o 30.697  3.3332 7.6623   1.5783  6.2023   2.1338  9.4258   2.3451  26.873  5.2534 33.593  4.5718 -6.720304      6.964167 
1 1 1 15 14 42 o 9.4127  4.2971 -0.8003  1.4100  -1.1549  1.9098  -0.3753  2.0905  10.775  4.9494 12.353  5.4662 -1.577876      7.373991 
1 1 1 15 14 43 o 15.920  5.1061 2.1100   1.4435  2.6677   1.9467  1.4287   2.1515  17.832  5.9434 15.416  6.0669 2.415606       8.493009 
1 1 1 15 14 44 o 27.883  3.2387 6.3515   1.3893  11.809   2.1894  2.6721   1.7976  37.911  3.7322 17.694  5.7005 20.21746       6.813577 
1 1 1 15 14 45 o 41.335  2.3167 13.651   1.4951  11.527   2.1864  15.516   2.0491  37.382  3.7831 43.803  3.0022 -6.421726      4.829606 
1 1 1 15 14 46 o 29.313  2.8007 6.9633   1.2713  5.9643   1.7847  7.9925   1.8115  26.453  4.4625 31.017  3.8053 -4.564631      5.864657 
1 1 1 15 14 47 o 7.7653  3.6887 -1.3818  1.2178  -0.5912  1.7624  -2.1041  1.6846  10.880  4.9018 8.8566  4.2431 2.023703       6.483130 
1 1 1 15 14 48 o 50.514  1.9225 20.274   1.5224  21.867   2.1676  18.722   2.1388  52.078  2.6639 48.081  2.8502 3.997051       3.901344 
1 1 1 15 14 49 o 18.983  4.2982 3.1331   1.2494  4.2549   1.7546  1.9794   1.7794  21.783  5.2085 15.652  5.6543 6.131128       7.687641 
1 1 1 15 14 50 o 22.784  3.7684 4.4008   1.2989  5.6641   1.8305  3.1194   1.8436  25.393  4.7736 18.521  5.7484 6.871233       7.472036 
1 1 1 15 14 51 o 30.662  2.8645 7.6916   1.3610  7.5984   1.9240  7.7850   1.9253  29.761  4.2442 30.165  4.1841 -0.4036751     5.959877 
1 1 1 15 14 52 o 14.859  4.8010 1.9107   1.2744  2.2932   1.7691  1.4980   1.8374  16.253  5.6600 14.504  5.6357 1.748962       7.987346 
1 1 1 15 14 53 o 26.330  3.3556 5.7998   1.3536  6.3330   1.9163  5.2687   1.9124  26.750  4.7432 24.062  5.2200 2.688522       7.053120 
1 1 1 15 14 54 o 18.997  4.4471 3.2087   1.3010  4.8799   1.8844  1.6866   1.7984  23.025  5.3266 14.771  5.6173 8.253954       7.741195 
1 1 1 15 14 55 o 22.490  3.9214 4.3669   1.3323  4.0544   1.8573  4.6983   1.9122  20.775  5.5831 22.447  5.4814 -1.672482      7.824053 
1 1 1 15 14 56 o 24.379  3.7627 5.0902   1.3917  7.2210   1.9937  3.0652   1.9436  28.567  4.6088 18.057  5.9348 10.50989       7.514181 
1 1 1 15 14 57 o 21.016  4.2350 3.9008   1.3470  4.2185   1.9290  3.5985   1.8819  21.017  5.7073 19.405  5.7653 1.612749       8.112415 
1 1 1 15 14 58 o 10.065  4.3867 0.0351   1.3004  -0.1120  1.8097  0.1922   1.8698  11.379  5.0580 11.991  5.2422 -0.6119356     7.284529 
1 1 1 15 14 59 f 14.671  4.9945 1.9110   1.3748  1.5854   1.8294  2.3336   2.0839  14.346  5.6097 16.175  6.0703 -1.828761      8.265395 
1 1 1 15 14 60 o 13.121  5.0593 1.3098   1.4720  0.5526   2.0213  2.1647   2.1478  12.756  5.5144 15.764  6.1021 -3.007887      8.224578 
1 1 1 15 14 61 o 16.412  5.1522 2.5638   1.4762  2.2247   1.9075  3.0702   2.3310  15.584  5.8157 17.496  6.4484 -1.911706      8.683566 
1 1 1 15 14 62 o 12.216  5.0751 0.8606   1.6009  0.5752   2.2848  1.1358   2.2439  13.071  5.7525 13.806  5.8862 -0.7351170     8.230371 
1 1 1 15 15 0  o 72.430  3.1909 41.450   3.6071  41.450   3.6071  41.450   3.6071  72.430  3.1909 72.430  3.1909 -0.000000      0.000000 
1 1 1 15 15 1  o 83.748  2.1197 55.189   2.7789  55.189   2.7789  55.189   2.7789  83.748  2.1197 83.748  2.1197 0.000000       0.000000 
1 1 1 15 15 2  o 57.083  2.4488 25.748   2.1822  25.748   2.1822  25.748   2.1822  57.083  2.4488 57.083  2.4488 0.000000       0.000000 
1 1 1 15 15 3  o 92.443  2.0950 67.216   3.0326  67.216   3.0326  67.216   3.0326  92.443  2.0950 92.443  2.0950 0.000000       0.000000 
1 1 1 15 15 4  o 69.487  2.2490 38.050   2.4441  38.050   2.4441  38.050   2.4441  69.487  2.2490 69.487  2.2490 0.000000       0.000000 
1 1 1 15 15 5  o 96.491  2.0866 73.223   3.1529  73.223   3.1529  73.223   3.1529  96.491  2.0866 96.491  2.0866 -0.000000      0.000000 
1 1 1 15 15 6  o 48.912  2.6782 18.980   2.0395  18.980   2.0395  18.980   2.0395  48.912  2.6782 48.912  2.6782 0.000000       0.000000 
1 1 1 15 15 7  o 63.070  2.3330 31.384   2.2995  31.384   2.2995  31.384   2.2995  63.070  2.3330 63.070  2.3330 0.000000       0.000000 
1 1 1 15 15 8  o 115.279 2.0480 104.465  3.6984  104.465  3.6984  104.465  3.6984  115.279 2.0480 115.279 2.0480 -0.000000      0.000000 
1 1 1 15 15 9  o 67.500  2.2755 35.920   2.4017  35.920   2.4017  35.920   2.4017  67.500  2.2755 67.500  2.2755 0.000000       0.000000 
1 1 1 15 15 10 o 92.593  2.0941 67.444   3.0362  67.444   3.0362  67.444   3.0362  92.593  2.0941 92.593  2.0941 0.000000       0.000000 
1 1 1 15 15 11 o 39.080  3.2023 12.267   1.9316  12.267   1.9316  12.267   1.9316  39.080  3.2023 39.080  3.2023 0.000000       0.000000 
1 1 1 15 15 12 o 9.8319  5.9120 0.7870   1.6467  0.7870   1.6467  0.7870   1.6467  9.8319  5.9120 9.8319  5.9120 0.000000       0.000000 
1 1 1 15 15 13 o 37.917  3.8707 11.697   2.2458  11.697   2.2458  11.697   2.2458  37.917  3.8707 37.917  3.8707 0.000000       0.000000 
1 1 1 15 15 14 o 115.351 2.4818 104.762  4.4832  104.762  4.4832  104.762  4.4832  115.351 2.4818 115.351 2.4818 0.000000       0.000000 
1 1 1 15 15 15 o 30.565  4.8847 7.9384   2.1614  7.9384   2.1614  7.9384   2.1614  30.565  4.8847 30.565  4.8847 0.000000       0.000000 
1 1 1 15 15 16 o 12.335  6.8464 1.6867   1.9511  1.6867   1.9511  1.6867   1.9511  12.335  6.8464 12.335  6.8464 0.000000       0.000000 
1 1 1 15 15 17 o 109.260 2.5426 94.046   4.3498  94.046   4.3498  94.046   4.3498  109.260 2.5426 109.260 2.5426 0.000000       0.000000 
1 1 1 15 15 18 o 7.6724  5.2097 -0.9791  1.8891  -0.9791  1.8891  -0.9791  1.8891  7.6724  5.2097 7.6724  5.2097 0.000000       0.000000 
1 1 1 15 15 19 o 122.064 2.5714 117.375  4.9156  117.375  4.9156  117.375  4.9156  122.064 2.5714 122.064 2.5714 0.000000       0.000000 
1 1 1 15 15 20 o 60.889  2.5815 29.327   2.4541  29.327   2.4541  29.327   2.4541  60.889  2.5815 60.889  2.5815 0.000000       0.000000 
1 1 1 15 15 21 o 26.600  5.0926 6.1858   1.8982  6.1858   1.8982  6.1858   1.8982  26.600  5.0926 26.600  5.0926 0.000000       0.000000 
1 1 1 15 15 22 o 42.924  3.3160 14.791   2.2007  14.791   2.2007  14.791   2.2007  42.924  3.3160 42.924  3.3160 0.000000       0.000000 
1 1 1 15 15 23 o 67.066  2.3284 35.501   2.4413  35.501   2.4413  35.501   2.4413  67.066  2.3284 67.066  2.3284 0.000000       0.000000 
1 1 1 15 15 24 o 23.112  5.3056 4.8486   1.6739  4.8486   1.6739  4.8486   1.6739  23.112  5.3056 23.112  5.3056 -0.000000      0.000000 
1 1 1 15 15 25 o 89.800  2.3674 63.572   3.3275  63.572   3.3275  63.572   3.3275  89.800  2.3674 89.800  2.3674 0.000000       0.000000 
1 1 1 15 15 26 o 28.347  4.7855 6.8936   1.9446  6.8936   1.9446  6.8936   1.9446  28.347  4.7855 28.347  4.7855 0.000000       0.000000 
1 1 1 15 15 27 o 36.389  3.6407 10.779   2.0292  10.779   2.0292  10.779   2.0292  36.389  3.6407 36.389  3.6407 0.000000       0.000000 
1 1 1 15 15 28 o 51.539  3.3649 21.253   2.6921  21.253   2.6921  21.253   2.6921  51.539  3.3649 51.539  3.3649 0.000000       0.000000 
1 1 1 15 15 29 o 81.273  2.4490 52.147   3.1138  52.147   3.1138  52.147   3.1138  81.273  2.4490 81.273  2.4490 0.000000       0.000000 
1 1 1 15 15 30 f 48.172  3.0985 18.548   2.3177  18.548   2.3177  18.548   2.3177  48.172  3.0985 48.172  3.0985 -0.000000      0.000000 
1 1 1 15 15 31 o 7.3720  5.0465 -1.1375  1.8509  -1.1375  1.8509  -1.1375  1.8509  7.3720  5.0465 7.3720  5.0465 0.000000       0.000000 
1 1 1 15 15 32 o 7.5341  5.0845 -0.7426  1.7454  -0.7426  1.7454  -0.7426  1.7454  7.5341  5.0845 7.5341  5.0845 0.000000       0.000000 
1 1 1 15 15 33 o 80.754  2.4237 51.522   3.0621  51.522   3.0621  51.522   3.0621  80.754  2.4237 80.754  2.4237 0.000000       0.000000 
1 1 1 15 15 34 o 18.528  6.8195 3.6987   1.8326  3.6987   1.8326  3.6987   1.8326  18.528  6.8195 18.528  6.8195 0.000000       0.000000 
1 1 1 15 15 35 o 13.460  7.1062 2.1747   2.0016  2.1747   2.0016  2.1747   2.0016  13.460  7.1062 13.460  7.1062 0.000000       0.000000 
1 1 1 15 15 36 o 16.857  7.1606 3.2837   1.9208  3.2837   1.9208  3.2837   1.9208  16.857  7.1606 16.857  7.1606 0.000000       0.000000 
1 1 1 15 15 37 o 28.835  5.0091 7.2301   2.0595  7.2301   2.0595  7.2301   2.0595  28.835  5.0091 28.835  5.0091 0.000000       0.000000 
1 1 1 15 15 38 o 61.717  2.7108 30.287   2.6113  30.287   2.6113  30.287   2.6113  61.717  2.7108 61.717  2.7108 -0.000000      0.000000 
1 1 1 15 15 39 o 9.2105  5.9016 0.2149   1.9239  0.2149   1.9239  0.2149   1.9239  9.2105  5.9016 9.2105  5.9016 -0.000000      0.000000 
1 1 1 15 15 40 o 11.864  6.7352 1.5927   1.9425  1.5927   1.9425  1.5927   1.9425  11.864  6.7352 11.864  6.7352 -0.000000      0.000000 
1 1 1 15 15 41 o 29.596  4.7581 7.5673   2.0365  7.5673   2.0365  7.5673   2.0365  29.596  4.7581 29.596  4.7581 0.000000       0.000000 
1 1 1 15 15 42 o 26.812  4.8809 6.3326   1.8503  6.3326   1.8503  6.3326   1.8503  26.812  4.8809 26.812  4.8809 0.000000       0.000000 
1 1 1 15 15 43 o 12.085  6.5890 1.7666   1.7712  1.7666   1.7712  1.7666   1.7712  12.085  6.5890 12.085  6.5890 0.000000       0.000000 
1 1 1 15 15 44 o 11.927  6.8257 1.6440   2.0164  1.6440   2.0164  1.6440   2.0164  11.927  6.8257 11.927  6.8257 0.000000       0.000000 
1 1 1 15 15 45 o 31.408  4.1046 8.3442   1.9255  8.3442   1.9255  8.3442   1.9255  31.408  4.1046 31.408  4.1046 -0.000000      0.000000 
1 1 1 15 15 46 o 9.0416  5.8171 0.2373   1.8924  0.2373   1.8924  0.2373   1.8924  9.0416  5.8171 9.0416  5.8171 0.000000       0.000000 
1 1 1 15 15 47 o 59.623  2.5928 28.424   2.4131  28.424   2.4131  28.424   2.4131  59.623  2.5928 59.623  2.5928 0.000000       0.000000 
1 1 1 15 15 48 o 6.1922  4.4252 -2.7210  1.9504  -2.7210  1.9504  -2.7210  1.9504  6.1922  4.4252 6.1922  4.4252 0.000000       0.000000 
1 1 1 15 15 49 o 11.643  6.8219 1.5683   2.0898  1.5683   2.0898  1.5683   2.0898  11.643  6.8219 11.643  6.8219 0.000000       0.000000 
1 1 1 15 15 50 o 6.0831  4.3773 -3.2697  2.0516  -3.2697  2.0516  -3.2697  2.0516  6.0831  4.3773 6.0831  4.3773 0.000000       0.000000 
1 1 1 15 15 51 o 12.863  6.8383 2.1543   1.8633  2.1543   1.8633  2.1543   1.8633  12.863  6.8383 12.863  6.8383 0.000000       0.000000 
1 1 1 15 15 52 o 45.466  3.1577 16.872   2.2258  16.872   2.2258  16.872   2.2258  45.466  3.1577 45.466  3.1577 0.000000       0.000000 
1 1 1 15 15 53 o 9.8091  6.0938 0.8053   1.8817  0.8053   1.8817  0.8053   1.8817  9.8091  6.0938 9.8091  6.0938 -0.000000      0.000000 
1 1 1 15 15 54 o 6.3269  4.4786 -2.0299  1.8316  -2.0299  1.8316  -2.0299  1.8316  6.3269  4.4786 6.3269  4.4786 0.000000       0.000000 
1 1 1 15 15 55 o 9.4122  6.0094 0.5128   1.9731  0.5128   1.9731  0.5128   1.9731  9.4122  6.0094 9.4122  6.0094 0.000000       0.000000 
1 1 1 15 15 56 o 10.971  6.5336 1.4133   1.9730  1.4133   1.9730  1.4133   1.9730  10.971  6.5336 10.971  6.5336 -0.000000      0.000000 
1 1 1 15 15 57 o 24.174  6.5221 5.9924   2.1362  5.9924   2.1362  5.9924   2.1362  24.174  6.5221 24.174  6.5221 -0.000000      0.000000 
1 1 1 15 15 58 o 7.8945  5.3860 -0.7435  2.0693  -0.7435  2.0693  -0.7435  2.0693  7.8945  5.3860 7.8945  5.3860 0.000000       0.000000 
1 1 1 15 15 59 o 13.360  7.0247 2.5313   1.9501  2.5313   1.9501  2.5313   1.9501  13.360  7.0247 13.360  7.0247 0.000000       0.000000 
1 1 1 15 15 60 o 10.780  6.6132 1.4024   2.1506  1.4024   2.1506  1.4024   2.1506  10.780  6.6132 10.780  6.6132 0.000000       0.000000 
1 1 1 16 0  0  o 85.517  2.5585 57.483   3.4231  57.483   3.4231  57.483   3.4231  85.517  2.5585 85.517  2.5585 -0.000000      0.000000 
1 1 1 16 0  1  o 189.676 2.0868 282.140  6.2034  282.140  6.2034  282.140  6.2034  189.676 2.0868 189.676 2.0868 0.000000       0.000000 
1 1 1 16 0  2  o 254.833 2.4973 509.266  9.9745  509.266  9.9745  509.266  9.9745  254.833 2.4973 254.833 2.4973 -0.000000      0.000000 
1 1 1 16 0  3  o 348.094 3.4701 950.415  18.932  950.415  18.932  950.415  18.932  348.094 3.4701 348.094 3.4701 0.000000       0.000000 
1 1 1 16 0  4  o 53.082  2.3373 22.218   1.9364  22.218   1.9364  22.218   1.9364  53.082  2.3373 53.082  2.3373 0.000000       0.000000 
1 1 1 16 0  5  o 242.005 2.6368 459.332  10.001  459.332  10.001  459.332  10.001  242.005 2.6368 242.005 2.6368 0.000000       0.000000 
1 1 1 16 0  6  o 214.617 2.4412 361.250  8.2111  361.250  8.2111  361.250  8.2111  214.617 2.4412 214.617 2.4412 0.000000       0.000000 
1 1 1 16 0  7  o 219.443 2.7780 377.735  9.5533  377.735  9.5533  377.735  9.5533  219.443 2.7780 219.443 2.7780 0.000000       0.000000 
1 1 1 16 0  8  o 501.191 5.3481 1971.55  42.009  1971.55  42.009  1971.55  42.009  501.191 5.3481 501.191 5.3481 0.000000       0.000000 
1 1 1 16 0  9  o 36.285  3.5800 10.623   1.9909  10.623   1.9909  10.623   1.9909  36.285  3.5800 36.285  3.5800 -0.000000      0.000000 
1 1 1 16 0  10 o 369.033 3.6548 1068.29  21.139  1068.29  21.139  1068.29  21.139  369.033 3.6548 369.033 3.6548 -0.000000      0.000000 
1 1 1 16 0  11 o 461.125 4.4330 1668.37  32.039  1668.37  32.039  1668.37  32.039  461.125 4.4330 461.125 4.4330 0.000000       0.000000 
1 1 1 16 0  12 o 192.271 2.3219 289.952  6.9963  289.952  6.9963  289.952  6.9963  192.271 2.3219 192.271 2.3219 0.000000       0.000000 
1 1 1 16 0  13 o 40.659  2.8666 13.154   1.8063  13.154   1.8063  13.154   1.8063  40.659  2.8666 40.659  2.8666 0.000000       0.000000 
1 1 1 16 0  14 o 379.188 3.7468 1127.98  22.268  1127.98  22.268  1127.98  22.268  379.188 3.7468 379.188 3.7468 0.000000       0.000000 
1 1 1 16 0  15 o 43.978  2.3830 15.296   1.6319  15.296   1.6319  15.296   1.6319  43.978  2.3830 43.978  2.3830 0.000000       0.000000 
1 1 1 16 0  16 o 219.106 2.4804 376.540  8.5173  376.540  8.5173  376.540  8.5173  219.106 2.4804 219.106 2.4804 0.000000       0.000000 
1 1 1 16 0  17 o 77.295  1.8359 46.916   2.2218  46.916   2.2218  46.916   2.2218  77.295  1.8359 77.295  1.8359 0.000000       0.000000 
1 1 1 16 0  18 o 101.212 1.7827 80.380   2.8265  80.380   2.8265  80.380   2.8265  101.212 1.7827 101.212 1.7827 0.000000       0.000000 
1 1 1 16 0  19 o 236.381 2.3813 438.220  8.8224  438.220  8.8224  438.220  8.8224  236.381 2.3813 236.381 2.3813 -0.000000      0.000000 
1 1 1 16 0  20 o 248.024 2.4557 482.460  9.5460  482.460  9.5460  482.460  9.5460  248.024 2.4557 248.024 2.4557 -0.000000      0.000000 
1 1 1 16 0  21 o 257.202 2.7613 518.898  11.131  518.898  11.131  518.898  11.131  257.202 2.7613 257.202 2.7613 0.000000       0.000000 
1 1 1 16 0  22 f 197.545 2.3480 306.096  7.2691  306.096  7.2691  306.096  7.2691  197.545 2.3480 197.545 2.3480 -0.000000      0.000000 
1 1 1 16 0  23 o 143.390 1.8722 161.271  4.2068  161.271  4.2068  161.271  4.2068  143.390 1.8722 143.390 1.8722 0.000000       0.000000 
1 1 1 16 0  24 o 264.933 2.5731 550.510  10.684  550.510  10.684  550.510  10.684  264.933 2.5731 264.933 2.5731 -0.000000      0.000000 
1 1 1 16 0  25 o 214.735 2.2525 361.651  7.5807  361.651  7.5807  361.651  7.5807  214.735 2.2525 214.735 2.2525 0.000000       0.000000 
1 1 1 16 0  26 o 134.165 1.8654 141.199  3.9216  141.199  3.9216  141.199  3.9216  134.165 1.8654 134.165 1.8654 0.000000       0.000000 
1 1 1 16 0  27 o 141.162 1.8890 156.307  4.1785  156.307  4.1785  156.307  4.1785  141.162 1.8890 141.162 1.8890 0.000000       0.000000 
1 1 1 16 0  28 o 144.705 1.9021 164.251  4.3133  164.251  4.3133  164.251  4.3133  144.705 1.9021 144.705 1.9021 -0.000000      0.000000 
1 1 1 16 0  29 o 104.917 1.9773 86.393   3.2496  86.393   3.2496  86.393   3.2496  104.917 1.9773 104.917 1.9773 0.000000       0.000000 
1 1 1 16 0  30 o 56.313  2.2452 24.983   1.9749  24.983   1.9749  24.983   1.9749  56.313  2.2452 56.313  2.2452 -0.000000      0.000000 
1 1 1 16 0  31 o 21.142  5.5595 4.1585   1.5920  4.1585   1.5920  4.1585   1.5920  21.142  5.5595 21.142  5.5595 0.000000       0.000000 
1 1 1 16 0  32 o 148.593 1.9293 173.202  4.4925  173.202  4.4925  173.202  4.4925  148.593 1.9293 148.593 1.9293 0.000000       0.000000 
1 1 1 16 0  33 o 109.968 1.8369 94.892   3.1646  94.892   3.1646  94.892   3.1646  109.968 1.8369 109.968 1.8369 -0.000000      0.000000 
1 1 1 16 0  34 o 121.782 1.8551 116.361  3.5398  116.361  3.5398  116.361  3.5398  121.782 1.8551 121.782 1.8551 0.000000       0.000000 
1 1 1 16 0  35 o 78.311  2.0561 48.186   2.5202  48.186   2.5202  48.186   2.5202  78.311  2.0561 78.311  2.0561 -0.000000      0.000000 
1 1 1 16 0  36 o 77.648  1.9143 47.362   2.3271  47.362   2.3271  47.362   2.3271  77.648  1.9143 77.648  1.9143 -0.000000      0.000000 
1 1 1 16 0  37 o 7.9261  5.1255 -0.0541  1.4947  -0.0541  1.4947  -0.0541  1.4947  7.9261  5.1255 7.9261  5.1255 0.000000       0.000000 
1 1 1 16 0  38 o 50.068  2.3368 19.789   1.8251  19.789   1.8251  19.789   1.8251  50.068  2.3368 50.068  2.3368 0.000000       0.000000 
1 1 1 16 0  39 f 76.474  1.9150 45.948   2.2926  45.948   2.2926  45.948   2.2926  76.474  1.9150 76.474  1.9150 0.000000       0.000000 
1 1 1 16 0  40 o 10.523  5.8596 1.1836   1.4344  1.1836   1.4344  1.1836   1.4344  10.523  5.8596 10.523  5.8596 0.000000       0.000000 
1 1 1 16 0  41 o 153.832 1.9196 185.678  4.6276  185.678  4.6276  185.678  4.6276  153.832 1.9196 153.832 1.9196 0.000000       0.000000 
1 1 1 16 0  42 o 8.5288  5.2532 0.4374   1.3691  0.4374   1.3691  0.4374   1.3691  8.5288  5.2532 8.5288  5.2532 -0.000000      0.000000 
1 1 1 16 0  43 o 15.194  5.7818 2.4633   1.2956  2.4633   1.2956  2.4633   1.2956  15.194  5.7818 15.194  5.7818 -0.000000      0.000000 
1 1 1 16 0  44 o 6.1460  4.1751 -0.6673  1.2161  -0.6673  1.2161  -0.6673  1.2161  6.1460  4.1751 6.1460  4.1751 -0.000000      0.000000 
1 1 1 16 0  45 o 75.717  1.7223 45.041   2.0419  45.041   2.0419  45.041   2.0419  75.717  1.7223 75.717  1.7223 0.000000       0.000000 
1 1 1 16 0  46 o 6.2687  4.2105 -0.4750  1.1704  -0.4750  1.1704  -0.4750  1.1704  6.2687  4.2105 6.2687  4.2105 0.000000       0.000000 
1 1 1 16 0  47 f 17.799  5.2393 3.0641   1.2704  3.0641   1.2704  3.0641   1.2704  17.799  5.2393 17.799  5.2393 0.000000       0.000000 
1 1 1 16 0  48 o 101.711 1.6732 81.231   2.6663  81.231   2.6663  81.231   2.6663  101.711 1.6732 101.711 1.6732 0.000000       0.000000 
1 1 1 16 0  49 o 58.773  1.8860 27.194   1.7336  27.194   1.7336  27.194   1.7336  58.773  1.8860 58.773  1.8860 0.000000       0.000000 
1 1 1 16 0  50 o 48.804  2.0696 18.802   1.5769  18.802   1.5769  18.802   1.5769  48.804  2.0696 48.804  2.0696 0.000000       0.000000 
1 1 1 16 0  51 o 47.796  2.0610 18.039   1.5377  18.039   1.5377  18.039   1.5377  47.796  2.0610 47.796  2.0610 0.000000       0.000000 
1 1 1 16 0  52 o 43.308  2.4291 14.879   1.6373  14.879   1.6373  14.879   1.6373  43.308  2.4291 43.308  2.4291 0.000000       0.000000 
1 1 1 16 0  53 o 75.762  1.8875 45.155   2.2386  45.155   2.2386  45.155   2.2386  75.762  1.8875 75.762  1.8875 -0.000000      0.000000 
1 1 1 16 0  54 o 47.102  3.0168 17.687   2.2067  17.687   2.2067  17.687   2.2067  47.102  3.0168 47.102  3.0168 0.000000       0.000000 
1 1 1 16 0  55 o 8.7197  5.5597 0.1742   1.6817  0.1742   1.6817  0.1742   1.6817  8.7197  5.5597 8.7197  5.5597 -0.000000      0.000000 
1 1 1 16 0  56 o 18.429  7.0837 3.6978   1.9368  3.6978   1.9368  3.6978   1.9368  18.429  7.0837 18.429  7.0837 -0.000000      0.000000 
1 1 1 16 0  57 o 112.484 2.5927 99.772   4.5665  99.772   4.5665  99.772   4.5665  112.484 2.5927 112.484 2.5927 -0.000000      0.000000 
1 1 1 16 0  58 o 60.277  2.0741 28.666   1.9546  28.666   1.9546  28.666   1.9546  60.277  2.0741 60.277  2.0741 0.000000       0.000000 
1 1 1 16 0  59 o 53.863  2.1562 22.930   1.8140  22.930   1.8140  22.930   1.8140  53.863  2.1562 53.863  2.1562 -0.000000      0.000000 
1 1 1 16 0  60 o 120.167 1.8563 113.593  3.4950  113.593  3.4950  113.593  3.4950  120.167 1.8563 120.167 1.8563 0.000000       0.000000 
1 1 1 16 0  61 o 21.875  4.3421 4.2160   1.3228  4.2160   1.3228  4.2160   1.3228  21.875  4.3421 21.875  4.3421 0.000000       0.000000 
1 1 1 16 0  62 o 46.664  2.5062 17.322   1.8213  17.322   1.8213  17.322   1.8213  46.664  2.5062 46.664  2.5062 -0.000000      0.000000 
1 1 1 16 0  63 o 35.849  3.0082 10.383   1.6632  10.383   1.6632  10.383   1.6632  35.849  3.0082 35.849  3.0082 -0.000000      0.000000 
1 1 1 16 0  64 o 21.897  6.1613 4.6786   1.8310  4.6786   1.8310  4.6786   1.8310  21.897  6.1613 21.897  6.1613 0.000000       0.000000 
1 1 1 16 0  65 o 52.975  3.6510 22.701   2.9990  22.701   2.9990  22.701   2.9990  52.975  3.6510 52.975  3.6510 -0.000000      0.000000 
1 1 1 16 0  66 o 9.0738  5.4300 0.7511   1.3757  0.7511   1.3757  0.7511   1.3757  9.0738  5.4300 9.0738  5.4300 -0.000000      0.000000 
1 1 1 16 0  67 o 45.427  2.4452 16.477   1.7298  16.477   1.7298  16.477   1.7298  45.427  2.4452 45.427  2.4452 0.000000       0.000000 
1 1 1 16 0  68 o 18.434  4.8477 3.2455   1.2104  3.2455   1.2104  3.2455   1.2104  18.434  4.8477 18.434  4.8477 -0.000000      0.000000 
1 1 1 16 0  69 o 13.731  5.3639 2.1066   1.1032  2.1066   1.1032  2.1066   1.1032  13.731  5.3639 13.731  5.3639 0.000000       0.000000 
1 1 1 16 0  70 o 42.225  3.4921 14.635   2.2752  14.635   2.2752  14.635   2.2752  42.225  3.4921 42.225  3.4921 0.000000       0.000000 
1 1 1 16 0  71 o 41.951  3.6054 14.523   2.3308  14.523   2.3308  14.523   2.3308  41.951  3.6054 41.951  3.6054 0.000000       0.000000 
1 1 1 16 0  72 o 21.770  6.9391 5.0548   2.0860  5.0548   2.0860  5.0548   2.0860  21.770  6.9391 21.770  6.9391 0.000000       0.000000 
1 1 1 16 0  73 o 48.873  3.2661 19.513   2.4767  19.513   2.4767  19.513   2.4767  48.873  3.2661 48.873  3.2661 0.000000       0.000000 
1 1 1 16 0  74 f 13.517  7.1773 2.4493   2.0506  2.4493   2.0506  2.4493   2.0506  13.517  7.1773 13.517  7.1773 0.000000       0.000000 
1 1 1 16 0  75 o 39.218  3.8950 12.956   2.3405  12.956   2.3405  12.956   2.3405  39.218  3.8950 39.218  3.8950 0.000000       0.000000 
1 1 1 16 0  76 o 22.051  6.9523 5.2777   2.1120  5.2777   2.1120  5.2777   2.1120  22.051  6.9523 22.051  6.9523 0.000000       0.000000 
1 1 1 16 0  77 o 7.3906  5.0958 -1.0546  1.9671  -1.0546  1.9671  -1.0546  1.9671  7.3906  5.0958 7.3906  5.0958 0.000000       0.000000 
1 1 1 16 0  78 o 14.735  7.2880 3.0490   2.0239  3.0490   2.0239  3.0490   2.0239  14.735  7.2880 14.735  7.2880 -0.000000      0.000000 
1 1 1 16 1  0  o 73.646  1.9217 42.605   2.2153  42.605   2.2153  42.605   2.2153  73.646  1.9217 73.646  1.9217 0.000000       0.000000 
1 1 1 16 1  1  o 88.260  1.2987 61.066   1.7969  58.444   2.5029  63.856   2.5812  86.338  1.8492 90.248  1.8245 -3.909470      2.597744 
1 1 1 16 1  2  o 440.487 2.7459 1521.69  18.961  1510.91  26.623  1532.79  27.012  438.806 3.8701 441.968 3.8987 -3.162415      5.493400 
1 1 1 16 1  3  o 221.433 1.6194 384.407  5.6214  392.444  8.0888  376.900  7.8177  223.714 2.3064 219.240 2.2746 4.473969       3.239355 
1 1 1 16 1  4  o 252.340 1.7593 499.222  6.9596  504.947  9.9405  493.718  9.7472  253.753 2.4989 250.917 2.4780 2.836411       3.519176 
1 1 1 16 1  5  o 214.037 1.5843 359.155  5.3159  369.245  7.6950  349.944  7.3522  217.002 2.2620 211.256 2.2200 5.746231       3.169398 
1 1 1 16 1  6  o 240.944 1.7080 455.147  6.4513  454.743  9.1218  455.550  9.1253  240.811 2.4163 241.025 2.4151 -0.2136383     3.416300 
1 1 1 16 1  7  o 195.641 1.5100 300.071  4.6312  299.597  6.5456  300.546  6.5534  195.468 2.1361 195.778 2.1352 -0.3094025     3.020293 
1 1 1 16 1  8  o 184.445 1.4663 266.707  4.2399  264.602  5.9682  268.852  6.0243  183.699 2.0724 185.168 2.0753 -1.469269      2.932923 
1 1 1 16 1  9  o 322.699 2.2093 816.581  11.177  819.217  16.625  814.406  15.097  323.140 3.2819 322.215 2.9888 0.9252930      4.438870 
1 1 1 16 1  10 o 220.144 1.7735 379.975  6.1206  373.278  8.4983  387.193  8.8224  218.167 2.4848 222.194 2.5328 -4.026703      3.548151 
1 1 1 16 1  11 o 105.172 1.4955 86.718   2.4657  90.215   3.8141  84.208   3.2317  107.258 2.2683 103.631 1.9893 3.626953       3.017050 
1 1 1 16 1  12 o 413.003 2.8415 1337.96  18.397  1316.38  25.599  1361.02  26.458  409.514 3.9875 416.390 4.0532 -6.876190      5.685857 
1 1 1 16 1  13 o 109.840 1.4787 94.588   2.5462  96.564   3.4441  92.205   3.7811  110.973 1.9797 108.435 2.2243 2.538742       2.977736 
1 1 1 16 1  14 o 120.702 1.5961 114.224  3.0202  115.534  4.2925  112.939  4.2503  121.378 2.2559 120.007 2.2592 1.371094       3.192665 
1 1 1 16 1  15 o 311.972 2.7037 763.411  13.223  744.356  17.080  791.915  20.891  307.978 3.5377 317.587 4.1960 -9.609497      5.488312 
1 1 1 16 1  16 o 119.735 1.5898 112.401  2.9841  110.184  3.7407  116.281  4.9488  118.539 2.0130 121.759 2.5926 -3.219841      3.282371 
1 1 1 16 1  17 o 116.445 1.5709 106.309  2.8677  106.778  3.6575  105.560  4.6204  116.693 1.9993 116.011 2.5405 0.6816559      3.232879 
1 1 1 16 1  18 o 94.603  1.5142 70.167   2.2457  75.239   3.0960  64.535   3.2623  97.954  2.0161 90.714  2.2940 7.240448       3.054047 
1 1 1 16 1  19 o 126.975 1.5187 126.404  3.0231  122.471  3.9697  131.835  4.6645  124.973 2.0262 129.655 2.2949 -4.682228      3.061417 
1 1 1 16 1  20 o 69.915  1.5584 38.325   1.7081  42.180   2.4902  34.899   2.3473  73.339  2.1659 66.709  2.2446 6.630043       3.119208 
1 1 1 16 1  21 o 108.220 1.4208 91.820   2.4104  89.083   3.3736  94.673   3.4452  106.584 2.0190 109.878 2.0001 -3.293747      2.842010 
1 1 1 16 1  22 o 163.698 1.6229 210.103  4.1647  210.588  5.0665  209.091  7.3131  163.876 1.9721 163.255 2.8575 0.6209869      3.471969 
1 1 1 16 1  23 o 38.859  2.0214 11.873   1.2271  12.115   1.7003  11.611   1.7728  39.199  2.7851 38.354  2.9716 0.8441849      4.072783 
1 1 1 16 1  24 o 184.566 1.5408 267.082  4.4581  265.197  6.0046  269.399  6.6550  183.894 2.0829 185.335 2.2905 -1.441559      3.095947 
1 1 1 16 1  25 o 87.296  1.4014 59.747   1.9179  58.839   2.5612  60.906   2.8938  86.622  1.8861 88.127  2.0946 -1.504044      2.818650 
1 1 1 16 1  26 o 35.227  2.3274 9.7757   1.2780  10.852   1.7406  8.5166   1.8825  37.066  3.0219 32.724  3.7366 4.342209       4.805614 
1 1 1 16 1  27 o 191.620 1.5705 287.897  4.7176  291.681  6.4422  283.521  6.9277  192.850 2.1309 190.124 2.3243 2.726593       3.153291 
1 1 1 16 1  28 o 44.969  1.9019 15.858   1.3408  16.499   1.8205  15.098   1.9821  45.789  2.5462 43.769  2.9051 2.020271       3.863037 
1 1 1 16 1  29 o 24.843  3.3098 4.9300   1.2569  4.0828   1.6018  6.2876   2.0277  22.371  4.7160 27.886  4.8124 -5.514965      6.737946 
1 1 1 16 1  30 o 67.758  1.5178 35.999   1.6123  34.547   2.1262  37.964   2.4731  66.369  2.0435 69.569  2.2677 -3.200180      3.052584 
1 1 1 16 1  31 o 106.015 1.3757 88.121   2.2864  88.835   3.0958  87.265   3.3914  106.432 1.8554 105.481 2.0509 0.9507294      2.765672 
1 1 1 16 1  32 o 89.679  1.5272 63.061   2.1470  64.973   2.8849  60.686   3.2144  91.017  2.0219 87.953  2.3312 3.063072       3.085888 
1 1 1 16 1  33 o 112.934 1.3739 100.002  2.4323  98.295   3.2886  102.064  3.6141  111.952 1.8738 114.072 2.0210 -2.120811      2.756015 
1 1 1 16 1  34 o 73.326  1.4864 42.161   1.7087  44.518   2.3462  39.498   2.4934  75.337  1.9866 70.956  2.2415 4.381683       2.995157 
1 1 1 16 1  35 o 106.222 1.3688 88.472   2.2794  90.074   3.1336  86.671   3.3216  107.164 1.8653 105.115 2.0157 2.049072       2.746341 
1 1 1 16 1  36 o 135.562 1.3927 144.100  2.9597  145.697  4.0226  142.216  4.3703  136.289 1.8828 134.641 2.0705 1.647781       2.798562 
1 1 1 16 1  37 o 147.403 1.4174 170.382  3.2754  169.855  4.4232  171.023  4.8738  147.148 1.9174 147.641 2.1058 -0.4926453     2.847956 
1 1 1 16 1  38 o 20.923  3.3033 3.5238   1.0475  3.6745   1.5284  3.3904   1.4385  21.183  4.7231 20.345  4.6161 0.8371944      6.604254 
1 1 1 16 1  39 o 104.872 1.2492 86.242   2.0537  85.209   2.9754  87.183   2.8383  104.218 1.8212 105.423 1.7174 -1.204788      2.503216 
1 1 1 16 1  40 o 78.679  1.3015 48.546   1.6053  52.208   2.3842  45.510   2.1711  81.571  1.8645 76.161  1.8185 5.409698       2.604441 
1 1 1 16 1  41 o 31.600  2.1200 7.8737   1.0441  9.4112   1.5433  6.5759   1.4179  34.484  2.8812 28.740  3.2014 5.744183       4.307020 
1 1 1 16 1  42 o 113.132 1.2359 100.378  2.1919  99.496   3.2014  101.156  3.0073  112.598 1.8137 113.543 1.6895 -0.9443130     2.478656 
1 1 1 16 1  43 o 126.050 1.2524 124.619  2.4747  129.214  3.6925  120.872  3.3344  128.306 1.8358 124.106 1.7138 4.199883       2.511443 
1 1 1 16 1  44 o 59.479  1.3793 27.754   1.2861  27.893   1.8838  27.633   1.7602  59.599  2.0162 59.327  1.8926 0.2718658      2.765325 
1 1 1 16 1  45 o 7.9444  3.5374 -0.3493  0.8890  -3.1657  1.2515  2.5189   1.2630  6.3839  3.1767 17.514  4.5565 -11.12999      5.554579 
1 1 1 16 1  46 o 89.848  1.2323 63.329   1.7357  59.308   2.4467  67.403   2.4628  86.909  1.7958 92.659  1.6955 -5.750084      2.469744 
1 1 1 16 1  47 o 28.102  2.1918 6.2451   0.9580  6.8063   1.3644  5.6996   1.3453  29.235  3.0205 26.683  3.2857 2.552244       4.463107 
1 1 1 16 1  48 o 44.292  1.7916 15.408   1.2440  13.553   1.7324  17.383   1.7875  41.401  2.6837 46.941  2.4374 -5.539356      3.625380 
1 1 1 16 1  49 o 55.859  1.5469 24.498   1.3545  23.565   1.9827  25.314   1.8549  54.729  2.3109 56.744  2.0852 -2.014858      3.112645 
1 1 1 16 1  50 f 96.898  1.3490 73.695   2.0492  73.222   3.0325  74.093   2.7799  96.508  2.0044 97.104  1.8261 -0.5967865     2.711528 
1 1 1 16 1  51 o 19.318  3.4537 3.0396   1.0075  2.5924   1.4587  3.4477   1.3933  17.769  5.0167 20.425  4.4750 -2.656557      6.722538 
1 1 1 16 1  52 o 100.279 1.4410 78.959   2.2654  83.125   3.4871  75.916   2.9798  102.778 2.1643 98.259  1.9345 4.518700       2.902782 
1 1 1 16 1  53 o 25.743  2.7043 5.2849   1.0751  5.7761   1.6028  4.8832   1.4495  26.684  3.9508 24.502  3.9047 2.181934       5.554743 
1 1 1 16 1  54 o 19.508  3.5078 3.1066   1.0333  1.8652   1.5243  4.1621   1.4055  15.666  5.2594 22.524  4.1328 -6.857558      6.688853 
1 1 1 16 1  55 o 89.055  1.4817 62.300   2.0686  61.987   2.8314  62.658   3.0295  88.746  2.0352 89.200  2.1664 -0.4546585     2.972454 
1 1 1 16 1  56 o 66.268  1.6884 34.525   1.7540  34.093   2.2927  35.134   2.7235  65.781  2.2233 66.712  2.6042 -0.9318466     3.424179 
1 1 1 16 1  57 o 69.604  1.6720 38.093   1.8244  41.117   2.4318  34.199   2.7593  72.241  2.1473 65.791  2.6753 6.450035       3.430448 
1 1 1 16 1  58 o 48.868  1.8309 18.794   1.4027  18.869   1.9335  18.709   2.0380  48.813  2.5354 48.575  2.6867 0.2384453      3.694174 
1 1 1 16 1  59 o 46.915  1.8576 17.329   1.3662  14.423   1.8466  20.843   2.0306  42.597  2.7806 51.357  2.5222 -8.760212      3.754092 
1 1 1 16 1  60 o 109.014 1.3362 93.382   2.2835  90.547   3.1205  96.651   3.3505  107.223 1.8564 110.757 1.9297 -3.534073      2.677681 
1 1 1 16 1  61 o 65.756  1.3702 33.987   1.4124  34.226   2.0403  33.767   1.9572  65.887  1.9753 65.456  1.9074 0.4305191      2.745894 
1 1 1 16 1  62 o 73.801  1.3251 42.815   1.5331  41.762   2.1812  43.842   2.1552  72.775  1.9118 74.581  1.8434 -1.806076      2.655772 
1 1 1 16 1  63 o 9.6781  3.9522 0.3034   0.9491  0.6915   1.3128  -0.1216  1.3737  11.951  4.7277 10.450  4.5319 1.500793       6.548934 
1 1 1 16 1  64 o 51.431  1.5851 20.836   1.2780  20.685   1.8209  20.982   1.7942  51.113  2.2725 51.490  2.2227 -0.3776665     3.178749 
1 1 1 16 1  65 o 17.478  4.2644 2.5823   1.1581  2.6487   2.0427  2.5508   1.4058  18.035  6.0883 17.347  4.9345 0.6872940      7.836886 
1 1 1 16 1  66 o 34.601  1.9556 9.4979   1.0564  8.6291   1.4751  10.413   1.5137  32.735  2.9045 36.045  2.6984 -3.309410      3.964552 
1 1 1 16 1  67 o 53.432  1.5826 22.523   1.3257  23.702   1.7508  20.939   2.0295  54.696  2.0419 51.264  2.5253 3.432213       3.247556 
1 1 1 16 1  68 o 59.569  1.3944 27.967   1.3022  28.946   1.6686  26.442   2.0824  60.505  1.7592 57.651  2.3042 2.854412       2.898963 
1 1 1 16 1  69 o 30.709  1.8443 7.4946   0.8838  7.5950   1.1625  7.3571   1.3603  30.761  2.4305 30.118  2.9175 0.6430950      3.797297 
1 1 1 16 1  70 o 14.140  4.2906 1.6836   1.0342  2.2391   1.9392  1.4629   1.2226  16.627  5.9145 13.625  4.7075 3.001402       7.559235 
1 1 1 16 1  71 o 19.516  3.5281 3.1963   1.0397  4.6047   2.0677  2.7198   1.2028  22.549  5.8124 17.726  4.3587 4.823433       7.265167 
1 1 1 16 1  72 o 16.319  4.4182 2.3095   1.1580  4.9454   1.9938  0.9677   1.4226  23.465  5.5136 12.659  4.9476 10.80624       7.408008 
1 1 1 16 1  73 o 32.547  3.4446 8.7527   1.7308  8.5452   2.2016  9.0885   2.8007  31.556  4.5845 31.755  5.8412 -0.1998444     7.425462 
1 1 1 16 1  74 o 24.130  4.5552 5.0595   1.6600  5.8244   2.1245  3.8604   2.6598  25.417  5.4922 20.368  6.9470 5.048689       8.855782 
1 1 1 16 1  75 o 10.000  4.4656 -0.3521  1.4276  -0.9058  1.9660  0.2656   2.0765  11.016  5.0459 12.906  5.5842 -1.890158      7.526294 
1 1 1 16 1  76 o 18.322  4.9820 3.0269   1.4687  2.1681   2.0276  3.9750   2.1304  16.208  6.0063 20.500  6.1440 -4.292704      8.592078 
1 1 1 16 1  77 o 15.970  5.2520 2.2697   1.5220  0.0980   2.0915  4.7141   2.2190  12.544  5.5126 22.108  6.1684 -9.564152      8.272743 
1 1 1 16 1  78 o 11.084  4.7261 0.3189   1.4468  -0.5553  2.0267  1.2274   2.0660  11.417  5.1887 14.163  5.8128 -2.745881      7.791728 
1 1 1 16 2  0  o 68.689  2.0208 37.084   2.1718  37.084   2.1718  37.084   2.1718  68.689  2.0208 68.689  2.0208 -0.000000      0.000000 
1 1 1 16 2  1  o 253.228 1.7730 502.770  7.0385  498.167  9.8713  507.531  10.039  252.031 2.4984 254.388 2.5172 -2.356583      3.546643 
1 1 1 16 2  2  o 351.762 2.2724 970.336  12.531  957.516  17.477  983.900  17.977  349.352 3.1912 354.128 3.2381 -4.775543      4.546348 
1 1 1 16 2  3  o 65.750  1.4240 33.892   1.4678  33.314   2.0439  34.508   2.1092  65.182  2.0003 66.338  2.0281 -1.156647      2.848551 
1 1 1 16 2  4  o 91.607  1.3564 65.789   1.9479  63.987   2.6003  68.093   2.9406  90.338  1.8361 93.188  2.0129 -2.850243      2.724527 
1 1 1 16 2  5  o 149.360 1.4177 174.893  3.3196  176.867  4.5281  172.599  4.8809  150.189 1.9232 148.361 2.0986 1.827667       2.846529 
1 1 1 16 2  6  o 222.428 1.7075 387.900  5.9538  392.373  8.1240  382.709  8.7508  223.682 2.3168 220.900 2.5270 2.781982       3.428277 
1 1 1 16 2  7  o 121.205 1.4322 115.173  2.7213  115.681  3.5017  114.397  4.3241  121.465 1.8390 120.779 2.2837 0.6866226      2.932116 
1 1 1 16 2  8  o 126.735 1.4389 125.922  2.8588  128.040  4.0533  123.826  4.0325  127.784 2.0234 125.663 2.0470 2.121048       2.878247 
1 1 1 16 2  9  o 82.095  1.4096 52.837   1.8142  53.521   2.4694  52.036   2.6739  82.618  1.9066 81.461  2.0939 1.157745       2.831886 
1 1 1 16 2  10 f 233.631 1.8480 427.983  6.7683  420.711  8.6089  439.754  10.952  231.613 2.3710 236.761 2.9508 -5.148727      3.785356 
1 1 1 16 2  11 f 343.294 2.3263 924.242  12.519  944.609  17.295  901.823  18.146  346.976 3.1796 339.001 3.4144 7.974792       4.665621 
1 1 1 16 2  12 o 287.544 2.0266 648.350  9.1352  650.238  12.398  646.108  13.512  287.914 2.7469 286.977 3.0033 0.9367676      4.070080 
1 1 1 16 2  13 o 249.997 1.9216 490.067  7.5310  495.787  10.753  484.560  10.551  251.405 2.7283 248.544 2.7079 2.861343       3.844012 
1 1 1 16 2  14 o 226.846 1.7289 403.477  6.1484  393.155  8.1424  417.171  9.3782  223.899 2.3198 230.620 2.5940 -6.721237      3.479967 
1 1 1 16 2  15 o 213.225 1.7399 356.479  5.8159  353.189  8.1412  359.908  8.3114  212.206 2.4472 214.214 2.4750 -2.007645      3.480596 
1 1 1 16 2  16 o 58.251  1.6573 26.604   1.5134  25.514   2.0865  27.814   2.1984  57.037  2.3335 59.552  2.3548 -2.514839      3.315188 
1 1 1 16 2  17 o 195.673 1.7516 300.210  5.3731  293.523  7.0911  309.224  8.2337  193.457 2.3382 198.548 2.6453 -5.090912      3.530539 
1 1 1 16 2  18 o 94.995  1.4980 70.750   2.2308  71.721   3.0111  69.568   3.3214  95.635  2.0084 94.184  2.2495 1.451660       3.015665 
1 1 1 16 2  19 o 77.138  1.6057 46.653   1.9418  45.111   2.5739  48.689   2.9582  75.844  2.1648 78.790  2.3950 -2.945908      3.228354 
1 1 1 16 2  20 o 346.446 2.9417 941.696  15.976  952.552  21.345  927.865  24.092  348.309 3.9091 343.677 4.4717 4.632782       5.939443 
1 1 1 16 2  21 o 202.849 2.0398 322.682  6.4864  321.082  8.5065  324.904  10.026  202.311 2.6821 203.480 3.1430 -1.169769      4.131890 
1 1 1 16 2  22 o 72.203  1.8938 40.880   2.1436  42.393   2.5733  37.451   3.8742  73.521  2.2327 68.977  3.5952 4.543625       4.232076 
1 1 1 16 2  23 o 138.196 1.7965 149.755  3.8920  150.921  4.5951  146.794  7.3213  138.723 2.1130 136.754 3.4150 1.968552       4.015846 
1 1 1 16 2  24 o 123.721 1.6554 120.021  3.2107  119.888  4.0474  120.249  5.2734  123.640 2.0882 123.803 2.7171 -0.1631470     3.426817 
1 1 1 16 2  25 o 271.762 2.1677 579.242  9.2350  576.342  12.332  582.943  13.934  271.017 2.9026 272.527 3.2616 -1.509552      4.366153 
1 1 1 16 2  26 o 148.328 1.5185 172.504  3.5310  171.944  5.0205  173.053  4.9672  148.064 2.1629 148.542 2.1331 -0.4779816     3.037825 
1 1 1 16 2  27 o 315.289 2.2890 779.741  11.314  783.863  16.102  775.723  15.900  316.007 3.2504 314.365 3.2263 1.641663       4.579778 
1 1 1 16 2  28 o 117.273 1.4695 107.833  2.7015  105.584  3.8155  110.093  3.8255  116.025 2.0977 118.478 2.0597 -2.452927      2.939846 
1 1 1 16 2  29 o 24.648  3.3283 4.8562   1.2532  5.1601   1.7127  4.5060   1.8385  25.245  4.4923 23.477  5.1379 1.768120       6.824860 
1 1 1 16 2  30 o 154.238 1.4523 186.531  3.5115  184.380  4.7143  189.211  5.2630  153.326 1.9613 155.312 2.1616 -1.985718      2.918776 
1 1 1 16 2  31 o 118.858 1.3883 110.769  2.5868  111.833  3.4924  109.476  3.8505  119.412 1.8656 118.140 2.0791 1.272995       2.793371 
1 1 1 16 2  32 o 21.925  4.0873 3.9006   1.3532  3.2784   1.7687  4.7790   2.1014  20.078  5.4704 24.145  5.6516 -4.067352      7.865483 
1 1 1 16 2  33 o 59.582  1.5852 27.839   1.4806  25.996   2.0299  29.934   2.1644  57.563  2.2495 61.769  2.2351 -4.206791      3.171114 
1 1 1 16 2  34 o 108.375 1.3363 92.094   2.2704  91.370   3.1694  92.858   3.2539  107.929 1.8732 108.803 1.9077 -0.8739929     2.673610 
1 1 1 16 2  35 o 92.338  1.3467 66.858   1.9494  67.816   2.7278  65.857   2.7868  92.980  1.8714 91.625  1.9401 1.354958       2.695616 
1 1 1 16 2  36 o 149.336 1.3833 174.883  3.2384  176.049  4.5756  173.712  4.5841  149.801 1.9484 148.802 1.9651 0.9984741      2.767326 
1 1 1 16 2  37 o 83.430  1.3580 54.585   1.7762  53.125   2.4649  56.163   2.5618  82.288  1.9107 84.607  1.9315 -2.318626      2.716896 
1 1 1 16 2  38 o 91.276  1.3351 65.337   1.9104  63.188   2.6287  67.742   2.7811  89.741  1.8685 92.917  1.9093 -3.175842      2.671457 
1 1 1 16 2  39 o 85.464  1.3476 57.284   1.8055  60.950   2.5465  53.578   2.5604  88.134  1.8431 82.626  1.9767 5.508446       2.702647 
1 1 1 16 2  40 o 11.356  4.2147 0.7810   0.9992  1.9839   1.3942  -0.4891  1.4326  15.934  5.0078 10.202  4.5192 5.731978       6.745474 
1 1 1 16 2  41 o 91.769  1.3126 66.055   1.8884  64.486   2.6000  67.808   2.7474  90.644  1.8297 92.945  1.8856 -2.301155      2.627360 
1 1 1 16 2  42 o 55.897  1.5098 24.515   1.3230  25.371   1.8422  23.603   1.9013  56.841  2.0673 54.816  2.2126 2.024181       3.028092 
1 1 1 16 2  43 o 37.839  2.0014 11.275   1.1830  9.0301   1.6870  13.448   1.6593  33.706  3.2323 41.275  2.5772 -7.569523      4.133985 
1 1 1 16 2  44 o 32.428  2.2284 8.3029   1.1259  7.0581   1.5767  9.5984   1.6084  29.720  3.4482 34.787  2.9781 -5.067596      4.556262 
1 1 1 16 2  45 o 87.170  1.5006 59.637   2.0506  62.293   3.0498  57.446   2.7704  89.026  2.1852 85.505  2.0668 3.520981       3.007811 
1 1 1 16 2  46 o 82.334  1.5629 53.215   2.0172  54.822   2.8837  51.675   2.8229  83.506  2.2028 81.071  2.2211 2.434593       3.128192 
1 1 1 16 2  47 o 128.991 1.7061 130.672  3.4500  129.738  4.0580  133.109  6.5527  128.480 2.0148 129.867 3.2186 -1.387314      3.797191 
1 1 1 16 2  48 o 77.450  1.5605 47.100   1.8947  44.584   2.3787  51.467   3.1339  75.309  2.0148 80.855  2.4725 -5.545181      3.189468 
1 1 1 16 2  49 o 25.976  2.6933 5.3745   1.0808  3.6266   1.5022  7.2506   1.5563  20.933  4.6936 30.103  3.3548 -9.170633      5.769252 
1 1 1 16 2  50 o 67.848  1.5536 36.154   1.6524  34.071   2.1841  38.940   2.5269  65.810  2.1171 70.333  2.2918 -4.523376      3.119998 
1 1 1 16 2  51 o 17.495  3.6201 2.5140   0.9601  2.7690   1.3746  2.2711   1.3416  18.281  4.7525 16.679  4.8442 1.602203       6.786191 
1 1 1 16 2  52 f 107.757 1.3639 91.171   2.3039  92.086   3.4907  90.465   3.0668  108.179 2.0584 107.268 1.8237 0.9112854      2.750069 
1 1 1 16 2  53 o 15.631  3.9840 2.0184   0.9791  2.2814   1.5423  1.8409   1.2673  16.868  5.2615 15.217  4.7731 1.651450       7.103972 
1 1 1 16 2  54 o 66.456  1.4126 34.687   1.4717  31.475   2.2367  37.140   1.9543  63.205  2.2574 68.720  1.8140 -5.515564      2.895944 
1 1 1 16 2  55 o 46.520  1.7809 17.021   1.2988  19.187   2.2591  15.952   1.5874  49.162  2.9449 44.933  2.2607 4.228786       3.712579 
1 1 1 16 2  56 o 27.689  2.5349 6.1029   1.0881  5.8570   1.8623  6.2303   1.3408  26.656  4.6242 27.870  3.1224 -1.214121      5.579659 
1 1 1 16 2  57 o 113.319 1.2698 100.852  2.2557  99.510   3.6492  101.681  2.8697  112.380 2.0714 113.717 1.6097 -1.336617      2.623318 
1 1 1 16 2  58 o 102.992 1.2284 83.308   1.9834  86.756   3.1495  81.042   2.5533  104.954 1.9142 101.511 1.6045 3.443512       2.497689 
1 1 1 16 2  59 o 26.493  2.7109 5.6148   1.1100  6.4187   1.5149  4.6827   1.6313  28.168  3.5066 23.730  4.5507 4.438000       5.744949 
1 1 1 16 2  60 o 22.851  3.2401 4.2370   1.1282  5.4189   1.5405  2.8697   1.6569  25.713  3.9479 18.513  5.3851 7.199850       6.677226 
1 1 1 16 2  61 o 17.813  4.0934 2.6536   1.1191  2.4359   1.4992  2.9276   1.6817  17.134  5.1584 18.654  5.4250 -1.519033      7.486026 
1 1 1 16 2  62 o 35.195  2.1039 9.8212   1.1555  9.7242   1.4862  9.9695   1.8372  34.882  2.7399 35.151  3.3756 -0.2685890     4.347622 
1 1 1 16 2  63 o 86.377  1.3633 58.696   1.8460  59.270   2.3777  57.825   2.9290  86.695  1.7495 85.488  2.1855 1.207092       2.799497 
1 1 1 16 2  64 o 32.232  2.2124 8.2669   1.1112  8.5040   1.4025  7.8673   1.8210  32.556  2.7745 30.981  3.8310 1.574810       4.730189 
1 1 1 16 2  65 o 71.942  1.5082 40.788   1.7010  43.565   2.6422  38.822   2.2229  74.099  2.2746 70.037  2.0246 4.061806       3.045091 
1 1 1 16 2  66 o 54.123  1.6534 23.124   1.4029  19.906   2.0206  26.119   1.9492  49.895  2.5922 57.376  2.1671 -7.480244      3.378749 
1 1 1 16 2  67 o 28.476  2.2782 6.4892   1.0085  7.4507   1.3673  5.3419   1.4936  30.338  2.9105 25.313  3.8884 5.025656       4.857012 
1 1 1 16 2  68 o 36.383  1.8795 10.515   1.0683  11.175   1.4453  9.7207   1.5862  37.328  2.4841 34.640  2.9490 2.687370       3.855831 
1 1 1 16 2  69 o 31.512  1.8901 7.9019   0.9294  7.9244   1.1828  7.8658   1.5027  31.407  2.4209 31.041  3.1309 0.3664951      3.957676 
1 1 1 16 2  70 o 28.558  2.9466 6.6477   1.3002  7.7031   2.0083  5.8860   1.7061  30.113  4.3827 26.304  4.2848 3.808840       6.129290 
1 1 1 16 2  71 o 21.684  3.7360 3.9643   1.2241  3.8475   1.9068  4.0462   1.5966  20.607  5.7070 21.450  4.8604 -0.8436642     7.496246 
1 1 1 16 2  72 o 15.742  4.3001 2.1470   1.0912  3.4663   1.9044  1.5020   1.3315  19.544  5.7980 13.832  4.9029 5.711839       7.593130 
1 1 1 16 2  73 o 18.721  4.3197 3.0518   1.2420  4.8396   2.0502  2.0154   1.5610  23.001  5.7119 15.501  5.3214 7.500123       7.806629 
1 1 1 16 2  74 o 33.592  3.1539 9.2828   1.6414  10.557   2.3300  8.0271   2.3128  35.153  4.3189 30.132  5.0766 5.020872       6.665154 
1 1 1 16 2  75 o 28.017  3.7082 6.6233   1.5887  7.4074   2.2029  5.7735   2.2933  28.835  5.0576 24.804  5.9697 4.030653       7.824103 
1 1 1 16 2  76 o 7.2930  3.5906 -2.7804  1.4497  -0.8706  2.0116  -4.8441  2.0911  11.082  5.0864 8.1432  4.0609 2.938698       6.508654 
1 1 1 16 2  77 o 12.604  5.0617 0.9632   1.5274  -0.6204  2.1255  2.6543   2.1965  11.611  5.2909 17.104  6.2662 -5.493308      8.201208 
1 1 1 16 3  0  o 9.4270  5.7755 0.5663   1.6354  0.5663   1.6354  0.5663   1.6354  9.4270  5.7755 9.4270  5.7755 -0.000000      0.000000 
1 1 1 16 3  1  o 157.036 1.5307 193.340  3.7682  195.962  5.3781  190.811  5.2812  158.078 2.1702 155.987 2.1597 2.091080       3.061720 
1 1 1 16 3  2  o 110.410 1.4346 95.572   2.4830  103.177  3.6410  88.960   3.3950  114.707 2.0248 106.511 2.0332 8.195755       2.869448 
1 1 1 16 3  3  o 18.028  4.2447 2.6551   1.1798  3.6804   1.6487  1.5790   1.6890  21.218  5.0326 15.416  5.5158 5.802294       7.466693 
1 1 1 16 3  4  o 404.128 2.6699 1281.07  16.915  1303.33  23.293  1256.24  24.603  407.496 3.6463 400.025 3.9233 7.471680       5.356122 
1 1 1 16 3  5  o 227.142 1.7420 404.533  6.2029  398.699  8.3010  411.908  9.3341  225.470 2.3485 229.160 2.5982 -3.690018      3.502316 
1 1 1 16 3  6  f 286.542 2.0305 643.849  9.1209  650.537  12.468  636.149  13.378  287.975 2.7618 284.753 2.9968 3.222137       4.075348 
1 1 1 16 3  7  o 103.666 1.3744 84.251   2.2335  84.685   3.0364  83.740   3.2970  103.924 1.8638 103.339 2.0352 0.5849915      2.759656 
1 1 1 16 3  8  o 187.392 1.6377 275.324  4.8111  282.338  6.9194  268.760  6.6940  189.737 2.3263 185.119 2.3067 4.617615       3.276014 
1 1 1 16 3  9  o 252.821 1.9490 501.211  7.7245  502.654  9.9907  499.066  12.180  253.151 2.5175 252.204 3.0806 0.9465332      3.978388 
1 1 1 16 3  10 o 92.210  1.4734 66.662   2.1298  72.170   3.1226  61.871   2.9124  95.933  2.0763 88.825  2.0915 7.108315       2.947142 
1 1 1 16 3  11 o 202.738 1.6289 322.266  5.1771  322.017  7.0002  322.566  7.6916  202.636 2.2036 202.798 2.4194 -0.1621399     3.272504 
1 1 1 16 3  12 o 270.068 1.9450 571.932  8.2346  570.795  11.151  573.295  12.212  269.754 2.6370 270.324 2.8816 -0.5704346     3.906077 
1 1 1 16 3  13 o 114.470 1.3758 102.729  2.4688  105.581  3.3830  99.479   3.6111  116.038 1.8597 112.631 2.0452 3.407196       2.764287 
1 1 1 16 3  14 o 231.396 1.7535 419.838  6.3607  410.996  8.4618  431.323  9.6446  228.916 2.3579 234.491 2.6236 -5.575546      3.527519 
1 1 1 16 3  15 o 128.898 1.3912 130.260  2.8111  131.264  3.8229  129.079  4.1480  129.383 1.8848 128.296 2.0624 1.086288       2.793907 
1 1 1 16 3  16 o 191.102 1.5781 286.337  4.7279  290.841  6.4706  281.178  6.9250  192.577 2.1433 189.342 2.3330 3.235092       3.168085 
1 1 1 16 3  17 o 383.451 2.5533 1153.37  15.348  1148.25  20.680  1159.64  22.901  382.483 3.4490 384.319 3.8011 -1.836334      5.132583 
1 1 1 16 3  18 o 142.530 1.4171 159.271  3.1663  155.018  4.2162  164.771  4.7952  140.600 1.9128 144.949 2.1103 -4.348969      2.848195 
1 1 1 16 3  19 o 199.816 1.7033 313.064  5.3354  324.141  7.7655  303.159  7.3429  203.283 2.4368 196.597 2.3825 6.686081       3.407963 
1 1 1 16 3  20 o 150.978 1.5206 178.721  3.5990  179.142  5.1135  178.307  5.0662  151.135 2.1582 150.783 2.1433 0.3518982      3.041649 
1 1 1 16 3  21 o 72.225  1.5209 40.900   1.7221  41.408   2.3179  40.273   2.5728  72.664  2.0348 71.656  2.2903 1.007744       3.063632 
1 1 1 16 3  22 o 132.240 1.4716 137.110  3.0508  137.885  4.2714  136.303  4.3590  132.596 2.0549 131.831 2.1092 0.7649536      2.944692 
1 1 1 16 3  23 o 112.139 1.5308 98.599   2.6912  98.736   3.5796  98.420   4.0813  112.204 2.0351 112.015 2.3242 0.1888351      3.089216 
1 1 1 16 3  24 o 114.456 1.4571 102.713  2.6144  105.193  3.7399  100.343  3.6562  115.812 2.0599 113.111 2.0619 2.701363       2.914589 
1 1 1 16 3  25 o 231.084 1.8440 418.767  6.6803  423.789  9.5205  413.897  9.3759  232.410 2.6131 229.682 2.6039 2.727753       3.688990 
1 1 1 16 3  26 o 107.683 1.6407 90.927   2.7697  88.857   3.4504  94.677   4.6441  106.438 2.0679 109.844 2.6970 -3.406044      3.398466 
1 1 1 16 3  27 o 49.166  2.1149 18.960   1.6301  18.144   2.1156  20.154   2.5574  47.999  2.8239 50.563  3.2434 -2.563576      4.300502 
1 1 1 16 3  28 f 156.331 1.5648 191.639  3.8349  188.604  4.8351  196.786  6.2967  155.069 1.9889 158.366 2.5363 -3.296707      3.223127 
1 1 1 16 3  29 o 15.818  5.0278 1.9304   1.4020  2.7005   1.7706  0.6359   2.2956  18.477  5.6157 15.049  6.1460 3.428674       8.325218 
1 1 1 16 3  30 o 57.361  2.0738 25.810   1.8649  24.913   2.3028  27.520   3.1787  56.343  2.6072 59.091  3.4463 -2.748226      4.321421 
1 1 1 16 3  31 o 138.052 1.7080 149.467  3.6964  149.000  4.6561  150.264  6.0791  137.814 2.1551 138.355 2.8028 -0.5415802     3.535549 
1 1 1 16 3  32 o 109.689 1.5768 94.355   2.7113  92.025   3.5690  97.536   4.1694  108.305 2.1021 111.487 2.3856 -3.182053      3.179596 
1 1 1 16 3  33 o 231.629 1.7830 420.831  6.4743  412.852  9.4433  427.908  8.8935  229.331 2.6267 233.500 2.4296 -4.169159      3.578031 
1 1 1 16 3  34 o 47.732  1.8827 17.874   1.4088  15.846   2.0169  19.805   1.9687  44.827  2.8854 50.230  2.5002 -5.403149      3.817933 
1 1 1 16 3  35 o 106.938 1.4134 89.682   2.3694  88.898   3.5033  90.343   3.2167  106.437 2.0996 107.308 1.9122 -0.8716660     2.839819 
1 1 1 16 3  36 o 44.357  1.9661 15.439   1.3672  15.236   2.0000  15.618   1.8731  43.940  2.9202 44.510  2.6971 -0.5708160     3.975154 
1 1 1 16 3  37 o 58.132  1.5952 26.509   1.4537  24.779   1.9811  28.528   2.1399  56.181  2.2493 60.280  2.2644 -4.099194      3.191750 
1 1 1 16 3  38 o 165.840 1.4979 215.745  3.8943  205.157  5.4909  226.460  5.5239  161.652 2.1667 169.849 2.0746 -8.196854      2.999778 
1 1 1 16 3  39 o 151.283 1.4620 179.538  3.4674  182.532  5.0778  176.923  4.7462  152.470 2.1244 150.122 2.0167 2.348190       2.929218 
1 1 1 16 3  40 o 104.578 1.4465 85.801   2.3714  86.949   3.3006  84.576   3.4094  105.233 2.0007 103.779 2.0956 1.454033       2.897333 
1 1 1 16 3  41 o 31.584  2.6848 7.9014   1.3167  11.084   1.7416  3.6546   2.0118  37.408  2.9949 21.112  5.8674 16.29554       6.587570 
1 1 1 16 3  42 o 105.026 1.4890 86.558   2.4516  87.583   3.0752  84.771   4.0609  105.613 1.8574 103.830 2.4948 1.782539       3.110308 
1 1 1 16 3  43 o 53.937  1.8153 22.845   1.5349  24.489   1.9864  20.408   2.4181  55.816  2.2702 50.804  3.0503 5.011955       3.802382 
1 1 1 16 3  44 o 140.706 1.5334 155.404  3.3823  153.234  4.4756  158.294  5.1648  139.643 2.0444 141.878 2.3221 -2.234879      3.093883 
1 1 1 16 3  45 o 46.868  1.7621 17.252   1.2947  17.503   1.7713  16.964   1.8970  47.106  2.4066 46.345  2.6218 0.7602654      3.558892 
1 1 1 16 3  46 o 56.701  1.5773 25.244   1.4021  26.141   1.9934  24.367   1.9723  57.651  2.2057 55.656  2.2605 1.995159       3.158326 
1 1 1 16 3  47 o 65.098  1.4584 33.269   1.4884  33.449   2.0931  33.085   2.1168  65.223  2.0471 64.864  2.0817 0.3592148      2.919588 
1 1 1 16 3  48 o 19.871  3.3006 3.2030   0.9921  3.6245   1.3592  2.7225   1.4514  20.983  4.2770 18.166  4.9580 2.816776       6.547905 
1 1 1 16 3  49 o 38.718  1.8943 11.786   1.1498  12.079   1.6026  11.475   1.6506  39.054  2.6329 38.037  2.7876 1.016483       3.834432 
1 1 1 16 3  50 o 77.851  1.3707 47.586   1.6728  47.237   2.3112  47.970   2.4244  77.504  1.9022 78.092  1.9803 -0.5881500     2.745898 
1 1 1 16 3  51 o 39.134  2.0085 12.081   1.2280  13.158   1.8337  11.206   1.6536  40.710  2.8921 37.564  2.8288 3.146648       4.045487 
1 1 1 16 3  52 o 37.641  2.0361 11.184   1.1970  11.867   1.8106  10.653   1.5954  38.622  3.0143 36.618  2.8005 2.003288       4.114444 
1 1 1 16 3  53 o 45.509  1.8186 16.290   1.2974  16.855   1.9398  15.832   1.7452  46.120  2.6948 44.728  2.4989 1.391670       3.675123 
1 1 1 16 3  54 o 33.016  2.3689 8.6405   1.2180  8.2884   1.8366  8.9168   1.6272  32.068  3.7226 33.403  3.1445 -1.335121      4.872953 
1 1 1 16 3  55 o 101.959 1.3526 81.660   2.1620  81.393   3.0877  81.918   3.0282  101.678 1.9371 102.015 1.8935 -0.3370743     2.708825 
1 1 1 16 3  56 o 78.544  1.3748 48.471   1.6929  50.393   2.4917  46.823   2.3071  79.984  1.9872 77.113  1.9085 2.870682       2.755207 
1 1 1 16 3  57 o 83.201  1.3051 54.384   1.7022  54.787   2.5886  54.077   2.2594  83.384  1.9803 82.892  1.7387 0.4918060      2.635268 
1 1 1 16 3  58 f 51.158  1.5395 20.585   1.2347  19.604   1.8546  21.366   1.6546  49.807  2.3753 52.054  2.0276 -2.247463      3.123034 
1 1 1 16 3  59 o 43.397  1.6808 14.828   1.1435  16.145   1.7655  13.876   1.5009  45.094  2.5073 41.840  2.2970 3.254490       3.400440 
1 1 1 16 3  60 f 33.321  2.1625 8.8084   1.1235  6.5492   1.5475  11.327   1.6337  28.395  3.5543 37.666  2.7866 -9.271029      4.516451 
1 1 1 16 3  61 o 73.928  1.4218 43.000   1.6477  41.303   2.3171  44.735   2.3436  72.311  2.0440 75.271  1.9861 -2.959961      2.850043 
1 1 1 16 3  62 o 71.901  1.6489 40.745   1.8585  39.858   2.6152  41.650   2.6418  70.913  2.3524 72.499  2.3244 -1.585548      3.307098 
1 1 1 16 3  63 o 44.856  1.9060 15.898   1.3403  18.916   1.8080  12.216   1.9972  48.825  2.3621 38.880  3.3082 9.945076       4.064895 
1 1 1 16 3  64 o 42.024  1.8968 13.963   1.2496  13.472   1.5252  14.967   2.1794  41.111  2.3766 43.035  3.2544 -1.924274      4.029863 
1 1 1 16 3  65 o 15.181  4.2235 1.9501   1.0418  1.9213   1.3407  1.9939   1.6553  15.264  4.9235 15.832  5.4771 -0.5676613     7.364755 
1 1 1 16 3  66 o 16.888  4.5451 2.4507   1.2298  0.3978   1.7335  4.5310   1.7451  12.442  5.2328 22.839  5.0115 -10.39755      7.245471 
1 1 1 16 3  67 o 19.446  3.5769 3.1683   1.0502  4.2737   1.3432  1.4297   1.6845  22.524  3.9480 14.391  5.4452 8.132755       6.725852 
1 1 1 16 3  68 o 15.555  4.0986 2.0740   1.0134  1.6871   1.2677  2.7593   1.6870  14.357  4.7964 17.756  5.4970 -3.399075      7.295357 
1 1 1 16 3  69 o 15.683  3.8077 2.1018   0.9267  2.4767   1.1934  1.5324   1.4709  16.890  4.4463 14.181  5.1381 2.709148       6.794822 
1 1 1 16 3  70 o 36.790  1.9903 10.794   1.1436  12.986   1.5873  8.4277   1.6492  40.156  2.5345 31.988  3.3379 8.167927       4.191069 
1 1 1 16 3  71 o 38.978  2.2252 12.171   1.3541  10.720   2.1996  13.057   1.7182  35.724  3.9961 40.153  2.7461 -4.428410      4.848767 
1 1 1 16 3  72 o 48.907  1.9111 19.022   1.4653  19.991   2.4423  18.477   1.8315  49.430  3.1685 47.924  2.4459 1.506348       4.002733 
1 1 1 16 3  73 o 40.719  2.3463 13.340   1.4914  14.650   2.2493  12.312   1.9922  42.071  3.4406 38.617  3.3231 3.453499       4.783405 
1 1 1 16 3  74 o 53.880  2.3100 23.308   1.9512  23.639   2.5368  22.829   3.0531  53.735  3.0237 52.209  3.7554 1.526264       4.821376 
1 1 1 16 3  75 o 23.328  4.2792 4.7595   1.5073  7.3535   2.1118  2.0656   2.1520  28.730  4.8622 16.003  6.1308 12.72706       7.824805 
1 1 1 16 3  76 o 28.230  3.6660 6.7875   1.5841  9.2447   2.2885  4.5273   2.1949  32.277  4.6576 21.473  6.1843 10.80348       7.742004 
1 1 1 16 4  0  f 84.021  2.1315 55.454   2.8035  55.454   2.8035  55.454   2.8035  84.021  2.1315 84.021  2.1315 0.000000       0.000000 
1 1 1 16 4  1  o 59.579  1.7256 27.833   1.6117  28.114   2.3002  27.562   2.2591  59.870  2.4507 59.279  2.4309 0.5907631      3.451889 
1 1 1 16 4  2  o 155.629 1.5356 189.897  3.7466  190.902  5.3282  188.914  5.2692  156.020 2.1784 155.206 2.1656 0.8139801      3.071728 
1 1 1 16 4  3  o 200.433 1.7072 314.993  5.3643  310.189  7.4861  320.064  7.6905  198.868 2.4012 202.007 2.4285 -3.139160      3.415174 
1 1 1 16 4  4  o 93.577  1.4720 68.653   2.1595  68.290   3.0418  69.022   3.0662  93.318  2.0793 93.817  2.0848 -0.4988937     2.944458 
1 1 1 16 4  5  o 45.124  2.0634 15.968   1.4596  17.529   2.0791  14.450   2.0497  47.185  2.8237 42.804  3.0751 4.381741       4.174855 
1 1 1 16 4  6  o 172.416 1.6001 233.078  4.3249  232.422  6.0928  233.744  6.1403  172.149 2.2576 172.637 2.2688 -0.4884186     3.200702 
1 1 1 16 4  7  o 139.208 1.4961 151.936  3.2650  147.766  4.5469  156.376  4.6914  137.267 2.1130 141.210 2.1193 -3.942520      2.992647 
1 1 1 16 4  8  o 221.278 1.8021 383.936  6.2512  383.986  8.8364  383.887  8.8447  221.252 2.5476 221.224 2.5503 0.2861023E-01  3.604797 
1 1 1 16 4  9  o 165.286 1.6590 214.206  4.2986  225.059  5.9665  202.493  6.1985  169.400 2.2467 160.674 2.4608 8.725952       3.332204 
1 1 1 16 4  10 o 16.768  4.6746 2.2723   1.2749  2.9087   1.8299  1.6720   1.7773  19.116  5.6864 15.834  5.6590 3.281523       8.022424 
1 1 1 16 4  11 o 50.956  1.7742 20.360   1.4173  18.365   1.9055  22.830   2.1205  48.321  2.5242 53.950  2.5072 -5.628754      3.557767 
1 1 1 16 4  12 o 190.185 1.6666 283.606  4.9690  284.050  7.0113  283.158  7.0431  190.303 2.3502 190.003 2.3645 0.2995453      3.333834 
1 1 1 16 4  13 o 269.131 2.0434 568.023  8.6212  570.288  11.181  564.703  13.539  269.622 2.6453 268.246 3.2196 1.376801       4.166933 
1 1 1 16 4  14 o 353.395 2.3933 979.585  13.259  968.268  17.751  993.867  19.942  351.249 3.2238 355.811 3.5751 -4.562134      4.813938 
1 1 1 16 4  15 o 159.302 1.4799 198.967  3.6958  199.828  5.0225  197.951  5.4579  159.628 2.0070 158.869 2.1914 0.7591858      2.971639 
1 1 1 16 4  16 o 284.882 2.0309 636.466  9.0699  657.112  12.629  614.477  13.034  289.401 2.7838 279.836 2.9710 9.564667       4.071400 
1 1 1 16 4  17 o 158.862 1.4825 197.871  3.6921  202.154  5.0693  193.032  5.3881  160.553 2.0141 156.881 2.1908 3.671631       2.975942 
1 1 1 16 4  18 o 131.800 1.4266 136.197  2.9476  137.095  4.0165  135.150  4.3391  132.219 1.9378 131.272 2.1085 0.9472504      2.863711 
1 1 1 16 4  19 o 89.086  1.4399 62.225   2.0110  59.807   2.6887  65.294   3.0297  87.328  1.9640 91.242  2.1181 -3.914383      2.888498 
1 1 1 16 4  20 o 17.630  4.3381 2.5397   1.1908  2.8569   1.6660  2.2085   1.7027  18.833  5.3769 17.064  5.5523 1.768797       7.729107 
1 1 1 16 4  21 o 122.207 1.3724 117.092  2.6292  113.178  3.6171  121.477  3.8282  120.131 1.9207 124.457 1.9621 -4.325119      2.745708 
1 1 1 16 4  22 o 134.390 1.3800 141.605  2.9073  142.775  4.0880  140.407  4.1356  134.926 1.9327 133.801 1.9716 1.125000       2.760883 
1 1 1 16 4  23 o 215.013 1.6314 362.515  5.4988  359.205  7.6704  366.015  7.8871  213.988 2.2865 216.004 2.3292 -2.015808      3.263931 
1 1 1 16 4  24 o 70.184  1.5241 38.624   1.6768  38.914   2.3115  38.301   2.4362  70.436  2.0934 69.876  2.2240 0.5604477      3.054253 
1 1 1 16 4  25 o 8.7925  3.9499 -0.5585  1.1350  -1.1309  1.5378  0.1264   1.6822  9.6990  4.4500 12.248  5.1532 -2.548682      6.808661 
1 1 1 16 4  26 o 110.451 1.3744 95.654   2.3798  93.342   3.3012  98.156   3.4337  109.091 1.9303 111.868 1.9580 -2.776657      2.749490 
1 1 1 16 4  27 f 113.604 1.3692 101.194  2.4384  100.232  3.3963  102.218  3.5031  113.045 1.9165 114.158 1.9575 -1.113075      2.739443 
1 1 1 16 4  28 o 196.984 1.5627 304.288  4.8258  307.419  6.8452  301.193  6.8043  197.951 2.2059 195.935 2.2152 2.015549       3.126185 
1 1 1 16 4  29 o 165.672 1.5883 215.248  4.1252  214.622  6.3643  215.701  5.4173  165.374 2.4549 165.817 2.0840 -0.4425354     3.220171 
1 1 1 16 4  30 o 214.863 1.7835 362.107  6.0075  355.606  8.3305  369.152  8.6717  212.857 2.4965 216.867 2.5507 -4.009979      3.569082 
1 1 1 16 4  31 o 53.866  1.7983 22.759   1.5185  25.526   2.2257  20.350   2.0770  57.027  2.4896 50.847  2.6145 6.179657       3.610240 
1 1 1 16 4  32 o 131.694 1.5992 136.026  3.3015  133.743  4.7312  138.193  4.6093  130.540 2.3119 132.701 2.2157 -2.161133      3.202247 
1 1 1 16 4  33 o 61.180  1.8303 29.365   1.7554  30.327   2.4709  28.385   2.4944  62.149  2.5361 60.122  2.6465 2.027172       3.665494 
1 1 1 16 4  34 o 181.285 1.7371 257.825  4.9368  259.748  6.0209  253.880  8.6244  181.922 2.1112 179.729 3.0609 2.193542       3.718386 
1 1 1 16 4  35 o 51.273  2.1349 20.636   1.7160  20.276   1.8507  22.844   4.5822  50.817  2.3231 53.446  5.5499 -2.629345      6.016525 
1 1 1 16 4  36 o 63.357  1.9180 31.505   1.9051  31.178   2.0564  33.481   5.0593  63.021  2.0815 64.884  5.0128 -1.862789      5.427786 
1 1 1 16 4  37 o 80.547  1.7457 50.913   2.2043  51.484   2.6264  49.552   4.0545  80.978  2.0689 79.348  3.2595 1.630394       3.860626 
1 1 1 16 4  38 o 95.440  1.6856 71.483   2.5220  70.468   2.9881  73.996   4.7020  94.736  2.0120 96.965  3.0933 -2.228966      3.690044 
1 1 1 16 4  39 o 92.457  1.6578 67.091   2.4028  65.569   3.3444  68.715   3.4544  91.345  2.3355 93.509  2.3565 -2.163506      3.317753 
1 1 1 16 4  40 o 164.700 1.7855 212.967  4.6100  209.830  7.3356  215.015  5.9266  163.274 2.8659 165.404 2.2856 -2.130035      3.665736 
1 1 1 16 4  41 o 158.848 1.6585 198.083  4.1301  198.060  7.0693  198.095  5.0888  158.605 2.8432 158.790 2.0443 -0.1851044     3.501842 
1 1 1 16 4  42 o 65.259  1.6472 33.436   1.6851  34.159   2.6986  32.973   2.1575  65.880  2.6129 64.771  2.1248 1.108810       3.367785 
1 1 1 16 4  43 o 88.487  1.5064 61.464   2.0896  60.873   3.3251  61.850   2.6864  87.960  2.4113 88.723  1.9314 -0.7624435     3.089490 
1 1 1 16 4  44 o 27.412  2.7075 5.9767   1.1483  7.0543   1.6796  5.0308   1.5735  29.637  3.6953 24.856  4.1871 4.781227       5.584529 
1 1 1 16 4  45 o 57.028  1.5624 25.538   1.3968  27.740   1.9647  23.288   1.9861  59.392  2.1102 54.398  2.3290 4.993298       3.142813 
1 1 1 16 4  46 o 25.373  2.9480 5.1480   1.1508  5.7895   1.4944  4.2135   1.8038  26.798  3.6524 22.508  5.2142 4.289190       6.366147 
1 1 1 16 4  47 o 71.828  1.5788 40.525   1.7777  42.583   2.8782  39.255   2.2604  73.515  2.4975 70.645  2.0411 2.870049       3.225396 
1 1 1 16 4  48 o 76.957  1.3970 46.502   1.6854  47.996   2.3686  44.970   2.3986  78.121  1.9340 75.606  2.0237 2.514999       2.799268 
1 1 1 16 4  49 o 35.566  2.1666 9.9950   1.2022  10.737   1.5927  9.0117   1.8328  36.775  2.7833 33.531  3.5403 3.244682       4.503387 
1 1 1 16 4  50 o 76.248  1.4772 45.669   1.7658  46.333   2.6290  45.123   2.3834  76.702  2.1864 75.723  2.0078 0.9799347      2.968399 
1 1 1 16 4  51 o 68.725  1.5217 37.110   1.6395  37.147   2.4303  37.079   2.2210  68.661  2.2579 68.627  2.0644 0.3363037E-01  3.059368 
1 1 1 16 4  52 o 15.796  4.3042 2.0602   1.0949  1.7010   1.5442  2.4234   1.5527  15.223  5.2889 17.262  5.2614 -2.039749      7.460238 
1 1 1 16 4  53 o 82.900  1.5580 54.019   2.0247  55.993   2.7912  51.826   2.9416  84.303  2.1120 81.064  2.3147 3.239090       3.133437 
1 1 1 16 4  54 o 57.916  1.7660 26.392   1.6034  26.456   2.2020  26.320   2.3394  57.889  2.4265 57.711  2.5858 0.1772995      3.545980 
1 1 1 16 4  55 o 33.237  2.4593 8.7739   1.2723  10.213   1.7544  7.1772   1.8478  35.729  3.1650 29.680  4.0790 6.049002       5.162923 
1 1 1 16 4  56 o 22.496  3.4214 4.1186   1.1686  3.4161   1.5772  4.9736   1.7400  20.139  5.0148 24.431  4.7138 -4.291941      6.882455 
1 1 1 16 4  57 o 38.458  2.2241 11.718   1.3352  10.982   1.8419  12.532   1.9382  37.013  3.2060 39.569  3.1507 -2.555981      4.495031 
1 1 1 16 4  58 o 18.074  3.9177 2.7209   1.0780  2.9497   1.5128  2.4848   1.5365  18.694  5.0451 17.309  5.2247 1.384321       7.263015 
1 1 1 16 4  59 o 17.449  3.9602 2.5455   1.0585  2.9196   1.4560  2.1262   1.5414  18.573  4.9216 16.247  5.2827 2.325968       7.220029 
1 1 1 16 4  60 o 38.052  1.9976 11.467   1.1875  14.050   1.7203  9.1169   1.6411  41.981  2.6272 33.646  3.1480 8.334614       4.100243 
1 1 1 16 4  61 f 32.238  2.1882 8.2648   1.0994  9.2591   1.6500  7.4709   1.4743  33.885  3.1419 30.409  3.1376 3.475395       4.440299 
1 1 1 16 4  62 o 22.465  3.2611 4.1296   1.1150  3.9474   1.6158  4.2952   1.5405  21.465  4.9085 22.531  4.5187 -1.065514      6.671700 
1 1 1 16 4  63 o 95.697  1.3654 72.118   2.0484  72.426   2.9229  71.820   2.8715  95.672  1.9488 95.283  1.9224 0.3888245      2.737425 
1 1 1 16 4  64 o 38.164  2.0918 11.587   1.2467  11.838   1.7109  11.301   1.8205  38.334  2.8678 37.350  3.1383 0.9836922      4.251263 
1 1 1 16 4  65 o 28.655  2.7949 6.6436   1.2395  4.5014   1.6413  9.4872   1.8910  22.850  4.7375 33.970  3.6062 -11.12013      5.953854 
1 1 1 16 4  66 f 39.645  2.0753 12.522   1.2853  11.286   1.6826  14.254   1.9915  37.343  2.8969 41.921  3.0513 -4.577885      4.207444 
1 1 1 16 4  67 o 13.928  4.5034 1.6075   1.1212  0.4807   1.4380  3.3546   1.7905  11.646  4.8216 19.379  5.5868 -7.733269      7.379747 
1 1 1 16 4  68 o 18.352  3.6285 2.8497   1.0069  3.7906   1.2411  1.0380   1.7223  21.137  3.8889 13.518  5.3936 7.619118       6.649406 
1 1 1 16 4  69 o 59.299  1.7624 27.885   1.6383  27.093   2.2649  28.754   2.3728  58.119  2.4858 59.850  2.5290 -1.730492      3.546125 
1 1 1 16 4  70 o 24.419  3.9800 5.0655   1.4711  7.8265   2.4729  3.5533   1.8301  29.538  5.5441 19.767  5.6328 9.770962       7.903499 
1 1 1 16 4  71 o 28.542  3.4354 6.7734   1.5063  5.5672   2.4452  7.5111   1.9121  24.275  6.3520 29.659  4.2326 -5.383520      7.632977 
1 1 1 16 4  72 o 8.8339  4.0082 -0.5318  1.2032  -1.7269  1.8996  0.2688   1.5548  9.8813  4.6680 11.463  4.8938 -1.581529      6.763077 
1 1 1 16 4  73 o 19.709  4.5205 3.4437   1.3670  1.9830   1.9744  4.7884   1.8944  15.713  5.9064 22.848  5.3783 -7.134950      7.988204 
1 1 1 16 4  74 o 30.463  3.3850 7.7692   1.5892  8.3958   2.1067  6.9416   2.4208  30.990  4.4652 27.147  5.8602 3.843355       7.367442 
1 1 1 16 4  75 o 11.561  4.8599 0.5031   1.4940  -1.3807  1.9711  3.0464   2.2903  10.311  4.8347 17.935  6.4225 -7.623360      8.038840 
1 1 1 16 5  0  o 72.727  2.3549 41.601   2.6785  41.601   2.6785  41.601   2.6785  72.727  2.3549 72.727  2.3549 0.000000       0.000000 
1 1 1 16 5  1  o 52.890  1.8992 21.936   1.5747  21.274   2.2101  22.619   2.2443  52.003  2.7205 53.695  2.6662 -1.692879      3.809104 
1 1 1 16 5  2  o 175.553 1.6275 241.645  4.4790  231.437  6.1406  253.251  6.5476  171.779 2.2803 179.690 2.3244 -7.910889      3.256124 
1 1 1 16 5  3  o 236.922 1.8912 440.173  7.0243  426.204  9.6659  455.806  10.225  233.085 2.6453 241.039 2.7061 -7.953903      3.784262 
1 1 1 16 5  4  o 232.046 1.8740 422.238  6.8170  417.245  9.5285  427.474  9.7569  230.622 2.6355 233.430 2.6663 -2.807449      3.748996 
1 1 1 16 5  5  o 347.103 2.4849 945.074  13.521  929.091  18.807  962.174  19.453  344.030 3.4871 350.093 3.5445 -6.062866      4.972268 
1 1 1 16 5  6  o 248.996 1.9565 486.197  7.6370  467.680  10.453  507.394  11.184  244.154 2.7311 254.303 2.8054 -10.14885      3.915298 
1 1 1 16 5  7  o 254.018 1.9782 506.012  7.8775  500.582  11.030  511.664  11.254  252.591 2.7856 255.370 2.8111 -2.778427      3.957503 
1 1 1 16 5  8  o 204.615 1.7474 328.294  5.6050  323.272  7.8005  333.655  8.0592  203.007 2.4511 206.238 2.4927 -3.231735      3.495888 
1 1 1 16 5  9  o 199.968 1.6527 313.541  5.1808  310.150  7.5761  316.519  7.1006  198.844 2.4304 200.886 2.2547 -2.041687      3.315214 
1 1 1 16 5  10 o 61.636  1.8224 29.790   1.7609  33.706   2.8540  27.383   2.2376  65.543  2.7776 59.084  2.4158 6.459602       3.681226 
1 1 1 16 5  11 o 56.504  1.8500 25.036   1.6387  28.253   2.6049  22.930   2.1080  60.007  2.7691 54.065  2.4872 5.942699       3.722062 
1 1 1 16 5  12 o 184.630 1.5949 267.283  4.6162  272.825  6.9071  262.809  6.2058  186.497 2.3625 183.053 2.1625 3.444412       3.202795 
1 1 1 16 5  13 o 298.213 2.2203 697.527  10.380  692.260  14.510  703.046  14.854  296.991 3.1166 299.290 3.1659 -2.298584      4.442546 
1 1 1 16 5  14 o 321.711 2.2369 811.798  11.282  796.129  16.335  826.086  15.599  318.469 3.2720 324.434 3.0671 -5.964600      4.484731 
1 1 1 16 5  15 o 162.301 1.4571 206.534  3.7073  206.690  5.2196  206.374  5.2665  162.339 2.0510 162.214 2.0710 0.1251373      2.914696 
1 1 1 16 5  16 o 117.649 1.3869 108.522  2.5579  110.039  3.6007  106.977  3.6344  118.453 1.9390 116.792 1.9850 1.661659       2.774941 
1 1 1 16 5  17 o 214.284 1.6397 360.058  5.5083  365.885  7.8518  354.410  7.7294  215.970 2.3191 212.556 2.3196 3.413727       3.280086 
1 1 1 16 5  18 o 333.836 2.2068 874.182  11.549  867.456  16.214  881.110  16.455  332.432 3.1112 335.035 3.1329 -2.602600      4.415251 
1 1 1 16 5  19 o 90.416  1.5022 64.100   2.1293  66.510   3.1491  62.070   2.8901  92.082  2.1815 88.959  2.0724 3.123657       3.008930 
1 1 1 16 5  20 o 98.575  1.4089 76.189   2.1772  76.913   3.0496  75.437   3.1093  99.028  1.9644 98.072  2.0224 0.9562149      2.819401 
1 1 1 16 5  21 o 126.230 1.3886 124.935  2.7479  127.871  3.8974  122.032  3.8750  127.686 1.9470 124.735 1.9817 2.950424       2.778131 
1 1 1 16 5  22 o 162.134 1.4572 206.122  3.7038  206.401  5.2162  205.839  5.2601  162.215 2.0512 161.993 2.0713 0.2221375      2.915091 
1 1 1 16 5  23 f 108.060 1.3278 91.556   2.2493  93.032   3.0699  89.846   3.3051  108.914 1.7980 107.026 1.9699 1.887527       2.667063 
1 1 1 16 5  24 o 89.897  1.5036 63.372   2.1191  67.003   2.6619  57.089   3.5015  92.428  1.8371 85.289  2.6188 7.138519       3.198949 
1 1 1 16 5  25 f 252.287 1.7347 499.186  6.8607  498.388  9.3132  500.132  10.145  252.025 2.3572 252.441 2.5636 -0.4163971     3.482601 
1 1 1 16 5  26 o 129.351 1.3887 131.199  2.8159  133.029  3.9436  129.296  4.0222  130.227 1.9317 128.383 1.9985 1.843231       2.779476 
1 1 1 16 5  27 o 171.612 1.5482 230.961  4.1651  229.429  5.5844  232.883  6.2527  171.007 2.0831 172.271 2.3153 -1.263977      3.114448 
1 1 1 16 5  28 o 120.469 1.4918 113.813  2.8174  113.615  3.6134  114.121  4.4998  120.345 1.9153 120.586 2.3804 -0.2411270     3.055238 
1 1 1 16 5  29 f 189.191 1.8526 280.790  5.4945  280.191  6.9371  281.799  9.0004  188.943 2.3420 189.400 3.0313 -0.4575043     3.830655 
1 1 1 16 5  30 o 113.855 1.5666 101.672  2.7961  100.726  3.4056  103.628  4.8980  113.306 1.9173 114.872 2.7199 -1.566078      3.327708 
1 1 1 16 5  31 o 156.310 1.6322 191.655  3.9996  192.056  4.9116  190.867  6.8911  156.444 2.0027 155.873 2.8201 0.5707703      3.458838 
1 1 1 16 5  32 o 120.761 1.6257 114.400  3.0777  119.704  3.9953  106.660  4.8267  123.498 2.0637 116.527 2.6422 6.971138       3.352603 
1 1 1 16 5  33 o 102.400 1.5288 82.256   2.4542  78.789   3.4687  85.730   3.4728  100.177 2.2088 104.503 2.1198 -4.325958      3.061423 
1 1 1 16 5  34 o 72.877  1.5187 41.665   1.7351  42.384   2.5009  40.998   2.4092  73.471  2.1713 72.263  2.1267 1.208069       3.039335 
1 1 1 16 5  35 o 71.095  1.5007 39.655   1.6726  38.402   2.3649  40.908   2.3658  69.930  2.1573 72.180  2.0908 -2.249870      3.004211 
1 1 1 16 5  36 o 38.435  2.0523 11.634   1.2321  12.471   1.6923  10.689   1.7974  39.730  2.7338 36.714  3.1534 3.015606       4.173416 
1 1 1 16 5  37 o 108.691 1.3552 92.682   2.3092  94.174   3.2295  91.121   3.3032  109.518 1.8810 107.721 1.9560 1.796989       2.713728 
1 1 1 16 5  38 o 9.9865  4.2046 0.0900   1.1211  0.3512   1.4508  -0.2974  1.7665  11.820  4.8633 11.762  5.1199 0.5755901E-01  7.061503 
1 1 1 16 5  39 o 62.015  1.6221 30.190   1.5770  30.333   2.0432  29.980   2.4801  62.131  2.0978 61.731  2.5627 0.3998222      3.311831 
1 1 1 16 5  40 f 48.008  1.8509 18.104   1.3930  17.835   1.8138  18.489   2.1750  47.553  2.4413 48.361  2.8820 -0.8080101     3.777005 
1 1 1 16 5  41 f 85.168  1.4625 56.936   1.9527  57.972   2.5594  55.494   3.0207  85.898  1.9006 83.997  2.2940 1.901215       2.979077 
1 1 1 16 5  42 o 72.289  1.4960 41.025   1.6953  44.506   2.2865  36.775   2.5264  75.254  1.9382 68.363  2.3574 6.890854       3.051880 
1 1 1 16 5  43 o 46.643  1.9221 17.100   1.4055  17.220   1.7562  16.886   2.3438  46.709  2.4066 46.118  3.2630 0.5909462      4.054515 
1 1 1 16 5  44 o 110.043 1.4899 95.086   2.5702  94.560   3.2598  95.950   4.1786  109.679 1.8959 110.384 2.4147 -0.7052383     3.070091 
1 1 1 16 5  45 o 19.591  4.5227 3.1796   1.3609  3.2166   1.6360  3.0964   2.4520  19.684  5.2175 19.972  6.6707 -0.2879238     8.468783 
1 1 1 16 5  46 o 118.573 1.6935 110.485  3.1478  114.167  4.5009  106.960  4.4041  120.382 2.3850 116.513 2.4112 3.868118       3.391450 
1 1 1 16 5  47 o 73.729  1.8725 42.750   2.1643  44.025   2.9177  41.190   3.2272  74.726  2.4906 72.215  2.8507 2.511162       3.785428 
1 1 1 16 5  48 o 10.408  4.3792 0.1271   1.2149  -0.7157  1.7795  0.8628   1.6627  11.110  4.9716 13.502  5.3270 -2.391801      7.286520 
1 1 1 16 5  49 o 65.368  1.7479 33.599   1.7912  33.908   2.3933  33.205   2.7006  65.588  2.3277 64.850  2.6564 0.7382736      3.531954 
1 1 1 16 5  50 o 18.648  4.0497 2.8781   1.1500  3.6108   1.6214  2.1366   1.6312  20.776  5.0318 16.540  5.4372 4.235783       7.408237 
1 1 1 16 5  51 o 75.726  1.5720 45.076   1.8662  43.689   2.6503  46.440   2.6282  74.438  2.2712 76.763  2.1840 -2.325096      3.150897 
1 1 1 16 5  52 o 20.794  3.6891 3.5429   1.1585  4.8812   1.6692  2.2991   1.6092  24.283  4.5521 16.934  5.3870 7.348797       7.052762 
1 1 1 16 5  53 o 84.434  1.5081 56.044   1.9962  52.694   2.8088  59.464   2.8375  81.739  2.1920 86.857  2.0839 -5.118141      3.024499 
1 1 1 16 5  54 o 55.817  1.7749 24.527   1.5531  26.637   2.3628  22.921   2.0609  58.026  2.5974 53.856  2.4411 4.170151       3.564455 
1 1 1 16 5  55 o 40.400  2.0914 12.910   1.3200  13.040   1.8818  12.783   1.8521  40.416  2.9913 40.017  2.9736 0.3986282      4.217855 
1 1 1 16 5  56 o 74.479  1.4799 43.632   1.7279  43.514   2.5824  43.727   2.3250  74.218  2.2195 74.456  1.9919 -0.2378845     2.982241 
1 1 1 16 5  57 o 47.185  1.7920 17.548   1.3256  17.010   1.9572  18.003   1.8017  46.216  2.7133 47.626  2.4211 -1.410397      3.636455 
1 1 1 16 5  58 o 38.688  2.1006 11.862   1.2692  12.394   1.8356  11.375   1.7568  39.328  3.0000 37.667  3.0001 1.660946       4.242706 
1 1 1 16 5  59 o 32.981  2.3059 8.6586   1.1848  9.9964   1.8151  7.6654   1.5638  35.173  3.3316 30.773  3.2928 4.399513       4.684191 
1 1 1 16 5  60 o 8.5271  3.7855 -0.3106  1.0106  0.7346   1.5517  -1.0805  1.3317  12.698  5.1009 8.7248  4.0520 3.973366       6.514411 
1 1 1 16 5  61 o 11.498  4.2465 0.8811   1.0118  1.4494   1.5006  0.4075   1.3700  14.225  5.1843 11.411  4.7139 2.813913       7.007032 
1 1 1 16 5  62 o 37.141  2.0698 10.966   1.2004  10.201   1.6573  11.811   1.7409  35.541  3.0027 38.289  2.9223 -2.748386      4.190000 
1 1 1 16 5  63 o 10.155  4.2693 0.2047   1.1531  0.3153   1.4647  0.0243   1.8703  11.472  4.8166 12.222  5.2939 -0.7498293     7.157184 
1 1 1 16 5  64 o 43.146  1.9311 14.760   1.3061  13.690   1.7600  16.071   1.9486  41.231  2.7386 44.662  2.7972 -3.430733      3.914622 
1 1 1 16 5  65 o 60.426  1.7036 28.896   1.6138  29.916   2.2766  27.865   2.2880  61.209  2.3726 59.027  2.4725 2.181858       3.426736 
1 1 1 16 5  66 o 31.121  2.3950 7.7879   1.1595  8.1693   1.6517  7.4174   1.6281  31.487  3.4000 29.928  3.5387 1.559286       4.907391 
1 1 1 16 5  67 o 34.271  2.2385 9.4150   1.1960  11.126   1.6954  7.7198   1.6875  36.977  2.9492 30.477  3.6017 6.499374       4.655078 
1 1 1 16 5  68 o 17.953  4.1979 2.7949   1.1603  2.7105   1.4808  2.9293   1.8676  17.485  5.0924 18.104  5.8080 -0.6184216     7.724344 
1 1 1 16 5  69 o 24.360  2.8507 4.8614   1.0681  4.5783   1.3035  5.4400   1.8633  23.300  3.6915 24.803  4.9652 -1.503267      6.187123 
1 1 1 16 5  70 o 29.494  2.7111 7.0820   1.2395  7.7081   1.6204  6.1988   1.9245  30.440  3.4569 26.566  4.7975 3.873631       5.913240 
1 1 1 16 5  71 o 56.923  2.2768 25.983   2.0317  23.551   3.0731  27.872   2.7080  53.104  3.7148 58.433  2.9660 -5.329266      4.753632 
1 1 1 16 5  72 o 32.379  3.1753 8.6816   1.5910  6.1135   2.5573  10.303   2.0322  25.084  6.4631 34.930  3.7710 -9.845388      7.482811 
1 1 1 16 5  73 o 16.875  5.2724 2.6035   1.5480  4.4713   2.1736  0.6813   2.2050  21.460  6.1466 13.605  5.8187 7.854641       8.463927 
1 1 1 16 5  74 o 45.302  2.6779 16.793   1.8934  15.827   2.6613  17.783   2.6943  42.887  4.0048 45.677  3.7971 -2.790459      5.518686 
1 1 1 16 6  0  o 103.334 2.0021 83.812   3.2405  83.812   3.2405  83.812   3.2405  103.334 2.0021 103.334 2.0021 -0.000000      0.000000 
1 1 1 16 6  1  o 63.339  1.6630 31.458   1.6513  30.288   2.3346  32.629   2.3359  62.137  2.3967 64.496  2.3103 -2.358841      3.328882 
1 1 1 16 6  2  o 211.962 1.6431 352.288  5.4597  349.098  7.6630  355.576  7.7806  210.962 2.3171 212.909 2.3311 -1.947327      3.286787 
1 1 1 16 6  3  o 164.487 1.4863 212.137  3.8327  212.301  5.4235  211.974  5.4169  164.525 2.1028 164.399 2.1018 0.1266327      2.973104 
1 1 1 16 6  4  o 167.468 1.4921 219.897  3.9172  221.653  5.5692  218.178  5.5107  168.110 2.1132 166.787 2.1076 1.322952       2.984592 
1 1 1 16 6  5  o 223.681 1.6954 392.331  5.9449  397.431  8.4793  387.401  8.3371  225.085 2.4030 222.227 2.3931 2.857727       3.391415 
1 1 1 16 6  6  o 175.975 1.5168 242.809  4.1844  245.912  5.9651  239.803  5.8712  177.067 2.1490 174.855 2.1419 2.212692       3.034083 
1 1 1 16 6  7  o 134.860 1.4140 142.597  2.9893  141.882  4.2080  143.326  4.2474  134.503 1.9957 135.185 2.0042 -0.6824036     2.828338 
1 1 1 16 6  8  o 114.904 1.3995 103.518  2.5209  104.533  3.5535  102.489  3.5766  115.451 1.9634 114.315 1.9958 1.135231       2.799669 
1 1 1 16 6  9  o 233.319 1.8086 426.901  6.6154  420.782  9.6679  432.289  9.0717  231.578 2.6631 234.740 2.4652 -3.161987      3.628919 
1 1 1 16 6  10 o 91.136  1.4076 65.122   2.0111  63.979   2.7389  66.460   2.9624  90.321  1.9343 92.052  2.0529 -1.731445      2.820617 
1 1 1 16 6  11 o 227.038 1.6387 404.195  5.8324  402.714  7.9297  405.939  8.6086  226.583 2.2324 227.475 2.4141 -0.8913727     3.288074 
1 1 1 16 6  12 o 113.241 1.3557 100.542  2.4066  102.338  3.2765  98.439   3.5465  114.234 1.8296 112.031 2.0193 2.203239       2.724883 
1 1 1 16 6  13 o 55.571  1.6858 24.216   1.4686  25.065   1.9905  23.202   2.1756  56.526  2.2462 54.380  2.5520 2.146416       3.399756 
1 1 1 16 6  14 o 47.235  1.9196 17.498   1.4215  19.825   1.9664  14.952   2.0571  50.268  2.4954 43.538  3.0329 6.729023       3.927486 
1 1 1 16 6  15 o 154.913 1.3990 188.164  3.3976  191.408  4.6542  184.463  4.9713  156.222 1.9004 153.354 2.0678 2.868225       2.808466 
1 1 1 16 6  16 o 173.417 1.4437 235.807  3.9248  237.084  5.3535  234.323  5.7710  173.861 1.9642 172.837 2.1299 1.024643       2.897324 
1 1 1 16 6  17 o 88.729  1.4516 61.731   2.0191  68.492   2.9890  56.057   2.7383  93.445  2.0404 84.537  2.0662 8.907974       2.903865 
1 1 1 16 6  18 o 119.518 1.2899 111.999  2.4168  113.779  3.2133  109.679  3.6672  120.451 1.7017 118.251 1.9782 2.200386       2.609456 
1 1 1 16 6  19 o 29.147  2.8017 6.7297   1.2644  7.2455   1.7045  6.0986   1.8853  30.144  3.6836 27.485  4.5337 2.659199       5.841546 
1 1 1 16 6  20 o 169.367 1.5494 224.943  4.1137  223.599  5.1207  227.391  6.9081  168.839 1.9346 170.218 2.5888 -1.379211      3.231839 
1 1 1 16 6  21 o 77.071  1.5556 46.580   1.8795  47.045   2.3532  45.761   3.1238  77.444  1.9382 76.358  2.6096 1.086746       3.250677 
1 1 1 16 6  22 o 120.420 1.4578 113.712  2.7520  113.178  3.4121  114.704  4.6553  120.123 1.8119 120.897 2.4563 -0.7737885     3.052258 
1 1 1 16 6  23 o 58.134  1.8178 26.509   1.6566  28.104   1.9930  22.941   2.9799  59.851  2.1241 53.914  3.5455 5.937138       4.133063 
1 1 1 16 6  24 o 241.146 1.9215 456.182  7.2640  455.616  8.6932  457.491  13.223  240.954 2.3014 241.266 3.4961 -0.3120270     4.185618 
1 1 1 16 6  25 o 111.931 1.4578 98.251   2.5579  100.184  3.1780  94.696   4.3105  113.012 1.7938 109.834 2.5034 3.177681       3.079743 
1 1 1 16 6  26 o 199.749 1.6569 312.958  5.1883  305.683  6.8774  322.567  7.9042  197.360 2.2229 202.706 2.4873 -5.346176      3.335849 
1 1 1 16 6  27 o 72.272  1.5705 40.968   1.7793  36.865   2.4812  45.312   2.5530  68.532  2.3095 75.986  2.1432 -7.454163      3.150755 
1 1 1 16 6  28 o 75.878  1.5323 45.158   1.8227  47.037   2.6485  43.468   2.5122  77.413  2.1824 74.420  2.1534 2.993591       3.065907 
1 1 1 16 6  29 o 188.952 1.6126 280.073  4.7768  276.977  6.9493  282.846  6.5769  187.820 2.3602 189.819 2.2102 -1.999344      3.233484 
1 1 1 16 6  30 o 91.204  1.4163 65.244   2.0249  62.745   2.7730  68.099   2.9639  89.412  1.9783 93.145  2.0298 -3.733307      2.834404 
1 1 1 16 6  31 o 42.089  2.0737 13.907   1.3683  12.134   1.7935  16.375   2.1164  39.174  2.9419 45.538  2.9810 -6.363487      4.188279 
1 1 1 16 6  32 o 75.424  1.6014 44.636   1.8935  45.562   2.4210  43.177   3.0387  76.180  2.0272 74.120  2.6152 2.059883       3.308886 
1 1 1 16 6  33 o 12.767  4.6030 1.0776   1.1783  -0.8211  1.5010  4.1266   1.9021  9.9563  4.5010 22.363  5.4707 -12.40691      7.084357 
1 1 1 16 6  34 o 92.822  1.3939 67.595   2.0283  65.354   2.5950  71.114   3.2517  91.241  1.8142 95.145  2.1801 -3.903625      2.836209 
1 1 1 16 6  35 o 93.932  1.3895 69.227   2.0461  67.069   2.6161  72.626   3.2834  92.426  1.8056 96.142  2.1785 -3.716515      2.829482 
1 1 1 16 6  36 f 13.329  4.5303 1.3025   1.1311  0.6457   1.4434  2.3477   1.8209  12.434  4.9450 17.496  5.7442 -5.062346      7.579480 
1 1 1 16 6  37 o 21.764  3.3204 3.8207   1.0970  3.7115   1.4023  3.9930   1.7609  21.264  4.3534 21.965  5.1953 -0.7014332     6.778165 
1 1 1 16 6  38 o 92.696  1.3423 67.428   1.9506  67.498   2.6072  67.340   2.9398  92.703  1.7940 92.568  2.0258 0.1348495      2.705993 
1 1 1 16 6  39 o 60.899  1.5116 29.115   1.4432  28.492   1.9117  29.940   2.2005  60.208  2.0255 61.696  2.2751 -1.487965      3.046094 
1 1 1 16 6  40 f 95.502  1.3351 71.583   1.9988  72.844   2.7132  70.085   2.9559  96.290  1.7974 94.423  1.9969 1.866486       2.686666 
1 1 1 16 6  41 o 43.953  1.8538 15.183   1.2774  15.683   1.6732  14.484   1.9778  44.568  2.4037 42.741  2.9701 1.826477       3.820893 
1 1 1 16 6  42 o 106.840 1.4146 89.619   2.3692  87.857   3.1588  91.885   3.5822  105.715 1.9060 108.074 2.1144 -2.359337      2.846660 
1 1 1 16 6  43 o 33.475  2.4507 8.8752   1.2771  9.1178   1.6122  8.4666   2.0925  33.833  3.0732 32.357  4.2260 1.476032       5.225293 
1 1 1 16 6  44 o 87.198  1.5077 59.721   2.0610  57.079   2.5749  64.432   3.4380  85.191  1.9281 90.424  2.4253 -5.232788      3.098300 
1 1 1 16 6  45 o 56.101  1.7470 24.742   1.5364  23.665   1.9223  26.647   2.5565  54.815  2.2369 58.087  2.8075 -3.271839      3.589701 
1 1 1 16 6  46 f 20.992  3.8927 3.6140   1.2338  3.5923   1.6234  3.6435   1.8984  20.742  5.0419 20.876  5.6589 -0.1344242     7.579167 
1 1 1 16 6  47 o 29.292  2.7250 6.8350   1.2370  7.9261   1.8021  5.8629   1.7009  31.358  3.7397 26.802  4.1849 4.555317       5.612412 
1 1 1 16 6  48 o 44.316  2.0286 15.464   1.4093  16.170   1.9821  14.741   2.0043  45.138  2.8151 43.055  2.9880 2.082783       4.105259 
1 1 1 16 6  49 o 45.140  2.1161 16.054   1.4974  15.573   2.2409  16.442   2.0128  44.187  3.2580 45.504  2.8357 -1.316883      4.319221 
1 1 1 16 6  50 o 70.044  1.8604 38.618   2.0428  38.015   2.8932  39.218   2.8848  69.343  2.6615 70.442  2.6123 -1.099564      3.729290 
1 1 1 16 6  51 f 44.161  2.2593 15.426   1.5588  17.143   2.2465  13.831   2.1648  46.378  3.1078 41.578  3.3497 4.799637       4.569313 
1 1 1 16 6  52 o 134.760 1.7338 142.933  3.6629  143.216  5.2517  142.664  5.1114  134.601 2.4888 134.369 2.4265 0.2318726      3.475966 
1 1 1 16 6  53 o 31.933  2.7511 8.1394   1.3638  7.8694   1.8595  8.4536   2.0063  31.115  3.8976 32.218  4.0626 -1.102974      5.629902 
1 1 1 16 6  54 o 7.6441  3.5885 -1.1058  1.0917  -1.6264  1.5244  -0.5576  1.5642  8.8995  4.1973 10.471  4.6752 -1.571978      6.282887 
1 1 1 16 6  55 o 58.806  1.6356 27.229   1.5078  28.194   2.2715  26.468   2.0160  59.678  2.4280 57.869  2.2222 1.809097       3.291408 
1 1 1 16 6  56 o 75.004  1.4929 44.275   1.7553  47.193   2.6852  42.098   2.3196  77.247  2.2174 73.012  2.0266 4.235451       3.003937 
1 1 1 16 6  57 o 56.246  1.6711 24.934   1.4735  24.569   2.2254  25.219   1.9662  55.629  2.5518 56.447  2.2220 -0.8178864     3.383626 
1 1 1 16 6  58 o 15.382  4.3786 1.9828   1.1065  0.5314   1.5857  3.3601   1.5447  12.385  5.0888 19.810  4.9796 -7.425690      7.119816 
1 1 1 16 6  59 o 46.434  1.8283 17.032   1.3309  17.721   2.0053  16.490   1.7792  47.066  2.7295 45.469  2.5057 1.596214       3.705267 
1 1 1 16 6  60 o 43.057  1.9051 14.665   1.2859  13.523   1.9286  15.580   1.7254  40.959  3.0250 44.166  2.5022 -3.207039      3.925812 
1 1 1 16 6  61 o 25.095  2.9698 5.1215   1.1457  3.9905   1.6893  6.0848   1.5591  21.411  5.1047 27.106  3.7711 -5.694769      6.346633 
1 1 1 16 6  62 o 78.271  1.4917 48.342   1.8303  47.476   2.7739  49.011   2.4358  77.217  2.2915 78.613  1.9765 -1.395187      3.026155 
1 1 1 16 6  63 o 27.443  2.7147 6.0988   1.1526  3.9214   1.7147  7.8935   1.5567  21.065  5.2192 31.055  3.2455 -9.990099      6.145979 
1 1 1 16 6  64 o 23.368  3.1521 4.4982   1.1252  5.4635   1.6328  3.6250   1.5529  25.332  4.2629 20.293  4.9301 5.038548       6.517499 
1 1 1 16 6  65 o 41.638  1.9426 13.778   1.2680  15.172   1.9544  12.764   1.6664  43.245  2.8997 39.745  2.6903 3.499485       3.955481 
1 1 1 16 6  66 o 20.265  3.8804 3.5013   1.1879  3.2666   1.6033  3.7869   1.7687  19.099  5.2103 20.474  5.4240 -1.374464      7.521134 
1 1 1 16 6  67 o 13.972  4.6988 1.6142   1.2167  1.2528   1.6606  2.0330   1.7878  13.768  5.3555 15.770  5.6714 -2.002154      7.800407 
1 1 1 16 6  68 o 19.890  4.3716 3.4557   1.3259  2.4823   1.6788  5.0698   2.1618  16.794  5.5156 23.379  5.8986 -6.584692      8.075642 
1 1 1 16 6  69 o 18.774  3.9513 3.0436   1.1261  3.9411   1.3584  1.0711   2.0138  21.310  4.2155 14.051  5.7495 7.259310       7.129260 
1 1 1 16 6  70 o 27.919  3.9567 6.6484   1.6833  5.9387   2.4282  7.3049   2.3356  24.950  6.2278 28.325  5.4577 -3.375158      8.280787 
1 1 1 16 6  71 o 9.9387  4.5247 -0.6250  1.5497  -0.3409  2.0461  -1.0071  2.3734  11.827  5.3090 11.906  5.4868 -0.7847404E-01 7.634856 
1 1 1 16 6  72 o 21.126  5.4253 4.1909   1.8061  5.1322   2.1205  1.7035   3.4471  23.140  5.8440 16.835  7.2394 6.305592       9.303821 
1 1 1 16 6  73 o 49.660  3.4817 20.792   2.6934  21.316   3.0101  18.688   6.0321  49.866  3.8812 38.158  9.9728 11.70707       10.70144 
1 1 1 16 7  0  o 36.404  3.5679 10.693   1.9912  10.693   1.9912  10.693   1.9912  36.404  3.5679 36.404  3.5679 -0.000000      0.000000 
1 1 1 16 7  1  o 163.377 1.4916 209.295  3.8203  210.729  5.4393  207.898  5.3670  163.907 2.1169 162.803 2.1029 1.103821       2.983814 
1 1 1 16 7  2  o 101.818 1.4337 81.285   2.2884  79.271   3.1865  83.430   3.2886  100.532 2.0219 103.135 2.0340 -2.603157      2.867952 
1 1 1 16 7  3  o 135.863 1.3775 144.728  2.9339  144.712  3.9972  144.748  4.3200  135.837 1.8771 135.848 2.0285 -0.1084900E-01 2.763737 
1 1 1 16 7  4  o 99.971  1.3880 78.362   2.1752  79.921   2.9810  76.586   3.1813  100.948 1.8837 98.814  2.0537 2.133682       2.786715 
1 1 1 16 7  5  o 90.691  1.4190 64.489   2.0175  66.960   2.7889  61.777   2.9220  92.399  1.9254 88.746  2.1003 3.653297       2.849226 
1 1 1 16 7  6  o 42.713  2.0451 14.310   1.3694  12.232   1.8338  16.930   2.0589  39.361  2.9943 46.357  2.8470 -6.995903      4.131701 
1 1 1 16 7  7  o 240.909 1.7732 455.147  6.6968  459.013  8.8259  449.901  10.281  241.885 2.3275 239.431 2.7391 2.453491       3.594473 
1 1 1 16 7  8  o 172.640 1.5097 233.706  4.0860  230.401  5.7010  237.197  5.8591  171.383 2.1219 173.891 2.1493 -2.507446      3.020278 
1 1 1 16 7  9  o 80.440  1.5590 50.739   1.9660  51.481   2.7989  50.017   2.7620  81.010  2.2039 79.849  2.2065 1.160439       3.118654 
1 1 1 16 7  10 o 62.965  1.7073 31.092   1.6853  30.901   2.3102  31.308   2.4640  62.758  2.3481 63.167  2.4883 -0.4082832     3.421280 
1 1 1 16 7  11 o 106.062 1.3790 88.204   2.2929  90.077   3.1138  85.985   3.3890  107.168 1.8534 104.698 2.0648 2.470177       2.774639 
1 1 1 16 7  12 o 56.917  2.0584 25.412   1.8367  24.566   2.2262  27.215   3.2502  55.951  2.5380 58.752  3.5455 -2.801189      4.360270 
1 1 1 16 7  13 o 159.176 1.6101 198.691  4.0177  196.832  5.1556  201.568  6.4112  158.404 2.0761 160.267 2.5518 -1.862595      3.289650 
1 1 1 16 7  14 o 138.964 1.6401 151.440  3.5730  148.688  4.7359  155.076  5.4435  137.668 2.1944 140.577 2.4701 -2.909531      3.304042 
1 1 1 16 7  15 o 186.329 1.8002 272.301  5.2584  271.147  6.9651  273.832  8.0185  185.889 2.3901 186.776 2.7385 -0.8863678     3.634876 
1 1 1 16 7  16 o 191.118 2.1972 286.573  6.5831  287.194  9.3707  285.967  9.2502  191.232 3.1258 190.827 3.0921 0.4050446      4.396776 
1 1 1 16 7  17 o 38.422  2.7906 11.650   1.6694  12.848   2.1772  9.9417   2.6005  40.287  3.4815 35.206  4.8398 5.081238       5.961986 
1 1 1 16 7  18 o 82.933  1.6084 53.940   2.0911  56.373   2.9703  51.549   2.9443  84.761  2.2354 81.050  2.3173 3.711189       3.219745 
1 1 1 16 7  19 o 187.473 1.8992 275.704  5.5815  277.565  7.8825  273.832  7.9045  188.033 2.6741 186.761 2.6998 1.271545       3.799984 
1 1 1 16 7  20 o 85.205  1.7457 56.945   2.3318  62.258   3.3674  52.050   3.2322  89.063  2.4118 81.430  2.5320 7.633362       3.496811 
1 1 1 16 7  21 o 135.053 1.7360 143.069  3.6755  148.541  5.1909  137.567  5.2049  137.567 2.4070 132.380 2.5081 5.187057       3.476223 
1 1 1 16 7  22 o 269.219 1.9049 568.630  8.0397  572.422  10.555  563.392  12.407  270.028 2.4935 267.806 2.9553 2.222321       3.866733 
1 1 1 16 7  23 o 94.956  1.4251 70.713   2.1214  70.150   2.7593  71.528   3.3175  94.559  1.8614 95.465  2.2167 -0.9062119     2.894601 
1 1 1 16 7  24 o 41.574  2.0911 13.598   1.3585  12.030   1.7280  16.136   2.1980  39.029  2.8439 45.204  3.1208 -6.174881      4.222227 
1 1 1 16 7  25 o 88.880  1.4330 61.958   1.9966  61.026   2.5915  63.318   3.1317  88.190  1.8745 89.811  2.2243 -1.621033      2.908861 
1 1 1 16 7  26 o 34.774  2.3433 9.5379   1.2700  8.7050   1.6618  10.707   1.9692  33.112  3.2429 36.728  3.4609 -3.615849      4.742801 
1 1 1 16 7  27 o 68.933  1.4787 37.274   1.5979  35.246   2.1130  39.984   2.4421  67.010  2.0115 71.363  2.1829 -4.353142      2.968338 
1 1 1 16 7  28 o 168.787 1.4879 223.491  3.9370  219.599  5.4667  227.686  5.6747  167.245 2.0851 170.291 2.1257 -3.046112      2.977585 
1 1 1 16 7  29 o 65.090  1.5611 33.241   1.5929  33.191   2.2319  33.293   2.2740  65.010  2.1900 65.107  2.2280 -0.9755707E-01 3.124099 
1 1 1 16 7  30 o 25.774  2.8646 5.2892   1.1378  4.3714   1.5189  6.4630   1.7177  23.152  4.3445 28.347  3.9745 -5.195158      5.888180 
1 1 1 16 7  31 o 145.943 1.4220 167.110  3.2534  167.273  4.2747  166.886  5.0158  145.964 1.8681 145.750 2.1952 0.2144165      2.882510 
1 1 1 16 7  32 o 47.703  1.7758 17.865   1.3280  18.386   1.7951  17.236   1.9737  48.363  2.3676 46.729  2.7059 1.634476       3.595518 
1 1 1 16 7  33 o 118.761 1.3479 110.662  2.5095  109.727  3.3593  111.842  3.7749  118.211 1.8127 119.319 2.0181 -1.108246      2.712692 
1 1 1 16 7  34 o 134.371 1.4643 141.704  3.0845  141.540  4.1424  141.907  4.6211  134.226 1.9686 134.363 2.1939 -0.1371613     2.947638 
1 1 1 16 7  35 o 116.890 1.3835 107.225  2.5352  108.118  3.3251  105.985  3.9182  117.326 1.8078 116.113 2.1525 1.212349       2.810958 
1 1 1 16 7  36 f 87.375  1.4025 59.919   1.9211  59.754   2.5042  60.155   2.9949  87.214  1.8316 87.465  2.1842 -0.2505341     2.850552 
1 1 1 16 7  37 o 19.469  3.7690 3.1007   1.1087  3.8092   1.4374  2.0600   1.7421  21.516  4.4098 16.592  5.6224 4.924007       7.145463 
1 1 1 16 7  38 o 48.725  1.7864 18.654   1.3645  18.083   1.7668  19.498   2.1481  47.932  2.3512 49.655  2.7705 -1.723434      3.633767 
1 1 1 16 7  39 o 90.965  1.4042 64.962   2.0024  66.357   2.6400  63.071   3.0728  91.886  1.8327 89.531  2.1893 2.355202       2.855176 
1 1 1 16 7  40 o 86.712  1.4020 59.034   1.9058  61.225   2.5111  56.057   2.9269  88.257  1.8149 84.393  2.2123 3.864136       2.861507 
1 1 1 16 7  41 o 62.329  1.5458 30.516   1.5104  30.352   1.9560  30.758   2.3773  62.116  2.0086 62.478  2.4271 -0.3621101     3.150493 
1 1 1 16 7  42 o 27.773  2.6470 6.1396   1.1385  5.5515   1.4608  7.0495   1.8170  26.207  3.6553 29.505  4.0340 -3.298233      5.443750 
1 1 1 16 7  43 o 86.014  1.3992 58.103   1.8867  60.061   2.5025  55.526   2.8718  87.392  1.8266 83.970  2.1816 3.422264       2.845312 
1 1 1 16 7  44 o 61.261  1.5511 29.490   1.4897  29.457   1.9406  29.538   2.3244  61.174  2.0235 61.202  2.4226 -0.2828979E-01 3.156567 
1 1 1 16 7  45 o 40.113  2.0558 12.702   1.2884  11.576   1.7436  14.057   1.9123  38.143  2.9386 42.058  2.9185 -3.915028      4.141567 
1 1 1 16 7  46 o 52.718  1.7743 21.861   1.4664  21.020   2.0061  22.827   2.1488  51.607  2.4796 53.768  2.5492 -2.160995      3.556287 
1 1 1 16 7  47 o 66.609  1.6091 34.883   1.6802  35.859   2.2901  33.745   2.4727  67.452  2.1658 65.389  2.4122 2.062424       3.241818 
1 1 1 16 7  48 o 10.217  4.3866 -0.0439  1.2619  -0.5819  1.4774  1.4072   2.4265  10.137  4.5335 16.386  6.4447 -6.249225      7.879542 
1 1 1 16 7  49 f 36.449  2.5307 10.550   1.4370  10.008   1.8951  11.283   2.2044  35.293  3.4700 37.403  3.8128 -2.110317      5.155402 
1 1 1 16 7  50 o 65.607  1.8170 33.893   1.8688  34.913   2.4666  32.519   2.8633  66.481  2.3667 64.050  2.8517 2.430801       3.705846 
1 1 1 16 7  51 o 74.669  1.6943 43.888   1.9833  41.295   2.9276  46.086   2.6963  72.228  2.5855 76.393  2.2514 -4.165192      3.428395 
1 1 1 16 7  52 o 56.259  1.8087 24.937   1.5952  24.983   2.2696  24.892   2.2425  56.161  2.5779 56.066  2.5514 0.9543228E-01  3.627002 
1 1 1 16 7  53 o 55.126  1.9351 23.971   1.6723  23.776   2.5230  24.124   2.2334  54.594  2.9590 55.166  2.5826 -0.5717087     3.927511 
1 1 1 16 7  54 o 72.905  1.6245 41.863   1.8567  40.022   2.9186  43.114   2.4064  71.011  2.6218 73.874  2.0779 -2.862892      3.345362 
1 1 1 16 7  55 o 56.440  1.7058 25.112   1.5093  27.373   2.2570  23.283   2.0300  58.748  2.4506 54.197  2.3893 4.551018       3.422578 
1 1 1 16 7  56 o 76.877  1.5970 46.577   1.9247  46.780   2.6978  46.367   2.7468  76.844  2.2395 76.485  2.2908 0.3585892      3.203629 
1 1 1 16 7  57 o 19.386  4.1497 3.1694   1.2231  2.8464   1.7253  3.4956   1.7341  18.273  5.5410 20.098  5.3919 -1.824989      7.731481 
1 1 1 16 7  58 o 33.910  2.5800 9.2137   1.3612  8.8818   1.8293  9.6256   2.0377  32.955  3.5993 34.216  3.8667 -1.260334      5.282650 
1 1 1 16 7  59 o 33.124  2.3636 8.7731   1.2193  10.740   1.8881  7.3663   1.5969  36.323  3.3535 29.992  3.4599 6.331026       4.818398 
1 1 1 16 7  60 o 16.480  4.3508 2.3282   1.1406  0.4593   1.7054  3.8408   1.5343  12.461  5.2124 21.068  4.7579 -8.606918      7.057418 
1 1 1 16 7  61 o 22.402  3.6663 4.1946   1.2430  5.1693   2.1100  3.6766   1.5382  24.041  5.6874 20.521  4.8570 3.520113       7.479119 
1 1 1 16 7  62 o 31.001  2.6800 7.7721   1.2897  7.8849   2.0218  7.6947   1.6746  30.494  4.3529 30.490  3.5710 0.3227234E-02  5.630307 
1 1 1 16 7  63 o 50.042  1.9330 19.897   1.5164  20.514   2.2871  19.412   2.0257  50.309  2.9123 49.077  2.6427 1.231411       3.932639 
1 1 1 16 7  64 f 16.852  4.5057 2.4834   1.2133  2.3744   1.8379  2.5677   1.6153  16.691  5.7716 17.079  5.3934 -0.3875389     7.899390 
1 1 1 16 7  65 o 36.705  2.3318 10.831   1.3348  15.172   2.0348  7.5528   1.7685  43.113  3.0299 29.960  3.8548 13.15324       4.903029 
1 1 1 16 7  66 o 45.083  2.2037 16.254   1.5575  17.414   2.0213  14.557   2.4434  46.310  2.7974 41.734  3.7755 4.575943       4.698965 
1 1 1 16 7  67 o 26.192  3.0567 5.6598   1.2315  6.5268   1.7652  4.8378   1.7189  27.572  4.2178 23.340  4.8559 4.232277       6.431921 
1 1 1 16 7  68 o 30.392  2.9335 7.5833   1.3803  8.9391   1.7933  5.6125   2.1620  32.686  3.5572 24.601  5.7150 8.084270       6.731632 
1 1 1 16 7  69 o 31.280  3.2124 8.1216   1.5529  10.441   2.1736  5.7042   2.2193  34.968  4.0395 24.625  5.8378 10.34357       7.099121 
1 1 1 16 7  70 o 14.127  5.2297 1.5938   1.5364  2.4809   2.2529  0.8225   2.1007  16.855  6.3143 13.607  5.7435 3.248039       8.535697 
1 1 1 16 7  71 f 37.070  3.1894 11.459   1.8354  13.939   2.6565  9.1933   2.5389  39.966  4.3080 31.577  5.3178 8.389420       6.843827 
1 1 1 16 7  72 o 11.506  5.0518 0.1284   1.7528  -0.2237  2.2595  0.6606   2.7778  12.272  5.5374 14.354  6.3288 -2.081971      8.409257 
1 1 1 16 8  0  o 200.172 2.5200 314.388  7.9049  314.388  7.9049  314.388  7.9049  200.172 2.5200 200.172 2.5200 0.000000       0.000000 
1 1 1 16 8  1  o 13.600  4.8484 1.2417   1.3038  -0.6407  1.8176  3.2370   1.8713  11.475  5.0864 20.015  5.6932 -8.539727      7.634340 
1 1 1 16 8  2  f 125.791 1.5152 124.084  2.9880  118.320  3.9216  132.061  4.6136  122.813 2.0369 129.737 2.2684 -6.923470      3.048706 
1 1 1 16 8  3  o 81.279  1.7175 51.812   2.1885  49.091   2.7849  56.206   3.5386  79.100  2.2459 84.622  2.6675 -5.521545      3.487019 
1 1 1 16 8  4  o 159.561 1.7336 199.678  4.3365  195.377  5.7236  205.474  6.6442  157.798 2.3138 161.801 2.6194 -4.002686      3.494988 
1 1 1 16 8  5  o 139.444 1.6962 152.499  3.7079  149.412  4.8464  156.857  5.7583  137.997 2.2402 141.370 2.5983 -3.372787      3.430706 
1 1 1 16 8  6  o 119.463 1.9219 111.946  3.5992  112.287  4.2355  111.059  6.8277  119.629 2.2585 118.876 3.6637 0.7525101      4.303925 
1 1 1 16 8  7  o 77.852  2.1975 47.553   2.6820  48.446   3.6565  46.514   3.9458  78.548  2.9694 76.952  3.2709 1.596802       4.417726 
1 1 1 16 8  8  o 163.813 2.1109 210.528  5.4209  206.068  6.5303  220.415  9.7221  162.033 2.5709 167.460 3.7034 -5.426315      4.508234 
1 1 1 16 8  9  o 86.279  2.0955 58.401   2.8343  53.904   3.9516  63.167   4.0676  82.849  3.0425 89.693  2.8929 -6.844139      4.198275 
1 1 1 16 8  10 o 82.958  1.7352 53.978   2.2567  53.899   3.0000  54.080   3.4248  82.878  2.3090 83.003  2.6320 -0.1253815     3.501328 
1 1 1 16 8  11 o 80.314  1.7597 50.594   2.2155  51.340   2.9529  49.633   3.3512  80.884  2.3288 79.513  2.6885 1.371147       3.556887 
1 1 1 16 8  12 o 56.029  2.1168 24.630   1.8593  23.037   2.3142  27.530   3.1226  54.100  2.7375 59.095  3.3848 -4.994678      4.353267 
1 1 1 16 8  13 o 124.604 1.5093 121.761  2.9481  125.562  4.0060  117.270  4.3543  126.508 2.0200 122.245 2.2721 4.263557       3.040187 
1 1 1 16 8  14 o 120.874 1.4956 114.582  2.8340  112.772  3.7424  117.014  4.3392  119.892 1.9912 122.110 2.2668 -2.217339      3.017127 
1 1 1 16 8  15 o 123.261 1.4276 119.148  2.7586  120.222  3.8823  118.052  3.9206  123.787 2.0006 122.662 2.0389 1.124634       2.856472 
1 1 1 16 8  16 o 67.527  1.6137 35.765   1.7083  34.932   2.3837  36.645   2.4495  66.715  2.2791 68.330  2.2867 -1.615372      3.228516 
1 1 1 16 8  17 o 179.985 1.5389 254.074  4.3420  249.843  6.0396  258.600  6.2467  178.428 2.1592 181.524 2.1951 -3.096481      3.079074 
1 1 1 16 8  18 o 254.154 1.8350 506.768  7.3112  504.878  10.263  508.715  10.418  253.568 2.5818 254.525 2.6110 -0.9567261     3.671879 
1 1 1 16 8  19 o 143.038 1.4443 160.464  3.2387  159.402  4.4906  161.615  4.6753  142.525 2.0098 143.505 2.0782 -0.9801788     2.891081 
1 1 1 16 8  20 o 178.041 1.5266 248.635  4.2610  245.436  5.9486  252.005  6.1063  176.833 2.1458 179.181 2.1739 -2.347443      3.054562 
1 1 1 16 8  21 o 134.814 1.4233 142.549  3.0080  145.887  4.2667  139.251  4.2414  136.341 1.9962 133.201 2.0312 3.139542       2.847933 
1 1 1 16 8  22 o 84.490  1.4508 55.994   1.9216  55.586   2.7032  56.410   2.7320  84.153  2.0491 84.774  2.0557 -0.6207886     2.902545 
1 1 1 16 8  23 o 109.951 1.4610 94.830   2.5183  93.891   3.3831  95.998   3.7714  109.371 1.9731 110.575 2.1757 -1.203835      2.937134 
1 1 1 16 8  24 o 74.086  1.5740 43.063   1.8281  41.241   2.4519  45.342   2.7431  72.473  2.1581 75.982  2.3030 -3.508690      3.156115 
1 1 1 16 8  25 o 78.730  1.5754 48.634   1.9444  49.956   2.5268  46.713   3.0447  79.768  2.0206 77.100  2.5190 2.667770       3.229290 
1 1 1 16 8  26 o 24.661  3.3150 4.8743   1.2491  4.8413   1.6898  4.9140   1.8548  24.352  4.5948 24.472  5.0035 -0.1201134     6.793186 
1 1 1 16 8  27 o 37.023  2.2260 10.807   1.2860  10.331   1.7048  11.435   1.9587  36.102  3.0406 37.955  3.3255 -1.853016      4.506000 
1 1 1 16 8  28 o 89.983  1.5400 63.541   2.1724  62.398   3.0440  64.726   3.1012  89.119  2.1788 90.766  2.1795 -1.647171      3.081808 
1 1 1 16 8  29 o 47.785  1.9114 17.932   1.4318  17.524   1.9509  18.409   2.1080  47.121  2.6518 48.283  2.7970 -1.161869      3.854220 
1 1 1 16 8  30 o 46.760  1.9164 17.174   1.4048  19.147   1.9671  15.120   2.0070  49.269  2.5556 43.716  2.9456 5.552498       3.899740 
1 1 1 16 8  31 o 71.530  1.5637 40.164   1.7534  38.359   2.3472  42.442   2.6374  69.860  2.1433 73.469  2.2899 -3.609581      3.136461 
1 1 1 16 8  32 o 44.385  1.9792 15.480   1.3771  16.139   1.8763  14.710   2.0276  45.197  2.6598 43.092  3.0206 2.105232       4.024695 
1 1 1 16 8  33 o 46.250  1.9959 16.812   1.4471  17.210   1.8702  16.218   2.2846  46.684  2.5652 45.212  3.2449 1.472164       4.136394 
1 1 1 16 8  34 o 131.337 1.5414 135.437  3.1737  141.477  4.5474  129.701  4.4315  134.123 2.1627 128.412 2.2014 5.711075       3.085999 
1 1 1 16 8  35 o 105.416 1.4608 87.245   2.4141  87.510   3.2529  86.921   3.6017  105.507 1.9667 105.115 2.1857 0.3918991      2.940277 
1 1 1 16 8  36 o 58.702  1.7091 27.073   1.5728  28.305   2.1370  25.618   2.3232  59.968  2.2732 57.015  2.5992 2.953369       3.452997 
1 1 1 16 8  37 o 63.734  1.6106 31.909   1.6092  30.157   2.1282  34.249   2.4592  61.902  2.1931 65.944  2.3788 -4.042130      3.235478 
1 1 1 16 8  38 o 25.572  3.0528 5.2396   1.1996  3.7981   1.5755  7.2283   1.8505  21.384  4.8154 29.889  4.0540 -8.504810      6.294700 
1 1 1 16 8  39 o 27.185  2.9302 5.9053   1.2290  7.6258   1.6670  3.8562   1.8192  30.822  3.5128 21.479  5.4067 9.342995       6.447614 
1 1 1 16 8  40 o 101.696 1.4612 81.234   2.3295  82.948   3.1954  79.291   3.4031  102.672 1.9852 100.348 2.1633 2.324783       2.936178 
1 1 1 16 8  41 o 50.677  1.8338 20.200   1.4568  19.824   1.9495  20.675   2.1924  50.133  2.4805 51.088  2.7476 -0.9554520     3.701630 
1 1 1 16 8  42 o 16.625  4.3022 2.2915   1.1299  1.8053   1.5158  2.8995   1.6950  15.460  5.2444 18.732  5.4461 -3.271659      7.560658 
1 1 1 16 8  43 o 40.598  2.2220 13.029   1.4089  12.370   1.7719  14.161   2.3230  39.440  2.8859 42.065  3.5560 -2.624405      4.579661 
1 1 1 16 8  44 f 57.728  1.8268 26.223   1.6533  25.296   2.3350  27.154   2.3411  56.581  2.6325 58.637  2.5468 -2.056587      3.662816 
1 1 1 16 8  45 o 45.581  2.0382 16.367   1.4564  12.916   2.0241  20.072   2.0971  40.213  3.2382 50.317  2.6681 -10.10458      4.195824 
1 1 1 16 8  46 o 65.862  1.7071 34.128   1.7625  31.541   2.4296  37.002   2.5608  63.192  2.4526 68.458  2.3861 -5.266731      3.421796 
1 1 1 16 8  47 o 9.9594  4.2862 -0.0622  1.2101  1.8894   1.7155  -1.9949  1.7072  15.956  5.5728 9.2413  4.3833 6.715132       7.090075 
1 1 1 16 8  48 o 71.901  1.6615 40.681   1.8728  40.044   2.6109  41.357   2.6880  71.198  2.3392 72.349  2.3699 -1.150658      3.329940 
1 1 1 16 8  49 o 35.133  2.4984 9.8140   1.3671  11.098   1.9651  8.6099   1.9030  37.154  3.4120 32.584  3.7967 4.570370       5.104615 
1 1 1 16 8  50 o 20.871  4.2402 3.6316   1.3400  2.6240   2.0914  4.3334   1.7454  18.199  6.1603 22.638  5.0469 -4.439251      7.963660 
1 1 1 16 8  51 o 62.654  1.7376 30.930   1.7066  32.739   2.4189  29.137   2.4082  64.309  2.3994 60.634  2.5336 3.675190       3.489395 
1 1 1 16 8  52 o 36.658  2.5959 10.716   1.4822  10.242   1.9528  11.362   2.2766  35.569  3.5494 37.347  3.9484 -1.777134      5.309216 
1 1 1 16 8  53 o 36.734  2.3033 10.730   1.3197  8.5487   1.7105  13.937   2.0743  32.484  3.4098 41.627  3.2032 -9.143124      4.678317 
1 1 1 16 8  54 o 37.756  2.2285 11.331   1.3132  9.7963   1.8773  12.801   1.8375  34.738  3.4948 39.935  2.9561 -5.197475      4.577361 
1 1 1 16 8  55 o 48.470  1.9250 18.574   1.4627  19.937   2.2814  17.622   1.9060  49.856  2.9319 46.980  2.5980 2.876263       3.917368 
1 1 1 16 8  56 o 37.544  2.4965 11.268   1.4610  11.512   2.6680  11.164   1.7460  37.065  4.6969 37.202  3.0199 -0.1373253     5.583977 
1 1 1 16 8  57 o 71.692  1.8348 40.656   2.0621  40.821   3.4926  40.568   2.5550  71.223  3.1280 71.437  2.2815 -0.2140579     3.871655 
1 1 1 16 8  58 o 20.786  4.2940 3.6849   1.3529  5.5916   1.9619  1.9561   1.8682  25.374  5.1090 15.957  5.7891 9.416658       7.721117 
1 1 1 16 8  59 o 42.219  2.1551 14.214   1.4216  15.743   2.0693  12.847   1.9563  44.087  3.0121 39.738  3.1667 4.348900       4.370453 
1 1 1 16 8  60 o 41.125  2.2054 13.515   1.4166  11.753   2.0209  15.219   1.9864  37.819  3.4464 43.331  2.9417 -5.512009      4.531178 
1 1 1 16 8  61 o 27.451  3.4857 6.2532   1.4663  10.085   2.1283  2.7919   2.0229  34.687  3.9865 17.882  6.0585 16.80452       7.252422 
1 1 1 16 8  62 o 33.917  2.6968 9.3233   1.4221  8.8945   1.9574  9.8026   2.0694  32.544  3.9152 34.172  3.9349 -1.627514      5.550895 
1 1 1 16 8  63 o 16.366  4.9026 2.3555   1.3567  -0.3128  2.1641  4.0831   1.7413  12.347  5.5070 21.281  5.2517 -8.933481      7.609679 
1 1 1 16 8  64 o 26.756  3.6610 6.0162   1.4953  6.9030   2.2969  5.3639   1.9700  27.627  5.4968 24.386  5.3041 3.241577       7.638643 
1 1 1 16 8  65 o 11.331  4.5906 0.6224   1.2684  0.3506   2.1550  0.7664   1.5689  13.185  5.6970 12.460  5.0839 0.7256527      7.635541 
1 1 1 16 8  66 o 18.652  4.5284 3.0853   1.3108  1.9113   2.2110  3.7216   1.6277  15.897  6.1807 20.247  5.1239 -4.350528      8.028401 
1 1 1 16 8  67 o 37.485  2.3465 11.345   1.3720  14.734   2.3332  9.5534   1.6963  41.962  3.5811 33.946  3.2263 8.016426       4.820072 
1 1 1 16 8  68 o 8.7302  4.0472 -0.8776  1.3198  -0.2012  1.8612  -1.5619  1.8719  11.483  5.1153 9.8692  4.6536 1.613794       6.915328 
1 1 1 16 8  69 o 36.561  3.0661 11.085   1.7411  11.878   2.7140  10.529   2.2697  36.421  4.8758 34.780  4.2513 1.640560       6.468960 
1 1 1 16 8  70 o 37.940  2.9581 11.935   1.7455  9.7096   2.7189  13.496   2.2765  32.057  5.6148 39.766  3.6940 -7.709072      6.720947 
1 1 1 16 9  0  o 65.703  2.9653 34.075   3.0401  34.075   3.0401  34.075   3.0401  65.703  2.9653 65.703  2.9653 -0.000000      0.000000 
1 1 1 16 9  1  o 229.158 2.2617 412.122  8.1251  418.099  12.573  407.837  10.647  230.620 3.4776 227.860 2.9807 2.760117       4.580177 
1 1 1 16 9  2  o 145.923 1.8962 167.050  4.3377  168.806  6.7160  165.793  5.6819  146.600 2.9223 145.327 2.4940 1.273346       3.841834 
1 1 1 16 9  3  o 185.960 2.0545 271.336  5.9892  264.490  9.0520  276.666  7.9876  183.473 3.1472 187.706 2.7145 -4.233215      4.156082 
1 1 1 16 9  4  o 130.114 1.8946 132.817  3.8646  130.740  5.9550  134.328  5.0795  129.013 2.9444 130.812 2.4770 -1.798935      3.847703 
1 1 1 16 9  5  o 184.921 2.0475 268.316  5.9355  269.316  9.1731  267.596  7.7848  185.133 3.1607 184.604 2.6900 0.5295258      4.150414 
1 1 1 16 9  6  o 52.790  2.3354 21.873   1.9327  18.813   3.1286  23.762   2.4578  48.714  4.1358 54.928  2.8642 -6.214458      5.030768 
1 1 1 16 9  7  o 64.474  1.9883 32.616   2.0097  36.395   3.1769  30.094   2.5949  68.064  2.9773 61.907  2.6738 6.157902       4.001665 
1 1 1 16 9  8  o 87.388  1.7339 59.905   2.3754  61.358   3.6042  58.790   3.1583  88.399  2.6008 86.544  2.3279 1.855125       3.490483 
1 1 1 16 9  9  o 77.700  1.7692 47.361   2.1551  49.657   3.2862  45.629   2.8547  79.521  2.6361 76.240  2.3885 3.280289       3.557189 
1 1 1 16 9  10 o 106.316 1.6617 88.663   2.7695  94.142   4.3145  84.824   3.6117  109.499 2.5135 103.958 2.2162 5.540611       3.350950 
1 1 1 16 9  11 o 142.600 1.6851 159.515  3.7669  161.992  5.7321  157.632  4.9976  143.630 2.5458 141.712 2.2496 1.918732       3.397277 
1 1 1 16 9  12 o 104.091 1.5744 84.988   2.5691  87.631   3.6640  82.432   3.6033  105.661 2.2120 102.477 2.2430 3.183914       3.150208 
1 1 1 16 9  13 o 88.988  1.5900 62.117   2.2181  64.892   3.2182  59.605   3.0614  90.920  2.2579 87.139  2.2411 3.781418       3.181266 
1 1 1 16 9  14 o 71.435  1.6225 40.031   1.8169  39.159   2.4710  41.057   2.6809  70.628  2.2317 72.312  2.3649 -1.684013      3.251660 
1 1 1 16 9  15 o 157.464 1.6167 194.510  3.9908  192.136  5.6275  196.913  5.6604  156.434 2.2947 158.368 2.2799 -1.934143      3.234785 
1 1 1 16 9  16 o 135.126 1.4893 143.225  3.1549  139.637  4.2127  147.806  4.7607  133.382 2.0147 137.209 2.2133 -3.826782      2.992919 
1 1 1 16 9  17 o 99.936  1.4735 78.342   2.3085  76.992   3.1055  80.009   3.4514  99.040  2.0001 100.949 2.1809 -1.908798      2.959226 
1 1 1 16 9  18 o 184.695 1.6217 267.639  4.6955  277.436  6.4920  256.892  6.7994  187.970 2.2031 180.847 2.3983 7.122849       3.256633 
1 1 1 16 9  19 o 87.409  1.4937 59.938   2.0467  57.655   2.7048  62.996   3.1307  85.698  2.0133 89.564  2.2298 -3.865242      3.004176 
1 1 1 16 9  20 o 88.472  1.4992 61.408   2.0793  63.756   2.8288  58.649   3.0668  90.116  2.0024 86.411  2.2640 3.704361       3.022433 
1 1 1 16 9  21 o 11.423  4.5072 0.5741   1.1904  -0.9340  1.6124  2.3807   1.7648  10.242  4.6443 17.539  5.6479 -7.297073      7.312190 
1 1 1 16 9  22 o 133.256 1.4797 139.324  3.0911  139.712  4.1888  138.860  4.5803  133.387 2.0032 132.955 2.1975 0.4320374      2.973516 
1 1 1 16 9  23 o 83.427  1.5230 54.616   1.9919  55.513   2.7004  53.545   2.9499  84.072  2.0489 82.549  2.2796 1.523315       3.065015 
1 1 1 16 9  24 o 138.519 1.4823 150.565  3.2188  155.342  4.4277  145.211  4.6874  140.634 2.0083 135.944 2.1995 4.690369       2.978450 
1 1 1 16 9  25 o 70.516  1.5956 39.029   1.7638  40.232   2.4103  37.641   2.5881  71.555  2.1487 69.193  2.3860 2.362144       3.210876 
1 1 1 16 9  26 o 103.547 1.4695 84.146   2.3854  84.264   3.1958  83.996   3.5846  103.570 1.9683 103.375 2.2119 0.1948395      2.960875 
1 1 1 16 9  27 o 139.835 1.4885 153.474  3.2631  152.721  4.3970  154.396  4.8683  139.415 2.0118 140.141 2.2159 -0.7260895     2.992969 
1 1 1 16 9  28 o 108.838 1.4018 92.967   2.3917  90.908   3.0851  96.069   3.7863  107.579 1.8293 110.541 2.1849 -2.961716      2.849641 
1 1 1 16 9  29 o 103.098 1.3924 83.424   2.2504  84.518   2.9815  81.976   3.4307  103.722 1.8336 102.109 2.1432 1.613724       2.820579 
1 1 1 16 9  30 o 123.697 1.4015 120.100  2.7178  120.626  3.5766  119.381  4.1809  123.905 1.8413 123.207 2.1646 0.6977921      2.841823 
1 1 1 16 9  31 o 26.620  2.8908 5.6534   1.1869  5.9406   1.5436  5.2381   1.8565  27.144  3.7258 25.220  4.8721 1.924641       6.133449 
1 1 1 16 9  32 o 106.005 1.4038 88.216   2.3328  85.932   3.0186  91.603   3.6757  104.566 1.8415 107.904 2.1729 -3.338676      2.848283 
1 1 1 16 9  33 o 71.825  1.5005 40.511   1.6895  42.171   2.2415  38.328   2.5709  73.234  1.9524 69.768  2.3506 3.465820       3.055668 
1 1 1 16 9  34 o 110.543 1.4538 95.958   2.5194  100.964  3.4588  90.301   3.6773  113.308 1.9472 107.111 2.1900 6.196671       2.930451 
1 1 1 16 9  35 o 9.8471  4.1536 0.0877   1.0974  -0.0665  1.4339  0.3057   1.7051  10.883  4.6742 12.529  5.2240 -1.646762      7.009893 
1 1 1 16 9  36 o 60.878  1.6126 29.122   1.5390  27.909   1.9949  30.906   2.4190  59.541  2.1372 62.612  2.4644 -3.070576      3.262061 
1 1 1 16 9  37 o 23.339  3.2214 4.3924   1.1472  2.4082   1.4860  7.3196   1.8049  17.184  5.1272 30.088  3.9197 -12.90396      6.453817 
1 1 1 16 9  38 o 52.394  1.7338 21.584   1.4241  21.776   1.8698  21.319   2.1977  52.567  2.2689 51.886  2.7114 0.6818657      3.535442 
1 1 1 16 9  39 o 15.994  4.3528 2.1132   1.1206  2.7864   1.4524  1.1231   1.7613  18.304  4.9448 14.310  5.5297 3.994101       7.418101 
1 1 1 16 9  40 o 14.024  4.3906 1.5645   1.0729  0.9893   1.3878  2.4187   1.6913  13.000  4.9368 17.373  5.5222 -4.372995      7.407244 
1 1 1 16 9  41 o 34.683  2.3211 9.5301   1.2548  9.7927   1.6416  9.1612   1.9460  35.034  3.0184 33.714  3.7452 1.319542       4.810146 
1 1 1 16 9  42 o 43.849  2.1492 15.156   1.4774  16.647   1.8991  12.870   2.3513  45.814  2.6556 40.001  3.7951 5.812618       4.631926 
1 1 1 16 9  43 o 50.384  1.8719 19.987   1.4785  18.767   1.9652  21.578   2.2445  48.657  2.5856 52.146  2.7554 -3.489071      3.778596 
1 1 1 16 9  44 o 14.042  4.5626 1.5451   1.1499  0.6458   1.5214  2.7434   1.7563  12.557  5.0486 18.265  5.6011 -5.708123      7.540544 
1 1 1 16 9  45 o 74.126  1.6458 43.233   1.9126  42.128   2.6430  44.448   2.7710  73.039  2.3083 75.011  2.3565 -1.972359      3.298686 
1 1 1 16 9  46 o 41.365  2.1542 13.540   1.3921  13.315   1.9029  13.799   2.0418  40.840  2.9930 41.536  3.1594 -0.6962357     4.352004 
1 1 1 16 9  47 o 8.7892  3.9395 -0.4700  1.1223  -1.7375  1.5033  1.1260   1.6869  8.6893  4.1191 14.027  5.4139 -5.337914      6.802747 
1 1 1 16 9  48 o 33.979  2.4302 9.1847   1.2860  7.4685   1.7172  11.377   1.9406  30.317  3.6891 37.612  3.3254 -7.295488      4.966640 
1 1 1 16 9  49 o 46.013  2.1774 16.736   1.5706  19.214   2.4232  14.941   2.0625  48.975  3.1733 43.194  3.0658 5.780659       4.412341 
1 1 1 16 9  50 o 41.764  2.1857 13.833   1.4260  12.845   1.9635  14.937   2.0745  39.983  3.1583 43.158  3.0865 -3.174610      4.416038 
1 1 1 16 9  51 o 24.165  3.8156 4.8174   1.3975  3.6659   1.9850  5.9491   1.9678  20.605  5.8644 26.533  4.9117 -5.928226      7.649572 
1 1 1 16 9  52 o 53.201  1.8992 22.362   1.5839  23.044   2.2789  21.724   2.2031  53.720  2.7148 52.160  2.7036 1.560806       3.831375 
1 1 1 16 9  53 o 10.664  4.3540 0.4075   1.1517  0.8439   1.5672  -0.1047  1.6980  12.947  5.1516 11.552  5.0241 1.394691       7.195854 
1 1 1 16 9  54 o 45.704  1.9253 16.528   1.3795  16.016   1.8952  17.106   2.0118  44.704  2.7171 46.177  2.7922 -1.473030      3.896061 
1 1 1 16 9  55 o 67.615  1.6502 36.106   1.7491  34.488   2.3795  38.007   2.5799  65.850  2.3051 69.093  2.3819 -3.243431      3.314615 
1 1 1 16 9  56 o 18.329  4.4152 2.8896   1.2536  2.8958   1.5953  2.8797   2.0266  18.220  5.2797 18.307  6.0625 -0.8759117E-01 8.039197 
1 1 1 16 9  57 o 32.819  2.8679 8.7277   1.4607  7.8743   1.9030  9.9515   2.2788  30.665  4.0584 34.385  4.3230 -3.720671      5.929453 
1 1 1 16 9  58 o 20.495  4.3087 3.6170   1.3404  3.2354   1.9013  3.9941   1.8900  19.020  5.8270 21.059  5.6201 -2.039608      8.095660 
1 1 1 16 9  59 o 15.656  4.8815 2.1113   1.3277  2.9218   2.3404  1.7266   1.6122  18.355  6.5009 14.861  5.3801 3.494608       8.438382 
1 1 1 16 9  60 o 13.492  4.8687 1.3971   1.3188  2.2672   2.4137  1.0269   1.5745  17.028  6.5001 13.101  5.1791 3.927631       8.311080 
1 1 1 16 9  61 o 43.914  2.0944 15.388   1.4418  14.283   2.1543  16.286   1.9405  41.634  3.3285 44.799  2.7768 -3.165012      4.334639 
1 1 1 16 9  62 o 17.009  4.6315 2.5602   1.2682  2.8061   1.9578  2.3824   1.6648  17.698  5.9604 16.487  5.4963 1.211515       8.107726 
1 1 1 16 9  63 o 25.721  3.3389 5.5170   1.3145  5.0268   1.9772  5.9054   1.7598  23.423  5.4816 26.044  4.4713 -2.620859      7.073985 
1 1 1 16 9  64 o 8.5977  3.9672 -0.7900  1.2465  0.0335   1.8321  -1.4996  1.7007  11.831  5.1803 9.4231  4.4409 2.408283       6.823338 
1 1 1 16 9  65 o 39.453  2.3722 12.572   1.4604  15.122   2.1972  10.554   1.9546  42.706  3.3078 35.482  3.5620 7.223732       4.860943 
1 1 1 16 9  66 o 9.8662  4.3491 -0.1271  1.3110  2.6433   1.8443  -2.9570  1.8640  17.025  5.7848 8.6115  4.2046 8.412988       7.151406 
1 1 1 16 9  67 o 30.957  3.2635 8.0197   1.5599  8.6560   2.0104  7.0569   2.4729  31.576  4.1628 27.114  5.9785 4.461546       7.285039 
1 1 1 16 9  68 o 47.272  2.5960 18.263   1.9164  20.042   2.7541  16.592   2.6685  48.589  3.6421 43.930  3.9158 4.658432       5.347794 
1 1 1 16 9  69 o 14.147  5.3207 1.6681   1.6027  1.1659   2.2390  2.1957   2.2952  14.101  5.9397 15.931  6.2673 -1.829891      8.634727 
1 1 1 16 10 0  o 45.368  2.9076 16.350   2.0485  16.350   2.0485  16.350   2.0485  45.368  2.9076 45.368  2.9076 -0.000000      0.000000 
1 1 1 16 10 1  o 119.732 1.4277 112.443  2.6798  109.824  3.7393  115.209  3.8424  118.291 2.0165 121.156 2.0230 -2.864967      2.856361 
1 1 1 16 10 2  o 99.490  1.4427 77.639   2.2501  77.774   3.2034  77.507   3.1612  99.543  2.0528 99.373  2.0292 0.1698761      2.886487 
1 1 1 16 10 3  o 95.886  1.4584 72.117   2.1922  72.685   3.1093  71.556   3.0913  96.230  2.0611 95.479  2.0653 0.7508698      2.917814 
1 1 1 16 10 4  o 229.454 1.7353 413.091  6.2419  403.169  8.6542  423.849  9.0114  226.572 2.4365 232.303 2.4745 -5.730972      3.472709 
1 1 1 16 10 5  o 77.429  1.5876 47.032   1.9270  45.283   2.5900  49.201   2.8841  75.948  2.1754 79.156  2.3242 -3.207848      3.183438 
1 1 1 16 10 6  o 73.587  1.6350 42.484   1.8861  48.751   2.8668  37.700   2.5045  78.793  2.3209 69.290  2.3057 9.502785       3.271519 
1 1 1 16 10 7  o 38.615  2.3029 11.751   1.3877  11.788   2.0022  11.716   1.9251  38.562  3.3452 38.459  3.2228 0.1032600      4.645067 
1 1 1 16 10 8  o 100.174 1.5063 78.719   2.3655  75.646   3.5017  81.299   3.2081  98.149  2.2759 101.770 2.0108 -3.621376      3.036922 
1 1 1 16 10 9  o 153.150 1.5356 184.005  3.6869  181.290  4.9536  187.377  5.5204  151.962 2.0794 154.468 2.2797 -2.505722      3.085596 
1 1 1 16 10 10 o 140.366 1.5819 154.578  3.4810  151.722  4.4629  159.015  5.5625  139.019 2.0478 142.268 2.4941 -3.248901      3.227055 
1 1 1 16 10 11 o 46.159  2.3536 16.779   1.6974  15.326   2.1283  19.320   2.8139  44.029  3.1033 49.387  3.6605 -5.358212      4.798938 
1 1 1 16 10 12 o 80.904  1.8318 51.373   2.3233  52.364   2.9223  49.671   3.8301  81.651  2.2830 79.457  3.0749 2.194084       3.829764 
1 1 1 16 10 13 o 51.420  2.1898 20.765   1.7652  22.735   2.2566  17.661   2.8332  53.777  2.6768 47.169  3.8655 6.608173       4.701801 
1 1 1 16 10 14 o 64.425  2.1217 32.595   2.1428  32.682   2.7996  32.473   3.3298  64.467  2.7702 64.130  3.3234 0.3365860      4.326547 
1 1 1 16 10 15 o 105.781 1.7389 87.824   2.8836  87.506   3.6123  88.382   4.7874  105.549 2.1831 105.993 2.8812 -0.4448013     3.614861 
1 1 1 16 10 16 o 101.465 1.6499 80.797   2.6244  80.364   3.4751  81.373   4.0036  101.144 2.1917 101.743 2.5101 -0.5983047     3.332300 
1 1 1 16 10 17 f 107.328 1.7467 90.425   2.9389  92.269   4.1817  88.625   4.1313  108.340 2.4621 106.176 2.4820 2.163834       3.496053 
1 1 1 16 10 18 o 26.051  3.6790 5.4592   1.4607  3.8799   1.9095  7.6869   2.2679  21.675  5.5848 30.772  4.8627 -9.097496      7.405128 
1 1 1 16 10 19 o 108.942 1.6342 93.159   2.7910  87.056   3.6316  101.963  4.3622  105.254 2.2009 113.876 2.4436 -8.622002      3.288610 
1 1 1 16 10 20 o 117.050 1.6436 107.549  3.0159  110.667  4.1216  103.955  4.4248  118.663 2.2156 114.973 2.4550 3.689659       3.306951 
1 1 1 16 10 21 o 63.835  1.7518 31.997   1.7531  31.021   2.4769  32.977   2.4816  62.795  2.5161 64.752  2.4447 -1.956650      3.508203 
1 1 1 16 10 22 o 59.477  1.9443 27.791   1.8129  29.306   2.8283  26.735   2.3618  60.985  2.9583 58.284  2.5849 2.700512       3.928535 
1 1 1 16 10 23 o 33.831  2.8487 9.0802   1.4968  9.1464   2.3327  9.0339   1.9514  33.650  4.5378 33.593  3.7706 0.5664444E-01  5.899895 
1 1 1 16 10 24 o 33.081  2.8572 8.6877   1.4672  5.6057   2.1940  11.181   1.9734  26.003  5.5511 37.475  3.3960 -11.47201      6.507470 
1 1 1 16 10 25 o 103.271 1.6355 83.751   2.6478  82.571   4.0131  84.660   3.5237  102.414 2.4996 103.758 2.1663 -1.343552      3.307684 
1 1 1 16 10 26 o 142.238 1.7756 158.947  3.9594  155.530  5.6002  162.363  5.5985  140.532 2.5420 143.600 2.4869 -3.067902      3.556214 
1 1 1 16 10 27 o 115.866 1.6463 105.446  2.9902  106.742  4.6090  104.504  3.9295  116.414 2.5255 115.258 2.1748 1.155228       3.332824 
1 1 1 16 10 28 o 41.500  2.2763 13.595   1.4752  15.532   2.1334  11.821   2.0422  44.240  3.0956 38.507  3.4185 5.732716       4.611810 
1 1 1 16 10 29 o 142.576 1.6819 159.713  3.7593  158.596  5.7101  160.568  4.9944  141.856 2.5677 142.830 2.2306 -0.9744568     3.401260 
1 1 1 16 10 30 o 10.191  4.2807 0.1283   1.1577  -1.2330  1.6063  1.5998   1.6700  9.7684  4.5061 15.254  5.4819 -5.485567      7.096225 
1 1 1 16 10 31 o 81.824  1.5505 52.594   1.9889  50.177   2.6774  55.571   2.9710  79.843  2.1390 84.006  2.2560 -4.162750      3.108828 
1 1 1 16 10 32 o 78.325  1.5742 48.199   1.9329  48.855   2.6475  47.451   2.8287  78.777  2.1438 77.607  2.3250 1.170197       3.162544 
1 1 1 16 10 33 o 54.303  1.8400 23.191   1.5664  22.865   2.1372  23.569   2.3024  53.840  2.5322 54.640  2.6879 -0.7999077     3.692815 
1 1 1 16 10 34 o 19.129  4.4436 3.0401   1.3070  1.4741   1.7290  5.1286   1.9967  15.040  5.5518 24.778  5.3006 -9.737967      7.675827 
1 1 1 16 10 35 o 41.550  2.1487 13.635   1.3948  13.443   1.8823  13.868   2.0773  41.121  2.9393 41.716  3.2008 -0.5952606     4.345634 
1 1 1 16 10 36 o 75.137  1.6093 44.379   1.8956  42.732   2.5551  46.396   2.8271  73.635  2.2135 76.700  2.3512 -3.065491      3.229216 
1 1 1 16 10 37 o 34.237  2.4835 9.3007   1.3238  8.0341   1.7892  10.833   1.9679  31.565  3.6853 36.767  3.4546 -5.202726      5.051299 
1 1 1 16 10 38 o 16.457  4.5267 2.2434   1.2044  -0.1438  1.6330  5.0905   1.7834  11.439  4.9509 24.760  4.7675 -13.32049      6.873191 
1 1 1 16 10 39 o 48.407  1.9601 18.455   1.4874  18.395   2.0427  18.523   2.1702  48.148  2.7174 48.280  2.8805 -0.1320496     3.959942 
1 1 1 16 10 40 o 34.750  2.4934 9.5894   1.3493  7.5528   1.8250  12.045   2.0039  30.509  3.9054 38.787  3.3279 -8.278152      5.130987 
1 1 1 16 10 41 o 84.002  1.6507 55.513   2.1738  54.082   2.7681  57.816   3.5111  82.810  2.1323 85.488  2.6199 -2.678093      3.377932 
1 1 1 16 10 42 o 42.509  2.1232 14.255   1.4149  13.250   1.9224  15.442   2.0902  40.742  3.0315 43.996  3.0493 -3.253948      4.299809 
1 1 1 16 10 43 o 11.340  4.4758 0.6105   1.1742  0.5452   1.6745  0.6737   1.6471  12.791  5.2394 12.968  5.2391 -0.1765766     7.409429 
1 1 1 16 10 44 o 88.440  1.6741 61.578   2.3210  62.772   3.1832  60.223   3.3915  89.127  2.2782 87.234  2.4800 1.892921       3.367635 
1 1 1 16 10 45 o 35.661  2.5708 10.128   1.4276  10.581   1.9742  9.6316   2.0668  36.210  3.5225 34.420  3.8991 1.790047       5.254647 
1 1 1 16 10 46 o 39.619  2.5437 12.493   1.5715  12.241   1.9761  12.927   2.5921  39.026  3.2598 39.790  4.2199 -0.7638206     5.332386 
1 1 1 16 10 47 o 26.319  3.2919 5.6202   1.3285  5.1094   1.7142  6.3882   2.1020  24.690  4.5981 27.516  5.0594 -2.826235      6.836628 
1 1 1 16 10 48 o 48.004  2.0893 18.221   1.5723  16.510   2.0243  20.823   2.4963  45.439  2.8563 50.949  3.1407 -5.510323      4.245323 
1 1 1 16 10 49 o 12.495  4.6765 1.0085   1.2352  0.2478   1.5825  2.1943   1.9759  11.825  4.9880 16.883  5.9739 -5.057311      7.782505 
1 1 1 16 10 50 o 11.045  4.6404 0.2410   1.3608  0.0509   1.8568  0.4615   2.0003  12.321  5.3058 13.413  5.6301 -1.092700      7.736287 
1 1 1 16 10 51 o 92.043  1.6924 66.876   2.4421  67.373   3.2877  66.263   3.6476  92.123  2.2765 91.214  2.5509 0.9091034      3.418958 
1 1 1 16 10 52 o 27.730  3.1374 6.2568   1.3399  6.2851   1.8278  6.2240   1.9700  27.324  4.4177 27.017  4.8285 0.3073063      6.544487 
1 1 1 16 10 53 o 62.422  1.8164 30.831   1.7775  30.860   2.4736  30.799   2.5558  62.176  2.5378 62.075  2.6264 0.1013260      3.652183 
1 1 1 16 10 54 o 22.380  3.9039 4.2123   1.3198  3.5220   1.8303  4.9600   1.9050  19.922  5.6178 23.767  5.2527 -3.844196      7.690930 
1 1 1 16 10 55 o 35.816  2.4928 10.309   1.3909  11.762   1.9507  8.8072   1.9838  37.920  3.3148 32.471  3.9805 5.449272       5.179935 
1 1 1 16 10 56 o 22.007  3.9899 4.1148   1.3258  6.3719   1.8678  1.8227   1.8822  27.243  4.5327 15.516  5.7795 11.72716       7.344993 
1 1 1 16 10 57 o 30.057  3.1157 7.4116   1.4468  8.5245   1.9477  6.0418   2.1609  31.825  3.9918 25.939  5.4855 5.886087       6.784158 
1 1 1 16 10 58 o 41.931  2.3119 14.117   1.5138  12.975   1.9830  15.712   2.3437  39.759  3.2089 43.621  3.4556 -3.862000      4.715702 
1 1 1 16 10 59 o 10.838  4.6366 0.1825   1.4010  0.5591   1.6828  -0.6684  2.5294  12.372  5.1767 12.820  5.8149 -0.4479218     7.785314 
1 1 1 16 10 60 o 15.594  5.1888 2.1037   1.4840  1.4230   2.0281  2.8883   2.1772  14.723  5.8596 17.951  6.2775 -3.227705      8.587293 
1 1 1 16 10 61 o 11.153  4.5308 0.5921   1.2392  -0.4990  1.7529  1.6823   1.7521  10.830  4.8829 14.780  5.5623 -3.950099      7.401509 
1 1 1 16 10 62 o 14.636  5.1243 1.7919   1.4509  0.8173   2.2540  2.4814   1.8960  14.033  5.9378 16.764  5.8584 -2.731447      8.341323 
1 1 1 16 10 63 o 30.635  2.9260 7.7243   1.3881  6.5706   2.0321  8.7336   1.9007  27.070  4.9718 32.053  3.8603 -4.983154      6.294483 
1 1 1 16 10 64 o 10.859  4.5151 0.4534   1.2687  0.5932   1.8640  0.3327   1.7317  12.716  5.3912 11.945  5.1337 0.7709198      7.444472 
1 1 1 16 10 65 o 23.036  3.8667 4.5920   1.3469  2.8117   1.9679  6.1610   1.8474  17.350  5.9737 26.245  4.6609 -8.895819      7.576857 
1 1 1 16 10 66 o 47.364  2.2617 18.117   1.6793  17.050   2.2620  19.428   2.5067  45.182  3.2145 48.123  3.3435 -2.941673      4.638100 
1 1 1 16 10 67 o 25.351  4.2401 5.7176   1.6256  9.4093   2.4437  2.7875   2.1771  31.917  5.0522 17.048  6.2397 14.86856       8.028632 
1 1 1 16 11 0  o 79.822  2.1531 50.096   2.6898  50.096   2.6898  50.096   2.6898  79.822  2.1531 79.822  2.1531 0.000000       0.000000 
1 1 1 16 11 1  o 157.715 1.4901 195.170  3.6843  198.783  5.2706  191.717  5.1522  159.087 2.1133 156.235 2.1036 2.851532       2.981810 
1 1 1 16 11 2  o 152.701 1.4737 182.953  3.5278  187.654  5.0645  178.522  4.9169  154.572 2.0900 150.765 2.0804 3.806717       2.948899 
1 1 1 16 11 3  o 137.029 1.4476 147.324  3.1097  144.059  4.3448  150.753  4.4529  135.437 2.0463 138.548 2.0502 -3.110352      2.896645 
1 1 1 16 11 4  o 28.492  2.8840 6.4524   1.2704  4.5718   1.7881  8.3694   1.8053  23.579  4.9929 32.380  3.6183 -8.801411      6.166149 
1 1 1 16 11 5  o 36.284  2.4021 10.393   1.3586  9.2685   2.0138  11.332   1.8407  34.057  3.8389 37.806  3.1339 -3.749332      4.955637 
1 1 1 16 11 6  o 61.391  1.6631 29.581   1.6006  31.563   2.3137  27.762   2.2166  63.374  2.3289 59.432  2.3791 3.941990       3.329209 
1 1 1 16 11 7  o 111.500 1.4218 97.544   2.4853  99.346   3.5510  95.814   3.4795  112.469 2.0140 110.452 2.0095 2.017014       2.845049 
1 1 1 16 11 8  o 64.156  1.6831 32.308   1.6927  36.758   2.6175  29.109   2.2193  68.378  2.4418 60.858  2.3262 7.520409       3.372478 
1 1 1 16 11 9  o 41.080  2.1138 13.292   1.3567  13.474   1.9240  13.113   1.9133  41.260  2.9950 40.696  3.0205 0.5637550      4.253673 
1 1 1 16 11 10 o 122.597 1.4736 117.944  2.8321  115.405  3.7829  121.183  4.2718  121.214 1.9908 124.184 2.1943 -2.969749      2.962787 
1 1 1 16 11 11 o 52.746  1.8374 21.847   1.5193  22.378   2.0633  21.218   2.2454  53.344  2.4673 51.849  2.7725 1.495132       3.711407 
1 1 1 16 11 12 o 84.681  1.4731 56.275   1.9556  56.836   2.7520  55.702   2.7794  85.053  2.0640 84.197  2.1057 0.8563690      2.948571 
1 1 1 16 11 13 o 100.533 1.5740 79.332   2.4807  80.451   3.5389  78.251   3.4783  101.168 2.2314 99.776  2.2237 1.391617       3.150225 
1 1 1 16 11 14 o 26.214  3.1572 5.4945   1.2713  5.4140   1.7073  5.5948   1.9048  25.791  4.3793 26.140  4.8260 -0.3486328     6.516773 
1 1 1 16 11 15 o 69.781  1.6028 38.227   1.7534  40.158   2.4086  36.050   2.5573  71.478  2.1495 67.699  2.4096 3.778992       3.229067 
1 1 1 16 11 16 o 104.129 1.4813 85.106   2.4181  83.691   3.2484  86.865   3.6212  103.200 2.0079 105.113 2.1976 -1.913109      2.976721 
1 1 1 16 11 17 f 125.122 1.4830 122.888  2.9089  120.034  3.8907  126.505  4.3803  123.588 2.0082 126.841 2.2029 -3.253632      2.980832 
1 1 1 16 11 18 o 49.781  1.8721 19.470   1.4609  18.804   1.9633  20.297   2.1869  48.803  2.5753 50.682  2.7629 -1.879276      3.776978 
1 1 1 16 11 19 o 56.889  1.8281 25.427   1.6303  25.809   2.0907  24.834   2.6042  57.274  2.3285 56.037  2.9751 1.237003       3.778034 
1 1 1 16 11 20 f 111.307 1.5538 97.280   2.7113  98.335   3.5068  95.713   4.2751  111.845 2.0000 110.259 2.4733 1.585388       3.180784 
1 1 1 16 11 21 o 72.778  1.7530 41.612   2.0000  41.342   2.6664  41.961   3.0242  72.475  2.3468 72.975  2.6435 -0.5001831     3.534962 
1 1 1 16 11 22 o 25.855  3.4077 5.3760   1.3476  4.1797   1.8004  6.9001   2.0320  22.420  5.2200 29.092  4.6093 -6.671816      6.963775 
1 1 1 16 11 23 o 33.505  2.7022 8.9075   1.4072  8.8886   1.8528  8.9333   2.1633  33.312  3.6055 33.261  4.2458 0.5095673E-01  5.570143 
1 1 1 16 11 24 o 37.620  2.5432 11.204   1.4911  12.174   1.9874  9.9543   2.2553  39.101  3.2722 35.144  4.1752 3.956837       5.304690 
1 1 1 16 11 25 o 65.865  1.8153 34.102   1.8744  36.203   2.5863  31.778   2.7202  67.787  2.4338 63.467  2.7340 4.320110       3.660379 
1 1 1 16 11 26 o 62.191  1.7722 30.403   1.7278  31.610   2.4367  29.182   2.4502  63.332  2.4544 60.835  2.5691 2.496326       3.553079 
1 1 1 16 11 27 o 34.565  2.4796 9.4664   1.3347  9.7519   1.8778  9.1749   1.8975  34.908  3.4776 33.816  3.6366 1.091785       5.031737 
1 1 1 16 11 28 o 11.479  4.5514 0.5816   1.2193  -0.0230  1.5497  1.5642   1.9756  11.384  4.8735 15.796  5.9139 -4.412024      7.663227 
1 1 1 16 11 29 o 81.834  1.7221 52.649   2.2093  54.119   2.9973  50.900   3.2692  82.870  2.3072 80.310  2.5967 2.559868       3.473591 
1 1 1 16 11 30 o 42.010  2.2545 13.946   1.4793  12.354   1.8867  16.488   2.3835  39.388  3.0801 45.474  3.3674 -6.086369      4.563565 
1 1 1 16 11 31 o 8.5551  3.9309 -0.8679  1.2058  -0.8690  1.4221  -0.8652  2.2746  9.4951  4.3272 12.558  5.6201 -3.062936      7.092935 
1 1 1 16 11 32 o 64.071  1.7061 32.282   1.7136  35.196   2.1797  27.567   2.7728  66.847  2.0800 58.928  3.0116 7.918556       3.660105 
1 1 1 16 11 33 f 34.574  2.4474 9.4815   1.3180  8.7713   1.6233  10.855   2.2576  33.113  3.1657 36.671  3.9915 -3.557636      5.094519 
1 1 1 16 11 34 o 47.663  2.0817 17.900   1.5554  17.906   1.8853  17.888   2.7525  47.544  2.5387 47.232  3.7481 0.3119888      4.526930 
1 1 1 16 11 35 o 32.398  2.7345 8.3612   1.3759  10.285   1.8182  5.7837   2.1046  35.842  3.2720 26.276  5.2921 9.565701       6.221912 
1 1 1 16 11 36 o 34.560  2.6670 9.5025   1.4338  9.9610   1.8919  8.8839   2.1975  35.213  3.4725 33.002  4.3538 2.211472       5.568990 
1 1 1 16 11 37 o 58.911  2.0574 27.357   1.9001  27.987   2.4565  26.420   2.9978  59.478  2.6345 57.537  3.3380 1.941727       4.252357 
1 1 1 16 11 38 o 19.279  4.5648 3.1132   1.3583  1.6348   1.7790  5.1799   2.1033  15.441  5.6421 24.726  5.5611 -9.284593      7.922014 
1 1 1 16 11 39 o 53.590  2.0505 22.648   1.7226  23.305   2.3167  21.836   2.5761  54.166  2.7372 52.313  3.1560 1.852612       4.177654 
1 1 1 16 11 40 o 61.401  1.9510 29.722   1.8779  29.671   2.2817  29.829   3.3065  61.263  2.3757 61.040  3.4698 0.2236328      4.205158 
1 1 1 16 11 41 o 47.644  2.2518 17.937   1.6819  18.228   2.2782  17.589   2.4935  47.774  3.0580 46.817  3.4211 0.9568481      4.588560 
1 1 1 16 11 42 o 9.3850  4.1895 -0.4596  1.2556  -0.1108  1.6218  -0.9816  1.9837  11.387  4.9309 11.359  5.1512 0.2740479E-01  7.130830 
1 1 1 16 11 43 o 53.614  1.9579 22.684   1.6455  23.732   2.1745  21.280   2.5172  54.713  2.5353 51.568  3.1285 3.144543       4.026822 
1 1 1 16 11 44 o 36.622  2.6194 10.701   1.4939  10.201   2.0279  11.294   2.2092  35.442  3.7045 37.265  3.8365 -1.822769      5.333125 
1 1 1 16 11 45 o 46.795  2.2195 17.334   1.6282  19.727   2.4669  15.487   2.1673  49.566  3.1918 43.903  3.1703 5.663235       4.498705 
1 1 1 16 11 46 o 16.266  5.1215 2.1874   1.4575  1.1927   2.3759  2.7875   1.8455  15.613  6.2977 18.223  5.7659 -2.609950      8.538568 
1 1 1 16 11 47 o 24.629  4.0776 5.0496   1.5193  8.3280   2.5104  3.1546   1.9085  31.252  5.3143 19.175  5.8308 12.07609       7.889224 
1 1 1 16 11 48 o 22.739  4.3752 4.3662   1.5030  4.8276   2.1906  3.9559   2.0659  23.392  5.9575 21.221  5.9630 2.171778       8.429059 
1 1 1 16 11 49 o 28.373  3.1734 6.5492   1.3873  7.0080   2.0317  6.1483   1.8989  28.792  4.6606 26.928  4.6674 1.863514       6.595914 
1 1 1 16 11 50 o 12.922  4.8248 1.1297   1.3132  2.3743   1.8889  -0.0344  1.8268  17.021  5.8531 12.007  5.2166 5.014156       7.840385 
1 1 1 16 11 51 o 23.774  3.8450 4.7276   1.3841  6.0748   1.9884  3.4612   1.9278  26.526  4.9641 19.761  5.8262 6.764725       7.654253 
1 1 1 16 11 52 o 15.099  4.7574 1.9226   1.2574  2.5354   1.9096  1.4536   1.6706  17.312  5.8864 14.396  5.4286 2.916155       8.007473 
1 1 1 16 11 53 o 33.859  2.6387 9.2549   1.3895  8.5514   2.0327  9.8719   1.9038  31.860  4.1699 34.574  3.5635 -2.714291      5.485137 
1 1 1 16 11 54 o 65.481  1.7619 33.997   1.8086  35.214   2.7209  33.034   2.4209  66.185  2.6224 64.231  2.4043 1.954201       3.557730 
1 1 1 16 11 55 o 19.020  4.2573 3.1414   1.2377  4.1913   1.7992  2.1981   1.7054  21.548  5.3507 16.112  5.5603 5.435764       7.716684 
1 1 1 16 11 56 o 16.811  4.5676 2.4893   1.2351  4.8173   1.7666  0.2632   1.7275  23.257  4.9945 11.978  5.1372 11.27872       7.164860 
1 1 1 16 11 57 o 11.054  4.4577 0.6031   1.1900  0.4967   1.6461  0.7196   1.7224  12.136  5.1014 12.750  5.2778 -0.6141701     7.340287 
1 1 1 16 11 58 o 20.566  4.1599 3.6780   1.2951  3.0550   1.7647  4.4052   1.9067  18.258  5.6172 21.833  5.5567 -3.575129      7.901205 
1 1 1 16 11 59 o 13.472  4.7385 1.4713   1.2414  2.7886   1.7672  0.1881   1.7441  17.501  5.6535 11.818  5.1156 5.683603       7.624384 
1 1 1 16 11 60 o 6.7785  3.3501 -2.7079  1.3038  -2.2379  2.0151  -3.0464  1.7100  9.7107  4.6492 8.0460  3.9490 1.664655       6.099947 
1 1 1 16 11 61 o 7.1573  3.4807 -1.9649  1.2420  -2.4634  1.7827  -1.4948  1.7313  8.7425  4.2323 9.4890  4.4746 -0.7465448     6.159151 
1 1 1 16 11 62 o 20.503  4.4746 3.7537   1.3979  3.6424   1.8330  3.9083   2.1609  19.607  5.6529 20.033  6.2245 -0.4264908     8.408363 
1 1 1 16 11 63 o 8.6546  3.9785 -0.6755  1.2372  -2.1339  1.7344  0.8355   1.7654  8.8158  4.2446 12.837  5.3309 -4.021136      6.814317 
1 1 1 16 11 64 o 13.738  5.0198 1.5639   1.4082  5.4485   2.2203  -1.0503  1.8214  23.517  6.0023 10.158  4.7247 13.35815       7.638745 
1 1 1 16 11 65 o 14.988  4.8709 2.0530   1.3105  1.9937   1.9730  2.0998   1.7531  15.240  5.8627 15.300  5.5993 -0.6003952E-01 8.107004 
1 1 1 16 11 66 o 22.178  4.7839 4.5973   1.6144  5.3131   2.4680  4.0619   2.1344  22.253  6.6003 19.772  6.1933 2.480791       9.050962 
1 1 1 16 12 0  o 4.8093  3.5111 -3.8130  1.5988  -3.8130  1.5988  -3.8130  1.5988  4.8093  3.5111 4.8093  3.5111 0.000000       0.000000 
1 1 1 16 12 1  f 26.032  3.1034 5.4186   1.2415  4.8323   1.7541  6.0072   1.7574  24.245  4.7850 27.212  4.2592 -2.967312      6.406049 
1 1 1 16 12 2  o 39.868  2.1156 12.530   1.3175  12.258   1.8658  12.800   1.8607  39.312  3.0515 40.188  2.9746 -0.8754158     4.261433 
1 1 1 16 12 3  o 132.006 1.4305 136.767  2.9602  135.936  4.1658  137.614  4.2073  131.518 2.0205 132.326 2.0282 -0.8079376     2.862870 
1 1 1 16 12 4  o 40.474  2.2477 12.922   1.4205  14.030   1.9942  11.780   2.0240  42.073  3.0441 38.478  3.3900 3.595161       4.556164 
1 1 1 16 12 5  o 8.6687  3.9442 -0.7246  1.1754  2.3452   1.6948  -3.5691  1.6314  17.295  5.5312 7.6462  3.7730 9.648554       6.695476 
1 1 1 16 12 6  o 77.595  1.4903 47.264   1.8129  45.798   2.5402  48.785   2.5880  76.324  2.1230 78.777  2.0956 -2.452644      2.983109 
1 1 1 16 12 7  o 45.552  1.9575 16.306   1.3979  17.293   2.0111  15.384   1.9444  46.771  2.7550 44.094  2.8278 2.676727       3.947973 
1 1 1 16 12 8  o 61.897  1.6446 30.086   1.5959  27.855   2.2174  32.484   2.2985  59.498  2.3774 64.261  2.2816 -4.763474      3.295092 
1 1 1 16 12 9  o 21.270  3.6863 3.6798   1.1846  6.1209   1.6873  1.3067   1.6636  27.508  4.0323 14.566  5.4321 12.94181       6.765140 
1 1 1 16 12 10 o 124.687 1.4165 122.034  2.7689  120.411  3.8993  123.686  3.9325  123.766 2.0097 125.439 1.9998 -1.673683      2.835147 
1 1 1 16 12 11 o 46.996  1.8903 17.357   1.3927  16.530   1.9441  18.228   1.9960  45.720  2.7249 48.028  2.6615 -2.308002      3.808972 
1 1 1 16 12 12 o 44.480  1.9697 15.552   1.3735  16.554   1.9966  14.653   1.8923  45.739  2.7980 43.019  2.8216 2.720295       3.973749 
1 1 1 16 12 13 o 67.019  1.5826 35.273   1.6627  33.775   2.3234  36.846   2.3804  65.516  2.2622 68.434  2.2189 -2.918358      3.168746 
1 1 1 16 12 14 o 42.972  2.0122 14.520   1.3556  15.226   1.9830  13.901   1.8573  43.836  2.9020 41.886  2.8454 1.950184       4.064245 
1 1 1 16 12 15 o 112.575 1.4322 99.498   2.5275  98.327   3.5488  100.703  3.6005  111.820 2.0245 113.162 2.0296 -1.342087      2.866670 
1 1 1 16 12 16 o 101.958 1.4943 81.632   2.3885  81.884   3.2222  81.325   3.5584  102.040 2.0143 101.652 2.2330 0.3872299      3.007282 
1 1 1 16 12 17 o 59.471  1.7511 27.794   1.6325  27.775   2.2310  27.815   2.3951  59.384  2.3965 59.405  2.5718 -0.2132797E-01 3.515359 
1 1 1 16 12 18 o 78.065  1.5872 47.871   1.9425  47.366   2.5969  48.512   2.9266  77.584  2.1352 78.480  2.3788 -0.8960495     3.196512 
1 1 1 16 12 19 o 65.479  1.6671 33.690   1.7113  33.245   2.3063  34.234   2.5526  64.978  2.2641 65.909  2.4705 -0.9302216     3.351079 
1 1 1 16 12 20 o 28.858  2.7357 6.6300   1.2228  7.4744   1.6292  5.5406   1.8505  30.523  3.4663 25.943  4.7242 4.580519       5.859453 
1 1 1 16 12 21 o 88.714  1.5198 61.823   2.1137  59.715   2.8207  64.521   3.1920  87.108  2.0656 90.512  2.2496 -3.403641      3.054045 
1 1 1 16 12 22 o 99.899  1.5029 78.397   2.3537  79.593   3.2091  77.004   3.4627  100.567 2.0355 98.877  2.2339 1.689453       3.022199 
1 1 1 16 12 23 f 11.497  4.5234 0.6220   1.1958  -1.6603  1.5607  3.8669   1.8609  9.0568  4.2640 21.484  5.5014 -12.42751      6.960380 
1 1 1 16 12 24 o 28.150  2.8157 6.3231   1.2259  4.9708   1.6656  7.9219   1.8110  24.566  4.4903 31.349  3.7602 -6.782694      5.856784 
1 1 1 16 12 25 o 33.187  2.4803 8.7370   1.2811  7.2969   1.7040  10.609   1.9428  30.078  3.6913 36.404  3.4452 -6.325413      5.049256 
1 1 1 16 12 26 o 88.624  1.5212 61.721   2.1134  60.253   2.8190  63.604   3.1935  87.472  2.0558 89.827  2.2678 -2.354759      3.060884 
1 1 1 16 12 27 o 57.889  1.7803 26.361   1.6157  27.010   2.1619  25.540   2.4315  58.518  2.3566 56.843  2.7287 1.675014       3.605471 
1 1 1 16 12 28 f 24.055  3.3522 4.6800   1.2298  3.0178   1.6510  6.7515   1.8431  19.028  5.3250 28.768  4.2117 -9.739847      6.789255 
1 1 1 16 12 29 o 57.994  1.7766 26.463   1.6152  27.138   2.2098  25.688   2.3666  58.637  2.4040 57.007  2.6482 1.629765       3.576590 
1 1 1 16 12 30 o 47.765  2.2409 17.995   1.6780  19.293   2.1382  15.912   2.7073  49.301  2.7779 44.470  3.9236 4.830616       4.807406 
1 1 1 16 12 31 o 91.455  1.8963 65.861   2.7187  65.187   3.1982  67.617   5.1622  90.902  2.2443 92.130  3.5742 -1.227669      4.220408 
1 1 1 16 12 32 o 65.851  2.0742 34.182   2.1412  37.081   2.8592  30.480   3.2311  68.461  2.6640 61.817  3.3466 6.643810       4.277521 
1 1 1 16 12 33 o 71.785  2.1961 40.657   2.4714  38.764   2.9848  44.784   4.4073  69.972  2.7210 74.777  3.7718 -4.805214      4.650861 
1 1 1 16 12 34 o 36.617  2.8337 10.690   1.6140  10.204   1.9982  11.601   2.7373  35.577  3.6338 37.610  4.7485 -2.032719      5.979375 
1 1 1 16 12 35 o 23.470  4.9311 4.6249   1.7566  3.3763   2.4456  5.9557   2.5248  20.325  6.6562 26.341  6.2146 -6.015614      9.106390 
1 1 1 16 12 36 o 15.906  5.3015 1.9821   1.5489  0.5539   2.2836  3.1990   2.1079  14.507  6.0468 19.635  6.1554 -5.127571      8.628617 
1 1 1 16 12 37 o 14.841  5.2494 1.6081   1.5255  -0.8683  2.2924  3.5766   2.0438  12.505  5.6158 20.537  5.9830 -8.032165      8.205682 
1 1 1 16 12 38 o 58.615  2.1045 27.128   1.9338  25.184   2.6819  29.233   2.7909  56.170  3.0572 60.638  2.9359 -4.468109      4.238633 
1 1 1 16 12 39 o 47.458  2.3477 17.824   1.7467  18.912   2.4182  16.636   2.5256  48.592  3.1923 45.436  3.5747 3.155895       4.792676 
1 1 1 16 12 40 o 53.856  2.1206 22.922   1.7904  22.788   2.4600  23.073   2.6107  53.417  2.9491 53.694  3.1149 -0.2770653     4.289473 
1 1 1 16 12 41 o 27.972  3.2366 6.3349   1.3930  6.3509   1.8110  6.3118   2.1801  27.678  4.3144 27.243  5.2954 0.4348526      6.830437 
1 1 1 16 12 42 o 28.619  3.0988 6.6177   1.3681  5.4332   1.7575  8.4387   2.1793  25.446  4.5740 31.889  4.4830 -6.443314      6.404607 
1 1 1 16 12 43 o 40.969  2.2535 13.341   1.4418  15.326   1.9402  10.892   2.1546  43.748  2.8445 36.522  3.8197 7.225868       4.762494 
1 1 1 16 12 44 o 46.742  2.0724 17.295   1.5185  16.369   2.0276  18.478   2.2916  45.182  2.8776 47.944  3.0651 -2.761673      4.204173 
1 1 1 16 12 45 o 16.374  4.9316 2.2626   1.3701  0.8360   1.7617  4.4462   2.1795  13.430  5.4210 22.426  6.0569 -8.996033      8.128479 
1 1 1 16 12 46 o 27.670  3.3822 6.2638   1.4366  6.5459   1.8466  5.8314   2.2864  27.928  4.3601 25.722  5.8075 2.205637       7.262075 
1 1 1 16 12 47 o 18.558  4.5679 2.9632   1.3200  4.3532   1.7076  0.8990   2.0808  22.410  4.9888 14.259  5.8406 8.150976       7.681244 
1 1 1 16 12 48 o 53.337  1.9304 22.548   1.6141  21.692   2.1423  23.671   2.4547  52.005  2.6364 54.203  2.8993 -2.197712      3.918731 
1 1 1 16 12 49 o 42.273  2.1863 14.258   1.4439  12.108   1.8887  17.283   2.2399  38.576  3.1507 46.148  3.1144 -7.572460      4.430147 
1 1 1 16 12 50 o 12.586  4.7048 1.0929   1.2495  2.6840   1.6890  -0.8303  1.8569  17.519  5.5128 10.872  4.9508 6.647579       7.409583 
1 1 1 16 12 51 o 35.051  2.5840 9.9161   1.4099  10.169   1.8918  9.6008   2.1144  35.091  3.4849 33.781  4.0750 1.310505       5.361955 
1 1 1 16 12 52 f 50.102  1.9552 19.971   1.5357  18.697   2.1702  21.249   2.1733  47.976  2.8992 51.265  2.7139 -3.289223      3.971206 
1 1 1 16 12 53 o 35.241  2.4641 10.024   1.3528  8.7437   1.8657  11.444   1.9644  32.291  3.7557 37.193  3.4070 -4.902065      5.070776 
1 1 1 16 12 54 f 30.395  2.8199 7.5486   1.3284  8.2832   1.8564  6.7779   1.9016  31.319  3.8629 27.946  4.4927 3.372963       5.925108 
1 1 1 16 12 55 o 12.435  4.6311 1.1232   1.2084  0.3594   1.6796  1.9427   1.7398  11.950  5.0937 15.374  5.5853 -3.423256      7.559197 
1 1 1 16 12 56 o 17.556  4.5522 2.7459   1.2633  4.0016   1.8030  1.5348   1.7707  20.797  5.4606 14.440  5.5542 6.356981       7.788910 
1 1 1 16 12 57 o 35.050  2.5513 9.9809   1.3922  7.9936   1.9697  11.965   1.9681  30.416  4.2467 37.930  3.3441 -7.514132      5.405362 
1 1 1 16 12 58 o 43.948  2.3937 15.616   1.6429  15.372   2.3479  15.850   2.2998  42.851  3.5264 43.621  3.3897 -0.7692871     4.891352 
1 1 1 16 12 59 o 9.2402  4.2071 -0.5719  1.3403  0.2249   2.0950  -1.1239  1.7438  12.680  5.5460 9.9242  4.6182 2.755544       7.217040 
1 1 1 16 12 60 o 12.953  4.9258 1.2411   1.3828  2.0312   2.1896  0.7170   1.7835  15.823  6.1511 12.687  5.3203 3.136114       8.132757 
1 1 1 16 12 61 o 9.3400  4.2330 -0.4641  1.3372  -3.6695  2.0050  2.1038   1.7946  8.5025  4.1931 15.509  5.6668 -7.006362      7.049434 
1 1 1 16 12 62 o 38.834  2.5715 12.353   1.5567  11.588   2.2913  13.009   2.1214  36.456  4.0792 39.163  3.4920 -2.707298      5.369745 
1 1 1 16 12 63 o 20.711  4.2776 3.8724   1.3429  4.9242   1.8871  2.7936   1.9113  22.594  5.4011 16.960  5.8845 5.633987       7.987431 
1 1 1 16 12 64 o 10.538  4.5235 0.3067   1.3415  -2.3524  1.9316  2.7842   1.8644  9.1008  4.4057 16.781  5.8125 -7.679887      7.293499 
1 1 1 16 13 0  f 135.301 2.0601 143.804  4.3673  143.804  4.3673  143.804  4.3673  135.301 2.0601 135.301 2.0601 0.000000       0.000000 
1 1 1 16 13 1  o 125.255 1.4334 123.188  2.8145  125.604  4.0070  120.835  3.9542  126.368 2.0227 123.943 2.0351 2.425285       2.869281 
1 1 1 16 13 2  o 102.198 1.4422 82.011   2.3105  84.329   3.2852  79.742   3.2501  103.543 2.0239 100.682 2.0592 2.861740       2.887303 
1 1 1 16 13 3  o 42.838  2.0716 14.437   1.3912  13.541   1.8863  15.506   2.0601  41.310  2.9318 44.210  2.9901 -2.899765      4.187592 
1 1 1 16 13 4  o 61.170  1.6532 29.398   1.5854  26.916   2.1677  32.253   2.3246  58.459  2.3654 63.999  2.3169 -5.539780      3.311067 
1 1 1 16 13 5  o 91.955  1.4466 66.399   2.0853  66.693   2.9487  66.105   2.9495  92.076  2.0428 91.668  2.0525 0.4077148      2.895827 
1 1 1 16 13 6  o 77.374  1.5200 47.021   1.8437  49.408   2.6255  44.698   2.5897  79.239  2.1135 75.357  2.1921 3.882469       3.045079 
1 1 1 16 13 7  o 121.036 1.4506 115.042  2.7525  113.896  3.8956  116.184  3.8897  120.317 2.0653 121.525 2.0417 -1.207657      2.904148 
1 1 1 16 13 8  o 62.973  1.6335 31.158   1.6127  31.150   2.2747  31.166   2.2866  62.891  2.3072 62.906  2.3187 -0.1496887E-01 3.271032 
1 1 1 16 13 9  o 194.178 1.6193 296.247  4.9293  294.913  6.9373  297.608  7.0055  193.514 2.2868 194.391 2.2989 -0.8773651     3.242537 
1 1 1 16 13 10 o 46.051  1.9833 16.683   1.4318  15.857   1.9148  17.729   2.1564  44.741  2.7432 47.286  2.9234 -2.544636      4.008907 
1 1 1 16 13 11 o 70.380  1.5502 38.913   1.7104  40.995   2.4396  36.900   2.3987  72.163  2.1565 68.453  2.2352 3.709900       3.105901 
1 1 1 16 13 12 o 79.392  1.5113 49.513   1.8810  48.016   2.6526  51.026   2.6677  78.094  2.1667 80.513  2.1136 -2.419540      3.026837 
1 1 1 16 13 13 o 90.269  1.4445 63.999   2.0441  64.413   2.8958  63.588   2.8859  90.470  2.0418 89.887  2.0480 0.5824966      2.891924 
1 1 1 16 13 14 o 45.210  1.9148 16.079   1.3571  16.252   1.9083  15.902   1.9303  45.293  2.6999 44.790  2.7626 0.5030174      3.862791 
1 1 1 16 13 15 o 82.361  1.5013 53.291   1.9384  53.700   2.7271  52.872   2.7558  82.587  2.1064 81.941  2.1453 0.6458130      3.006527 
1 1 1 16 13 16 o 72.033  1.5308 40.769   1.7286  41.297   2.4547  40.248   2.4347  72.412  2.1624 71.485  2.1726 0.9270782      3.065315 
1 1 1 16 13 17 f 70.744  1.5471 39.328   1.7158  40.026   2.4084  38.608   2.4449  71.286  2.1551 70.000  2.2280 1.285133       3.099745 
1 1 1 16 13 18 o 121.041 1.5114 115.120  2.8678  115.691  3.8660  114.422  4.2763  121.220 2.0344 120.490 2.2640 0.7304459      3.043729 
1 1 1 16 13 19 o 27.701  2.9856 6.1416   1.2760  7.5456   1.7564  4.5722   1.8569  30.575  3.7425 23.371  5.2021 7.203783       6.408462 
1 1 1 16 13 20 o 56.591  1.7899 25.193   1.5879  25.158   2.1116  25.238   2.4088  56.473  2.3852 56.509  2.7191 -0.3603745E-01 3.617010 
1 1 1 16 13 21 o 56.626  1.7798 25.226   1.5799  27.129   2.1532  23.006   2.3254  58.646  2.3421 53.870  2.7628 4.775379       3.621967 
1 1 1 16 13 22 o 25.555  3.3305 5.2698   1.3025  5.7810   1.7508  4.6362   1.9493  26.537  4.3601 23.473  5.4085 3.063868       6.947137 
1 1 1 16 13 23 o 50.380  2.0811 20.000   1.6436  20.723   2.2429  19.161   2.4157  51.098  2.8107 49.048  3.1585 2.050438       4.228025 
1 1 1 16 13 24 o 93.895  1.7681 69.373   2.6026  69.976   3.2804  68.348   4.2757  94.196  2.2214 92.883  2.9364 1.313736       3.682026 
1 1 1 16 13 25 o 7.6144  3.6944 -2.2945  1.3777  -2.5006  1.7955  -1.9995  2.1481  9.0918  4.3623 10.829  5.0677 -1.737068      6.686604 
1 1 1 16 13 26 o 59.679  1.9444 28.055   1.8191  26.995   2.3884  29.520   2.8074  58.426  2.6076 61.026  2.9345 -2.600456      3.925640 
1 1 1 16 13 27 o 76.865  1.9901 46.557   2.3981  47.792   3.1702  44.904   3.6664  77.732  2.6015 75.203  3.1100 2.529762       4.054609 
1 1 1 16 13 28 o 32.702  3.1047 8.5668   1.5726  9.1261   2.2110  7.9942   2.2371  33.440  4.3185 31.140  4.7316 2.300230       6.406008 
1 1 1 16 13 29 o 57.400  2.1099 25.988   1.8986  28.336   2.6931  23.669   2.6769  59.776  2.8739 54.483  3.1476 5.293148       4.262231 
1 1 1 16 13 30 o 95.023  1.8106 71.115   2.6972  70.900   3.7869  71.336   3.8426  94.657  2.5520 94.938  2.5818 -0.2806625     3.630225 
1 1 1 16 13 31 o 53.465  2.1966 22.569   1.8411  22.697   2.3122  22.347   3.0435  53.434  2.7698 52.730  3.7053 0.7040253      4.626149 
1 1 1 16 13 32 f 12.425  4.7220 0.9177   1.2702  2.0709   1.6308  -0.8609  2.0254  16.251  5.4402 11.673  5.2571 4.578761       7.565235 
1 1 1 16 13 33 o 102.739 1.7006 83.124   2.7389  80.695   3.6481  86.263   4.1464  101.030 2.3034 104.363 2.5344 -3.333405      3.424721 
1 1 1 16 13 34 o 49.217  2.0513 19.122   1.5827  18.544   2.2354  19.703   2.2411  48.194  2.9733 49.707  2.8884 -1.513012      4.145315 
1 1 1 16 13 35 o 75.186  1.7876 44.559   2.1070  43.114   3.1175  45.773   2.8587  73.694  2.6985 76.033  2.3983 -2.339455      3.610235 
1 1 1 16 13 36 o 68.780  1.7672 37.294   1.9055  36.985   2.6845  37.608   2.7052  68.297  2.5073 68.870  2.5056 -0.5729141     3.544677 
1 1 1 16 13 37 o 39.325  2.3308 12.290   1.4305  13.095   1.9439  11.340   2.1126  40.389  3.0937 37.394  3.6503 2.995338       4.784959 
1 1 1 16 13 38 o 60.362  1.8238 28.753   1.7258  30.942   2.3975  26.399   2.4863  62.450  2.4490 57.591  2.7538 4.858223       3.685224 
1 1 1 16 13 39 o 48.503  2.1570 18.624   1.6401  18.656   2.1018  18.575   2.6226  48.309  2.7871 47.930  3.5148 0.3783379      4.485781 
1 1 1 16 13 40 o 75.442  1.7911 44.936   2.1183  44.249   2.7184  45.999   3.3799  74.679  2.3220 75.914  2.8400 -1.235374      3.668451 
1 1 1 16 13 41 o 34.295  3.0013 9.4853   1.5974  9.6493   2.1504  9.2833   2.3860  34.192  4.0931 33.267  4.7065 0.9251633      6.237341 
1 1 1 16 13 42 o 38.131  2.7889 11.680   1.6555  12.746   2.2428  10.404   2.4539  39.505  3.6631 35.275  4.5432 4.229862       5.836014 
1 1 1 16 13 43 o 39.794  2.6638 12.704   1.6522  13.062   2.2071  12.247   2.4919  40.002  3.5566 38.426  4.2053 1.575790       5.507575 
1 1 1 16 13 44 f 49.797  2.2827 19.728   1.7819  19.989   2.3931  19.403   2.6696  49.736  3.0845 48.783  3.5144 0.9530449      4.676021 
1 1 1 16 13 45 o 44.153  2.3177 15.572   1.5986  13.431   2.2527  17.745   2.2690  40.465  3.5883 46.798  3.1105 -6.333145      4.748803 
1 1 1 16 13 46 o 30.942  2.8375 7.7605   1.3611  6.5959   1.8092  9.2789   2.0658  27.929  4.2678 33.329  4.0361 -5.400400      5.874017 
1 1 1 16 13 47 o 53.235  1.8821 22.488   1.5707  23.023   2.2133  21.945   2.2293  53.551  2.6365 52.170  2.7354 1.380844       3.799098 
1 1 1 16 13 48 o 22.588  3.7538 4.3024   1.2826  3.6185   1.7937  5.0179   1.8348  20.022  5.5313 23.820  5.0692 -3.797865      7.502843 
1 1 1 16 13 49 o 13.438  4.7816 1.4101   1.2676  1.5119   1.7788  1.3051   1.8067  14.569  5.5757 14.177  5.5658 0.3923187      7.878195 
1 1 1 16 13 50 o 23.920  3.6737 4.8270   1.3336  5.3200   1.8684  4.3150   1.9041  24.435  5.0446 21.698  5.5694 2.736790       7.514432 
1 1 1 16 13 51 o 41.887  2.2515 14.097   1.4730  13.837   2.1109  14.343   2.0565  40.921  3.3191 41.763  3.1646 -0.8421135     4.585949 
1 1 1 16 13 52 o 15.103  4.7808 1.9905   1.2686  0.5930   1.7935  3.3898   1.7947  12.651  5.3218 19.143  5.6150 -6.492061      7.736308 
1 1 1 16 13 53 o 18.126  4.5069 2.9254   1.2752  -0.5902  1.7488  6.9180   1.8636  10.659  4.8348 28.219  4.3528 -17.56012      6.505499 
1 1 1 16 13 54 o 25.494  3.4647 5.4748   1.3488  5.6992   1.8857  5.2398   1.9301  25.168  4.9558 23.896  5.2918 1.271124       7.250021 
1 1 1 16 13 55 o 28.762  3.0553 6.8562   1.3565  6.8294   1.9231  6.8828   1.9138  27.827  4.5669 27.970  4.5188 -0.1423950     6.424655 
1 1 1 16 13 56 o 11.648  4.6391 0.7977   1.2721  3.2014   1.8088  -1.5545  1.7893  18.440  5.6891 9.5957  4.5323 8.844335       7.273770 
1 1 1 16 13 57 o 12.945  4.9244 1.2372   1.3823  0.9567   1.8673  1.5774   2.0561  13.304  5.5002 14.788  5.8954 -1.484360      8.062746 
1 1 1 16 13 58 o 31.903  3.1478 8.4969   1.5538  8.4685   1.9988  8.5402   2.4702  31.139  4.2018 30.325  5.3937 0.8142776      6.837204 
1 1 1 16 13 59 o 20.870  4.5355 3.9501   1.4415  1.8772   2.0067  6.1603   2.0721  15.153  5.8891 25.597  5.3367 -10.44360      7.947472 
1 1 1 16 13 60 f 15.614  5.1077 2.2589   1.4402  0.6301   2.0286  3.9143   2.0451  12.878  5.5458 19.730  6.0431 -6.851926      8.202114 
1 1 1 16 13 61 f 26.393  3.8603 6.1114   1.5500  8.5565   2.1684  3.5565   2.2165  30.601  4.6678 18.551  6.3416 12.05005       7.874254 
1 1 1 16 13 62 o 14.157  5.0696 1.8144   1.4270  1.9250   2.0603  1.7125   1.9784  14.909  5.9147 14.422  5.7716 0.4871941      8.264068 
1 1 1 16 14 0  o 83.151  2.1148 54.406   2.7527  54.406   2.7527  54.406   2.7527  83.151  2.1148 83.151  2.1148 0.000000       0.000000 
1 1 1 16 14 1  o 35.658  2.3317 10.067   1.2962  7.1171   1.7571  13.588   1.9199  29.656  3.8719 41.334  2.9830 -11.67728      4.887720 
1 1 1 16 14 2  o 56.926  1.7429 25.484   1.5554  24.314   2.1813  26.694   2.2184  55.507  2.5068 58.172  2.4326 -2.665169      3.493077 
1 1 1 16 14 3  o 82.275  1.5204 53.192   1.9610  55.868   2.8105  50.654   2.7376  84.218  2.1287 80.183  2.1778 4.035202       3.045406 
1 1 1 16 14 4  o 79.526  1.5159 49.697   1.8899  48.401   2.6405  51.057   2.7063  78.384  2.1488 80.507  2.1443 -2.122650      3.035691 
1 1 1 16 14 5  o 90.385  1.4824 64.189   2.1005  66.626   3.0269  61.925   2.9174  91.974  2.0993 88.670  2.0987 3.304161       2.968466 
1 1 1 16 14 6  o 50.350  1.8387 19.945   1.4513  20.606   2.0494  19.280   2.0555  51.024  2.5703 49.331  2.6678 1.692410       3.704545 
1 1 1 16 14 7  o 47.145  2.0069 17.500   1.4833  17.074   2.2342  17.836   1.9835  46.326  3.0942 47.439  2.6781 -1.113514      4.092170 
1 1 1 16 14 8  o 114.405 1.5039 102.853  2.6973  102.416  3.6305  103.392  4.0297  114.043 2.0307 114.527 2.2445 -0.4835358     3.026787 
1 1 1 16 14 9  o 109.957 1.4408 94.993   2.4836  96.004   3.5390  94.012   3.4862  110.409 2.0447 109.260 2.0353 1.149414       2.885026 
1 1 1 16 14 10 f 58.694  1.7760 27.100   1.6342  26.510   2.1996  27.827   2.4413  57.961  2.4208 59.349  2.6240 -1.387829      3.570064 
1 1 1 16 14 11 o 81.386  1.5720 52.068   2.0056  54.239   3.0190  50.354   2.6833  82.925  2.3224 79.937  2.1412 2.987625       3.158832 
1 1 1 16 14 12 o 25.612  3.1011 5.2733   1.2198  6.3505   1.7316  4.2123   1.7185  27.916  4.0769 22.432  5.0130 5.483910       6.461518 
1 1 1 16 14 13 o 74.782  1.8494 44.014   2.1681  46.974   3.0763  41.092   3.0562  77.115  2.5447 72.090  2.7043 5.024994       3.713317 
1 1 1 16 14 14 o 56.122  2.0792 24.818   1.8293  27.434   2.6658  22.490   2.5148  58.863  2.8889 53.186  3.0287 5.676773       4.185562 
1 1 1 16 14 15 o 52.392  2.1928 21.644   1.8010  21.604   2.5649  21.683   2.5295  52.087  3.1560 52.195  3.1054 -0.1081467     4.427628 
1 1 1 16 14 16 o 79.933  1.8407 50.294   2.3066  50.892   3.2384  49.678   3.2861  80.244  2.5743 79.263  2.6446 0.9807434      3.690695 
1 1 1 16 14 17 o 84.407  1.9459 56.115   2.5748  58.231   3.9119  54.498   3.4202  85.728  2.9108 83.017  2.6280 2.710960       3.921632 
1 1 1 16 14 18 o 45.047  2.4431 16.075   1.7188  15.016   2.3919  17.206   2.4716  43.275  3.5573 46.378  3.4236 -3.103924      4.937190 
1 1 1 16 14 19 o 89.451  1.8069 62.991   2.5338  69.203   4.1876  59.403   3.1824  93.456  2.8583 86.740  2.3404 6.716560       3.694191 
1 1 1 16 14 20 f 16.506  4.8099 2.2490   1.3208  0.4347   1.7854  4.4420   1.9629  12.940  5.3663 22.898  5.5305 -9.957725      7.706061 
1 1 1 16 14 21 o 37.439  2.6401 11.146   1.5396  14.075   2.0608  7.4471   2.3161  41.974  3.1550 29.910  5.1238 12.06380       6.017258 
1 1 1 16 14 22 o 93.696  1.7196 69.099   2.5259  67.391   3.3394  71.383   3.8614  92.378  2.3059 94.981  2.5933 -2.603630      3.470232 
1 1 1 16 14 23 o 8.7508  4.0097 -0.8321  1.2429  0.0323   1.6732  -1.8961  1.8565  11.844  5.0672 9.8914  4.6550 1.953002       6.880799 
1 1 1 16 14 24 o 34.802  2.4838 9.6275   1.3463  9.9058   1.8162  9.2881   2.0056  35.111  3.3399 33.852  3.8476 1.258629       5.095001 
1 1 1 16 14 25 o 22.188  3.7009 4.0375   1.2419  4.5148   1.6723  3.4507   1.8545  23.215  4.7552 20.191  5.6411 3.023287       7.377886 
1 1 1 16 14 26 o 20.570  3.9681 3.5054   1.2332  3.1881   1.6288  3.9316   1.8880  19.424  5.2318 21.488  5.5616 -2.064161      7.635666 
1 1 1 16 14 27 o 11.554  4.5338 0.6689   1.1983  1.6644   1.6281  -0.5076  1.7700  15.176  5.4171 11.288  5.0105 3.887839       7.379053 
1 1 1 16 14 28 o 58.461  1.8979 26.948   1.7394  29.914   2.4704  24.033   2.4495  61.444  2.5647 54.933  2.8543 6.511303       3.837241 
1 1 1 16 14 29 o 40.142  2.2754 12.782   1.4260  15.110   1.9766  10.255   2.0594  43.498  2.9155 35.563  3.7504 7.934727       4.750343 
1 1 1 16 14 30 o 49.922  2.2445 19.709   1.7566  21.484   2.6653  18.345   2.3356  51.758  3.3020 47.868  3.1297 3.889606       4.549516 
1 1 1 16 14 31 o 54.795  2.0799 23.722   1.7866  22.642   2.3911  25.087   2.6882  53.269  2.8740 56.010  3.0733 -2.741016      4.207757 
1 1 1 16 14 32 o 96.785  1.6493 73.807   2.5024  76.474   3.5890  71.283   3.4909  98.266  2.3298 94.865  2.3473 3.401291       3.307237 
1 1 1 16 14 33 o 12.807  4.7856 1.0618   1.2925  2.0020   1.8559  0.1762   1.8010  16.297  5.7872 12.412  5.2822 3.885117       7.835355 
1 1 1 16 14 34 o 66.869  1.8127 35.289   1.9002  34.177   2.6654  36.439   2.7097  65.573  2.5928 67.723  2.5523 -2.149483      3.638261 
1 1 1 16 14 35 o 31.775  3.1688 8.1621   1.5574  6.1413   2.1819  10.261   2.2237  26.743  5.3906 35.331  4.0905 -8.587578      6.766909 
1 1 1 16 14 36 o 29.730  3.0610 7.1469   1.4062  6.4855   1.9344  7.8881   2.0478  27.780  4.6030 30.792  4.3645 -3.011719      6.343214 
1 1 1 16 14 37 o 29.579  3.1241 7.0915   1.4267  6.7667   2.0293  7.4089   2.0062  28.300  4.7418 29.767  4.4346 -1.467161      6.492364 
1 1 1 16 14 38 o 31.887  2.8899 8.2016   1.4289  7.6903   1.9115  8.8491   2.1512  30.435  4.1115 32.593  4.3165 -2.157461      5.961274 
1 1 1 16 14 39 o 27.268  3.2727 6.0736   1.3710  3.9709   1.8460  8.6603   2.0475  21.266  5.4971 32.277  4.1420 -11.01023      6.882926 
1 1 1 16 14 40 o 42.223  2.3462 14.234   1.5469  15.835   2.1396  12.481   2.2390  44.244  3.1044 38.994  3.7073 5.250622       4.835422 
1 1 1 16 14 41 o 27.626  3.2262 6.2444   1.3709  4.9158   1.8407  7.8993   2.0544  23.745  5.0972 30.605  4.4090 -6.860243      6.739515 
1 1 1 16 14 42 o 42.136  2.3069 14.193   1.5181  14.677   2.1046  13.668   2.1917  42.481  3.1834 40.858  3.4542 1.623833       4.697401 
1 1 1 16 14 43 o 50.064  2.0193 19.918   1.5848  20.322   2.1710  19.457   2.3187  50.198  2.7696 48.977  3.0349 1.220539       4.108695 
1 1 1 16 14 44 o 35.455  2.7672 10.181   1.5258  10.384   2.1645  9.9810   2.1514  35.213  3.9915 34.480  4.0577 0.7327652      5.691854 
1 1 1 16 14 45 o 38.427  2.3846 11.870   1.4294  11.794   2.0720  11.938   1.9745  37.749  3.5428 38.090  3.3405 -0.3412971     4.869260 
1 1 1 16 14 46 o 38.399  2.3722 11.864   1.4210  9.1164   1.9519  14.963   2.0727  32.940  3.8527 42.755  3.1138 -9.814945      4.953666 
1 1 1 16 14 47 o 46.713  2.2007 17.460   1.6116  19.239   2.2220  15.485   2.3409  48.575  2.9316 43.214  3.4851 5.360653       4.554163 
1 1 1 16 14 48 o 21.320  4.5952 4.0205   1.4905  5.4174   2.1634  2.7583   2.0565  24.120  5.7941 17.555  6.1032 6.564278       8.415504 
1 1 1 16 14 49 o 19.820  4.7745 3.5260   1.4659  5.0316   2.1007  2.0972   2.0464  23.158  5.7993 16.020  6.0148 7.137518       8.355258 
1 1 1 16 14 50 o 26.437  3.7200 5.9371   1.4991  3.8578   2.1372  7.9512   2.1034  20.067  6.1829 30.089  4.6057 -10.02230      7.709782 
1 1 1 16 14 51 o 20.304  4.6597 3.7016   1.4518  3.9126   2.2252  3.5453   1.9156  20.087  6.3288 19.350  5.8321 0.7366009      8.606262 
1 1 1 16 14 52 o 12.205  4.7616 0.9809   1.3157  -0.8693  1.8126  3.0417   1.9130  10.446  4.8070 18.003  5.8865 -7.556614      7.599905 
1 1 1 16 14 53 o 42.085  2.3840 14.346   1.5664  12.765   2.1642  16.086   2.2700  38.904  3.5890 43.919  3.3215 -5.015079      4.890141 
1 1 1 16 14 54 o 44.617  2.2582 16.082   1.5743  18.526   2.2424  13.707   2.2108  47.336  3.0378 40.323  3.5330 7.013214       4.659432 
1 1 1 16 14 55 o 15.895  5.1070 2.3077   1.4435  2.9937   2.0334  1.6106   2.0497  17.705  6.0736 14.761  5.8857 2.943932       8.457530 
1 1 1 16 14 56 f 26.440  3.7344 6.0268   1.5048  4.7212   2.1495  7.2817   2.1073  21.787  6.0684 28.210  4.9454 -6.423285      7.828317 
1 1 1 16 14 57 o 26.623  3.6517 6.1119   1.4839  4.9828   2.0480  7.3598   2.1531  22.507  5.7757 28.164  5.0627 -5.657034      7.680511 
1 1 1 16 14 58 o 15.910  5.0160 2.3808   1.3977  2.6878   1.9251  2.0385   2.0324  16.660  5.8965 15.294  5.9314 1.365700       8.363648 
1 1 1 16 14 59 o 9.6377  4.2933 -0.1342  1.3111  -1.5885  1.8531  1.3232   1.8551  9.5324  4.5345 13.566  5.5310 -4.034033      7.152211 
1 1 1 16 15 0  o 40.501  3.9447 13.322   2.4500  13.322   2.4500  13.322   2.4500  40.501  3.9447 40.501  3.9447 0.000000       0.000000 
1 1 1 16 15 1  o 138.473 1.8637 150.992  4.0457  151.641  5.7416  150.351  5.7016  138.448 2.6454 137.861 2.6382 0.5870819      3.736054 
1 1 1 16 15 2  o 12.654  5.0930 0.6496   1.5501  0.3737   2.0013  1.0633   2.4506  13.477  5.6428 15.813  6.3898 -2.336692      8.524729 
1 1 1 16 15 3  o 104.634 1.7239 86.156   2.8277  86.134   3.8121  86.182   4.2162  104.451 2.3281 104.396 2.5762 0.5509186E-01  3.472300 
1 1 1 16 15 4  o 35.639  3.4814 10.208   1.9202  12.291   2.6172  7.7799   2.8259  38.880  4.3696 30.257  6.1669 8.623293       7.558082 
1 1 1 16 15 5  o 37.427  3.2325 11.213   1.8780  11.205   2.6740  11.221   2.6381  36.988  4.7191 37.038  4.6458 -0.5005646E-01 6.622168 
1 1 1 16 15 6  o 54.617  2.5456 23.587   2.1795  24.962   3.0491  22.149   3.1166  55.867  3.4991 52.514  3.8118 3.353382       5.174321 
1 1 1 16 15 7  o 51.427  2.4007 20.893   1.9355  20.561   2.5532  21.341   2.9677  50.760  3.2252 51.577  3.6948 -0.8166580     4.904456 
1 1 1 16 15 8  o 24.692  3.8727 4.9869   1.4498  4.7783   2.0528  5.1945   2.0478  23.733  5.6066 24.802  5.4183 -1.068808      7.796924 
1 1 1 16 15 9  o 25.848  3.4934 5.4164   1.3793  6.2416   1.9536  4.5962   1.9476  27.448  4.7097 23.303  5.4317 4.144743       7.189193 
1 1 1 16 15 10 o 59.075  2.0173 27.510   1.8682  28.103   2.8133  27.043   2.4987  59.424  3.0300 58.434  2.7277 0.9893761      4.076940 
1 1 1 16 15 11 o 49.911  1.9440 19.631   1.5211  21.082   2.1721  18.233   2.1307  51.529  2.6983 47.874  2.8520 3.655052       3.926129 
1 1 1 16 15 12 o 75.406  1.6081 44.733   1.9010  46.278   2.7315  43.283   2.6473  76.556  2.2760 74.035  2.2809 2.520340       3.222244 
1 1 1 16 15 13 o 46.938  1.9911 17.368   1.4651  19.213   2.1007  15.621   2.0443  49.170  2.7361 44.267  2.9630 4.903141       4.033086 
1 1 1 16 15 14 o 65.939  1.6598 34.218   1.7158  35.185   2.4586  33.300   2.3956  66.730  2.3503 64.917  2.3539 1.812866       3.326387 
1 1 1 16 15 15 o 27.563  2.9834 6.1011   1.2685  8.6484   1.8370  3.7791   1.7539  32.706  3.6448 21.120  5.3045 11.58583       6.435988 
1 1 1 16 15 16 o 39.322  2.1853 12.244   1.3418  8.9688   1.8377  15.983   1.9638  33.328  3.5730 44.806  2.8100 -11.47805      4.545572 
1 1 1 16 15 17 o 42.349  2.0708 14.150   1.3748  14.672   1.9400  13.623   1.9485  42.894  2.9021 41.294  3.0311 1.600147       4.196450 
1 1 1 16 15 18 o 10.304  4.3215 0.1749   1.1769  0.4028   1.6278  -0.0747  1.7034  12.357  5.1241 11.745  5.0699 0.6114407      7.208361 
1 1 1 16 15 19 o 33.766  2.5114 9.0744   1.3198  8.7711   1.8620  9.3807   1.8711  32.910  3.6717 34.081  3.5544 -1.170189      5.110346 
1 1 1 16 15 20 o 32.588  2.5603 8.4628   1.2975  8.7955   1.8525  8.1424   1.8177  32.956  3.6468 31.671  3.7329 1.285736       5.218543 
1 1 1 16 15 21 o 34.942  2.4287 9.7091   1.3221  6.7467   1.7697  13.451   1.9889  28.693  4.0468 40.982  3.1192 -12.28969      5.109396 
1 1 1 16 15 22 o 28.786  3.0510 6.6680   1.3559  6.4182   1.8119  6.9860   2.0439  27.892  4.2805 29.002  4.6528 -1.109928      6.322289 
1 1 1 16 15 23 o 78.799  1.6448 48.900   2.0318  50.062   2.7431  47.488   3.0243  79.583  2.1987 77.418  2.4919 2.165314       3.323241 
1 1 1 16 15 24 o 93.145  1.5844 68.312   2.3135  64.921   3.0738  72.743   3.5139  90.628  2.1635 95.866  2.3382 -5.237679      3.185543 
1 1 1 16 15 25 o 73.912  1.6950 43.048   1.9640  43.489   2.6626  42.522   2.9086  74.128  2.2912 73.220  2.5340 0.9075775      3.416239 
1 1 1 16 15 26 o 47.944  2.0699 18.165   1.5558  18.491   2.1359  17.796   2.2706  48.120  2.8440 47.125  3.0907 0.9951134      4.200073 
1 1 1 16 15 27 o 41.618  2.4069 13.776   1.5636  11.891   2.1824  15.764   2.2414  38.279  3.6823 44.275  3.2521 -5.996071      4.912764 
1 1 1 16 15 28 o 42.141  2.5332 14.151   1.6657  14.426   2.3901  13.892   2.3227  42.184  3.6502 41.404  3.6147 0.7803383      5.137123 
1 1 1 16 15 29 o 26.674  3.5332 5.8154   1.4411  3.4622   1.9897  8.4116   2.0899  20.049  5.9212 31.891  4.2891 -11.84206      7.311425 
1 1 1 16 15 30 o 29.243  3.1830 6.9281   1.4356  5.9296   2.0131  7.9616   2.0480  26.392  5.0495 30.971  4.3371 -4.579290      6.656375 
1 1 1 16 15 31 o 7.2317  3.5451 -2.6018  1.3650  -1.7240  1.7931  -3.8116  2.1050  9.7463  4.5830 9.0401  4.4254 0.7061834      6.370853 
1 1 1 16 15 32 o 59.357  1.9279 27.864   1.7939  25.848   2.4982  30.009   2.5776  56.890  2.8011 61.346  2.6802 -4.456455      3.876870 
1 1 1 16 15 33 o 30.340  3.0075 7.4464   1.4116  6.7310   1.9967  8.1612   1.9959  28.223  4.6767 31.353  4.1637 -3.129946      6.261645 
1 1 1 16 15 34 o 32.074  3.0044 8.3222   1.4930  4.8858   2.0910  11.897   2.1326  23.538  5.7222 38.156  3.6081 -14.61756      6.764785 
1 1 1 16 15 35 o 56.800  2.1270 25.606   1.8940  22.240   2.4994  30.145   2.9025  52.512  3.0493 61.244  3.0231 -8.731831      4.293929 
1 1 1 16 15 36 o 26.342  3.4430 5.7111   1.3878  5.8854   1.9808  5.5431   1.9451  26.099  5.0236 25.283  5.0836 0.8152771      7.146991 
1 1 1 16 15 37 o 25.130  3.7461 5.2594   1.4307  7.3416   2.0288  3.1999   2.0178  29.408  4.5475 19.073  6.0284 10.33526       7.551296 
1 1 1 16 15 38 o 83.594  1.7422 55.312   2.2831  58.936   3.3165  52.047   3.1478  85.873  2.4636 80.682  2.4887 5.191017       3.501862 
1 1 1 16 15 39 o 40.152  2.4795 12.948   1.5530  13.261   2.2252  12.650   2.1686  40.127  3.5748 39.189  3.5690 0.9382477      5.051417 
1 1 1 16 15 40 f 20.359  4.4133 3.5915   1.3680  3.6174   1.9038  3.5638   1.9669  19.994  5.7600 19.830  5.8946 0.1642475      8.241617 
1 1 1 16 15 41 o 8.8395  4.0995 -0.9759  1.3560  0.7589   1.9029  -2.7658  1.9329  13.359  5.5400 9.1039  4.4072 4.255274       7.079180 
1 1 1 16 15 42 o 34.373  2.8683 9.6290   1.5315  9.3509   2.1982  9.8913   2.1348  33.081  4.3437 34.208  4.0601 -1.126957      5.945817 
1 1 1 16 15 43 o 17.656  5.2013 2.8017   1.5370  4.2506   2.3032  1.6383   2.0638  21.160  6.3990 15.225  5.9569 5.934393       8.742553 
1 1 1 16 15 44 o 67.507  1.8316 36.259   1.9384  36.225   2.8802  36.288   2.6207  66.856  2.7480 67.111  2.4910 -0.2546921     3.709038 
1 1 1 16 15 45 o 13.944  5.0740 1.5421   1.4367  2.0391   2.0201  1.0334   2.0436  15.869  5.9725 13.960  5.7613 1.909013       8.298371 
1 1 1 16 15 46 o 43.591  2.3304 15.330   1.5868  14.061   2.3069  16.469   2.1861  40.923  3.6336 44.678  3.1411 -3.754711      4.803116 
1 1 1 16 15 47 o 9.7550  4.3537 -0.2872  1.3551  -0.5812  1.9714  -0.0237  1.8659  11.293  5.1266 11.759  5.1856 -0.4655066     7.291984 
1 1 1 16 15 48 o 12.831  5.0162 1.1128   1.4626  2.4456   2.2737  0.1720   1.9103  16.784  6.3321 12.139  5.3031 4.644217       8.259464 
1 1 1 16 15 49 o 15.405  5.2582 2.1005   1.5239  1.4065   2.3383  2.6128   2.0091  14.933  6.1627 16.930  6.0204 -1.997421      8.615286 
1 1 1 16 15 50 o 42.748  2.6445 14.928   1.7635  11.388   2.5533  18.158   2.4386  35.836  4.6550 46.596  3.3610 -10.75972      5.741485 
1 1 1 16 15 51 o 18.640  4.9230 3.2089   1.4600  5.1485   2.1652  1.5916   1.9771  22.984  5.9594 14.641  5.7985 8.342903       8.314856 
1 1 1 16 15 52 f 40.248  2.5324 13.225   1.5897  14.443   2.4008  12.273   2.1214  41.105  3.7676 38.006  3.6037 3.099289       5.213588 
1 1 1 16 15 53 o 7.3637  3.6033 -2.3374  1.3916  -1.8457  2.1043  -2.7196  1.8551  10.162  4.8334 8.6736  4.2260 1.488226       6.420391 
1 1 1 16 15 54 o 23.020  4.9249 4.9315   1.7236  4.7597   2.5771  5.0705   2.3184  21.114  6.8278 22.202  6.3443 -1.087370      9.320362 
1 1 1 16 15 55 o 23.558  5.3837 5.3596   1.9448  5.2127   2.9140  5.4776   2.6115  21.475  7.2716 22.473  6.8177 -0.9976654     9.967813 
1 1 1 16 15 56 o 11.841  5.2062 0.2867   1.8674  1.8368   2.9056  -0.8043  2.4375  15.627  6.6811 11.804  5.4820 3.822614       8.642375 
1 1 1 16 15 57 o 16.922  5.8349 2.9181   1.8778  2.9279   2.8560  2.9105   2.4922  16.940  6.8796 16.837  6.5576 0.1036205      9.504256 
1 1 1 16 16 0  o 57.858  3.7899 26.693   3.4037  26.693   3.4037  26.693   3.4037  57.858  3.7899 57.858  3.7899 0.000000       0.000000 
1 1 1 16 16 1  o 18.803  7.1368 3.8316   1.9761  3.8316   1.9761  3.8316   1.9761  18.803  7.1368 18.803  7.1368 0.000000       0.000000 
1 1 1 16 16 2  o 137.561 2.1658 148.877  4.6678  148.877  4.6678  148.877  4.6678  137.561 2.1658 137.561 2.1658 0.000000       0.000000 
1 1 1 16 16 3  o 40.300  3.7360 13.165   2.3137  13.165   2.3137  13.165   2.3137  40.300  3.7360 40.300  3.7360 0.000000       0.000000 
1 1 1 16 16 4  o 53.383  3.0041 22.676   2.4958  22.676   2.4958  22.676   2.4958  53.383  3.0041 53.383  3.0041 0.000000       0.000000 
1 1 1 16 16 5  o 7.0439  4.9754 -2.6342  2.2203  -2.6342  2.2203  -2.6342  2.2203  7.0439  4.9754 7.0439  4.9754 0.000000       0.000000 
1 1 1 16 16 6  o 50.713  4.2339 20.804   3.3120  20.804   3.3120  20.804   3.3120  50.713  4.2339 50.713  4.2339 0.000000       0.000000 
1 1 1 16 16 7  o 17.748  7.7272 3.6381   2.2294  3.6381   2.2294  3.6381   2.2294  17.748  7.7272 17.748  7.7272 0.000000       0.000000 
1 1 1 16 16 8  o 82.643  2.7373 53.974   3.5375  53.974   3.5375  53.974   3.5375  82.643  2.7373 82.643  2.7373 0.000000       0.000000 
1 1 1 16 16 9  o 5.6762  4.0960 -3.3850  1.8563  -3.3850  1.8563  -3.3850  1.8563  5.6762  4.0960 5.6762  4.0960 0.000000       0.000000 
1 1 1 16 16 10 o 33.029  4.1817 9.0461   2.0707  9.0461   2.0707  9.0461   2.0707  33.029  4.1817 33.029  4.1817 0.000000       0.000000 
1 1 1 16 16 11 o 50.092  2.9735 19.993   2.3162  19.993   2.3162  19.993   2.3162  50.092  2.9735 50.092  2.9735 0.000000       0.000000 
1 1 1 16 16 12 o 59.417  3.1727 28.099   2.9360  28.099   2.9360  28.099   2.9360  59.417  3.1727 59.417  3.1727 0.000000       0.000000 
1 1 1 16 16 13 f 13.894  7.3894 2.2771   2.1765  2.2771   2.1765  2.2771   2.1765  13.894  7.3894 13.894  7.3894 0.000000       0.000000 
1 1 1 16 16 14 o 10.294  6.4818 0.4741   2.2056  0.4741   2.2056  0.4741   2.2056  10.294  6.4818 10.294  6.4818 0.000000       0.000000 
1 1 1 16 16 15 o 95.723  2.6789 72.367   4.0129  72.367   4.0129  72.367   4.0129  95.723  2.6789 95.723  2.6789 0.000000       0.000000 
1 1 1 16 16 16 o 61.079  2.7182 29.576   2.5910  29.576   2.5910  29.576   2.5910  61.079  2.7182 61.079  2.7182 0.000000       0.000000 
1 1 1 16 16 17 o 6.5213  4.5974 -2.1311  1.8662  -2.1311  1.8662  -2.1311  1.8662  6.5213  4.5974 6.5213  4.5974 0.000000       0.000000 
1 1 1 16 16 18 o 9.7960  6.0445 0.6316   1.8199  0.6316   1.8199  0.6316   1.8199  9.7960  6.0445 9.7960  6.0445 0.000000       0.000000 
1 1 1 16 16 19 o 27.904  5.0933 6.7835   2.0084  6.7835   2.0084  6.7835   2.0084  27.904  5.0933 27.904  5.0933 0.000000       0.000000 
1 1 1 16 16 20 f 43.042  3.4470 14.938   2.2916  14.938   2.2916  14.938   2.2916  43.042  3.4470 43.042  3.4470 0.000000       0.000000 
1 1 1 16 16 21 o 24.376  6.1410 5.5680   2.0295  5.5680   2.0295  5.5680   2.0295  24.376  6.1410 24.376  6.1410 0.000000       0.000000 
1 1 1 16 16 22 o 65.064  2.6540 33.553   2.6968  33.553   2.6968  33.553   2.6968  65.064  2.6540 65.064  2.6540 0.000000       0.000000 
1 1 1 16 16 23 o 86.148  2.3942 58.611   3.2278  58.611   3.2278  58.611   3.2278  86.148  2.3942 86.148  2.3942 0.000000       0.000000 
1 1 1 16 16 24 o 107.543 2.3524 91.259   3.9617  91.259   3.9617  91.259   3.9617  107.543 2.3524 107.543 2.3524 0.000000       0.000000 
1 1 1 16 16 25 o 19.017  6.9134 3.8829   1.8955  3.8829   1.8955  3.8829   1.8955  19.017  6.9134 19.017  6.9134 0.000000       0.000000 
1 1 1 16 16 26 o 30.975  4.6145 8.1485   2.0944  8.1485   2.0944  8.1485   2.0944  30.975  4.6145 30.975  4.6145 0.000000       0.000000 
1 1 1 16 16 27 o 17.189  7.2986 3.4201   1.9956  3.4201   1.9956  3.4201   1.9956  17.189  7.2986 17.189  7.2986 0.000000       0.000000 
1 1 1 16 16 28 o 29.525  5.7090 7.7487   2.3580  7.7487   2.3580  7.7487   2.3580  29.525  5.7090 29.525  5.7090 0.000000       0.000000 
1 1 1 16 16 29 o 43.332  3.3968 15.180   2.2748  15.180   2.2748  15.180   2.2748  43.332  3.3968 43.332  3.3968 0.000000       0.000000 
1 1 1 16 16 30 o 30.379  4.6867 7.8999   2.0739  7.8999   2.0739  7.8999   2.0739  30.379  4.6867 30.379  4.6867 0.000000       0.000000 
1 1 1 16 16 31 o 56.885  2.8996 25.832   2.5704  25.832   2.5704  25.832   2.5704  56.885  2.8996 56.885  2.8996 0.000000       0.000000 
1 1 1 16 16 32 o 100.390 2.4265 79.761   3.8137  79.761   3.8137  79.761   3.8137  100.390 2.4265 100.390 2.4265 0.000000       0.000000 
1 1 1 16 16 33 o 37.606  3.7194 11.615   2.1435  11.615   2.1435  11.615   2.1435  37.606  3.7194 37.606  3.7194 0.000000       0.000000 
1 1 1 16 16 34 o 27.826  5.2115 6.8699   2.0398  6.8699   2.0398  6.8699   2.0398  27.826  5.2115 27.826  5.2115 0.000000       0.000000 
1 1 1 16 16 35 o 51.713  3.0517 21.485   2.4542  21.485   2.4542  21.485   2.4542  51.713  3.0517 51.713  3.0517 0.000000       0.000000 
1 1 1 16 16 36 o 55.942  2.9568 25.092   2.5765  25.092   2.5765  25.092   2.5765  55.942  2.9568 55.942  2.9568 0.000000       0.000000 
1 1 1 16 16 37 o 24.703  6.1887 5.8390   2.0731  5.8390   2.0731  5.8390   2.0731  24.703  6.1887 24.703  6.1887 0.000000       0.000000 
1 1 1 16 16 38 o 29.763  4.7405 7.7037   2.0437  7.7037   2.0437  7.7037   2.0437  29.763  4.7405 29.763  4.7405 0.000000       0.000000 
1 1 1 16 16 39 o 36.946  3.8476 11.346   2.1731  11.346   2.1731  11.346   2.1731  36.946  3.8476 36.946  3.8476 0.000000       0.000000 
1 1 1 16 16 40 o 31.778  4.4856 8.6758   2.1064  8.6758   2.1064  8.6758   2.1064  31.778  4.4856 31.778  4.4856 0.000000       0.000000 
1 1 1 16 16 41 o 51.339  2.8772 21.230   2.2990  21.230   2.2990  21.230   2.2990  51.339  2.8772 51.339  2.8772 0.000000       0.000000 
1 1 1 16 16 42 o 14.245  7.5944 2.6735   2.3042  2.6735   2.3042  2.6735   2.3042  14.245  7.5944 14.245  7.5944 0.000000       0.000000 
1 1 1 16 16 43 o 8.1109  5.4334 -0.4523  1.9255  -0.4523  1.9255  -0.4523  1.9255  8.1109  5.4334 8.1109  5.4334 0.000000       0.000000 
1 1 1 16 16 44 o 46.187  3.4070 17.475   2.4360  17.475   2.4360  17.475   2.4360  46.187  3.4070 46.187  3.4070 0.000000       0.000000 
1 1 1 16 16 45 o 4.7880  3.5221 -5.0550  1.8406  -5.0550  1.8406  -5.0550  1.8406  4.7880  3.5221 4.7880  3.5221 0.000000       0.000000 
1 1 1 16 16 46 o 8.6618  5.6233 0.1556   1.8232  0.1556   1.8232  0.1556   1.8232  8.6618  5.6233 8.6618  5.6233 0.000000       0.000000 
1 1 1 16 16 47 o 15.180  7.4037 3.0468   2.0766  3.0468   2.0766  3.0468   2.0766  15.180  7.4037 15.180  7.4037 0.000000       0.000000 
1 1 1 16 16 48 f 20.059  7.5876 4.7352   2.2374  4.7352   2.2374  4.7352   2.2374  20.059  7.5876 20.059  7.5876 0.000000       0.000000 
1 1 1 16 16 49 o 8.6253  5.8053 -0.4949  2.2466  -0.4949  2.2466  -0.4949  2.2466  8.6253  5.8053 8.6253  5.8053 0.000000       0.000000 
1 1 1 16 16 50 o 21.434  7.8253 5.4042   2.4232  5.4042   2.4232  5.4042   2.4232  21.434  7.8253 21.434  7.8253 0.000000       0.000000 
1 1 1 16 16 51 o 15.889  7.4650 3.3739   2.0889  3.3739   2.0889  3.3739   2.0889  15.889  7.4650 15.889  7.4650 0.000000       0.000000 
1 1 1 16 16 52 o 5.9870  4.3077 -3.0266  1.9851  -3.0266  1.9851  -3.0266  1.9851  5.9870  4.3077 5.9870  4.3077 0.000000       0.000000 
1 1 1 16 16 53 o 12.896  6.9758 2.3264   1.9708  2.3264   1.9708  2.3264   1.9708  12.896  6.9758 12.896  6.9758 0.000000       0.000000 
1 1 1 16 16 54 o 9.7862  6.1218 0.9137   1.9323  0.9137   1.9323  0.9137   1.9323  9.7862  6.1218 9.7862  6.1218 0.000000       0.000000 
1 1 1 16 16 55 o 7.2734  5.0387 -1.1027  1.9805  -1.1027  1.9805  -1.1027  1.9805  7.2734  5.0387 7.2734  5.0387 0.000000       0.000000 
1 1 1 17 0  0  o 132.891 2.6638 138.612  5.5443  138.612  5.5443  138.612  5.5443  132.891 2.6638 132.891 2.6638 0.000000       0.000000 
1 1 1 17 0  1  o 384.966 3.4609 1162.47  20.883  1162.47  20.883  1162.47  20.883  384.966 3.4609 384.966 3.4609 0.000000       0.000000 
1 1 1 17 0  2  o 7.2878  4.8308 -0.3928  1.4552  -0.3928  1.4552  -0.3928  1.4552  7.2878  4.8308 7.2878  4.8308 0.000000       0.000000 
1 1 1 17 0  3  o 93.691  1.8437 68.894   2.7055  68.894   2.7055  68.894   2.7055  93.691  1.8437 93.691  1.8437 0.000000       0.000000 
1 1 1 17 0  4  f 513.929 4.4657 2072.43  35.972  2072.43  35.972  2072.43  35.972  513.929 4.4657 513.929 4.4657 0.000000       0.000000 
1 1 1 17 0  5  o 120.715 1.8307 114.316  3.4626  114.316  3.4626  114.316  3.4626  120.715 1.8307 120.715 1.8307 0.000000       0.000000 
1 1 1 17 0  6  o 194.645 2.1424 297.133  6.5354  297.133  6.5354  297.133  6.5354  194.645 2.1424 194.645 2.1424 0.000000       0.000000 
1 1 1 17 0  7  f 402.710 3.5974 1272.18  22.707  1272.18  22.707  1272.18  22.707  402.710 3.5974 402.710 3.5974 0.000000       0.000000 
1 1 1 17 0  8  o 15.485  6.3300 2.6285   1.5135  2.6285   1.5135  2.6285   1.5135  15.485  6.3300 15.485  6.3300 0.000000       0.000000 
1 1 1 17 0  9  o 177.947 2.0601 248.347  5.7450  248.347  5.7450  248.347  5.7450  177.947 2.0601 177.947 2.0601 0.000000       0.000000 
1 1 1 17 0  10 o 131.430 2.2843 135.551  4.7033  135.551  4.7033  135.551  4.7033  131.430 2.2843 131.430 2.2843 0.000000       0.000000 
1 1 1 17 0  11 o 192.008 2.3151 289.171  6.9664  289.171  6.9664  289.171  6.9664  192.008 2.3151 192.008 2.3151 0.000000       0.000000 
1 1 1 17 0  12 f 208.697 2.2188 341.587  7.2575  341.587  7.2575  341.587  7.2575  208.697 2.2188 208.697 2.2188 0.000000       0.000000 
1 1 1 17 0  13 o 18.412  6.1510 3.4197   1.5830  3.4197   1.5830  3.4197   1.5830  18.412  6.1510 18.412  6.1510 0.000000       0.000000 
1 1 1 17 0  14 o 78.131  1.9125 47.943   2.3394  47.943   2.3394  47.943   2.3394  78.131  1.9125 78.131  1.9125 0.000000       0.000000 
1 1 1 17 0  15 o 423.931 4.1203 1410.22  27.377  1410.22  27.377  1410.22  27.377  423.931 4.1203 423.931 4.1203 0.000000       0.000000 
1 1 1 17 0  16 o 161.347 2.1515 204.209  5.4397  204.209  5.4397  204.209  5.4397  161.347 2.1515 161.347 2.1515 0.000000       0.000000 
1 1 1 17 0  17 o 140.948 2.0700 155.852  4.5717  155.852  4.5717  155.852  4.5717  140.948 2.0700 140.948 2.0700 0.000000       0.000000 
1 1 1 17 0  18 o 82.489  2.0648 53.446   2.6663  53.446   2.6663  53.446   2.6663  82.489  2.0648 82.489  2.0648 0.000000       0.000000 
1 1 1 17 0  19 o 23.955  5.2940 5.1088   1.7387  5.1088   1.7387  5.1088   1.7387  23.955  5.2940 23.955  5.2940 0.000000       0.000000 
1 1 1 17 0  20 o 166.818 2.4744 218.339  6.4676  218.339  6.4676  218.339  6.4676  166.818 2.4744 166.818 2.4744 0.000000       0.000000 
1 1 1 17 0  21 o 168.855 2.8984 223.785  7.6673  223.785  7.6673  223.785  7.6673  168.855 2.8984 168.855 2.8984 0.000000       0.000000 
1 1 1 17 0  22 o 12.750  6.9141 1.7998   1.9407  1.7998   1.9407  1.7998   1.9407  12.750  6.9141 12.750  6.9141 0.000000       0.000000 
1 1 1 17 0  23 o 95.043  2.1055 70.928   3.1336  70.928   3.1336  70.928   3.1336  95.043  2.1055 95.043  2.1055 0.000000       0.000000 
1 1 1 17 0  24 o 39.827  3.2449 12.686   1.9950  12.686   1.9950  12.686   1.9950  39.827  3.2449 39.827  3.2449 0.000000       0.000000 
1 1 1 17 0  25 o 63.827  2.4066 32.079   2.4002  32.079   2.4002  32.079   2.4002  63.827  2.4066 63.827  2.4066 0.000000       0.000000 
1 1 1 17 0  26 o 80.973  1.9827 51.498   2.5135  51.498   2.5135  51.498   2.5135  80.973  1.9827 80.973  1.9827 0.000000       0.000000 
1 1 1 17 0  27 o 53.767  2.3370 22.796   1.9614  22.796   1.9614  22.796   1.9614  53.767  2.3370 53.767  2.3370 0.000000       0.000000 
1 1 1 17 0  28 o 257.653 2.5465 520.734  10.283  520.734  10.283  520.734  10.283  257.653 2.5465 257.653 2.5465 0.000000       0.000000 
1 1 1 17 0  29 o 97.625  2.0407 74.824   3.1201  74.824   3.1201  74.824   3.1201  97.625  2.0407 97.625  2.0407 0.000000       0.000000 
1 1 1 17 0  30 o 175.367 2.0681 241.236  5.6838  241.236  5.6838  241.236  5.6838  175.367 2.0681 175.367 2.0681 0.000000       0.000000 
1 1 1 17 0  31 o 259.112 2.5615 526.689  10.403  526.689  10.403  526.689  10.403  259.112 2.5615 259.112 2.5615 0.000000       0.000000 
1 1 1 17 0  32 o 272.441 2.8986 582.411  12.377  582.411  12.377  582.411  12.377  272.441 2.8986 272.441 2.8986 0.000000       0.000000 
1 1 1 17 0  33 o 116.912 1.8923 107.258  3.4661  107.258  3.4661  107.258  3.4661  116.912 1.8923 116.912 1.8923 0.000000       0.000000 
1 1 1 17 0  34 o 230.994 2.3763 418.605  8.6031  418.605  8.6031  418.605  8.6031  230.994 2.3763 230.994 2.3763 0.000000       0.000000 
1 1 1 17 0  35 o 214.750 2.2816 361.810  7.6792  361.810  7.6792  361.810  7.6792  214.750 2.2816 214.750 2.2816 0.000000       0.000000 
1 1 1 17 0  36 o 32.920  3.2637 8.7525   1.6463  8.7525   1.6463  8.7525   1.6463  32.920  3.2637 32.920  3.2637 0.000000       0.000000 
1 1 1 17 0  37 o 188.433 2.1260 278.584  6.2783  278.584  6.2783  278.584  6.2783  188.433 2.1260 188.433 2.1260 0.000000       0.000000 
1 1 1 17 0  38 o 137.700 1.9026 148.787  4.1054  148.787  4.1054  148.787  4.1054  137.700 1.9026 137.700 1.9026 0.000000       0.000000 
1 1 1 17 0  39 o 129.079 1.8584 130.751  3.7588  130.751  3.7588  130.751  3.7588  129.079 1.8584 129.079 1.8584 0.000000       0.000000 
1 1 1 17 0  40 o 19.913  5.4179 3.7341   1.4620  3.7341   1.4620  3.7341   1.4620  19.913  5.4179 19.913  5.4179 0.000000       0.000000 
1 1 1 17 0  41 o 94.074  1.8310 69.495   2.6980  69.495   2.6980  69.495   2.6980  94.074  1.8310 94.074  1.8310 0.000000       0.000000 
1 1 1 17 0  42 o 13.000  6.1940 1.9586   1.4433  1.9586   1.4433  1.9586   1.4433  13.000  6.1940 13.000  6.1940 0.000000       0.000000 
1 1 1 17 0  43 o 126.147 1.7361 124.898  3.4318  124.898  3.4318  124.898  3.4318  126.147 1.7361 126.147 1.7361 0.000000       0.000000 
1 1 1 17 0  44 o 126.870 1.7389 126.345  3.4570  126.345  3.4570  126.345  3.4570  126.870 1.7389 126.870 1.7389 0.000000       0.000000 
1 1 1 17 0  45 o 19.441  5.5584 3.6243   1.4684  3.6243   1.4684  3.6243   1.4684  19.441  5.5584 19.441  5.5584 0.000000       0.000000 
1 1 1 17 0  46 o 78.286  1.8792 48.179   2.3033  48.179   2.3033  48.179   2.3033  78.286  1.8792 78.286  1.8792 0.000000       0.000000 
1 1 1 17 0  47 o 93.380  1.9557 68.535   2.8600  68.535   2.8600  68.535   2.8600  93.380  1.9557 93.380  1.9557 0.000000       0.000000 
1 1 1 17 0  48 o 39.094  2.7689 12.195   1.6774  12.195   1.6774  12.195   1.6774  39.094  2.7689 39.094  2.7689 0.000000       0.000000 
1 1 1 17 0  49 o 16.702  5.8993 2.9014   1.4038  2.9014   1.4038  2.9014   1.4038  16.702  5.8993 16.702  5.8993 0.000000       0.000000 
1 1 1 17 0  50 o 28.141  4.1757 6.6485   1.7228  6.6485   1.7228  6.6485   1.7228  28.141  4.1757 28.141  4.1757 0.000000       0.000000 
1 1 1 17 0  51 o 94.099  1.9265 69.623   2.8392  69.623   2.8392  69.623   2.8392  94.099  1.9265 94.099  1.9265 0.000000       0.000000 
1 1 1 17 0  52 o 114.707 1.8211 103.397  3.2729  103.397  3.2729  103.397  3.2729  114.707 1.8211 114.707 1.8211 0.000000       0.000000 
1 1 1 17 0  53 o 14.470  6.3642 2.3994   1.5117  2.3994   1.5117  2.3994   1.5117  14.470  6.3642 14.470  6.3642 0.000000       0.000000 
1 1 1 17 0  54 o 48.385  2.5113 18.568   1.8931  18.568   1.8931  18.568   1.8931  48.385  2.5113 48.385  2.5113 0.000000       0.000000 
1 1 1 17 0  55 f 8.3364  5.2864 0.2172   1.4961  0.2172   1.4961  0.2172   1.4961  8.3364  5.2864 8.3364  5.2864 0.000000       0.000000 
1 1 1 17 0  56 o 47.541  2.9360 18.022   2.1691  18.022   2.1691  18.022   2.1691  47.541  2.9360 47.541  2.9360 0.000000       0.000000 
1 1 1 17 0  57 o 94.250  1.9611 69.920   2.8947  69.920   2.8947  69.920   2.8947  94.250  1.9611 94.250  1.9611 0.000000       0.000000 
1 1 1 17 0  58 o 6.8205  4.6077 -0.6452  1.4404  -0.6452  1.4404  -0.6452  1.4404  6.8205  4.6077 6.8205  4.6077 0.000000       0.000000 
1 1 1 17 0  59 o 52.160  2.3568 21.561   1.9182  21.561   1.9182  21.561   1.9182  52.160  2.3568 52.160  2.3568 0.000000       0.000000 
1 1 1 17 0  60 o 106.495 1.7780 89.245   2.9665  89.245   2.9665  89.245   2.9665  106.495 1.7780 106.495 1.7780 0.000000       0.000000 
1 1 1 17 0  61 o 48.321  2.2394 18.517   1.6881  18.517   1.6881  18.517   1.6881  48.321  2.2394 48.321  2.2394 0.000000       0.000000 
1 1 1 17 0  62 o 36.445  2.6532 10.660   1.4974  10.660   1.4974  10.660   1.4974  36.445  2.6532 36.445  2.6532 0.000000       0.000000 
1 1 1 17 0  63 o 17.705  5.5649 3.1636   1.3564  3.1636   1.3564  3.1636   1.3564  17.705  5.5649 17.705  5.5649 0.000000       0.000000 
1 1 1 17 0  64 o 25.349  3.6388 5.4244   1.3595  5.4244   1.3595  5.4244   1.3595  25.349  3.6388 25.349  3.6388 0.000000       0.000000 
1 1 1 17 0  65 o 35.628  2.6179 10.217   1.4440  10.217   1.4440  10.217   1.4440  35.628  2.6179 35.628  2.6179 0.000000       0.000000 
1 1 1 17 0  66 o 16.372  5.5883 2.8183   1.2872  2.8183   1.2872  2.8183   1.2872  16.372  5.5883 16.372  5.5883 0.000000       0.000000 
1 1 1 17 0  67 o 35.536  3.1020 10.305   1.6978  10.305   1.6978  10.305   1.6978  35.536  3.1020 35.536  3.1020 0.000000       0.000000 
1 1 1 17 0  68 o 11.224  5.9841 1.5555   1.4307  1.5555   1.4307  1.5555   1.4307  11.224  5.9841 11.224  5.9841 0.000000       0.000000 
1 1 1 17 0  69 o 31.524  2.8033 8.1118   1.3602  8.1118   1.3602  8.1118   1.3602  31.524  2.8033 31.524  2.8033 0.000000       0.000000 
1 1 1 17 0  70 o 16.688  5.3754 2.8916   1.2416  2.8916   1.2416  2.8916   1.2416  16.688  5.3754 16.688  5.3754 0.000000       0.000000 
1 1 1 17 0  71 o 10.186  5.7827 1.2302   1.4320  1.2302   1.4320  1.2302   1.4320  10.186  5.7827 10.186  5.7827 0.000000       0.000000 
1 1 1 17 0  72 o 11.220  7.0488 1.0756   2.5916  1.0756   2.5916  1.0756   2.5916  11.220  7.0488 11.220  7.0488 0.000000       0.000000 
1 1 1 17 0  73 o 33.434  6.2845 10.471   2.9536  10.471   2.9536  10.471   2.9536  33.434  6.2845 33.434  6.2845 0.000000       0.000000 
1 1 1 17 0  74 o 20.892  8.2408 5.4012   2.5940  5.4012   2.5940  5.4012   2.5940  20.892  8.2408 20.892  8.2408 0.000000       0.000000 
1 1 1 17 0  75 o 57.494  3.1656 27.046   2.8334  27.046   2.8334  27.046   2.8334  57.494  3.1656 57.494  3.1656 0.000000       0.000000 
1 1 1 17 0  76 o 13.124  7.2410 2.4380   2.1679  2.4380   2.1679  2.4380   2.1679  13.124  7.2410 13.124  7.2410 0.000000       0.000000 
1 1 1 17 0  77 o 7.4013  5.1082 -1.0158  1.9882  -1.0158  1.9882  -1.0158  1.9882  7.4013  5.1082 7.4013  5.1082 0.000000       0.000000 
1 1 1 17 1  0  o 65.333  2.1103 33.568   2.1563  33.568   2.1563  33.568   2.1563  65.333  2.1103 65.333  2.1103 0.000000       0.000000 
1 1 1 17 1  1  o 347.370 2.2516 946.288  12.261  927.697  17.017  966.360  17.682  343.859 3.1569 350.945 3.2139 -7.086121      4.505040 
1 1 1 17 1  2  o 214.946 1.6062 362.236  5.4125  369.738  7.7845  355.216  7.5306  217.132 2.2869 212.827 2.2571 4.305313       3.213179 
1 1 1 17 1  3  o 71.979  1.4046 40.618   1.5849  40.777   2.2384  40.458   2.2444  72.113  1.9800 71.830  1.9931 0.2832565      2.809445 
1 1 1 17 1  4  o 137.336 1.3453 147.867  2.8963  148.667  4.1240  147.088  4.0685  137.695 1.9105 136.962 1.8949 0.7326965      2.690855 
1 1 1 17 1  5  o 112.976 1.3181 100.062  2.3344  96.976   3.2686  103.276  3.3351  111.210 1.8748 114.766 1.8537 -3.555801      2.636502 
1 1 1 17 1  6  o 458.248 2.8540 1647.32  20.503  1619.69  28.527  1676.84  29.487  454.210 4.0063 462.143 4.0701 -7.933319      5.711071 
1 1 1 17 1  7  o 314.064 2.0820 773.481  10.251  755.825  14.193  792.735  14.821  310.394 2.9167 317.877 2.9742 -7.483276      4.165698 
1 1 1 17 1  8  o 72.133  1.4832 40.793   1.6772  38.785   2.2784  43.169   2.4780  70.328  2.0666 74.195  2.1305 -3.867683      2.968110 
1 1 1 17 1  9  f 337.883 2.2031 895.306  11.670  880.115  16.235  911.546  16.786  334.924 3.0921 340.847 3.1414 -5.922760      4.407908 
1 1 1 17 1  10 f 265.919 2.0206 554.506  8.4232  547.039  11.788  562.297  12.041  264.069 2.8475 267.724 2.8689 -3.655548      4.042099 
1 1 1 17 1  11 o 272.147 1.8703 580.749  7.9792  588.097  11.410  573.715  11.163  273.813 2.6581 270.446 2.6329 3.366943       3.741350 
1 1 1 17 1  12 o 267.251 1.8466 560.037  7.7364  580.712  11.289  541.727  10.623  272.088 2.6466 262.801 2.5786 9.286926       3.695058 
1 1 1 17 1  13 o 210.246 1.7320 346.591  5.7087  345.624  8.0478  347.571  8.0991  209.920 2.4455 210.510 2.4542 -0.5899353     3.464623 
1 1 1 17 1  14 o 219.049 1.6251 376.209  5.5804  391.277  8.1388  362.841  7.6661  223.360 2.3244 215.093 2.2735 8.266861       3.251382 
1 1 1 17 1  15 o 172.629 1.5012 233.646  4.0626  236.139  6.0588  231.609  5.4761  173.522 2.2273 171.858 2.0326 1.664810       3.015339 
1 1 1 17 1  16 o 77.256  1.3936 46.793   1.6878  45.270   2.3641  48.376   2.4103  75.980  1.9848 78.544  1.9575 -2.563736      2.787699 
1 1 1 17 1  17 o 197.618 1.5360 306.190  4.7584  310.520  6.7945  302.021  6.6662  198.984 2.1781 196.242 2.1669 2.741577       3.072393 
1 1 1 17 1  18 o 299.993 2.0064 705.742  9.4358  700.828  13.251  710.795  13.439  298.880 2.8282 300.996 2.8481 -2.115875      4.013761 
1 1 1 17 1  19 o 261.203 1.8170 534.992  7.4403  540.211  10.615  529.951  10.432  262.423 2.5803 259.921 2.5601 2.502502       3.634846 
1 1 1 17 1  20 o 204.549 1.6424 328.063  5.2666  327.821  7.8170  328.264  7.1269  204.434 2.4391 204.585 2.2222 -0.1503754     3.299584 
1 1 1 17 1  21 o 118.225 1.5263 109.589  2.8288  104.137  4.1255  114.427  3.8862  115.227 2.2839 120.793 2.0523 -5.566170      3.070480 
1 1 1 17 1  22 o 56.652  1.8766 25.168   1.6666  24.746   2.2230  25.709   2.5184  56.165  2.5247 57.243  2.8064 -1.077599      3.774976 
1 1 1 17 1  23 o 156.086 1.5335 191.021  3.7524  192.456  5.3151  189.596  5.2982  156.647 2.1644 155.479 2.1737 1.168350       3.067511 
1 1 1 17 1  24 o 212.370 1.7532 353.659  5.8368  357.529  8.3201  349.910  8.1903  213.484 2.4861 211.199 2.4737 2.285858       3.507116 
1 1 1 17 1  25 o 253.446 2.0675 503.787  8.2147  504.318  10.977  503.111  12.385  253.521 2.7619 253.181 3.1204 0.3400269      4.167144 
1 1 1 17 1  26 o 133.664 1.7005 140.098  3.5632  140.510  5.0159  139.678  5.0627  133.834 2.3907 133.436 2.4202 0.3980103      3.401920 
1 1 1 17 1  27 o 63.620  1.9729 31.744   1.9677  33.690   2.8478  29.966   2.7218  65.523  2.7724 61.794  2.8097 3.729095       3.947267 
1 1 1 17 1  28 o 236.626 1.9878 439.151  7.3739  435.926  9.8235  443.313  11.160  235.699 2.6586 237.653 2.9956 -1.953659      4.005203 
1 1 1 17 1  29 o 217.755 1.8893 371.885  6.4495  374.530  9.6665  369.764  8.6584  218.450 2.8227 217.082 2.5443 1.368210       3.800097 
1 1 1 17 1  30 o 101.748 1.5100 81.180   2.4085  83.517   3.4215  78.883   3.3911  103.184 2.1152 100.279 2.1572 2.905006       3.021143 
1 1 1 17 1  31 o 81.218  1.4863 51.725   1.8924  54.780   2.8526  49.324   2.5292  83.563  2.1776 79.297  2.0346 4.266083       2.980134 
1 1 1 17 1  32 o 237.557 1.8906 442.647  7.0408  446.369  10.094  439.120  9.8257  238.469 2.7001 236.530 2.6499 1.938248       3.783156 
1 1 1 17 1  33 o 85.389  1.3731 57.174   1.8381  56.025   2.5679  58.380   2.6322  84.511  1.9382 86.268  1.9463 -1.757622      2.746783 
1 1 1 17 1  34 o 189.584 1.5130 281.870  4.4968  280.926  6.3336  282.829  6.3855  189.219 2.1352 189.858 2.1454 -0.6389771     3.026838 
1 1 1 17 1  35 o 10.548  4.2920 0.3310   1.1143  1.9524   1.5653  -1.3348  1.5866  16.124  5.3274 9.6253  4.4535 6.498527       6.943698 
1 1 1 17 1  36 o 58.656  1.5503 26.985   1.4255  26.649   1.9981  27.334   2.0344  58.271  2.1873 59.014  2.1990 -0.7434692     3.101618 
1 1 1 17 1  37 o 72.144  1.4108 40.820   1.5956  41.680   2.2629  39.970   2.2502  72.879  1.9807 71.367  2.0113 1.512329       2.822837 
1 1 1 17 1  38 o 129.613 1.3366 131.756  2.7159  132.372  3.8470  131.143  3.8347  129.878 1.8895 129.273 1.8922 0.6043396      2.674042 
1 1 1 17 1  39 o 99.583  1.2728 77.777   1.9871  78.124   2.9004  77.470   2.7278  99.772  1.8544 99.361  1.7512 0.4115753      2.550593 
1 1 1 17 1  40 o 122.117 1.3737 116.978  2.6299  115.601  3.8399  118.195  3.6092  121.343 2.0186 122.711 1.8762 -1.367859      2.755873 
1 1 1 17 1  41 o 108.288 1.3565 91.989   2.3028  92.911   3.3842  91.194   3.1425  108.779 1.9845 107.780 1.8599 0.9985657      2.719834 
1 1 1 17 1  42 o 31.859  2.2886 8.0172   1.1354  8.9148   1.6794  7.2614   1.5410  33.485  3.2397 30.178  3.3117 3.306913       4.632860 
1 1 1 17 1  43 o 107.698 1.4556 91.018   2.4576  95.142   3.6816  87.704   3.3006  110.039 2.1342 105.667 1.9925 4.372490       2.919746 
1 1 1 17 1  44 o 88.739  1.4476 61.800   2.0139  63.367   2.7423  59.965   2.9671  89.813  1.9477 87.346  2.1669 2.467064       2.913549 
1 1 1 17 1  45 o 27.770  2.5435 6.1194   1.0950  5.1695   1.5089  7.1760   1.5914  25.267  3.9377 29.952  3.4525 -4.684240      5.236906 
1 1 1 17 1  46 o 60.294  1.5481 28.542   1.4633  29.205   2.0622  27.869   2.0768  60.944  2.1585 59.529  2.2254 1.415398       3.100246 
1 1 1 17 1  47 f 42.105  2.1676 13.980   1.4259  13.989   2.0723  13.971   1.9650  41.976  3.1725 41.976  3.0061 0.8163452E-03  4.370543 
1 1 1 17 1  48 o 60.643  1.4667 28.874   1.3943  29.150   1.9777  28.602   1.9661  60.881  2.0722 60.306  2.0796 0.5754013      2.935780 
1 1 1 17 1  49 o 75.083  1.3776 44.257   1.6215  46.301   2.5053  42.784   2.1271  76.720  2.0830 73.778  1.8391 2.942162       2.778720 
1 1 1 17 1  50 o 44.966  1.7303 15.890   1.2197  16.524   1.8671  15.418   1.6109  45.703  2.6168 44.186  2.3339 1.517788       3.506402 
1 1 1 17 1  51 o 14.155  4.0509 1.6326   0.9445  1.7933   1.4147  1.5034   1.2686  15.290  5.0651 14.177  4.7979 1.113530       6.976775 
1 1 1 17 1  52 o 73.882  1.3456 42.861   1.5585  42.511   2.3262  43.146   2.0993  73.499  2.0189 74.074  1.8078 -0.5757446     2.710038 
1 1 1 17 1  53 o 53.508  1.4590 22.491   1.2238  23.008   1.7307  21.974   1.7309  54.064  2.0420 52.829  2.0900 1.234451       2.921927 
1 1 1 17 1  54 o 42.323  1.6512 14.082   1.0955  14.498   1.5511  13.667   1.5475  42.821  2.3193 41.563  2.3850 1.258228       3.326786 
1 1 1 17 1  55 o 109.562 1.3587 94.288   2.3336  93.193   3.7067  95.007   3.0035  108.745 2.1743 109.904 1.7432 -1.159096      2.786873 
1 1 1 17 1  56 o 43.256  2.0654 14.743   1.4006  14.090   1.9533  15.433   2.0092  42.069  2.9812 44.049  2.9263 -1.980022      4.177371 
1 1 1 17 1  57 o 96.347  1.4368 72.958   2.1701  72.690   2.9822  73.260   3.1639  96.054  1.9805 96.401  2.0935 -0.3470993     2.881890 
1 1 1 17 1  58 o 76.352  1.5244 45.844   1.8247  45.733   2.4377  45.985   2.7518  76.161  2.0417 76.311  2.3002 -0.1501694     3.075627 
1 1 1 17 1  59 o 95.274  1.4084 71.364   2.1035  72.778   2.9757  69.953   2.9739  96.073  1.9758 94.179  2.0143 1.894058       2.821540 
1 1 1 17 1  60 o 65.387  1.5468 33.645   1.5856  32.826   2.1962  34.535   2.2915  64.463  2.1733 66.111  2.2110 -1.647575      3.100289 
1 1 1 17 1  61 o 50.607  1.7294 20.182   1.3720  20.539   1.9107  19.802   1.9714  50.928  2.3932 49.915  2.5277 1.012711       3.480876 
1 1 1 17 1  62 o 56.965  1.4490 25.541   1.2940  24.816   1.8014  26.313   1.8600  56.036  2.0507 57.701  2.0563 -1.664291      2.904067 
1 1 1 17 1  63 o 81.144  1.3297 51.806   1.6915  53.433   2.3239  49.973   2.4668  82.279  1.8016 79.514  1.9789 2.765244       2.676203 
1 1 1 17 1  64 o 17.638  3.6183 2.5982   0.9669  2.9468   1.3170  2.1907   1.4241  18.589  4.5549 16.209  5.0558 2.379810       6.805010 
1 1 1 17 1  65 o 33.032  2.0412 8.6759   1.0518  8.5694   1.4240  8.8038   1.5603  32.621  2.8120 32.991  3.0514 -0.3695793     4.149500 
1 1 1 17 1  66 o 29.894  2.1857 7.1352   1.0172  9.0368   1.3872  4.9236   1.4960  33.523  2.6616 24.214  4.0865 9.308800       4.876845 
1 1 1 17 1  67 o 51.125  1.6221 20.652   1.3001  19.643   1.8550  21.625   1.8225  49.632  2.3842 52.131  2.2301 -2.499451      3.264576 
1 1 1 17 1  68 o 39.914  1.8342 12.625   1.1477  10.854   1.6065  14.471   1.6402  36.640  2.8185 42.477  2.4738 -5.837231      3.750197 
1 1 1 17 1  69 o 10.508  3.9509 0.7143   0.8836  0.2870   1.1938  1.2320   1.3140  10.427  4.3613 13.101  4.8391 -2.673336      6.514430 
1 1 1 17 1  70 o 15.058  4.6268 1.9391   1.1977  2.2915   1.4604  1.2152   2.0933  16.277  5.1270 14.649  5.9104 1.628642       7.824254 
1 1 1 17 1  71 o 39.664  1.8400 12.489   1.1441  11.530   1.6760  13.326   1.5656  37.679  2.8586 40.699  2.4655 -3.019093      3.775016 
1 1 1 17 1  72 o 31.557  3.0420 8.1550   1.4862  9.9737   2.9165  7.5170   1.7274  33.227  5.8106 29.952  3.7617 3.274567       6.921954 
1 1 1 17 1  73 f 15.370  4.7841 2.0507   1.2759  0.5545   2.6014  2.5247   1.4640  14.507  6.2636 16.869  5.1019 -2.362079      8.078440 
1 1 1 17 1  74 o 15.582  5.4635 2.0555   1.6497  3.3063   2.6243  1.2382   2.1212  19.002  6.8664 14.535  5.9189 4.466231       9.065354 
1 1 1 17 1  75 o 16.662  5.3298 2.5010   1.5736  1.0265   2.1788  4.1087   2.2751  14.188  5.9095 20.623  6.3835 -6.435011      8.698941 
1 1 1 17 1  76 o 35.733  3.0780 10.574   1.7074  11.794   2.4040  9.3320   2.4253  36.913  4.2309 32.246  4.9562 4.666069       6.516463 
1 1 1 17 2  0  o 154.113 1.9639 186.293  4.7431  186.293  4.7431  186.293  4.7431  154.113 1.9639 154.113 1.9639 0.000000       0.000000 
1 1 1 17 2  1  o 162.837 1.4154 207.885  3.6130  206.497  5.0694  209.318  5.1508  162.276 1.9927 163.380 2.0110 -1.104065      2.831126 
1 1 1 17 2  2  o 75.493  1.4129 44.682   1.6722  45.840   2.3790  43.551   2.3509  76.458  1.9848 74.523  2.0122 1.934418       2.826418 
1 1 1 17 2  3  o 90.505  1.3447 64.218   1.9080  66.525   2.7276  62.007   2.6699  92.108  1.8890 88.925  1.9152 3.183380       2.690005 
1 1 1 17 2  4  o 319.391 2.1131 799.971  10.580  806.880  15.065  793.247  14.863  320.690 2.9967 317.971 2.9816 2.719391       4.227306 
1 1 1 17 2  5  o 275.404 1.9743 594.763  8.5240  577.039  12.284  611.221  11.838  271.205 2.8893 279.137 2.7052 -7.932312      3.958024 
1 1 1 17 2  6  o 248.714 1.7670 485.032  6.8896  491.162  9.8492  479.159  9.6409  250.238 2.5107 247.163 2.4882 3.075272       3.534755 
1 1 1 17 2  7  o 269.340 1.9422 568.855  8.2006  569.843  12.157  568.029  11.108  269.508 2.8775 269.099 2.6332 0.4098511      3.900450 
1 1 1 17 2  8  o 36.404  2.2982 10.435   1.3048  11.222   1.7656  9.4880   1.9369  37.699  3.0126 34.578  3.6272 3.121151       4.715101 
1 1 1 17 2  9  o 294.607 2.1802 680.669  10.069  687.950  13.111  670.198  15.722  296.127 2.8242 292.221 3.4320 3.906006       4.444642 
1 1 1 17 2  10 o 53.456  1.8304 22.407   1.5339  20.561   2.1755  24.232   2.1631  51.124  2.7243 55.582  2.4826 -4.458065      3.685799 
1 1 1 17 2  11 o 348.142 2.3613 950.616  12.887  962.876  17.653  936.626  18.858  350.287 3.2147 345.445 3.4822 4.842010       4.739230 
1 1 1 17 2  12 o 109.596 1.4661 94.171   2.5189  100.559  3.6307  88.243   3.4975  113.239 2.0452 106.077 2.1032 7.162315       2.933702 
1 1 1 17 2  13 o 151.103 1.5230 179.014  3.6077  176.623  4.6071  182.803  5.8010  150.078 1.9582 152.663 2.4239 -2.585220      3.116045 
1 1 1 17 2  14 o 123.076 1.3867 118.759  2.6756  117.685  3.5905  120.101  4.0123  122.507 1.8696 123.753 2.0682 -1.245590      2.787941 
1 1 1 17 2  15 o 103.466 1.4015 83.930   2.2732  84.080   3.0534  83.744   3.4048  103.548 1.8810 103.336 2.1017 0.2121658      2.820528 
1 1 1 17 2  16 o 157.590 1.4702 194.713  3.6322  194.602  4.9223  194.846  5.3819  157.529 1.9932 157.620 2.1781 -0.9143066E-01 2.952447 
1 1 1 17 2  17 o 174.070 1.5305 237.571  4.1765  234.478  5.5974  241.456  6.2730  172.913 2.0649 175.457 2.2806 -2.544205      3.076540 
1 1 1 17 2  18 o 262.559 1.9161 540.599  7.8868  529.404  10.474  555.258  11.985  259.779 2.5719 266.019 2.8740 -6.240448      3.856740 
1 1 1 17 2  19 f 228.789 1.7577 410.453  6.3043  407.871  8.4861  413.633  9.4179  228.031 2.3739 229.619 2.6163 -1.587372      3.532785 
1 1 1 17 2  20 o 108.857 1.4012 92.907   2.3912  89.599   3.1775  97.228   3.6312  106.891 1.8962 111.342 2.0803 -4.451889      2.814868 
1 1 1 17 2  21 o 112.291 1.4730 98.864   2.5930  100.478  3.6980  97.304   3.6369  113.187 2.0841 111.385 2.0828 1.802132       2.946443 
1 1 1 17 2  22 o 99.179  1.4125 77.123   2.1961  74.697   2.9276  80.245   3.3210  97.595  1.9135 101.150 2.0944 -3.554863      2.836854 
1 1 1 17 2  23 o 54.973  1.7784 23.699   1.5327  24.033   2.0508  23.275   2.3066  55.351  2.3635 54.464  2.7016 0.8863907      3.589515 
1 1 1 17 2  24 o 205.794 1.6521 332.095  5.3301  327.222  7.1275  338.277  8.0284  204.245 2.2260 207.649 2.4663 -3.404480      3.322319 
1 1 1 17 2  25 o 76.821  1.4980 46.273   1.8040  43.617   2.4036  49.699   2.7298  74.572  2.0561 79.599  2.1877 -5.026825      3.002211 
1 1 1 17 2  26 o 118.443 1.4097 109.996  2.6175  108.515  3.5215  111.824  3.9126  117.627 1.9097 119.400 2.0903 -1.772964      2.831312 
1 1 1 17 2  27 o 155.949 1.5516 190.705  3.7934  187.101  5.3156  194.445  5.4151  154.438 2.1956 157.439 2.1940 -3.001740      3.103896 
1 1 1 17 2  28 o 148.224 1.5273 172.280  3.5489  168.656  4.9240  176.197  5.1194  146.628 2.1421 149.868 2.1790 -3.240036      3.055624 
1 1 1 17 2  29 o 251.478 2.0531 496.090  8.0941  516.606  12.466  481.138  10.642  256.497 3.1003 247.584 2.7420 8.913910       4.138893 
1 1 1 17 2  30 o 136.171 1.6557 145.420  3.5345  143.990  4.4655  147.817  5.7831  135.477 2.1026 137.228 2.6882 -1.750793      3.412814 
1 1 1 17 2  31 o 45.684  2.3082 16.419   1.6477  15.811   2.0237  17.614   2.8381  44.780  2.8983 47.173  3.8720 -2.392651      4.836522 
1 1 1 17 2  32 o 110.921 1.7696 96.507   3.0771  94.743   3.5704  101.600  6.0666  109.888 2.0726 113.703 3.4035 -3.814171      3.984887 
1 1 1 17 2  33 o 138.725 1.5374 150.933  3.3434  151.750  4.2498  149.606  5.4162  139.076 1.9492 138.049 2.5027 1.027191       3.172223 
1 1 1 17 2  34 o 42.000  2.5275 13.900   1.6564  13.041   2.2222  14.974   2.4847  40.570  3.5292 43.477  3.6801 -2.906898      5.098869 
1 1 1 17 2  35 o 108.953 1.8074 93.135   3.0871  97.080   4.0376  87.583   4.7898  111.202 2.3161 105.577 2.8940 5.625107       3.706667 
1 1 1 17 2  36 o 59.882  1.8353 28.138   1.7229  27.698   2.5378  28.514   2.3464  59.374  2.7266 60.254  2.4841 -0.8801575     3.688462 
1 1 1 17 2  37 o 106.420 1.6333 88.854   2.7248  86.986   3.8158  90.799   3.8923  105.245 2.3128 107.527 2.3091 -2.282494      3.268137 
1 1 1 17 2  38 o 47.885  2.2296 18.008   1.6737  17.168   2.3172  18.924   2.4202  46.599  3.1912 48.938  3.1717 -2.339443      4.499288 
1 1 1 17 2  39 o 172.954 1.7519 234.780  4.7500  233.344  6.0016  237.187  7.7713  172.355 2.2212 173.648 2.8547 -1.293182      3.617098 
1 1 1 17 2  40 o 73.519  1.5647 42.415   1.8034  42.269   2.3829  42.612   2.7590  73.360  2.0720 73.632  2.3902 -0.2723541     3.163248 
1 1 1 17 2  41 o 17.715  4.2105 2.5814   1.1521  3.0657   1.5399  1.9657   1.7363  19.297  5.0367 16.386  5.6127 2.911261       7.541281 
1 1 1 17 2  42 o 64.746  1.5669 32.904   1.5904  36.179   2.2448  29.605   2.2535  67.853  2.1103 61.361  2.3427 6.491669       3.153035 
1 1 1 17 2  43 o 127.059 1.3484 126.683  2.6858  127.611  3.7717  125.729  3.8254  127.456 1.8877 126.506 1.9289 0.9494400      2.698894 
1 1 1 17 2  44 o 71.126  1.3417 39.700   1.4960  38.939   2.1485  40.416   2.0843  70.395  1.9469 71.726  1.8537 -1.330910      2.688229 
1 1 1 17 2  45 o 61.496  1.4199 29.685   1.3689  28.812   1.9656  30.507   1.9075  60.537  2.0712 62.302  1.9531 -1.765419      2.846817 
1 1 1 17 2  46 o 28.986  2.5343 6.6674   1.1400  5.0844   1.6078  8.2681   1.6167  24.963  4.2613 32.191  3.2481 -7.227444      5.358068 
1 1 1 17 2  47 o 52.638  1.6003 21.763   1.3206  22.464   2.0616  21.275   1.7197  53.405  2.4624 52.006  2.1094 1.398670       3.242381 
1 1 1 17 2  48 o 24.900  2.5958 4.9399   0.9984  5.7456   1.4209  4.1543   1.4031  26.720  3.4745 22.519  4.1266 4.200840       5.394485 
1 1 1 17 2  49 o 67.027  1.4277 35.279   1.5001  33.891   2.0503  36.878   2.2006  65.638  1.9926 68.462  2.0504 -2.824333      2.859119 
1 1 1 17 2  50 o 64.600  1.3937 32.771   1.4115  33.184   2.0601  32.406   1.9377  64.939  2.0236 64.185  1.9258 0.7539139      2.793476 
1 1 1 17 2  51 f 64.613  1.3635 32.785   1.3811  35.537   1.9580  30.059   1.9484  67.218  1.8581 61.801  2.0111 5.416252       2.738049 
1 1 1 17 2  52 o 27.380  2.3812 5.9549   1.0119  4.5029   1.4177  7.4627   1.4447  23.461  3.9981 30.558  3.0569 -7.097315      5.032807 
1 1 1 17 2  53 o 25.842  2.5439 5.3220   1.0172  7.0397   1.5710  4.0818   1.3349  29.581  3.4526 22.310  3.9619 7.271200       5.255198 
1 1 1 17 2  54 o 14.515  4.1526 1.7260   0.9926  2.2284   1.5036  1.3379   1.3215  16.628  5.1965 13.760  4.8838 2.867655       7.131276 
1 1 1 17 2  55 o 127.450 1.3282 127.603  2.6538  128.040  3.9620  127.246  3.5740  127.495 1.9823 127.156 1.7929 0.3391647      2.672849 
1 1 1 17 2  56 o 78.982  1.4141 49.027   1.7509  49.316   2.5166  48.756   2.4375  79.102  2.0294 78.663  1.9766 0.4394150      2.832940 
1 1 1 17 2  57 f 24.133  2.8495 4.6803   1.0573  3.5238   1.5336  5.7280   1.4596  20.465  4.8536 26.558  3.5984 -6.093197      6.042026 
1 1 1 17 2  58 o 37.690  1.9304 11.228   1.1367  13.338   1.7368  9.6477   1.5035  40.928  2.7225 34.767  2.7818 6.160637       3.892405 
1 1 1 17 2  59 f 135.886 1.2940 145.144  2.7565  145.960  4.3141  144.581  3.5833  135.990 2.0236 135.488 1.6871 0.5016632      2.634618 
1 1 1 17 2  60 o 52.561  1.7474 21.776   1.4398  23.435   1.9657  19.856   2.1148  54.414  2.3044 49.924  2.7123 4.490562       3.559049 
1 1 1 17 2  61 f 34.237  2.3399 9.3304   1.2484  9.0596   1.6507  9.6924   1.9081  33.519  3.1794 34.556  3.5739 -1.037090      4.783410 
1 1 1 17 2  62 o 30.822  2.6291 7.6110   1.2582  7.1511   1.7036  8.1630   1.8663  29.536  3.7649 31.554  3.8529 -2.017645      5.386933 
1 1 1 17 2  63 o 35.246  2.2731 9.8964   1.2493  9.6481   1.6708  10.211   1.8814  34.555  3.1178 35.449  3.4283 -0.8936691     4.633964 
1 1 1 17 2  64 o 54.202  1.6197 23.186   1.3763  24.860   1.7781  20.684   2.1737  56.018  2.0248 50.806  2.7393 5.212200       3.406414 
1 1 1 17 2  65 o 19.119  3.7114 3.0686   1.0723  4.0583   1.3652  1.4747   1.7325  21.915  4.1251 14.645  5.5268 7.270455       6.896464 
1 1 1 17 2  66 o 24.721  2.7118 4.9533   1.0337  4.7870   1.3621  5.1791   1.5874  23.949  3.7511 24.732  4.2471 -0.7832108     5.666504 
1 1 1 17 2  67 o 10.294  4.0460 0.5627   0.9557  -0.6867  1.2432  2.3682   1.4945  8.8331  4.0334 16.584  5.1804 -7.750672      6.565457 
1 1 1 17 2  68 o 39.050  2.2689 12.207   1.3830  13.124   2.1138  11.520   1.8287  39.988  3.4043 37.580  3.1326 2.407578       4.626300 
1 1 1 17 2  69 o 16.831  3.8619 2.4266   0.9974  3.0667   1.2842  1.4538   1.5832  18.770  4.4349 14.149  5.2947 4.620919       6.906644 
1 1 1 17 2  70 o 13.464  4.3614 1.5069   1.0512  0.9724   1.4443  2.1089   1.5329  12.686  4.9776 15.757  5.2744 -3.071812      7.252240 
1 1 1 17 2  71 o 27.028  2.6712 5.9404   1.1170  5.4284   1.5068  6.5651   1.6643  25.311  3.9244 27.883  3.9155 -2.572300      5.543668 
1 1 1 17 2  72 o 24.076  3.7980 4.9110   1.3859  4.9025   2.0294  4.9185   1.8973  23.107  5.6496 23.331  5.3071 -0.2244091     7.751320 
1 1 1 17 2  73 o 29.764  4.0318 7.5504   1.8328  7.6073   2.5660  7.4911   2.6188  28.640  5.9112 28.283  6.0867 0.3570347      8.484687 
1 1 1 17 2  74 o 14.399  5.6214 1.4794   1.8348  2.9234   2.7550  0.3284   2.4596  18.186  6.9438 13.722  6.0055 4.463382       9.180544 
1 1 1 17 2  75 o 31.705  4.0369 8.6554   1.9609  9.9137   2.9367  7.6429   2.6343  32.332  6.0153 28.190  6.1352 4.141993       8.592148 
1 1 1 17 3  0  o 128.326 2.1188 129.213  4.2598  129.213  4.2598  129.213  4.2598  128.326 2.1188 128.326 2.1188 0.000000       0.000000 
1 1 1 17 3  1  o 58.653  1.6651 26.973   1.5310  27.469   2.0648  26.368   2.2818  59.182  2.2256 57.979  2.5105 1.202469       3.354929 
1 1 1 17 3  2  f 39.037  2.1865 11.989   1.3327  11.501   1.7872  12.599   2.0003  38.167  3.0113 39.939  3.2222 -1.771935      4.410267 
1 1 1 17 3  3  o 226.508 1.7450 402.295  6.1963  400.052  8.3583  405.030  9.2324  225.844 2.3608 227.230 2.5918 -1.385803      3.505793 
1 1 1 17 3  4  f 83.311  1.4546 54.417   1.8997  52.249   2.5355  57.191   2.8685  81.626  1.9814 85.396  2.1427 -3.769348      2.918447 
1 1 1 17 3  5  o 295.750 2.0858 685.948  9.6703  695.832  13.260  674.718  14.134  297.809 2.8402 293.233 3.0746 4.576569       4.185677 
1 1 1 17 3  6  f 262.200 1.9216 539.106  7.8985  541.920  10.732  535.781  11.667  262.836 2.6045 261.323 2.8480 1.513000       3.859367 
1 1 1 17 3  7  o 194.073 1.6140 295.316  4.9105  292.367  6.5955  298.984  7.3554  193.078 2.1790 195.238 2.4032 -2.160828      3.243993 
1 1 1 17 3  8  f 143.374 1.4546 161.165  3.2693  158.214  4.3864  164.852  4.9038  142.040 1.9699 144.983 2.1576 -2.942505      2.921560 
1 1 1 17 3  9  o 78.766  1.4839 48.642   1.8323  52.621   2.5603  44.465   2.6232  81.915  1.9938 75.296  2.2223 6.619820       2.985626 
1 1 1 17 3  10 o 205.952 1.6632 332.583  5.3700  327.746  7.1775  338.733  8.0933  204.421 2.2397 207.805 2.4844 -3.383499      3.344912 
1 1 1 17 3  11 o 355.283 2.4083 990.102  13.414  978.034  17.952  1005.36  20.183  353.010 3.2439 357.855 3.5977 -4.844421      4.844203 
1 1 1 17 3  12 o 174.902 1.5471 239.851  4.2419  239.748  5.7430  239.974  6.2923  174.843 2.0953 174.916 2.2947 -0.7286072E-01 3.107374 
1 1 1 17 3  13 o 196.159 1.6210 301.705  4.9849  304.200  6.7859  298.780  7.3470  196.941 2.1979 195.167 2.4013 1.774094       3.255332 
1 1 1 17 3  14 o 70.774  1.5790 39.275   1.7519  40.954   2.3914  37.329   2.5739  72.263  2.1109 68.985  2.3800 3.277252       3.181291 
1 1 1 17 3  15 o 126.767 1.4311 125.994  2.8440  133.763  3.9811  117.896  4.0641  130.602 1.9445 122.606 2.1145 7.995857       2.872608 
1 1 1 17 3  16 f 82.454  1.4844 53.306   1.9187  55.157   2.6128  51.139   2.8267  83.864  1.9874 80.746  2.2331 3.118011       2.989381 
1 1 1 17 3  17 o 96.851  1.4369 73.544   2.1817  73.110   2.9358  74.080   3.2605  96.553  1.9395 97.186  2.1401 -0.6329803     2.888221 
1 1 1 17 3  18 o 170.271 1.5307 227.323  4.0859  234.156  5.6353  219.750  5.9329  172.787 2.0804 167.378 2.2611 5.408875       3.072572 
1 1 1 17 3  19 o 103.071 1.5094 83.298   2.4389  84.929   3.4533  81.675   3.4450  104.058 2.1169 102.045 2.1535 2.013725       3.019724 
1 1 1 17 3  20 o 347.465 2.4843 947.190  13.532  930.412  18.809  965.195  19.484  344.225 3.4855 350.589 3.5452 -6.364532      4.971621 
1 1 1 17 3  21 o 64.009  1.6436 32.128   1.6493  31.671   2.1998  32.715   2.4924  63.542  2.2084 64.575  2.4621 -1.033207      3.307367 
1 1 1 17 3  22 o 213.546 1.6979 357.602  5.6841  354.695  7.6384  361.209  8.5090  212.637 2.2915 214.561 2.5297 -1.924545      3.413259 
1 1 1 17 3  23 o 223.987 1.8302 393.461  6.4267  391.991  8.2560  395.722  10.238  223.528 2.3560 224.537 2.9085 -1.008957      3.743020 
1 1 1 17 3  24 o 239.580 1.8150 450.157  6.8167  460.290  9.3819  438.826  9.9211  242.204 2.4709 236.469 2.6763 5.735367       3.642501 
1 1 1 17 3  25 f 204.270 1.6577 327.220  5.3085  331.568  7.2472  322.186  7.7978  205.581 2.2487 202.634 2.4547 2.946579       3.329014 
1 1 1 17 3  26 o 188.973 1.5990 280.044  4.7369  276.486  6.3453  284.524  7.1191  187.733 2.1561 190.424 2.3848 -2.691040      3.214941 
1 1 1 17 3  27 o 144.898 1.4066 164.633  3.1952  161.449  4.4204  168.117  4.6239  143.465 1.9654 146.394 2.0148 -2.929504      2.814653 
1 1 1 17 3  28 o 127.486 1.3712 127.442  2.7405  131.482  3.9030  123.513  3.8488  129.467 1.9230 125.480 1.9566 3.986214       2.743420 
1 1 1 17 3  29 o 70.391  1.6309 38.860   1.7997  38.425   2.6998  39.209   2.4145  69.969  2.4613 70.690  2.1788 -0.7205200     3.287090 
1 1 1 17 3  30 o 95.529  1.5659 71.572   2.3450  74.689   3.1598  67.751   3.4988  97.566  2.0659 92.908  2.4022 4.658173       3.168373 
1 1 1 17 3  31 o 128.895 1.5675 130.305  3.1674  125.898  4.1253  136.634  4.9438  126.667 2.0775 131.934 2.3903 -5.267403      3.166930 
1 1 1 17 3  32 o 140.804 1.6737 155.519  3.6944  158.087  4.7699  151.668  5.8407  141.927 2.1438 138.967 2.6810 2.959793       3.432768 
1 1 1 17 3  33 o 51.311  2.2522 20.668   1.8117  19.586   2.4440  21.988   2.6991  49.816  3.1456 52.779  3.2784 -2.962582      4.543447 
1 1 1 17 3  34 o 70.577  1.8271 39.086   2.0215  38.450   2.6562  39.962   3.1163  69.971  2.4215 71.311  2.7876 -1.339958      3.692439 
1 1 1 17 3  35 o 105.768 1.6006 87.767   2.6540  88.760   3.7434  86.763   3.7633  106.317 2.2460 105.111 2.2838 1.206268       3.203206 
1 1 1 17 3  36 o 95.978  1.6417 72.282   2.4702  70.073   3.3396  74.950   3.6706  94.456  2.2553 97.675  2.3972 -3.219017      3.291357 
1 1 1 17 3  37 f 71.705  1.7925 40.358   2.0149  40.117   2.6719  40.674   3.0681  71.453  2.3853 71.921  2.7212 -0.4673691     3.618613 
1 1 1 17 3  38 o 126.937 1.5141 126.436  3.0129  126.457  3.8088  126.400  4.9251  126.906 1.9145 126.804 2.4776 0.1027222      3.131080 
1 1 1 17 3  39 o 69.248  1.6383 37.639   1.7785  38.572   2.2310  36.013   2.9456  70.075  2.0309 67.648  2.7776 2.426521       3.440874 
1 1 1 17 3  40 o 16.438  4.5284 2.2084   1.2042  2.9178   1.4888  0.8662   2.0479  18.828  4.9708 14.670  5.8717 4.157579       7.693211 
1 1 1 17 3  41 o 180.603 1.6685 256.100  4.7239  262.195  6.7587  250.278  6.6052  182.586 2.3612 178.388 2.3619 4.197784       3.339794 
1 1 1 17 3  42 o 110.301 1.4975 95.504   2.5895  96.127   3.6575  94.877   3.6667  110.581 2.1099 109.857 2.1291 0.7244339      2.997411 
1 1 1 17 3  43 o 27.991  2.7258 6.2306   1.1809  6.5776   1.7625  5.9479   1.5907  28.530  4.0549 27.146  3.8454 1.383883       5.588337 
1 1 1 17 3  44 o 86.385  1.4556 58.585   1.9713  57.912   2.8970  59.166   2.6902  85.807  2.1536 86.755  1.9780 -0.9477310     2.924145 
1 1 1 17 3  45 o 59.168  1.6078 27.497   1.4913  26.031   2.1388  28.885   2.0804  57.499  2.3728 60.589  2.1903 -3.089966      3.229139 
1 1 1 17 3  46 o 61.738  1.5825 29.940   1.5317  30.895   2.2621  29.131   2.0813  62.642  2.3035 60.841  2.1822 1.801144       3.173046 
1 1 1 17 3  47 o 171.593 1.5534 231.289  4.1787  233.239  6.1779  229.645  5.6734  172.098 2.2899 170.824 2.1186 1.273712       3.119586 
1 1 1 17 3  48 o 105.370 1.4178 87.193   2.3419  87.041   3.4083  87.329   3.2234  105.166 2.0673 105.364 1.9515 -0.1973724     2.842925 
1 1 1 17 3  49 o 42.676  1.8320 14.323   1.2256  16.054   1.6982  12.440   1.7707  45.064  2.4125 39.575  2.8738 5.488991       3.752164 
1 1 1 17 3  50 o 42.274  1.8560 14.058   1.2300  15.734   1.7482  12.414   1.7310  44.588  2.5112 39.537  2.8111 5.050884       3.769402 
1 1 1 17 3  51 o 37.127  2.0884 10.890   1.2105  9.3875   1.5941  12.936   1.8605  34.313  2.9935 40.325  2.9638 -6.012302      4.212528 
1 1 1 17 3  52 o 32.086  2.3355 8.1623   1.1667  9.4961   1.7774  7.1525   1.5465  34.432  3.3345 29.832  3.3658 4.600046       4.737874 
1 1 1 17 3  53 o 53.718  1.6616 22.694   1.3992  24.383   2.1357  21.425   1.8522  55.571  2.4515 52.118  2.2669 3.452652       3.338986 
1 1 1 17 3  54 o 70.880  1.5160 39.498   1.6845  39.508   2.5140  39.489   2.2693  70.760  2.2664 70.786  2.0450 -0.2637482E-01 3.052620 
1 1 1 17 3  55 o 38.730  2.0759 11.861   1.2558  11.830   1.9043  11.886   1.6705  38.451  3.1878 38.638  2.7765 -0.1860428     4.227398 
1 1 1 17 3  56 f 108.996 1.4304 93.405   2.4441  95.116   3.3821  91.535   3.5359  109.841 1.9641 107.712 2.0940 2.129715       2.870996 
1 1 1 17 3  57 o 38.292  2.0824 11.607   1.2453  12.560   1.7541  10.638   1.7683  39.675  2.8389 36.426  3.1270 3.249866       4.223432 
1 1 1 17 3  58 o 32.509  2.2037 8.3914   1.1164  6.1771   1.6167  10.410   1.5435  27.470  3.8608 36.104  2.7477 -8.634264      4.738780 
1 1 1 17 3  59 o 64.116  1.4295 32.347   1.4368  31.871   2.1447  32.735   1.9352  63.486  2.1550 64.400  1.9169 -0.9136276     2.884146 
1 1 1 17 3  60 o 64.877  1.4268 33.130   1.4511  32.950   2.1855  33.272   1.9405  64.526  2.1606 64.909  1.9071 -0.3822632     2.881824 
1 1 1 17 3  61 o 62.413  1.4655 30.681   1.4339  30.253   2.1580  31.018   1.9186  61.783  2.2281 62.639  1.9539 -0.8561478     2.963407 
1 1 1 17 3  62 o 103.751 1.4786 84.826   2.4049  81.599   3.6535  87.294   3.1947  101.376 2.2989 105.048 1.9399 -3.671608      3.008033 
1 1 1 17 3  63 o 37.396  2.2171 11.143   1.2939  10.670   1.7136  11.770   1.9736  36.332  3.0364 38.052  3.3424 -1.719948      4.515659 
1 1 1 17 3  64 o 12.825  4.6095 1.2061   1.1808  0.1259   1.5054  2.9336   1.9037  11.237  4.8067 18.403  5.8596 -7.166702      7.578889 
1 1 1 17 3  65 o 22.152  3.3476 4.0612   1.1263  4.5454   1.4353  3.2855   1.8168  23.180  4.0999 19.257  5.6498 3.923307       6.980670 
1 1 1 17 3  66 o 39.477  1.9726 12.376   1.2208  13.660   1.5636  10.371   1.9537  41.270  2.4275 35.468  3.5619 5.801918       4.310431 
1 1 1 17 3  67 o 31.379  2.3275 7.9076   1.1368  7.3935   1.4287  8.7944   1.8766  30.068  3.0742 32.506  3.7514 -2.437960      4.850152 
1 1 1 17 3  68 o 16.817  4.4028 2.4630   1.1744  4.2556   1.5600  0.1187   1.7840  22.074  4.6548 11.967  5.1770 10.10660       6.961948 
1 1 1 17 3  69 o 48.201  1.7945 18.440   1.3560  17.610   1.8707  19.359   1.9684  46.739  2.5629 49.007  2.5711 -2.268013      3.630292 
1 1 1 17 3  70 o 17.051  3.7648 2.4929   0.9794  0.8853   1.2269  5.3172   1.6262  11.900  4.6104 24.834  4.3349 -12.93351      6.328340 
1 1 1 17 3  71 o 33.143  2.2876 8.8408   1.1813  9.3270   1.6170  8.2844   1.7299  33.690  3.0963 31.501  3.5658 2.188839       4.722526 
1 1 1 17 3  72 o 37.858  2.6927 11.656   1.5877  12.582   2.3366  10.862   2.1640  38.587  3.9171 35.832  3.9161 2.755005       5.538947 
1 1 1 17 3  73 o 48.478  2.3955 18.939   1.8205  19.005   2.4623  18.859   2.7038  47.883  3.3004 47.399  3.6672 0.4838104      4.933692 
1 1 1 17 3  74 o 33.853  3.3196 9.5860   1.7391  8.1075   2.5908  10.799   2.3463  29.282  5.8485 35.198  4.3443 -5.915419      7.285446 
1 1 1 17 3  75 o 11.649  4.9996 0.3713   1.6384  -1.2517  2.4229  1.7388   2.2240  11.604  5.4146 15.193  6.1054 -3.588452      8.160489 
1 1 1 17 4  0  o 7.8749  5.2908 -0.7696  1.8503  -0.7696  1.8503  -0.7696  1.8503  7.8749  5.2908 7.8749  5.2908 0.000000       0.000000 
1 1 1 17 4  1  o 164.107 1.5970 211.162  4.1086  214.648  5.8746  207.824  5.7482  165.429 2.2653 162.778 2.2526 2.650177       3.194602 
1 1 1 17 4  2  o 201.834 1.7293 319.430  5.4716  311.555  7.5750  328.021  7.9119  199.294 2.4246 204.490 2.4681 -5.195877      3.459757 
1 1 1 17 4  3  o 201.107 1.7296 317.135  5.4529  325.782  7.8662  309.137  7.5657  203.791 2.4622 198.518 2.4311 5.272202       3.460146 
1 1 1 17 4  4  o 218.333 1.8095 373.804  6.1933  370.365  8.6862  377.360  8.8329  217.282 2.5501 219.323 2.5690 -2.040787      3.619781 
1 1 1 17 4  5  o 39.197  2.4345 12.099   1.4886  11.049   2.0573  13.252   2.1564  37.346  3.5571 40.948  3.3897 -3.602627      4.913582 
1 1 1 17 4  6  o 209.404 1.7692 343.851  5.8078  341.781  8.1696  345.966  8.2582  208.731 2.4967 210.004 2.5084 -1.273239      3.539148 
1 1 1 17 4  7  o 233.521 1.7979 427.622  6.5819  417.414  8.7449  440.961  9.9964  230.678 2.4182 237.074 2.6897 -6.395645      3.616953 
1 1 1 17 4  8  o 46.209  2.1807 16.747   1.5797  16.190   2.0253  17.613   2.5243  45.333  2.8645 47.242  3.4318 -1.909367      4.470222 
1 1 1 17 4  9  o 52.150  1.9688 21.328   1.6096  20.593   2.3370  21.992   2.2202  51.143  2.9269 52.876  2.6873 -1.732361      3.973463 
1 1 1 17 4  10 o 114.050 1.4441 101.984  2.5819  101.174  3.4843  102.971  3.8450  113.583 1.9568 114.581 2.1406 -0.9980621     2.900225 
1 1 1 17 4  11 o 175.824 1.6310 242.403  4.4956  244.657  6.3943  240.200  6.3217  176.607 2.3096 174.992 2.3044 1.615692       3.262595 
1 1 1 17 4  12 o 167.829 1.6081 220.858  4.2309  220.182  5.4473  221.887  6.7170  167.552 2.0739 168.174 2.5478 -0.6219482     3.285145 
1 1 1 17 4  13 o 93.476  1.4822 68.511   2.1720  66.633   2.8744  71.010   3.3160  92.175  1.9892 95.147  2.2231 -2.972511      2.983133 
1 1 1 17 4  14 o 210.631 1.6958 347.894  5.5994  354.432  7.6824  340.486  8.1783  212.564 2.3054 208.326 2.5042 4.238159       3.403811 
1 1 1 17 4  15 o 201.342 1.6558 317.884  5.2262  322.374  7.1512  312.737  7.6565  202.725 2.2502 199.658 2.4462 3.066559       3.323725 
1 1 1 17 4  16 o 287.794 2.0598 649.623  9.2933  650.263  12.607  648.862  13.753  287.859 2.7937 287.516 3.0512 0.3425903      4.137014 
1 1 1 17 4  17 o 116.869 1.4417 107.094  2.6414  106.812  3.5778  107.431  3.9161  116.700 1.9556 117.031 2.1345 -0.3311462     2.894948 
1 1 1 17 4  18 o 214.298 1.7995 360.147  6.0453  355.971  8.4824  364.457  8.6178  212.998 2.5403 215.521 2.5507 -2.523132      3.599882 
1 1 1 17 4  19 o 158.310 1.5147 196.518  3.7592  190.982  4.9955  203.745  5.7081  156.041 2.0421 161.158 2.2593 -5.117218      3.045486 
1 1 1 17 4  20 o 236.730 1.7407 439.492  6.4599  439.122  9.0728  439.873  9.1999  236.572 2.4464 236.771 2.4786 -0.1991425     3.482538 
1 1 1 17 4  21 o 148.869 1.4324 173.775  3.3430  173.430  4.6717  174.137  4.7856  148.696 2.0041 148.997 2.0488 -0.3006897     2.866057 
1 1 1 17 4  22 o 215.184 1.6520 363.125  5.5726  371.352  7.9800  355.295  7.7854  217.554 2.3398 212.799 2.3338 4.754868       3.304731 
1 1 1 17 4  23 o 101.127 1.4558 80.191   2.3080  82.060   3.3863  78.570   3.1540  102.276 2.1120 100.081 2.0103 2.194786       2.915800 
1 1 1 17 4  24 o 234.344 1.9881 430.791  7.3037  422.438  9.5935  442.308  11.264  231.992 2.6379 237.334 3.0276 -5.341843      4.015538 
1 1 1 17 4  25 o 43.137  2.3403 14.645   1.5767  14.536   2.0737  14.795   2.4275  42.909  3.1036 43.237  3.6146 -0.3275566     4.764208 
1 1 1 17 4  26 o 144.933 1.7082 164.753  3.8811  164.219  4.9137  165.639  6.3282  144.669 2.1666 145.246 2.7792 -0.5764008     3.523945 
1 1 1 17 4  27 f 153.241 1.8277 184.209  4.3908  178.089  5.6687  193.387  6.9420  150.632 2.4006 156.928 2.8218 -6.296814      3.704764 
1 1 1 17 4  28 f 133.571 1.6591 139.941  3.4740  140.886  4.4159  138.406  5.6275  133.994 2.1022 132.762 2.7039 1.231750       3.424952 
1 1 1 17 4  29 o 120.700 1.5503 114.266  2.9334  117.971  3.9506  109.713  4.3794  122.612 2.0553 118.221 2.3630 4.390488       3.131806 
1 1 1 17 4  30 o 97.593  1.4866 74.703   2.2743  74.882   3.1681  74.512   3.2670  97.681  2.0689 97.435  2.1389 0.2461166      2.975716 
1 1 1 17 4  31 o 201.218 1.6563 317.636  5.2247  324.098  7.7493  312.251  7.0744  203.153 2.4332 199.431 2.2628 3.722443       3.322794 
1 1 1 17 4  32 o 106.458 1.5464 88.907   2.5808  85.132   3.3279  94.604   4.0879  104.142 2.0384 109.755 2.3758 -5.612724      3.130464 
1 1 1 17 4  33 o 211.370 1.6986 350.571  5.6284  345.898  8.1657  354.800  7.7686  209.828 2.4824 212.540 2.3316 -2.711655      3.405669 
1 1 1 17 4  34 o 34.791  2.1249 9.5405   1.1534  10.795   1.5422  7.9483   1.7374  36.961  2.6799 31.563  3.5744 5.397585       4.467428 
1 1 1 17 4  35 o 56.784  1.5430 25.301   1.3735  27.511   1.8355  22.489   2.0706  59.192  1.9781 53.492  2.4692 5.699879       3.163828 
1 1 1 17 4  36 o 28.984  2.4509 6.6506   1.1032  7.2335   1.4994  5.9627   1.6289  30.133  3.2241 27.205  3.9336 2.928640       5.086040 
1 1 1 17 4  37 o 138.842 1.3380 151.243  2.9123  148.367  3.8726  154.987  4.4184  137.464 1.7970 140.468 2.0065 -3.003815      2.693587 
1 1 1 17 4  38 o 55.637  1.6212 24.300   1.4140  24.241   1.9414  24.367   2.0637  55.532  2.2301 55.667  2.3648 -0.1351776     3.250419 
1 1 1 17 4  39 o 65.478  1.5815 33.657   1.6233  34.532   2.1720  32.550   2.4433  66.286  2.0902 64.326  2.4229 1.960068       3.199933 
1 1 1 17 4  40 o 40.456  2.0488 12.897   1.2951  12.232   1.6824  13.865   2.0290  39.312  2.7473 41.811  3.1181 -2.499100      4.155709 
1 1 1 17 4  41 o 51.099  1.8500 20.516   1.4819  20.301   1.8431  20.910   2.4925  50.796  2.3145 51.382  3.1090 -0.5860825     3.875910 
1 1 1 17 4  42 o 80.176  1.5352 50.475   1.9296  48.852   2.3692  53.673   3.3253  78.838  1.9170 82.545  2.5697 -3.707642      3.205964 
1 1 1 17 4  43 o 24.871  3.1542 4.9631   1.2022  4.6634   1.4571  5.6019   2.1275  23.923  4.0284 25.976  5.4007 -2.052610      6.737600 
1 1 1 17 4  44 o 85.106  1.6270 56.900   2.1706  56.607   2.5501  57.671   4.1360  84.850  1.9171 85.433  3.0882 -0.5831680     3.634850 
1 1 1 17 4  45 o 60.197  1.8237 28.488   1.7210  29.879   2.0332  24.971   3.2325  61.619  2.1048 55.983  3.7041 5.636101       4.260358 
1 1 1 17 4  46 o 63.613  1.8865 31.825   1.8813  32.556   2.6352  31.066   2.6867  64.241  2.6167 62.735  2.7319 1.506180       3.782910 
1 1 1 17 4  47 o 12.972  4.6026 1.1748   1.1736  2.0896   1.5903  0.0806   1.7393  16.377  5.3677 12.222  5.1958 4.155575       7.470517 
1 1 1 17 4  48 o 62.663  1.6948 30.871   1.6649  31.222   2.3505  30.516   2.3586  62.928  2.3826 62.207  2.4185 0.7211113      3.395042 
1 1 1 17 4  49 o 55.170  1.8055 23.942   1.5616  24.772   2.4813  23.398   2.0094  55.902  2.8408 54.473  2.3531 1.429432       3.688756 
1 1 1 17 4  50 o 48.485  1.9320 18.505   1.4685  20.212   2.3296  17.379   1.8916  50.444  2.9589 46.839  2.5862 3.604607       3.929838 
1 1 1 17 4  51 o 30.231  2.7870 7.2902   1.3060  8.9332   2.0885  6.2352   1.6735  33.188  4.1014 27.677  3.9707 5.511126       5.708593 
1 1 1 17 4  52 o 44.361  1.9674 15.501   1.3682  16.693   1.9973  14.448   1.8779  45.837  2.7929 42.625  2.8264 3.212086       3.973510 
1 1 1 17 4  53 o 12.325  4.6331 0.9292   1.2150  -0.1159  1.8967  1.6565   1.5822  12.349  5.3402 15.119  5.3462 -2.770050      7.556381 
1 1 1 17 4  54 o 63.655  1.6713 31.890   1.6678  31.181   2.4124  32.540   2.3082  62.797  2.4506 64.185  2.2939 -1.388412      3.356672 
1 1 1 17 4  55 o 80.125  1.5255 50.505   1.9162  52.956   2.8059  48.363   2.6231  81.889  2.1857 78.270  2.1378 3.618965       3.057328 
1 1 1 17 4  56 o 77.735  1.5389 47.555   1.8753  48.316   2.6946  46.840   2.6115  78.193  2.1982 76.998  2.1635 1.194412       3.084298 
1 1 1 17 4  57 o 45.855  1.9427 16.596   1.3965  15.599   1.9443  17.658   2.0073  44.203  2.8204 47.067  2.7322 -2.863823      3.926785 
1 1 1 17 4  58 o 28.778  2.4060 6.6103   1.0755  7.3498   1.6175  6.0243   1.4399  30.072  3.4965 27.201  3.4545 2.870342       4.915187 
1 1 1 17 4  59 o 31.749  2.2420 8.0249   1.1087  7.4980   1.6410  8.4675   1.5039  30.342  3.5150 32.426  2.9922 -2.084904      4.616142 
1 1 1 17 4  60 o 53.592  1.5874 22.645   1.3337  21.631   2.0154  23.435   1.7789  52.163  2.4646 54.402  2.0858 -2.239014      3.228730 
1 1 1 17 4  61 o 18.867  3.7723 2.9844   1.0768  4.6236   1.5945  1.6104   1.4599  23.340  4.5213 14.547  5.1363 8.792937       6.842771 
1 1 1 17 4  62 o 11.259  4.3292 0.7509   1.0755  0.6064   1.6246  0.8637   1.4350  12.543  5.1519 12.569  4.9520 -0.2617455E-01 7.145994 
1 1 1 17 4  63 o 32.269  2.2930 8.3316   1.1524  9.9181   1.7483  7.1127   1.5324  34.888  3.2333 29.445  3.3812 5.442883       4.678339 
1 1 1 17 4  64 o 24.897  3.0580 5.0743   1.1684  5.5030   1.6276  4.6183   1.6785  25.485  4.2216 23.061  4.7990 2.424309       6.391612 
1 1 1 17 4  65 o 24.885  3.0657 5.0798   1.1707  5.6072   1.7300  4.6343   1.5900  25.567  4.4796 23.166  4.5405 2.401064       6.378336 
1 1 1 17 4  66 o 30.044  2.6965 7.3174   1.2565  7.8160   1.7114  6.7343   1.8507  30.661  3.6310 28.094  4.3422 2.567209       5.660319 
1 1 1 17 4  67 o 27.936  2.6889 6.3397   1.1630  6.0017   1.4493  6.9510   1.9492  26.839  3.5302 28.411  4.5285 -1.571665      5.741903 
1 1 1 17 4  68 o 7.7559  3.6018 -0.8099  1.0520  -0.6900  1.2921  -1.0458  1.8120  8.9753  4.1037 10.384  4.7886 -1.408739      6.306427 
1 1 1 17 4  69 o 27.568  3.4347 6.3291   1.4522  9.9419   2.1293  3.1871   1.9857  34.285  4.0392 18.689  5.9881 15.59593       7.223037 
1 1 1 17 4  70 o 25.227  2.8381 5.2208   1.1029  4.9003   1.3402  5.8934   1.9413  24.083  3.6655 25.731  4.9927 -1.648922      6.193786 
1 1 1 17 4  71 o 24.578  4.1066 5.2097   1.5265  5.8207   2.3642  4.7730   1.9990  24.745  6.1271 22.648  5.6491 2.096857       8.333860 
1 1 1 17 4  72 o 20.140  5.2068 3.7382   1.6560  3.7645   2.3488  3.7123   2.3351  19.704  6.5267 19.589  6.5084 0.1146297      9.217219 
1 1 1 17 4  73 o 39.476  3.0455 12.899   1.8702  11.196   2.6412  14.612   2.6484  35.339  4.8994 41.114  4.1666 -5.774712      6.431529 
1 1 1 17 4  74 o 42.015  2.7687 14.531   1.8134  15.900   2.4806  12.961   2.6577  43.166  3.7015 38.199  4.5261 4.966484       5.846928 
1 1 1 17 5  0  o 24.047  6.4545 5.4144   2.1027  5.4144   2.1027  5.4144   2.1027  24.047  6.4545 24.047  6.4545 0.000000       0.000000 
1 1 1 17 5  1  o 96.202  1.5503 72.567   2.3380  71.954   3.2867  73.195   3.3264  95.778  2.1890 96.600  2.1966 -0.8219223     3.101057 
1 1 1 17 5  2  o 121.304 1.5256 115.377  2.9011  115.938  4.0980  114.814  4.1076  121.578 2.1501 120.987 2.1657 0.5912323      3.051757 
1 1 1 17 5  3  o 83.784  1.6041 55.044   2.1070  53.534   2.9339  56.652   3.0277  82.612  2.2655 84.983  2.2726 -2.371170      3.208892 
1 1 1 17 5  4  o 71.793  1.6878 40.417   1.8996  37.849   2.6146  43.289   2.7647  69.460  2.4011 74.285  2.3740 -4.824715      3.376601 
1 1 1 17 5  5  o 10.985  4.6535 0.0328   1.3870  -0.2419  1.9424  0.3187   1.9813  12.527  5.4106 13.581  5.6442 -1.054023      7.818638 
1 1 1 17 5  6  o 353.540 2.5305 980.641  14.025  975.909  19.748  985.455  19.922  352.522 3.5734 354.239 3.5875 -1.717346      5.063468 
1 1 1 17 5  7  o 272.786 2.2012 583.686  9.4130  589.725  12.750  576.450  13.956  274.113 2.9670 270.970 3.2853 3.142853       4.426804 
1 1 1 17 5  8  o 171.150 1.6381 229.696  4.3952  233.061  6.2829  226.471  6.1507  172.364 2.3252 169.911 2.3091 2.453354       3.276993 
1 1 1 17 5  9  o 246.859 1.9701 477.945  7.6240  490.549  12.323  470.128  9.7043  249.979 3.1444 244.786 2.5289 5.193787       4.035170 
1 1 1 17 5  10 o 232.812 1.8117 425.063  6.6122  429.042  9.8254  421.769  8.9394  233.829 2.6804 231.859 2.4594 1.970413       3.637732 
1 1 1 17 5  11 o 207.873 1.7000 338.857  5.5400  336.301  8.1434  341.059  7.5587  207.033 2.5091 208.508 2.3125 -1.474945      3.412177 
1 1 1 17 5  12 o 97.883  1.4797 75.126   2.2706  74.129   3.0435  76.377   3.4098  97.218  1.9970 98.674  2.2043 -1.456451      2.974391 
1 1 1 17 5  13 o 76.672  1.5372 46.096   1.8477  49.799   2.6737  42.711   2.5563  79.678  2.1406 73.788  2.2099 5.889061       3.076625 
1 1 1 17 5  14 o 166.594 1.5484 217.627  4.0439  229.795  6.1641  208.434  5.3580  171.147 2.2975 163.010 2.0967 8.136765       3.110379 
1 1 1 17 5  15 o 79.568  1.4963 49.644   1.8665  52.707   2.6853  46.780   2.5962  81.971  2.0897 77.224  2.1445 4.747551       2.994263 
1 1 1 17 5  16 o 74.485  1.5550 43.506   1.8157  42.524   2.5424  44.528   2.5941  73.624  2.2028 75.339  2.1964 -1.715057      3.110670 
1 1 1 17 5  17 o 92.551  1.7535 67.177   2.5442  66.513   3.5762  67.858   3.6202  92.067  2.4778 92.993  2.4833 -0.9259415     3.508014 
1 1 1 17 5  18 o 122.564 1.5985 117.803  3.0714  121.337  4.1442  113.496  4.5750  124.366 2.1256 120.266 2.4266 4.100464       3.225912 
1 1 1 17 5  19 o 166.221 1.8062 216.702  4.7064  214.800  6.5510  218.732  6.7660  165.440 2.5259 166.942 2.5853 -1.502289      3.614405 
1 1 1 17 5  20 o 48.418  2.2848 18.395   1.7342  17.229   2.1945  20.333   2.8302  46.745  3.0107 50.741  3.5809 -3.995819      4.678361 
1 1 1 17 5  21 o 209.497 2.1041 344.330  6.9105  352.534  9.3060  334.245  10.318  211.903 2.8014 206.283 3.1906 5.619766       4.245906 
1 1 1 17 5  22 o 55.580  2.0476 24.235   1.7841  23.145   2.2376  26.139   2.9560  54.299  2.6286 57.587  3.2880 -3.287750      4.209579 
1 1 1 17 5  23 o 60.688  1.7299 28.889   1.6458  28.991   2.2170  28.763   2.4563  60.779  2.3268 60.530  2.5886 0.2484779      3.480633 
1 1 1 17 5  24 o 295.001 2.2080 682.932  10.211  682.359  13.135  683.809  16.234  294.763 2.8425 294.927 3.5113 -0.1629944     4.517647 
1 1 1 17 5  25 o 188.302 1.5561 278.100  4.5934  279.904  6.4642  276.260  6.5284  188.855 2.1834 187.618 2.2196 1.237274       3.113518 
1 1 1 17 5  26 o 148.366 1.3823 172.631  3.2150  173.276  4.3499  171.854  4.7729  148.612 1.8671 147.986 2.0573 0.6259766      2.778279 
1 1 1 17 5  27 o 68.315  1.4908 36.605   1.5966  37.201   2.1585  35.884   2.3725  68.852  1.9998 67.611  2.2383 1.240501       3.001575 
1 1 1 17 5  28 o 91.051  1.4071 65.023   2.0085  65.436   2.6074  64.420   3.1498  91.321  1.8213 90.586  2.2180 0.7348251      2.869971 
1 1 1 17 5  29 f 67.748  1.5785 36.007   1.6765  34.760   2.2216  37.656   2.5551  66.541  2.1297 69.247  2.3537 -2.705307      3.174165 
1 1 1 17 5  30 o 111.136 1.3796 96.881   2.4036  97.383   3.1120  96.137   3.7840  111.398 1.7820 110.651 2.1815 0.7473602      2.816813 
1 1 1 17 5  31 o 58.565  1.6630 26.914   1.5268  26.106   1.8973  28.399   2.5721  57.660  2.0989 60.102  2.7298 -2.442318      3.443477 
1 1 1 17 5  32 o 57.657  1.7567 26.092   1.5878  25.532   1.8933  27.422   2.9153  57.017  2.1181 58.935  3.1670 -1.917957      3.810050 
1 1 1 17 5  33 o 55.813  1.7092 24.451   1.4955  25.760   1.9837  22.727   2.2763  57.262  2.2098 53.686  2.7134 3.575821       3.499415 
1 1 1 17 5  34 o 73.999  1.5383 42.973   1.7846  43.084   2.3446  42.819   2.7514  74.062  2.0194 73.805  2.3780 0.2575378      3.119773 
1 1 1 17 5  35 f 36.017  2.2166 10.234   1.2455  11.147   1.6534  9.0357   1.8936  37.523  2.8317 33.636  3.6497 3.886440       4.619389 
1 1 1 17 5  36 o 64.806  1.5465 32.966   1.5711  34.507   2.1662  31.256   2.2822  66.265  2.0853 63.048  2.3090 3.216774       3.111259 
1 1 1 17 5  37 f 49.487  1.7331 19.233   1.3445  20.500   1.8891  17.931   1.9140  51.051  2.3604 47.661  2.5712 3.390396       3.490369 
1 1 1 17 5  38 o 105.924 1.3756 88.057   2.2842  90.336   3.1825  85.636   3.2804  107.224 1.8933 104.382 2.0047 2.842171       2.757437 
1 1 1 17 5  39 o 51.229  1.6956 20.614   1.3617  20.014   1.8590  21.308   2.0003  50.430  2.3515 52.026  2.4526 -1.596310      3.397748 
1 1 1 17 5  40 o 108.707 1.3753 92.762   2.3437  92.425   3.2694  93.117   3.3617  108.435 1.9233 108.833 1.9704 -0.3978424     2.753414 
1 1 1 17 5  41 o 64.165  1.5148 32.331   1.5237  33.193   2.1213  31.413   2.1901  64.960  2.0830 63.180  2.2112 1.779865       3.037812 
1 1 1 17 5  42 o 37.685  2.0319 11.203   1.1960  10.016   1.6140  12.648   1.7810  35.499  2.9263 39.929  2.8643 -4.430828      4.094819 
1 1 1 17 5  43 f 67.712  1.4771 36.009   1.5680  37.037   2.1934  34.935   2.2423  68.610  2.0393 66.621  2.1469 1.988884       2.961060 
1 1 1 17 5  44 o 28.194  2.6819 6.3290   1.1711  5.3918   1.4878  7.8558   1.8988  25.787  3.7936 31.184  3.9746 -5.396324      5.494459 
1 1 1 17 5  45 o 61.582  1.6271 29.804   1.5708  30.617   2.0548  28.660   2.4367  62.361  2.1018 60.268  2.5791 2.093143       3.327051 
1 1 1 17 5  46 o 83.622  1.4830 54.937   1.9440  51.823   2.5022  59.679   3.0879  81.147  1.9669 87.023  2.2634 -5.876663      2.998664 
1 1 1 17 5  47 o 48.512  1.8524 18.516   1.4087  19.245   1.8506  17.512   2.1722  49.395  2.3899 46.950  2.9666 2.445072       3.809486 
1 1 1 17 5  48 o 41.851  2.2692 13.850   1.4832  14.527   1.7667  12.235   2.7303  42.798  2.6461 38.795  4.5775 4.003452       5.287292 
1 1 1 17 5  49 o 39.721  2.0360 12.461   1.2635  11.677   1.7111  13.401   1.8738  38.302  2.8706 41.034  2.9321 -2.731998      4.103354 
1 1 1 17 5  50 o 31.455  2.6334 7.8773   1.2866  8.8035   1.8108  6.9329   1.8284  33.068  3.5485 29.159  4.1143 3.908882       5.433141 
1 1 1 17 5  51 o 110.195 1.6077 95.514   2.7773  97.727   3.7871  92.940   4.0853  111.304 2.1704 108.466 2.4026 2.838005       3.237737 
1 1 1 17 5  52 f 64.520  2.0574 32.829   2.0809  31.143   3.2407  34.012   2.7145  62.452  3.3220 65.543  2.6419 -3.090446      4.244445 
1 1 1 17 5  53 o 13.890  4.9205 1.3904   1.3408  1.5370   1.9677  1.2634   1.8320  15.567  5.8864 14.681  5.6489 0.8859816      8.158402 
1 1 1 17 5  54 o 64.862  1.7730 33.149   1.8028  37.468   2.8446  30.249   2.3307  68.741  2.6397 61.825  2.4047 6.915730       3.570782 
1 1 1 17 5  55 o 51.298  1.8151 20.748   1.4597  17.314   2.0110  24.572   2.1221  46.601  2.7651 55.696  2.4305 -9.094822      3.681458 
1 1 1 17 5  56 o 51.050  1.8702 20.566   1.4967  22.518   2.1773  18.818   2.0609  53.248  2.6083 48.578  2.7171 4.669888       3.766380 
1 1 1 17 5  57 o 28.637  2.6506 6.5756   1.1764  7.0276   1.7770  6.2229   1.5696  29.219  3.9833 27.549  3.7303 1.669733       5.457290 
1 1 1 17 5  58 o 8.3955  3.8201 -0.6194  1.1027  0.3901   1.6761  -1.3900  1.4643  12.362  5.1690 8.8747  4.1630 3.487825       6.636958 
1 1 1 17 5  59 f 20.769  3.5696 3.5763   1.1203  3.9580   1.6899  3.2771   1.4964  21.394  5.1091 19.509  4.8995 1.884766       7.078743 
1 1 1 17 5  60 f 40.480  2.0570 13.022   1.3011  15.686   2.0219  11.140   1.6997  44.133  2.9392 37.161  2.9417 6.972267       4.158383 
1 1 1 17 5  61 f 46.431  1.8720 17.072   1.3626  14.724   2.0723  18.860   1.8086  42.632  3.1225 48.652  2.3712 -6.020195      3.920787 
1 1 1 17 5  62 o 24.912  2.9672 5.0644   1.1360  7.4839   1.7118  3.1603   1.5186  30.052  3.7124 18.988  5.0238 11.06449       6.246588 
1 1 1 17 5  63 o 75.657  1.4833 45.203   1.7593  47.587   2.6245  43.257   2.3708  77.302  2.1658 73.761  2.0503 3.540573       2.982302 
1 1 1 17 5  64 o 18.506  3.9042 2.9256   1.0971  2.7516   1.6548  3.0620   1.4654  17.659  5.4405 18.622  4.9389 -0.9630833     7.347897 
1 1 1 17 5  65 f 14.877  4.7223 1.8855   1.2371  1.6511   1.7693  2.1096   1.7305  14.899  5.5929 15.944  5.5954 -1.044871      7.911327 
1 1 1 17 5  66 o 14.737  4.7745 1.8449   1.2597  0.0065   1.7638  3.7592   1.7998  11.691  5.1017 20.337  5.5090 -8.645635      7.508400 
1 1 1 17 5  67 o 16.531  4.8617 2.4118   1.3439  1.9585   1.7485  3.0660   2.1005  15.518  5.6052 18.418  6.1740 -2.900819      8.338829 
1 1 1 17 5  68 o 16.650  5.0308 2.4619   1.4241  1.8733   1.6506  4.1755   2.8164  15.155  5.4497 20.835  7.1480 -5.679657      8.988482 
1 1 1 17 5  69 f 8.7474  4.0439 -0.8535  1.3042  -0.3064  1.5836  -2.0067  2.2992  10.569  4.7124 10.802  5.1128 -0.2331409     6.953212 
1 1 1 17 5  70 o 17.063  5.4671 2.6422   1.6552  2.1786   2.0330  3.5538   2.8506  16.149  6.0084 19.380  7.1328 -3.230589      9.326139 
1 1 1 17 5  71 o 45.594  3.2276 17.248   2.2921  17.850   2.5102  14.228   5.6214  46.170  3.4940 33.642  9.9572 12.52800       10.55246 
1 1 1 17 5  72 o 25.169  5.6186 6.0074   2.1608  9.1479   2.4003  -7.4137  4.9620  31.775  4.9825 13.002  6.4453 18.77346       8.146628 
1 1 1 17 6  0  o 135.593 2.0395 144.254  4.3331  144.254  4.3331  144.254  4.3331  135.593 2.0395 135.593 2.0395 0.000000       0.000000 
1 1 1 17 6  1  o 56.827  1.8000 25.326   1.6036  25.105   2.2689  25.548   2.2667  56.562  2.5587 57.060  2.5341 -0.4975166     3.601194 
1 1 1 17 6  2  o 120.800 1.4870 114.424  2.8161  112.164  4.1100  116.424  3.8663  119.575 2.1925 121.832 2.0243 -2.257027      2.984118 
1 1 1 17 6  3  o 157.326 1.4771 194.081  3.6430  193.158  5.1205  195.027  5.1841  156.923 2.0815 157.680 2.0972 -0.7566071     2.954803 
1 1 1 17 6  4  o 135.376 1.4450 143.702  3.0667  148.323  4.4162  139.398  4.2618  137.511 2.0486 133.311 2.0393 4.200775       2.890582 
1 1 1 17 6  5  o 88.897  1.4897 61.967   2.0760  59.185   2.8857  64.950   2.9888  86.862  2.1192 90.995  2.0952 -4.132629      2.980073 
1 1 1 17 6  6  o 143.502 1.4477 161.472  3.2568  165.131  4.6955  158.080  4.5209  145.092 2.0644 141.962 2.0314 3.129517       2.896254 
1 1 1 17 6  7  o 93.920  1.5439 69.171   2.2732  69.122   3.0926  69.228   3.3527  93.871  2.1016 93.936  2.2767 -0.6563568E-01 3.098386 
1 1 1 17 6  8  f 109.219 1.4952 93.539   2.5601  91.572   3.7366  95.279   3.5145  108.040 2.2062 110.212 2.0341 -2.172012      3.000822 
1 1 1 17 6  9  o 123.735 1.6923 120.068  3.2826  110.897  4.2861  133.079  5.1051  118.890 2.2997 130.227 2.5006 -11.33772      3.397271 
1 1 1 17 6  10 o 180.014 1.8808 254.166  5.3076  253.956  7.4471  254.382  7.5664  179.884 2.6408 180.032 2.6809 -0.1473541     3.763155 
1 1 1 17 6  11 o 123.079 1.6365 118.797  3.1575  119.438  4.2389  117.999  4.7327  123.386 2.1915 122.627 2.4619 0.7594910      3.295968 
1 1 1 17 6  12 o 72.442  1.9243 41.163   2.1853  38.760   2.7268  45.478   3.6537  70.279  2.4750 76.104  3.0625 -5.824768      3.937567 
1 1 1 17 6  13 o 94.680  1.8384 70.311   2.7286  69.801   3.5645  71.033   4.2407  94.314  2.4108 95.122  2.8438 -0.8074036     3.728219 
1 1 1 17 6  14 o 180.743 1.9946 256.265  5.6515  256.282  7.4957  256.242  8.6032  180.695 2.6461 180.641 3.0380 0.5377197E-01  4.028825 
1 1 1 17 6  15 o 35.099  2.7120 9.7283   1.4807  7.9413   1.9775  12.008   2.2338  31.514  4.1000 38.912  3.7067 -7.397787      5.527173 
1 1 1 17 6  16 o 73.868  1.6913 42.796   1.9585  42.486   2.5347  43.255   3.0852  73.585  2.1973 74.231  2.6513 -0.6456375     3.443418 
1 1 1 17 6  17 o 224.805 1.8627 396.428  6.5646  392.118  8.3897  403.235  10.542  223.525 2.3942 226.596 2.9678 -3.070953      3.813132 
1 1 1 17 6  18 o 55.454  1.8779 24.123   1.6325  24.998   2.1672  22.976   2.4822  56.435  2.4496 54.008  2.9428 2.427460       3.828950 
1 1 1 17 6  19 o 134.768 1.4898 142.437  3.1476  140.059  4.1715  145.580  4.7963  133.611 1.9916 136.201 2.2463 -2.590759      3.002060 
1 1 1 17 6  20 o 22.317  3.7327 4.0226   1.2598  4.1093   1.6271  3.8929   1.9906  22.413  4.7770 21.807  5.7433 0.6058903      7.470302 
1 1 1 17 6  21 o 99.738  1.4419 78.015   2.2546  80.550   2.9591  74.506   3.4810  101.328 1.8628 97.430  2.2791 3.897614       2.943522 
1 1 1 17 6  22 o 97.341  1.5601 74.320   2.3807  72.489   2.8056  79.030   4.4996  96.121  1.8619 100.300 2.8617 -4.178940      3.414036 
1 1 1 17 6  23 o 190.085 1.5713 283.420  4.6822  284.076  6.1213  282.495  7.2689  190.258 2.0523 189.680 2.4445 0.5781250      3.191812 
1 1 1 17 6  24 o 70.642  1.5474 39.144   1.7136  37.593   2.2106  41.481   2.7125  69.209  2.0375 72.683  2.3806 -3.474136      3.133463 
1 1 1 17 6  25 o 51.910  1.6997 21.142   1.3832  21.217   1.8849  21.055   2.0361  51.981  2.3131 51.774  2.5086 0.2074356      3.412249 
1 1 1 17 6  26 o 71.024  1.4531 39.570   1.6179  38.237   2.1767  41.215   2.4184  69.795  1.9894 72.455  2.1291 -2.660355      2.913897 
1 1 1 17 6  27 o 17.940  4.0961 2.6397   1.1267  5.0922   1.5245  -0.3118  1.6724  25.105  4.0084 11.420  4.9762 13.68528       6.389782 
1 1 1 17 6  28 o 88.573  1.4161 61.543   1.9663  60.832   2.7424  62.294   2.8208  88.025  1.9873 89.074  2.0200 -1.049164      2.833731 
1 1 1 17 6  29 o 16.471  4.4447 2.2168   1.1742  1.5607   1.6660  2.8645   1.6553  15.243  5.4757 18.770  5.3598 -3.527202      7.662247 
1 1 1 17 6  30 o 67.210  1.5235 35.446   1.6052  36.882   2.2545  33.971   2.2861  68.524  2.0987 65.756  2.2177 2.767937       3.053376 
1 1 1 17 6  31 o 115.574 1.4243 104.808  2.5806  106.085  3.5127  103.311  3.8038  116.226 1.9279 114.675 2.1159 1.551476       2.862492 
1 1 1 17 6  32 o 92.653  1.4645 67.368   2.1272  70.453   2.8963  63.755   3.1345  94.708  1.9508 90.066  2.2200 4.641846       2.955335 
1 1 1 17 6  33 o 78.003  1.4557 47.752   1.7801  48.092   2.4441  47.367   2.5978  78.239  1.9928 77.633  2.1346 0.6058807      2.920169 
1 1 1 17 6  34 o 71.471  1.5392 40.098   1.7246  41.357   2.4983  38.953   2.3836  72.528  2.1973 70.392  2.1600 2.135399       3.081199 
1 1 1 17 6  35 o 121.870 1.3902 116.568  2.6559  116.491  3.7071  116.648  3.8070  121.755 1.9422 121.829 1.9933 -0.7369232E-01 2.783073 
1 1 1 17 6  36 o 68.030  1.5196 36.336   1.6207  36.580   2.2419  36.068   2.3455  68.208  2.0967 67.717  2.2095 0.4908524      3.045947 
1 1 1 17 6  37 o 39.216  2.0379 12.125   1.2486  10.864   1.7320  13.489   1.8016  36.983  3.0135 41.268  2.8013 -4.285107      4.114462 
1 1 1 17 6  38 o 85.212  1.4857 57.015   1.9846  54.124   2.8259  59.828   2.7879  82.941  2.1733 87.221  2.0389 -4.280502      2.980027 
1 1 1 17 6  39 o 54.073  1.7489 22.977   1.4825  20.520   2.0800  25.514   2.1135  50.954  2.6127 56.918  2.3687 -5.964218      3.526572 
1 1 1 17 6  40 o 46.099  1.9247 16.712   1.3909  16.139   1.9842  17.265   1.9503  45.132  2.8185 46.709  2.6746 -1.577805      3.885559 
1 1 1 17 6  41 o 44.512  1.9263 15.584   1.3442  16.579   1.9487  14.681   1.8566  45.752  2.7293 43.037  2.7665 2.715450       3.886179 
1 1 1 17 6  42 o 25.757  3.0736 5.3205   1.2165  5.0863   1.6942  5.5698   1.7479  24.863  4.5130 26.064  4.4369 -1.201176      6.328707 
1 1 1 17 6  43 o 67.897  1.6229 36.233   1.7274  38.087   2.4344  34.352   2.4514  69.529  2.2335 66.011  2.3689 3.517426       3.255766 
1 1 1 17 6  44 o 52.266  1.7959 21.486   1.4715  20.711   2.0802  22.262   2.0818  51.153  2.6027 53.115  2.5001 -1.962154      3.608958 
1 1 1 17 6  45 o 35.792  2.4898 10.159   1.3883  10.571   2.0671  9.8205   1.8738  36.270  3.6867 34.998  3.4606 1.271282       5.056449 
1 1 1 17 6  46 o 56.852  1.7324 25.423   1.5440  25.119   2.1370  25.756   2.2334  56.417  2.4163 57.115  2.4943 -0.6985664     3.472760 
1 1 1 17 6  47 o 93.947  1.5306 69.380   2.2543  70.682   3.1676  68.044   3.2089  94.696  2.1338 92.895  2.2035 1.801033       3.067293 
1 1 1 17 6  48 o 41.786  2.2215 13.812   1.4500  13.930   2.1624  13.715   1.9546  41.731  3.3332 41.478  3.0268 0.2524490      4.502399 
1 1 1 17 6  49 o 27.921  3.3079 6.2848   1.4197  5.3806   1.9570  7.2895   2.0628  25.335  5.1037 29.759  4.5676 -4.424120      6.849161 
1 1 1 17 6  50 o 38.595  2.5671 11.838   1.5444  12.439   2.1188  11.157   2.2558  39.349  3.4703 37.118  3.9367 2.230469       5.247952 
1 1 1 17 6  51 o 19.995  4.8611 3.3726   1.5089  5.4287   2.3145  1.8526   1.9900  25.162  5.9594 16.298  5.9654 8.863922       8.432155 
1 1 1 17 6  52 o 33.337  2.6258 8.8638   1.3612  9.0338   2.0826  8.7370   1.7985  33.264  4.0792 32.866  3.5469 0.3986778      5.405584 
1 1 1 17 6  53 o 74.674  1.6788 43.929   1.9653  44.666   2.9798  43.361   2.6145  75.059  2.5324 74.042  2.2524 1.017006       3.389189 
1 1 1 17 6  54 o 95.966  1.6135 72.549   2.4274  74.067   3.6912  71.391   3.2221  96.657  2.4361 95.008  2.1634 1.648331       3.257989 
1 1 1 17 6  55 o 39.344  2.4902 12.337   1.5280  14.587   2.6098  11.163   1.8849  42.279  3.9846 37.195  3.2656 5.083580       5.151817 
1 1 1 17 6  56 o 53.005  2.1133 22.243   1.7560  26.582   3.0595  20.111   2.1445  57.394  3.4158 50.161  2.7374 7.232658       4.377365 
1 1 1 17 6  57 o 45.600  2.3381 16.557   1.6658  17.151   2.9515  16.280   2.0179  45.655  4.1699 45.037  2.8731 0.6178894      5.063855 
1 1 1 17 6  58 o 8.7529  3.9895 -0.6774  1.2093  -2.1467  1.8034  0.5231   1.6301  9.3203  4.4446 12.419  5.1370 -3.098500      6.792867 
1 1 1 17 6  59 f 40.450  2.2772 13.055   1.4381  13.514   2.5168  12.833   1.7524  40.421  4.0253 39.916  2.8186 0.5050354      4.914058 
1 1 1 17 6  60 o 12.902  4.7028 1.2019   1.2349  2.0688   2.0889  0.7361   1.5311  16.473  6.0980 12.495  5.0502 3.977979       7.917675 
1 1 1 17 6  61 f 28.079  3.1294 6.4535   1.3541  7.4913   2.3812  5.9575   1.6462  29.169  5.4064 26.581  4.0811 2.588528       6.773788 
1 1 1 17 6  62 o 15.638  4.8415 2.1010   1.3086  -0.2516  2.1479  3.4897   1.6503  12.477  5.5300 19.789  5.2378 -7.311528      7.616753 
1 1 1 17 6  63 o 41.761  2.2753 13.977   1.4840  13.633   2.3189  14.215   1.9312  40.532  3.6898 41.800  2.9664 -1.268040      4.734335 
1 1 1 17 6  64 o 22.467  3.9059 4.2942   1.3258  6.2237   1.8924  2.4344   1.8579  26.741  4.6850 16.820  5.8036 9.920403       7.458616 
1 1 1 17 6  65 f 36.862  2.4905 10.969   1.4308  10.351   2.0896  11.513   1.9631  35.106  3.8607 37.319  3.3927 -2.212994      5.139559 
1 1 1 17 6  66 o 18.181  4.3407 2.8984   1.2201  6.0492   1.9949  1.0156   1.5421  26.060  5.0655 12.941  5.1225 13.11856       7.204090 
1 1 1 17 6  67 o 16.108  4.4093 2.2842   1.1460  0.6166   1.9511  3.1625   1.4160  13.100  5.5327 18.802  4.7903 -5.702552      7.318283 
1 1 1 17 6  68 o 19.880  4.3084 3.4737   1.3039  6.6893   2.0391  1.2493   1.6960  27.399  4.9287 13.692  5.3871 13.70668       7.301580 
1 1 1 17 6  69 o 29.531  2.9908 7.2050   1.3655  8.0076   2.0878  6.6052   1.8050  30.197  4.5517 27.523  4.3260 2.673687       6.279572 
1 1 1 17 6  70 o 20.015  4.8936 3.6681   1.5226  5.7586   2.4120  2.2831   1.9633  24.174  6.3005 16.144  5.9228 8.030083       8.647320 
1 1 1 17 6  71 o 10.542  4.7299 -0.2894  1.6223  -1.9074  2.2552  1.4458   2.3354  10.559  5.0168 14.839  6.1442 -4.280257      7.932212 
1 1 1 17 7  0  o 46.788  3.9039 17.537   2.8176  17.537   2.8176  17.537   2.8176  46.788  3.9039 46.788  3.9039 0.000000       0.000000 
1 1 1 17 7  1  o 96.022  1.8651 72.321   2.8075  76.923   3.6189  65.366   4.4495  99.010  2.3315 91.230  3.1111 7.779228       3.887833 
1 1 1 17 7  2  o 10.091  4.5987 -1.0427  1.6058  0.9639   1.9633  -5.0984  2.7911  14.717  5.7942 10.617  5.1753 4.100231       7.768937 
1 1 1 17 7  3  o 63.090  2.1122 31.228   2.0891  30.542   2.6126  32.443   3.4788  62.376  2.6717 64.164  3.4714 -1.787392      4.380513 
1 1 1 17 7  4  o 204.674 2.1488 328.669  6.8945  329.399  9.0477  327.659  10.647  204.831 2.8176 204.225 3.3256 0.6068420      4.358721 
1 1 1 17 7  5  o 20.256  5.6266 3.3318   1.8505  2.5960   2.1435  5.4850   3.6669  18.674  6.2370 26.285  8.0988 -7.611631      10.22204 
1 1 1 17 7  6  o 131.558 2.2342 135.803  4.6079  135.005  5.1226  139.185  10.547  131.154 2.4915 132.901 5.0621 -1.746246      5.642005 
1 1 1 17 7  7  o 12.888  5.1483 0.6419   1.5710  2.9591   2.2681  -1.4951  2.1781  19.693  6.4082 11.647  5.3262 8.046267       8.332711 
1 1 1 17 7  8  o 110.097 1.6699 95.068   2.8821  95.046   3.8678  95.094   4.3217  110.058 2.2418 110.071 2.5045 -0.1300812E-01 3.361271 
1 1 1 17 7  9  o 49.687  2.3166 19.374   1.8044  19.604   2.5207  19.132   2.5841  49.848  3.2433 49.229  3.3686 0.6190109      4.676224 
1 1 1 17 7  10 o 127.279 1.6423 127.057  3.2768  132.564  4.5090  120.893  4.7703  129.976 2.2129 124.107 2.4518 5.868637       3.302803 
1 1 1 17 7  11 o 151.529 1.4783 180.066  3.5117  179.496  4.5714  180.887  5.4851  151.263 1.9278 151.820 2.3047 -0.5573120     3.004638 
1 1 1 17 7  12 o 54.958  1.7746 23.692   1.5289  25.833   2.0734  21.141   2.2635  57.373  2.3053 51.812  2.7971 5.561172       3.624671 
1 1 1 17 7  13 o 118.016 1.3684 109.219  2.5317  113.819  3.5163  104.268  3.6481  120.452 1.8622 115.279 2.0187 5.173248       2.746398 
1 1 1 17 7  14 f 24.391  3.3394 4.7626   1.2434  4.7401   1.6976  4.7886   1.8262  24.123  4.6575 24.205  4.9790 -0.8159065E-01 6.817835 
1 1 1 17 7  15 o 21.994  3.6526 3.9057   1.2152  3.2818   1.6504  4.6445   1.7960  20.024  5.2083 23.829  4.9688 -3.805410      7.198294 
1 1 1 17 7  16 o 224.266 1.7167 394.541  6.0356  399.675  8.6250  389.615  8.4490  225.631 2.4384 222.776 2.4193 2.855103       3.434919 
1 1 1 17 7  17 o 16.621  4.4126 2.2538   1.1690  2.9525   1.5796  1.4080   1.7381  19.028  5.1637 15.075  5.5660 3.952509       7.592383 
1 1 1 17 7  18 o 123.196 1.3589 119.027  2.6244  114.769  3.4936  124.543  3.9759  120.945 1.8426 125.978 2.0132 -5.032944      2.729134 
1 1 1 17 7  19 o 190.314 1.5148 284.097  4.5194  279.828  6.0762  289.382  6.7613  188.824 2.0527 191.996 2.2464 -3.171967      3.042995 
1 1 1 17 7  20 f 94.791  1.4242 70.476   2.1163  72.020   2.9801  68.904   3.0060  95.795  1.9844 93.696  2.0465 2.098625       2.850644 
1 1 1 17 7  21 o 134.873 1.4240 142.683  3.0108  145.766  4.2649  139.620  4.2510  136.277 1.9963 133.370 2.0332 2.907288       2.849431 
1 1 1 17 7  22 o 111.805 1.4120 98.052   2.4749  103.798  3.5558  92.653   3.4468  114.994 1.9725 108.642 2.0238 6.352699       2.826034 
1 1 1 17 7  23 o 52.634  1.7732 21.741   1.4631  21.615   2.0467  21.872   2.0923  52.451  2.4891 52.760  2.5297 -0.3082962     3.548959 
1 1 1 17 7  24 o 35.978  2.2964 10.209   1.2884  8.9989   1.7598  11.607   1.8917  33.637  3.3830 38.272  3.1817 -4.635014      4.644145 
1 1 1 17 7  25 o 45.055  2.0227 15.940   1.4286  17.644   1.9345  13.894   2.1189  47.303  2.6189 41.881  3.2528 5.421253       4.176074 
1 1 1 17 7  26 o 67.256  1.5518 35.495   1.6361  33.504   2.2545  37.710   2.3781  65.305  2.2022 69.284  2.1895 -3.978569      3.105360 
1 1 1 17 7  27 o 45.123  1.9039 15.988   1.3468  15.737   1.8970  16.244   1.9124  44.642  2.7237 45.362  2.7015 -0.7193794     3.836213 
1 1 1 17 7  28 o 29.100  2.7380 6.7223   1.2344  7.0527   1.7251  6.3757   1.7669  29.647  3.7993 28.102  4.1344 1.544792       5.615002 
1 1 1 17 7  29 o 64.134  1.6226 32.288   1.6313  31.819   2.3656  32.714   2.2526  63.612  2.3722 64.513  2.2274 -0.9005814     3.254000 
1 1 1 17 7  30 f 34.262  2.3206 9.2731   1.2391  10.160   1.8043  8.4813   1.7046  35.744  3.2556 32.610  3.3837 3.133705       4.695534 
1 1 1 17 7  31 o 95.567  1.4535 71.684   2.1776  71.956   2.9790  71.373   3.1912  95.692  1.9858 95.284  2.1364 0.4073334      2.916781 
1 1 1 17 7  32 o 38.487  2.2293 11.688   1.3393  12.247   1.8004  10.996   2.0039  39.304  2.9433 37.143  3.4822 2.161522       4.559466 
1 1 1 17 7  33 o 86.469  1.4870 58.699   2.0157  58.619   2.7068  58.799   3.0201  86.354  1.9995 86.457  2.2283 -0.1024551     2.993889 
1 1 1 17 7  34 o 23.101  3.2763 4.2987   1.1532  2.2625   1.5936  6.5376   1.6710  16.918  5.3585 28.473  3.8417 -11.55528      6.593354 
1 1 1 17 7  35 o 42.671  1.9780 14.317   1.3231  14.812   1.7119  13.582   2.0852  43.287  2.5338 41.329  3.2445 1.957642       4.116659 
1 1 1 17 7  36 o 74.535  1.4853 43.627   1.7355  43.814   2.2526  43.353   2.7223  74.648  1.9249 74.199  2.3404 0.4493790      3.030257 
1 1 1 17 7  37 o 48.991  1.7895 18.866   1.3743  18.557   1.7964  19.303   2.1342  48.536  2.3609 49.381  2.7680 -0.8448372     3.638115 
1 1 1 17 7  38 o 55.228  1.6604 23.970   1.4376  24.492   1.8878  23.248   2.2179  55.778  2.1590 54.289  2.6060 1.488827       3.384131 
1 1 1 17 7  39 o 29.019  2.6278 6.6982   1.1825  5.6121   1.5435  8.2415   1.8398  26.301  3.8581 32.000  3.7379 -5.698990      5.371804 
1 1 1 17 7  40 o 14.201  4.3680 1.6136   1.0672  2.6280   1.4127  0.2653   1.6287  17.813  4.9037 12.183  5.0948 5.630478       7.071321 
1 1 1 17 7  41 o 74.618  1.5271 43.751   1.7863  43.465   2.3811  44.119   2.7015  74.301  2.0443 74.813  2.3034 -0.5119400     3.079733 
1 1 1 17 7  42 o 23.266  3.2249 4.3707   1.1446  4.9890   1.5631  3.6560   1.6807  24.666  4.1924 20.887  5.1624 3.778841       6.650309 
1 1 1 17 7  43 o 68.780  1.5653 37.186   1.6877  38.079   2.2619  36.065   2.5350  69.526  2.0752 67.608  2.3918 1.918465       3.166608 
1 1 1 17 7  44 o 32.933  2.3777 8.6031   1.2193  10.752   1.6677  6.1354   1.7872  36.735  2.9200 27.364  4.3088 9.371796       5.205034 
1 1 1 17 7  45 o 32.245  2.5966 8.2711   1.3015  9.9423   1.8013  6.4459   1.8825  35.225  3.3004 28.014  4.4342 7.211315       5.527631 
1 1 1 17 7  46 o 32.187  2.4287 8.2297   1.2165  9.2381   1.6214  6.9312   1.8399  33.983  3.0769 29.135  4.1451 4.847969       5.162261 
1 1 1 17 7  47 o 104.439 1.6338 85.818   2.6750  87.030   3.5657  84.257   4.0456  105.026 2.1657 103.227 2.5000 1.798912       3.307588 
1 1 1 17 7  48 o 68.244  1.6644 36.655   1.7806  40.127   2.5819  33.506   2.4590  71.267  2.3110 65.100  2.4095 6.166740       3.338602 
1 1 1 17 7  49 f 53.009  1.8944 22.151   1.5743  21.681   2.1930  22.650   2.2613  52.229  2.6875 53.379  2.7112 -1.150269      3.817528 
1 1 1 17 7  50 o 53.417  1.8483 22.495   1.5478  23.791   2.1674  21.147   2.2111  54.799  2.5230 51.543  2.7463 3.255108       3.729333 
1 1 1 17 7  51 o 54.949  1.8066 23.807   1.5562  24.981   2.2107  22.654   2.1910  56.134  2.5122 53.430  2.6158 2.704536       3.626789 
1 1 1 17 7  52 o 32.918  2.7489 8.6755   1.4056  10.909   2.1828  7.0934   1.8372  36.593  3.8634 29.350  4.1053 7.243151       5.637264 
1 1 1 17 7  53 o 30.147  3.0083 7.3260   1.4027  9.0795   1.9145  5.2934   2.0612  33.365  3.7236 24.797  5.4508 8.567995       6.601267 
1 1 1 17 7  54 o 10.294  4.4488 -0.0573  1.3147  4.3322   1.7908  -5.1890  1.9363  22.426  5.1956 7.6520  3.8298 14.77426       6.454595 
1 1 1 17 7  55 o 40.978  2.1488 13.345   1.3756  13.935   2.1543  12.939   1.7873  41.481  3.3412 40.137  2.8593 1.343895       4.397665 
1 1 1 17 7  56 o 18.370  4.4280 2.8853   1.2602  2.3617   1.8918  3.3029   1.6897  17.039  5.8577 19.474  5.3639 -2.434481      7.942566 
1 1 1 17 7  57 o 61.580  1.7453 29.983   1.6849  30.401   2.4269  29.593   2.3410  61.726  2.5080 60.924  2.4511 0.8020744      3.506872 
1 1 1 17 7  58 f 32.526  2.8783 8.5661   1.4525  7.1465   2.1421  9.7742   1.9761  28.818  4.9182 34.407  3.7231 -5.588863      6.168485 
1 1 1 17 7  59 o 46.108  2.2811 16.954   1.6488  18.035   2.4167  16.012   2.2553  47.017  3.2997 44.304  3.2704 2.712635       4.645755 
1 1 1 17 7  60 o 39.860  2.2996 12.729   1.4309  14.221   2.0450  11.298   2.0028  41.755  3.1473 37.025  3.4918 4.729927       4.700853 
1 1 1 17 7  61 o 41.110  2.5225 13.613   1.6178  11.319   2.2272  16.176   2.3539  36.771  3.9242 44.347  3.4120 -7.576122      5.200170 
1 1 1 17 7  62 o 66.533  1.8513 35.171   1.9309  37.627   2.9280  33.281   2.5685  68.275  2.7356 64.334  2.5467 3.940407       3.737599 
1 1 1 17 7  63 o 18.271  4.6264 2.9514   1.3265  1.1789   1.9184  4.5753   1.8362  14.104  5.6695 22.500  5.2941 -8.396046      7.756987 
1 1 1 17 7  64 f 11.841  4.5676 0.9011   1.2001  1.2371   1.8074  0.6360   1.6050  13.965  5.5400 12.299  5.0930 1.666539       7.525328 
1 1 1 17 7  65 o 17.911  4.3649 2.8254   1.2144  4.0987   1.8793  1.9126   1.5912  21.052  5.5976 15.151  5.3609 5.901279       7.750632 
1 1 1 17 7  66 o 26.600  2.9940 5.8409   1.2268  5.9756   1.8140  5.7273   1.6654  26.067  4.6076 25.692  4.2859 0.3748322      6.292773 
1 1 1 17 7  67 f 29.442  2.6998 7.0915   1.2322  7.5640   1.8309  6.7002   1.6660  29.684  4.0393 27.995  3.9023 1.689901       5.616403 
1 1 1 17 7  68 o 38.643  2.4400 12.118   1.4705  10.504   1.9358  14.320   2.2613  35.307  3.5452 41.278  3.5284 -5.971664      5.001828 
1 1 1 17 7  69 o 7.6004  3.6867 -2.0066  1.3700  -0.9777  2.0712  -2.8068  1.8267  11.001  5.0895 8.5508  4.1722 2.450567       6.581069 
1 1 1 17 7  70 f 22.857  4.3071 4.6740   1.4867  5.5615   2.2264  3.9597   1.9973  23.682  5.9922 19.965  5.9413 3.716349       8.438274 
1 1 1 17 8  0  o 66.788  2.9329 35.199   3.0573  35.199   3.0573  35.199   3.0573  66.788  2.9329 66.788  2.9329 0.000000       0.000000 
1 1 1 17 8  1  o 202.323 1.8822 321.151  5.9698  332.580  8.2230  308.414  8.6807  205.814 2.5486 198.162 2.7943 7.651871       3.782011 
1 1 1 17 8  2  o 157.102 1.8150 193.622  4.4700  192.207  5.6434  196.004  7.3226  156.487 2.3004 157.955 2.9572 -1.468033      3.746592 
1 1 1 17 8  3  o 196.678 1.9675 303.508  6.0664  317.548  8.7856  290.714  8.3865  201.075 2.7872 192.392 2.7806 8.682312       3.937013 
1 1 1 17 8  4  o 68.430  1.8071 36.735   1.9386  35.294   2.4707  39.045   3.1271  67.054  2.3504 70.505  2.8292 -3.450539      3.678141 
1 1 1 17 8  5  o 185.115 1.8247 268.835  5.2953  261.416  6.9943  278.799  8.1055  182.479 2.4450 188.410 2.7442 -5.930984      3.675425 
1 1 1 17 8  6  o 86.002  1.9056 58.031   2.5692  57.888   3.7059  58.163   3.5649  85.851  2.7535 86.061  2.6423 -0.2099915     3.816269 
1 1 1 17 8  7  o 131.919 1.8914 136.540  3.9115  137.334  6.1050  135.986  5.0945  132.211 2.9455 131.607 2.4693 0.6044769      3.843642 
1 1 1 17 8  8  o 63.250  1.8752 31.388   1.8594  26.291   2.9454  34.766   2.3975  57.738  3.2674 66.550  2.2981 -8.811394      3.994672 
1 1 1 17 8  9  o 66.967  1.8519 35.185   1.9441  35.552   3.1492  34.959   2.4713  67.263  2.9866 66.731  2.3623 0.5322189      3.807903 
1 1 1 17 8  10 o 140.722 1.6107 155.336  3.5533  157.090  5.7074  154.226  4.5406  141.432 2.5742 140.184 2.0661 1.247620       3.300788 
1 1 1 17 8  11 o 99.459  1.7055 77.605   2.6591  76.217   4.0266  78.678   3.5412  98.510  2.6074 100.113 2.2563 -1.603149      3.448114 
1 1 1 17 8  12 o 110.373 1.5890 95.562   2.7494  102.759  4.5624  91.458   3.4453  114.385 2.5443 107.950 2.0358 6.434692       3.258539 
1 1 1 17 8  13 o 169.285 1.6842 224.827  4.4694  223.762  7.0630  225.539  5.7721  168.769 2.6696 169.502 2.1722 -0.7331696     3.441687 
1 1 1 17 8  14 o 218.763 1.7729 375.507  6.0802  377.799  9.0418  373.615  8.2149  219.294 2.6301 218.118 2.4025 1.176788       3.562203 
1 1 1 17 8  15 o 138.473 1.5166 150.417  3.2923  152.634  4.8782  148.562  4.4615  139.426 2.2318 137.570 2.0687 1.855881       3.043158 
1 1 1 17 8  16 o 81.060  1.5596 51.548   1.9819  52.595   2.9667  50.705   2.6635  81.836  2.3124 80.365  2.1141 1.471390       3.133193 
1 1 1 17 8  17 o 85.929  1.5430 57.928   2.0786  60.431   3.0983  55.880   2.8030  87.722  2.2530 84.363  2.1194 3.358803       3.093194 
1 1 1 17 8  18 o 10.882  4.4894 0.2692   1.2404  -0.3426  1.8466  0.7721   1.6743  11.995  5.2276 13.456  5.3339 -1.460699      7.468476 
1 1 1 17 8  19 o 168.879 1.5878 223.781  4.2036  221.236  6.1684  225.989  5.7439  167.813 2.3447 169.635 2.1599 -1.821884      3.187927 
1 1 1 17 8  20 o 105.789 1.5096 87.807   2.5036  88.922   3.7563  86.917   3.3582  106.394 2.2521 105.208 2.0361 1.185547       3.036108 
1 1 1 17 8  21 o 108.138 1.4881 91.753   2.5227  95.460   3.7837  88.787   3.3848  110.236 2.1895 106.329 2.0306 3.906593       2.986168 
1 1 1 17 8  22 o 8.9509  3.9982 -0.4836  1.1454  -2.4075  1.6813  1.1827   1.5647  8.8104  4.2257 14.063  5.2634 -5.252221      6.749814 
1 1 1 17 8  23 o 70.919  1.5394 39.471   1.7115  38.861   2.3996  40.102   2.4418  70.327  2.1765 71.440  2.1803 -1.113487      3.080705 
1 1 1 17 8  24 o 73.651  1.5226 42.572   1.7580  41.339   2.4705  43.837   2.5024  72.530  2.1727 74.692  2.1371 -2.161713      3.047605 
1 1 1 17 8  25 o 43.291  2.0220 14.724   1.3723  13.837   1.6992  16.388   2.3269  41.854  2.6026 45.469  3.2865 -3.614697      4.192210 
1 1 1 17 8  26 o 44.878  1.9136 15.821   1.3463  15.409   1.7514  16.417   2.1049  44.179  2.5394 45.550  2.9639 -1.370892      3.903000 
1 1 1 17 8  27 o 32.290  2.4030 8.2473   1.2077  7.0159   1.5598  10.090   1.9083  29.615  3.4228 35.579  3.4653 -5.963778      4.870711 
1 1 1 17 8  28 o 78.695  1.5533 48.621   1.9163  48.820   2.6021  48.384   2.8328  78.803  2.1063 78.427  2.3041 0.3757095      3.121747 
1 1 1 17 8  29 o 71.779  1.5511 40.454   1.7454  39.844   2.3558  41.197   2.5988  71.184  2.1110 72.362  2.2909 -1.178108      3.115264 
1 1 1 17 8  30 o 67.003  1.5458 35.253   1.6237  37.010   2.1812  33.068   2.4317  68.609  2.0280 64.814  2.3933 3.795052       3.136958 
1 1 1 17 8  31 o 43.520  1.9396 14.889   1.3233  14.994   1.7385  14.746   2.0403  43.551  2.5577 43.113  3.0382 0.4376907      3.971403 
1 1 1 17 8  32 o 38.456  2.2363 11.678   1.3424  12.740   1.6783  9.7942   2.2364  40.108  2.6847 34.862  4.1752 5.246178       4.963845 
1 1 1 17 8  33 o 98.110  1.4646 75.588   2.2526  75.578   2.8464  75.606   3.6848  98.049  1.8518 97.970  2.3992 0.7939911E-01  3.030743 
1 1 1 17 8  34 o 37.628  2.2634 11.189   1.3289  8.3720   1.7261  15.290   2.0824  32.329  3.4595 43.880  3.0461 -11.55047      4.609429 
1 1 1 17 8  35 o 15.358  4.4415 1.9242   1.1300  1.5268   1.4420  2.5567   1.8191  14.580  5.1083 17.929  5.7300 -3.348663      7.676390 
1 1 1 17 8  36 o 39.195  2.0986 12.128   1.2848  10.389   1.6771  14.598   1.9988  36.127  2.9881 42.865  2.9933 -6.737637      4.229541 
1 1 1 17 8  37 o 109.099 1.4187 93.490   2.4264  92.058   3.1444  95.597   3.8147  108.181 1.8541 110.159 2.2089 -1.978394      2.883943 
1 1 1 17 8  38 o 20.598  3.6126 3.4673   1.1240  4.1282   1.5203  2.6702   1.6694  22.328  4.4988 18.067  5.4444 4.261127       7.062580 
1 1 1 17 8  39 o 28.735  2.6357 6.5758   1.1740  7.5375   1.5591  5.3163   1.7843  30.654  3.2962 25.364  4.6591 5.290424       5.707204 
1 1 1 17 8  40 o 49.434  1.8143 19.228   1.4060  21.039   1.8405  16.689   2.1788  51.654  2.2728 45.797  3.0523 5.857014       3.805594 
1 1 1 17 8  41 o 22.662  3.2824 4.1591   1.1322  2.5833   1.4496  6.6242   1.8130  17.650  5.0072 28.488  4.1844 -10.83759      6.525463 
1 1 1 17 8  42 o 21.896  3.6730 3.9204   1.2162  2.9744   1.5070  5.6869   2.0594  18.851  5.0128 26.065  5.2219 -7.214607      7.238509 
1 1 1 17 8  43 o 38.253  2.1649 11.577   1.2929  11.651   1.7006  11.474   1.9904  38.246  2.8569 37.830  3.3922 0.4159050      4.434984 
1 1 1 17 8  44 o 77.593  1.5691 47.352   1.9086  44.161   2.5524  51.401   2.8746  74.815  2.1762 80.691  2.2724 -5.876465      3.146427 
1 1 1 17 8  45 o 61.190  1.7169 29.475   1.6470  28.185   2.2011  31.115   2.4827  59.725  2.3508 62.714  2.5252 -2.989372      3.450096 
1 1 1 17 8  46 o 29.769  2.8592 7.0959   1.3179  7.6244   1.6814  6.2537   2.1222  30.697  3.5601 27.293  5.1488 3.403061       6.259722 
1 1 1 17 8  47 o 41.727  2.1266 13.783   1.3865  15.550   1.8887  11.719   2.0417  44.188  2.7401 38.150  3.4511 6.037361       4.406607 
1 1 1 17 8  48 o 49.226  2.0718 19.136   1.5989  19.692   2.3688  18.671   2.1669  49.630  3.0596 48.378  2.8700 1.251102       4.194952 
1 1 1 17 8  49 o 18.790  4.4707 2.9796   1.2978  3.0983   1.9068  2.8772   1.7714  19.154  5.8291 18.497  5.6158 0.6566734      8.094149 
1 1 1 17 8  50 o 19.380  4.4077 3.1712   1.3089  4.4020   1.8499  1.9373   1.8522  22.650  5.3031 16.137  5.7760 6.513186       7.841279 
1 1 1 17 8  51 o 12.837  4.7335 1.1139   1.2562  1.0813   1.7055  1.1526   1.8573  13.861  5.4174 14.372  5.6429 -0.5116768     7.822458 
1 1 1 17 8  52 o 23.385  3.8507 4.5362   1.3625  5.0373   1.7888  3.8437   2.1028  24.321  4.8616 20.976  6.0566 3.345503       7.766468 
1 1 1 17 8  53 o 32.755  2.7946 8.6308   1.4213  9.1954   1.9034  7.9193   2.1368  33.511  3.6839 30.716  4.5773 2.794842       5.875631 
1 1 1 17 8  54 o 33.133  2.6546 8.8196   1.3673  9.0989   1.9545  8.5519   1.9134  33.236  3.8207 32.191  3.8690 1.045639       5.437581 
1 1 1 17 8  55 o 11.783  4.6324 0.7540   1.2532  3.0037   1.8474  -1.1635  1.7056  18.579  5.7525 10.009  4.6264 8.569037       7.382090 
1 1 1 17 8  56 o 29.915  3.1296 7.3002   1.4460  6.9138   2.1236  7.6341   1.9744  28.302  4.9677 30.098  4.3074 -1.795982      6.575068 
1 1 1 17 8  57 o 25.870  3.4981 5.5473   1.3823  6.7560   1.9844  4.4078   1.9266  28.046  4.6782 22.181  5.5532 5.864784       7.261114 
1 1 1 17 8  58 o 51.059  1.9181 20.707   1.5353  20.980   2.2924  20.484   2.0676  50.903  2.8845 50.434  2.6242 0.4687691      3.899601 
1 1 1 17 8  59 f 8.8534  3.9854 -0.4398  1.1623  -1.0104  1.6840  0.0794   1.6062  10.015  4.6178 11.355  4.9122 -1.339650      6.741981 
1 1 1 17 8  60 o 13.956  4.9169 1.5581   1.3372  4.0081   2.2290  0.1807   1.6713  20.710  6.3022 11.695  5.0351 9.014615       8.066613 
1 1 1 17 8  61 o 44.231  2.3160 15.721   1.6003  15.864   2.6369  15.638   2.0135  43.466  3.9117 43.782  2.9508 -0.3162842     4.899871 
1 1 1 17 8  62 f 25.182  3.3884 5.2972   1.3037  3.6821   1.9252  6.6652   1.7718  19.921  5.8077 27.878  4.1831 -7.957539      7.157336 
1 1 1 17 8  63 o 18.412  4.4455 2.9963   1.2686  3.8707   1.8701  2.2509   1.7266  20.424  5.6502 16.127  5.5931 4.296535       7.950315 
1 1 1 17 8  64 o 17.376  4.6155 2.6950   1.2785  1.2635   1.8428  4.0235   1.7752  14.000  5.5812 20.893  5.3859 -6.892559      7.756158 
1 1 1 17 8  65 o 19.241  4.5248 3.3039   1.3419  6.0295   2.0157  1.1345   1.7984  25.758  5.1716 13.607  5.4824 12.15104       7.536736 
1 1 1 17 8  66 o 25.169  3.7316 5.4164   1.4278  4.4365   1.9929  6.4497   2.0465  21.562  5.7785 26.630  5.0878 -5.068012      7.699089 
1 1 1 17 8  67 o 11.458  4.8792 0.3946   1.5384  0.0994   2.2139  0.6702   2.1392  12.689  5.6195 13.340  5.7189 -0.6515493     8.017753 
1 1 1 17 8  68 o 24.757  4.4046 5.4815   1.6468  5.5565   2.3705  5.4115   2.2895  23.444  6.3104 23.241  6.1779 0.2036629      8.831027 
1 1 1 17 8  69 o 12.221  4.9709 0.9149   1.4940  0.5253   2.0397  1.3659   2.1944  12.688  5.5123 14.286  5.9389 -1.598181      8.102830 
1 1 1 17 9  0  o 120.236 2.0217 113.480  3.8083  113.480  3.8083  113.480  3.8083  120.236 2.0217 120.236 2.0217 0.000000       0.000000 
1 1 1 17 9  1  o 67.348  1.6049 35.585   1.6945  37.499   2.4048  33.697   2.3879  69.108  2.2197 65.505  2.3254 3.602890       3.214738 
1 1 1 17 9  2  o 37.749  2.4100 11.237   1.4187  11.956   1.9237  10.380   2.1007  38.858  3.1859 36.109  3.7666 2.749424       4.933292 
1 1 1 17 9  3  o 192.037 1.6647 289.344  5.0117  284.401  6.6846  295.690  7.5735  190.315 2.2405 194.016 2.4900 -3.700760      3.349663 
1 1 1 17 9  4  o 162.270 1.5652 206.574  3.9816  207.160  5.4015  205.878  5.8922  162.441 2.1211 161.912 2.3214 0.5289612      3.144509 
1 1 1 17 9  5  o 200.751 1.7762 316.250  5.5899  314.328  7.1924  319.183  8.8833  200.065 2.2932 201.509 2.8121 -1.444046      3.628573 
1 1 1 17 9  6  o 25.292  3.6128 5.1382   1.3917  6.4493   2.0040  3.9169   1.9342  28.203  4.6980 21.821  5.6200 6.381884       7.325021 
1 1 1 17 9  7  o 32.477  2.6964 8.3464   1.3604  7.6753   1.8319  9.1715   2.0313  30.972  3.8565 33.893  3.8938 -2.920694      5.480408 
1 1 1 17 9  8  o 46.754  2.1402 17.164   1.5687  19.518   2.3020  15.123   2.1433  49.730  2.9663 43.730  3.1475 5.999901       4.324971 
1 1 1 17 9  9  o 147.965 1.5223 171.764  3.5312  175.880  4.8531  167.132  5.1478  149.671 2.0684 145.879 2.2510 3.791748       3.056970 
1 1 1 17 9  10 o 89.944  1.5325 63.470   2.1609  64.595   2.9196  62.108   3.2135  90.703  2.0533 88.921  2.3052 1.782745       3.087077 
1 1 1 17 9  11 o 159.984 1.7116 200.860  4.2927  193.142  5.1307  218.870  7.8373  156.834 2.0868 166.797 2.9973 -9.962326      3.652176 
1 1 1 17 9  12 o 55.387  1.9564 24.085   1.6987  24.516   2.2380  23.499   2.6093  55.849  2.5561 54.560  3.0631 1.288914       3.989504 
1 1 1 17 9  13 o 167.533 1.8352 220.322  4.8198  223.173  6.1440  215.760  7.7717  168.538 2.3254 165.588 2.9939 2.950348       3.790896 
1 1 1 17 9  14 o 109.272 1.7376 93.721   2.9766  97.681   3.8110  87.525   4.7667  111.514 2.1800 105.473 2.8829 6.040901       3.614318 
1 1 1 17 9  15 o 87.608  1.7312 60.244   2.3776  59.743   3.0052  61.083   3.8873  87.205  2.1983 88.114  2.8142 -0.9088974     3.570979 
1 1 1 17 9  16 o 28.676  3.4208 6.5727   1.5074  4.3803   1.8461  10.959   2.6113  23.038  5.2309 36.923  4.6119 -13.88510      6.973682 
1 1 1 17 9  17 o 73.354  1.8396 42.249   2.1154  45.562   2.6838  36.814   3.4373  76.144  2.2484 68.353  3.2078 7.790237       3.917285 
1 1 1 17 9  18 o 59.194  1.9259 27.519   1.7872  28.787   2.3545  25.795   2.7452  60.503  2.4824 57.142  3.0759 3.360996       3.952625 
1 1 1 17 9  19 o 55.297  2.1254 24.028   1.8424  22.013   2.5791  26.127   2.6329  52.760  3.1323 57.524  2.9293 -4.764553      4.288603 
1 1 1 17 9  20 o 39.944  2.5234 12.602   1.5720  12.659   2.2534  12.548   2.1942  39.871  3.6454 39.709  3.5626 0.1623688      5.097195 
1 1 1 17 9  21 o 115.248 1.6290 104.276  2.9430  110.431  4.0945  97.698   4.2332  118.521 2.2037 111.445 2.4230 7.076401       3.275235 
1 1 1 17 9  22 o 103.599 1.5590 84.256   2.5319  84.572   3.5839  83.942   3.5773  103.713 2.2043 103.325 2.2085 0.3874817      3.120344 
1 1 1 17 9  23 o 45.546  2.1194 16.309   1.5133  18.307   2.2141  14.557   2.0731  48.100  2.9505 42.847  3.1075 5.252716       4.285141 
1 1 1 17 9  24 o 102.022 1.5485 81.721   2.4766  81.561   3.5315  81.875   3.4742  101.834 2.2121 102.036 2.1719 -0.2019348     3.100147 
1 1 1 17 9  25 o 51.065  1.8373 20.490   1.4708  20.030   2.0231  21.005   2.1419  50.364  2.5709 51.567  2.6587 -1.202179      3.698420 
1 1 1 17 9  26 o 86.232  1.5311 58.389   2.0698  57.507   2.8182  59.423   3.0499  85.510  2.1023 86.904  2.2387 -1.393265      3.071089 
1 1 1 17 9  27 o 53.671  1.8232 22.639   1.5340  23.414   2.1155  21.778   2.2278  54.523  2.4750 52.488  2.7167 2.034431       3.675107 
1 1 1 17 9  28 o 31.763  2.4607 7.9946   1.2157  9.8823   1.6707  5.8705   1.7722  35.242  3.0543 26.827  4.3640 8.414743       5.326636 
1 1 1 17 9  29 o 44.456  2.0425 15.547   1.4235  13.964   1.8851  17.648   2.1713  41.960  2.8832 47.182  2.9504 -5.222183      4.125231 
1 1 1 17 9  30 o 69.734  1.5356 38.197   1.6787  39.423   2.2231  36.572   2.5605  70.791  2.0032 68.130  2.3973 2.660789       3.124124 
1 1 1 17 9  31 o 59.043  1.6646 27.396   1.5408  24.802   1.9860  31.318   2.4420  56.117  2.2575 63.028  2.4715 -6.911228      3.347320 
1 1 1 17 9  32 o 91.647  1.5098 65.983   2.1692  65.405   2.7104  67.012   3.6178  91.186  1.8960 92.180  2.5035 -0.9930954     3.140490 
1 1 1 17 9  33 o 26.429  3.1280 5.6043   1.2708  6.0875   1.7136  5.0137   1.8944  27.342  4.1262 24.540  5.0912 2.802254       6.553326 
1 1 1 17 9  34 o 42.541  2.1162 14.253   1.4113  15.364   1.9486  13.027   2.0467  43.995  2.8404 40.413  3.2583 3.582592       4.322516 
1 1 1 17 9  35 o 24.036  3.3960 4.6731   1.2440  5.4017   1.7113  3.8567   1.8115  25.635  4.4178 21.431  5.3956 4.204203       6.973461 
1 1 1 17 9  36 o 16.077  4.5115 2.1320   1.1834  4.0438   1.6760  0.2311   1.6712  21.987  4.9784 12.240  5.1424 9.746562       7.157398 
1 1 1 17 9  37 o 89.942  1.5439 63.589   2.1768  67.275   3.0321  59.667   3.1272  92.404  2.0931 86.977  2.2935 5.426849       3.105031 
1 1 1 17 9  38 o 93.574  1.5242 68.829   2.2359  68.223   3.0291  69.555   3.3140  93.047  2.0766 93.908  2.2511 -0.8605118     3.062665 
1 1 1 17 9  39 o 45.357  2.0345 16.211   1.4466  16.477   1.9682  15.899   2.1334  45.544  2.7699 44.668  3.0651 0.8753242      4.131254 
1 1 1 17 9  40 o 46.238  2.0124 16.848   1.4587  19.314   2.0140  14.127   2.1155  49.349  2.6127 42.042  3.2346 7.306374       4.157988 
1 1 1 17 9  41 f 34.490  2.6705 9.4714   1.4327  10.961   1.8521  7.2528   2.2607  36.993  3.2260 29.522  5.0672 7.470285       6.006909 
1 1 1 17 9  42 o 17.084  4.8259 2.4312   1.3494  2.2263   1.9984  2.6029   1.8295  17.191  6.0142 17.917  5.7486 -0.7263832     8.319623 
1 1 1 17 9  43 o 52.735  2.1506 21.953   1.7779  20.639   2.5544  23.188   2.4762  50.812  3.2235 53.956  2.9385 -3.144535      4.361874 
1 1 1 17 9  44 o 37.050  2.7351 10.947   1.5774  12.037   2.3049  9.9871   2.1633  38.544  3.8667 35.031  4.0115 3.513500       5.571643 
1 1 1 17 9  45 o 43.979  2.4869 15.369   1.7076  14.559   2.4210  16.171   2.4088  42.460  3.6733 44.839  3.4533 -2.378983      5.041686 
1 1 1 17 9  46 o 22.460  4.3489 4.2168   1.4759  3.1425   1.9118  5.8016   2.3220  19.284  5.8296 25.945  5.8488 -6.661007      8.257847 
1 1 1 17 9  47 o 49.780  2.1765 19.603   1.6985  22.185   2.3669  16.862   2.4389  52.703  2.8757 45.742  3.4260 6.961761       4.472942 
1 1 1 17 9  48 o 53.457  2.1569 22.616   1.8076  22.000   2.5654  23.224   2.5473  52.355  3.1401 53.840  3.0304 -1.484840      4.363892 
1 1 1 17 9  49 o 27.170  3.6476 6.0533   1.5144  7.5571   2.1930  4.6826   2.0938  29.961  4.8336 23.162  5.7838 6.798470       7.537635 
1 1 1 17 9  50 o 10.638  4.4652 0.2259   1.2582  0.6039   1.7853  -0.1472  1.7734  13.058  5.3865 11.729  5.1170 1.329724       7.429579 
1 1 1 17 9  51 o 59.250  1.8630 27.762   1.7304  27.261   2.4323  28.274   2.4624  58.448  2.6546 59.531  2.6385 -1.082890      3.742805 
1 1 1 17 9  52 o 20.831  4.0273 3.6592   1.2676  4.4094   1.7247  2.7780   1.8694  22.561  5.0071 18.034  5.8134 4.526939       7.672444 
1 1 1 17 9  53 o 22.139  3.8452 4.1100   1.2861  3.3942   1.8206  4.8232   1.8171  19.608  5.6279 23.536  5.0743 -3.927179      7.577777 
1 1 1 17 9  54 o 15.289  4.7238 1.9821   1.2465  3.4167   1.7570  0.5283   1.7688  19.622  5.4939 12.722  5.3138 6.900947       7.643292 
1 1 1 17 9  55 o 51.986  1.9745 21.468   1.6092  21.912   2.2528  21.006   2.2993  52.121  2.7671 50.963  2.8899 1.157806       4.001044 
1 1 1 17 9  56 o 14.948  4.8061 1.8931   1.2783  3.5353   1.8228  0.3039   1.7932  19.786  5.6157 12.310  5.2554 7.475856       7.691286 
1 1 1 17 9  57 o 34.223  2.5927 9.4711   1.3807  9.8057   1.9597  9.1413   1.9455  34.294  3.7040 33.035  3.8277 1.259499       5.326377 
1 1 1 17 9  58 o 42.820  2.2452 14.708   1.5019  14.078   2.1303  15.330   2.1178  41.341  3.3150 43.252  3.1450 -1.911068      4.569452 
1 1 1 17 9  59 o 7.2230  3.5271 -2.2488  1.3128  -4.2232  1.6816  0.8319   2.1006  7.2055  3.6008 13.828  5.7847 -6.622769      6.813838 
1 1 1 17 9  60 o 10.327  4.5100 -0.0414  1.3807  -1.5233  1.8317  1.9080   2.1009  9.8522  4.6326 15.763  6.0530 -5.910522      7.622319 
1 1 1 17 9  61 o 37.279  2.5576 11.269   1.4857  11.806   2.2158  10.831   2.0024  37.407  3.8327 35.966  3.5998 1.441097       5.258210 
1 1 1 17 9  62 o 33.591  2.7492 9.2180   1.4350  8.8148   2.1003  9.5709   1.9653  31.940  4.3043 33.636  3.7933 -1.696306      5.737204 
1 1 1 17 9  63 o 11.569  4.7288 0.6485   1.3604  1.7333   2.2613  0.0332   1.7031  15.493  6.1806 11.400  4.9930 4.092260       7.945426 
1 1 1 17 9  64 o 8.4033  3.9282 -1.0057  1.2845  0.2511   1.9336  -1.9983  1.7185  12.307  5.3567 8.9140  4.2745 3.392596       6.853151 
1 1 1 17 9  65 o 13.749  4.8740 1.5869   1.3158  -0.1147  1.9486  3.0130   1.7840  11.750  5.2342 17.828  5.6720 -6.077915      7.718009 
1 1 1 17 9  66 o 11.606  4.7843 0.6776   1.4072  -0.2692  1.9003  1.8273   2.0940  11.339  5.1009 15.140  5.9765 -3.800960      7.857360 
1 1 1 17 9  67 o 16.303  5.3667 2.5216   1.5890  1.1349   2.3640  3.6647   2.1463  14.197  6.0469 18.957  6.2370 -4.760459      8.687061 
1 1 1 17 10 0  o 194.581 2.2738 297.207  6.9337  297.207  6.9337  297.207  6.9337  194.581 2.2738 194.581 2.2738 0.000000       0.000000 
1 1 1 17 10 1  o 116.897 1.4324 107.216  2.6249  113.787  3.8175  101.323  3.6151  120.366 2.0231 113.582 2.0303 6.784218       2.866192 
1 1 1 17 10 2  o 56.308  1.7580 24.890   1.5518  29.807   2.3139  20.870   2.0920  61.580  2.3969 51.450  2.6022 10.13004       3.537851 
1 1 1 17 10 3  f 148.277 1.4664 172.515  3.4087  171.366  4.7837  173.700  4.8585  147.706 2.0659 148.705 2.0841 -0.9997101     2.934544 
1 1 1 17 10 4  o 92.485  1.5138 67.121   2.1948  63.482   2.9142  71.890   3.3363  89.899  2.0678 95.652  2.2250 -5.752220      3.037463 
1 1 1 17 10 5  o 11.304  4.5473 0.4643   1.2351  1.1461   1.7897  -0.1557  1.7066  14.561  5.5879 11.785  5.0808 2.776084       7.552430 
1 1 1 17 10 6  o 90.464  1.5234 64.222   2.1605  64.522   2.9345  63.866   3.1925  90.630  2.0654 90.149  2.2590 0.4810104      3.060899 
1 1 1 17 10 7  o 38.332  2.2802 11.589   1.3640  12.226   1.8719  10.867   1.9917  39.281  3.0640 36.959  3.4784 2.321533       4.635478 
1 1 1 17 10 8  o 36.735  2.3748 10.653   1.3603  13.179   1.8763  7.8532   1.9751  40.806  2.9530 31.249  4.1333 9.557673       5.079783 
1 1 1 17 10 9  o 42.752  2.1066 14.361   1.4119  16.041   1.9658  12.570   2.0291  45.058  2.7968 39.798  3.2815 5.260345       4.311658 
1 1 1 17 10 10 o 180.725 1.6169 256.378  4.5811  260.934  6.2697  251.160  6.7098  182.213 2.1949 178.723 2.3948 3.489868       3.248513 
1 1 1 17 10 11 o 108.469 1.4895 92.336   2.5328  89.578   3.3676  95.928   3.8431  106.782 2.0117 110.474 2.2190 -3.692635      2.995188 
1 1 1 17 10 12 o 128.408 1.4919 129.410  3.0032  126.393  4.0018  133.300  4.5440  126.836 2.0126 130.222 2.2259 -3.385483      3.000854 
1 1 1 17 10 13 o 76.342  1.5863 45.751   1.8985  44.606   2.5611  47.149   2.8286  75.332  2.1687 77.433  2.3302 -2.100685      3.183210 
1 1 1 17 10 14 o 38.743  2.3487 11.848   1.4198  13.227   1.9246  10.202   2.1031  40.853  3.0266 35.721  3.8146 5.132183       4.869381 
1 1 1 17 10 15 o 144.098 1.5126 162.992  3.4170  164.391  4.6499  161.350  5.0381  144.627 2.0509 143.247 2.2435 1.380920       3.039659 
1 1 1 17 10 16 o 166.859 1.5780 218.590  4.1277  223.061  5.6564  213.496  6.0370  168.442 2.1421 164.744 2.3375 3.698013       3.170583 
1 1 1 17 10 17 o 55.773  1.7924 24.435   1.5672  24.522   2.1042  24.326   2.3484  55.824  2.4045 55.572  2.6957 0.2519684      3.612225 
1 1 1 17 10 18 o 69.936  1.6153 38.408   1.7710  39.019   2.4085  37.689   2.6131  70.437  2.1811 69.202  2.4087 1.235756       3.249482 
1 1 1 17 10 19 o 63.863  1.6928 32.035   1.6948  30.693   2.2564  33.773   2.5671  62.456  2.3046 65.492  2.5004 -3.035786      3.400466 
1 1 1 17 10 20 o 113.476 1.4805 101.098  2.6336  101.727  3.5742  100.352  3.8955  113.750 2.0044 112.944 2.2001 0.8063431      2.976251 
1 1 1 17 10 21 f 99.347  1.5691 77.512   2.4438  79.533   3.1843  74.615   3.8118  100.571 2.0197 97.331  2.4982 3.240387       3.212480 
1 1 1 17 10 22 o 95.745  1.5748 71.999   2.3637  73.312   3.0726  70.095   3.6995  96.550  2.0300 94.328  2.5018 2.222595       3.221822 
1 1 1 17 10 23 o 71.926  1.6913 40.647   1.9071  38.933   2.4459  43.306   3.0458  70.332  2.2184 74.117  2.6214 -3.784416      3.434049 
1 1 1 17 10 24 o 52.428  2.0040 21.620   1.6471  21.519   2.1809  21.755   2.5128  52.167  2.6758 52.380  3.0736 -0.2135887     4.075151 
1 1 1 17 10 25 o 75.123  1.7045 44.351   2.0074  44.546   2.6577  44.092   3.0630  75.215  2.2539 74.772  2.6131 0.4432144      3.450909 
1 1 1 17 10 26 o 69.397  1.8640 37.872   2.0279  36.508   2.5369  40.285   3.3749  68.068  2.3774 71.388  3.0157 -3.319962      3.840137 
1 1 1 17 10 27 o 67.440  1.7449 35.755   1.8448  38.494   2.5949  32.954   2.6232  69.889  2.3684 64.631  2.5890 5.258392       3.508880 
1 1 1 17 10 28 o 27.241  2.9782 5.9364   1.2511  6.2328   1.7150  5.5991   1.8293  27.689  4.0726 26.079  4.6447 1.610203       6.177343 
1 1 1 17 10 29 o 37.341  2.5314 11.052   1.4731  9.5324   1.9070  13.300   2.3197  34.466  3.5817 40.750  3.6707 -6.284138      5.128601 
1 1 1 17 10 30 o 37.168  2.4244 10.942   1.4049  10.899   1.8033  11.008   2.2409  36.964  3.1417 36.972  3.9264 -0.8052826E-02 5.028585 
1 1 1 17 10 31 o 45.445  2.0021 16.261   1.4263  14.653   1.7743  19.198   2.3982  42.990  2.6455 49.125  3.1304 -6.135181      4.098568 
1 1 1 17 10 32 o 43.837  2.0844 15.139   1.4324  15.143   1.7992  15.131   2.3673  43.701  2.6386 43.494  3.5016 0.2064514      4.384453 
1 1 1 17 10 33 o 46.790  2.0000 17.242   1.4670  18.980   1.8431  14.238   2.4232  49.040  2.3974 42.121  3.7076 6.919605       4.415201 
1 1 1 17 10 34 o 67.865  1.7296 36.234   1.8401  39.262   2.2504  30.123   3.1966  70.594  2.0334 61.487  3.3287 9.107502       3.900676 
1 1 1 17 10 35 o 26.197  3.5981 5.5645   1.4386  5.0192   1.9320  6.2431   2.1553  24.455  5.1996 27.336  5.2199 -2.880497      7.367696 
1 1 1 17 10 36 o 75.703  1.8859 45.133   2.2381  42.252   2.7985  50.245   3.7283  73.132  2.4409 79.596  2.9879 -6.463661      3.858180 
1 1 1 17 10 37 o 59.107  2.0616 27.544   1.9102  28.206   2.4359  26.487   3.0785  59.710  2.6023 57.572  3.4264 2.138287       4.302611 
1 1 1 17 10 38 o 73.235  1.7806 42.230   2.0442  41.436   2.7236  43.255   3.0936  72.410  2.3993 73.910  2.6699 -1.500435      3.589619 
1 1 1 17 10 39 o 10.111  4.4054 -0.1882  1.3106  2.0989   1.6675  -3.8841  2.1197  16.392  5.5009 9.1188  4.4590 7.273692       7.081111 
1 1 1 17 10 40 o 47.658  2.2490 17.944   1.6803  19.311   2.0624  15.246   2.8978  49.289  2.6792 43.276  4.3294 6.012810       5.091375 
1 1 1 17 10 41 f 35.972  2.7289 10.323   1.5274  10.708   2.1185  9.9071   2.2042  36.357  3.7719 34.850  4.1139 1.507370       5.581368 
1 1 1 17 10 42 o 27.060  3.4131 5.9418   1.4157  8.4018   1.9963  3.4533   2.0078  32.051  4.0645 20.159  5.9465 11.89237       7.202848 
1 1 1 17 10 43 o 39.449  2.4201 12.374   1.4895  12.608   2.1020  12.138   2.1108  39.546  3.4245 38.768  3.5112 0.7777519      4.904686 
1 1 1 17 10 44 o 36.849  2.6228 10.838   1.5052  14.607   2.3105  8.0584   1.9840  42.533  3.4961 31.301  4.1453 11.23257       5.422773 
1 1 1 17 10 45 o 66.148  2.0114 34.584   2.0858  33.715   2.8578  35.574   3.0511  65.058  2.8020 66.784  2.9143 -1.725906      4.042835 
1 1 1 17 10 46 o 44.614  2.2196 15.771   1.5524  16.695   2.1962  14.848   2.1947  45.575  3.0922 42.899  3.2885 2.676674       4.513978 
1 1 1 17 10 47 o 40.433  2.4881 13.048   1.5694  12.494   2.0545  13.823   2.4321  39.271  3.3697 41.138  3.8146 -1.867378      5.089819 
1 1 1 17 10 48 o 30.530  3.0811 7.5503   1.4545  8.4205   1.9495  6.4580   2.1843  31.930  3.9813 27.377  5.2808 4.552837       6.613442 
1 1 1 17 10 49 o 10.741  4.4927 0.2752   1.2669  0.9383   1.6157  -0.7832  2.0414  13.224  5.2404 11.633  5.2549 1.590692       7.421293 
1 1 1 17 10 50 o 21.256  4.1362 3.8267   1.3287  4.7035   1.7163  2.5151   2.0991  23.346  4.8480 17.540  6.1623 5.805822       7.840693 
1 1 1 17 10 51 o 19.608  4.5239 3.3190   1.3623  3.9700   1.7755  2.3873   2.1241  21.192  5.3451 17.213  6.1829 3.979671       8.173028 
1 1 1 17 10 52 o 28.883  2.8864 6.7815   1.2894  3.7252   1.7304  10.597   1.9335  20.471  5.3373 35.903  3.4789 -15.43209      6.370975 
1 1 1 17 10 53 f 13.524  4.7868 1.4198   1.2687  2.3321   1.9140  0.7048   1.6945  16.725  5.8837 12.788  5.2581 3.937363       7.890856 
1 1 1 17 10 54 o 25.557  3.4266 5.4297   1.3383  5.0863   2.0448  5.6870   1.7700  23.688  5.5956 25.630  4.5729 -1.941856      7.226455 
1 1 1 17 10 55 o 9.1637  4.1355 -0.4864  1.2608  -0.4161  1.8616  -0.5460  1.7135  11.350  5.0815 10.704  4.8268 0.6457491      7.008576 
1 1 1 17 10 56 o 24.751  3.5322 5.1394   1.3317  9.5640   2.1008  2.1674   1.7218  33.575  4.0748 15.977  5.5827 17.59816       6.911649 
1 1 1 17 10 57 o 9.0608  4.1225 -0.5896  1.2839  -0.4652  2.0560  -0.6692  1.6439  11.784  5.3029 10.255  4.6654 1.528664       7.063118 
1 1 1 17 10 58 o 9.0388  4.1420 -0.7064  1.3265  -1.4806  2.0832  -0.1784  1.7204  10.667  4.9916 11.183  4.9530 -0.5154543     7.031931 
1 1 1 17 10 59 o 23.830  4.0115 4.8903   1.4454  4.3845   2.2706  5.2350   1.8741  21.316  6.3328 24.037  5.1298 -2.720711      8.149794 
1 1 1 17 10 60 o 12.519  4.8211 1.0730   1.3354  -0.0041  2.0102  1.9237   1.7866  12.199  5.3810 15.293  5.6438 -3.094240      7.797896 
1 1 1 17 10 61 o 19.366  4.5201 3.3554   1.3473  3.0678   1.9736  3.6064   1.8437  18.088  5.9823 19.546  5.6791 -1.457973      8.248664 
1 1 1 17 10 62 o 16.047  5.2774 2.3306   1.5367  2.2447   2.0840  2.4330   2.2750  16.168  6.0699 16.709  6.3267 -0.5409203     8.767585 
1 1 1 17 10 63 o 18.081  4.9032 3.0194   1.4249  3.7051   1.9855  2.2914   2.0459  19.492  5.9517 16.134  6.0226 3.358028       8.467257 
1 1 1 17 10 64 o 15.095  4.9059 2.0692   1.3294  1.0359   2.0140  2.8670   1.7698  13.571  5.6695 17.308  5.6621 -3.737177      8.012652 
1 1 1 17 10 65 o 16.675  5.5251 2.6695   1.6832  1.6021   2.2939  3.9147   2.4776  14.820  6.1085 19.289  6.6993 -4.469413      9.066122 
1 1 1 17 11 0  o 51.473  2.5261 20.953   2.0272  20.953   2.0272  20.953   2.0272  51.473  2.5261 51.473  2.5261 0.000000       0.000000 
1 1 1 17 11 1  o 58.841  1.6743 27.188   1.5445  26.300   2.1678  28.104   2.2010  57.815  2.3918 59.770  2.3490 -1.954403      3.352344 
1 1 1 17 11 2  o 55.312  1.7276 24.028   1.4980  23.879   2.1138  24.180   2.1233  55.084  2.4479 55.431  2.4435 -0.3466110     3.458698 
1 1 1 17 11 3  o 70.126  1.5541 38.608   1.7085  36.307   2.3572  41.155   2.4798  67.948  2.2129 72.344  2.1865 -4.396507      3.110932 
1 1 1 17 11 4  o 70.302  1.5640 38.803   1.7237  40.291   2.4869  37.428   2.3912  71.577  2.2163 68.988  2.2110 2.588806       3.130574 
1 1 1 17 11 5  o 36.096  2.2919 10.290   1.2902  9.2397   1.8144  11.365   1.8349  34.026  3.4492 37.825  3.1223 -3.799828      4.652485 
1 1 1 17 11 6  o 99.109  1.4317 77.101   2.2245  75.717   3.1279  78.516   3.1642  98.145  2.0330 99.945  2.0195 -1.799606      2.865582 
1 1 1 17 11 7  o 138.155 1.5086 149.846  3.2673  146.964  4.8324  152.273  4.4346  136.686 2.2552 139.180 2.0325 -2.493546      3.035916 
1 1 1 17 11 8  o 64.404  1.6032 32.572   1.6187  32.485   2.2723  32.661   2.3065  64.261  2.2556 64.432  2.2834 -0.1715469     3.209659 
1 1 1 17 11 9  o 50.240  1.9040 19.836   1.4996  21.756   2.0380  17.569   2.2145  52.568  2.4729 47.095  3.0154 5.473747       3.899719 
1 1 1 17 11 10 o 143.066 1.5840 160.730  3.5525  167.211  4.6904  152.010  5.4406  145.831 2.0517 138.941 2.4978 6.890106       3.232425 
1 1 1 17 11 11 o 77.244  1.5690 46.854   1.8999  46.859   2.5610  46.849   2.8332  77.190  2.1164 77.152  2.3425 0.3759003E-01  3.157003 
1 1 1 17 11 12 o 108.366 1.4922 92.203   2.5349  90.566   3.4009  94.250   3.8024  107.323 2.0214 109.450 2.2161 -2.126717      2.999521 
1 1 1 17 11 13 o 80.230  1.6329 50.559   2.0538  51.465   2.9065  49.655   2.9025  80.864  2.2928 79.424  2.3312 1.439728       3.269739 
1 1 1 17 11 14 o 25.242  3.2216 5.1154   1.2458  4.5371   1.6683  5.8443   1.8729  23.452  4.7014 26.711  4.6413 -3.258247      6.606432 
1 1 1 17 11 15 o 58.217  1.7610 26.633   1.6072  29.381   2.2147  23.577   2.3359  61.090  2.3126 54.678  2.7251 6.411980       3.574143 
1 1 1 17 11 16 o 45.602  2.0441 16.358   1.4613  16.939   1.9728  15.651   2.1751  46.263  2.7324 44.391  3.1459 1.871780       4.166851 
1 1 1 17 11 17 o 79.835  1.5446 50.061   1.9331  50.004   2.5979  50.133   2.8935  79.722  2.0787 79.790  2.3133 -0.6766510E-01 3.110013 
1 1 1 17 11 18 o 63.125  1.6759 31.312   1.6584  32.039   2.2656  30.473   2.4341  63.789  2.2657 62.179  2.4972 1.609169       3.371796 
1 1 1 17 11 19 o 87.404  1.5202 60.007   2.0830  61.775   2.8361  57.936   3.0693  88.608  2.0417 85.769  2.2827 2.838387       3.062605 
1 1 1 17 11 20 o 140.255 1.5206 154.525  3.3434  155.291  4.5242  153.604  4.9626  140.476 2.0544 139.651 2.2668 0.8252869      3.059250 
1 1 1 17 11 21 o 28.176  2.9391 6.3412   1.2791  8.4176   1.7608  4.0209   1.8613  32.392  3.5243 21.916  5.4425 10.47672       6.483968 
1 1 1 17 11 22 o 25.600  3.1850 5.2660   1.2506  6.8453   1.6711  3.2562   1.8853  29.119  3.7478 19.829  5.7375 9.289909       6.853119 
1 1 1 17 11 23 o 30.593  2.6657 7.4442   1.2657  10.013   1.7369  4.5364   1.8482  35.423  3.1610 23.300  5.1924 12.12252       6.078933 
1 1 1 17 11 24 o 79.343  1.5600 49.472   1.9404  50.358   2.6499  48.448   2.8491  79.964  2.1138 78.396  2.3182 1.568161       3.137296 
1 1 1 17 11 25 o 30.866  2.7248 7.5853   1.3049  6.6825   1.7306  8.7752   1.9867  28.700  3.9512 32.964  3.9215 -4.263369      5.566863 
1 1 1 17 11 26 o 90.314  1.5834 64.115   2.2419  63.962   2.8888  64.345   3.5548  90.122  2.0447 90.284  2.5116 -0.1619034     3.238645 
1 1 1 17 11 27 o 17.205  4.3334 2.4615   1.1682  0.7741   1.5754  4.5223   1.7411  13.027  5.1709 23.281  4.9243 -10.25309      7.140531 
1 1 1 17 11 28 o 43.057  2.0604 14.605   1.3907  16.319   1.8844  12.555   2.0611  45.361  2.6616 39.622  3.3496 5.739063       4.278316 
1 1 1 17 11 29 o 76.471  1.9239 46.045   2.3064  48.389   3.5073  44.259   3.0614  78.178  2.8618 74.831  2.6097 3.347549       3.873009 
1 1 1 17 11 30 o 65.977  1.7459 34.252   1.8058  34.407   2.3471  34.026   2.8267  66.039  2.2671 65.573  2.7498 0.4659729      3.563872 
1 1 1 17 11 31 o 53.380  2.1598 22.470   1.8074  20.393   2.0458  29.854   3.8573  50.723  2.5814 60.938  4.0611 -10.21442      4.812029 
1 1 1 17 11 32 o 64.807  1.9908 33.096   2.0226  31.175   2.2967  39.733   4.2690  62.836  2.3316 70.387  3.8838 -7.551174      4.529932 
1 1 1 17 11 33 o 45.850  2.1484 16.583   1.5442  16.809   1.8507  16.065   2.8016  46.028  2.5753 44.596  4.0516 1.431759       4.800786 
1 1 1 17 11 34 o 27.220  3.9747 6.0547   1.6461  5.9180   1.9496  6.3939   3.0718  26.657  4.8438 27.094  7.1340 -0.4370899     8.623006 
1 1 1 17 11 35 o 80.036  2.1361 50.553   2.6801  52.903   3.7082  47.983   3.8780  81.644  2.8973 77.655  3.1856 3.989197       4.306049 
1 1 1 17 11 36 o 21.990  4.2927 4.0227   1.4267  2.7825   1.9236  5.5392   2.1270  18.439  5.8922 25.551  5.4749 -7.112499      8.043187 
1 1 1 17 11 37 o 16.382  4.8288 2.2248   1.3244  3.8481   1.9952  0.9463   1.7708  21.227  5.8213 13.846  5.4865 7.381045       7.999275 
1 1 1 17 11 38 o 55.991  2.1352 24.764   1.8741  21.133   2.5390  29.110   2.7779  51.395  3.1667 60.501  2.9289 -9.106014      4.313552 
1 1 1 17 11 39 o 16.800  5.3573 2.3047   1.5908  2.9841   2.1170  1.4235   2.4110  19.024  6.1912 16.202  6.4076 2.822248       8.909981 
1 1 1 17 11 40 o 34.086  2.8612 9.3089   1.5147  8.0938   2.0391  10.805   2.2626  31.347  4.2597 36.372  4.0362 -5.025455      5.868182 
1 1 1 17 11 41 o 46.893  2.1336 17.392   1.5685  16.630   2.0076  18.587   2.5128  45.618  2.8212 48.051  3.3570 -2.433151      4.385001 
1 1 1 17 11 42 o 29.024  3.1161 6.8101   1.3956  6.1402   1.8134  7.7834   2.1858  27.131  4.4155 30.496  4.7249 -3.365438      6.466907 
1 1 1 17 11 43 o 16.635  4.6401 2.3424   1.2558  2.9552   1.7000  1.6065   1.8630  18.589  5.4685 15.336  5.7426 3.253654       7.929791 
1 1 1 17 11 44 o 64.575  1.7940 32.935   1.8161  34.206   2.4470  31.377   2.7098  65.621  2.3787 62.706  2.7566 2.915123       3.641036 
1 1 1 17 11 45 o 55.817  1.9579 24.657   1.7132  23.886   2.1998  25.845   2.7312  54.750  2.5630 56.666  3.0862 -1.915627      4.011677 
1 1 1 17 11 46 o 59.037  1.9245 27.592   1.7812  26.911   2.2794  28.659   2.8544  58.106  2.5023 59.645  3.0630 -1.538895      3.955214 
1 1 1 17 11 47 o 23.931  3.7090 4.7616   1.3464  3.4731   1.6612  7.2293   2.2988  19.912  5.2477 28.882  5.2714 -8.969711      7.438140 
1 1 1 17 11 48 o 14.922  4.8800 1.8412   1.3147  0.1793   1.6538  4.6946   2.1670  11.786  5.0398 22.827  5.9828 -11.04156      7.822637 
1 1 1 17 11 49 o 16.877  4.9491 2.4727   1.3944  1.1126   1.8769  4.1484   2.0832  14.077  5.6258 21.405  5.9784 -7.328416      8.209165 
1 1 1 17 11 50 o 33.684  2.8723 9.2130   1.5022  7.2683   1.8785  12.663   2.5021  29.306  4.2097 38.832  4.1758 -9.526363      5.929498 
1 1 1 17 11 51 o 53.305  1.8701 22.566   1.5627  20.289   2.1448  25.144   2.2816  50.102  2.7411 55.927  2.6023 -5.824528      3.779637 
1 1 1 17 11 52 o 39.610  2.2527 12.586   1.3931  15.122   2.0195  10.284   1.9242  43.053  3.0111 35.202  3.5345 7.851353       4.643213 
1 1 1 17 11 53 o 19.201  4.2551 3.2137   1.2471  3.9149   1.7805  2.5383   1.7473  20.718  5.4199 16.953  5.6300 3.764891       7.814844 
1 1 1 17 11 54 o 22.587  3.7395 4.3363   1.2778  4.2788   1.8057  4.3940   1.8085  21.645  5.3515 21.960  5.3114 -0.3147163     7.539864 
1 1 1 17 11 55 o 13.501  4.7833 1.4653   1.2671  2.2528   1.7799  0.6558   1.8044  16.148  5.6742 12.785  5.3559 3.363331       7.802706 
1 1 1 17 11 56 o 23.291  3.7047 4.6182   1.3074  5.9970   1.8588  3.2681   1.8393  26.015  4.7320 18.739  5.7295 7.276278       7.430984 
1 1 1 17 11 57 o 7.7062  3.6899 -1.5539  1.2701  -0.4270  1.8286  -2.6043  1.7655  11.104  4.9987 8.5751  4.1654 2.529096       6.506746 
1 1 1 17 11 58 o 13.717  4.8387 1.5522   1.2953  1.7254   1.8219  1.3751   1.8419  14.850  5.6524 14.142  5.5981 0.7087812      7.955406 
1 1 1 17 11 59 o 13.361  4.7782 1.4521   1.2673  1.8388   1.7912  1.0646   1.7932  15.014  5.6291 13.389  5.4459 1.624796       7.832278 
1 1 1 17 11 60 o 19.683  4.4870 3.4847   1.3538  1.8169   2.0019  4.8899   1.8377  15.155  5.8843 22.937  5.2271 -7.781865      7.870655 
1 1 1 17 11 61 f 9.0562  4.1609 -0.6831  1.3509  0.0117   2.0227  -1.2426  1.8150  12.068  5.3567 9.9350  4.6522 2.133336       7.094880 
1 1 1 17 11 62 o 14.766  5.1384 1.9490   1.4579  2.9594   2.4461  1.3923   1.8156  17.500  6.5748 13.859  5.5352 3.640596       8.594560 
1 1 1 17 11 63 o 23.833  4.1382 5.0674   1.4900  2.4297   2.3936  6.7360   1.9038  16.304  6.4046 27.153  4.6391 -10.84897      7.908257 
1 1 1 17 12 0  o 110.368 2.0332 95.719   3.5152  95.719   3.5152  95.719   3.5152  110.368 2.0332 110.368 2.0332 0.000000       0.000000 
1 1 1 17 12 1  o 61.335  1.6421 29.556   1.5789  30.736   2.2188  28.346   2.2473  62.481  2.2652 59.987  2.3897 2.494064       3.292679 
1 1 1 17 12 2  o 44.348  1.9552 15.467   1.3593  16.214   1.9533  14.766   1.8929  45.248  2.7671 43.165  2.8127 2.083054       3.945590 
1 1 1 17 12 3  o 55.273  1.8183 24.016   1.5756  23.208   2.1496  24.955   2.3161  54.262  2.5270 56.255  2.6262 -1.992886      3.644591 
1 1 1 17 12 4  o 22.964  3.4211 4.2643   1.1940  5.4014   1.7203  3.2075   1.6585  25.683  4.4330 19.652  5.2735 6.030367       6.889192 
1 1 1 17 12 5  o 88.361  1.4686 61.315   2.0342  62.299   2.8705  60.323   2.8832  88.985  2.0577 87.555  2.1006 1.429733       2.940545 
1 1 1 17 12 6  o 115.512 1.4315 104.778  2.5923  105.981  3.6714  103.583  3.6607  116.068 2.0177 114.744 2.0351 1.324059       2.865768 
1 1 1 17 12 7  o 114.289 1.5132 102.596  2.7111  96.836   3.9635  107.661  3.7166  110.890 2.2800 116.981 2.0267 -6.091125      3.050529 
1 1 1 17 12 8  o 93.473  1.4471 68.617   2.1205  70.888   3.0457  66.480   2.9542  94.917  2.0469 91.918  2.0501 2.999146       2.897012 
1 1 1 17 12 9  o 141.295 1.5189 156.820  3.3645  155.982  4.5426  157.837  5.0075  140.792 2.0581 141.571 2.2563 -0.7791748     3.053952 
1 1 1 17 12 10 o 13.029  4.5945 1.1963   1.1678  1.5243   1.5553  0.7725   1.7681  14.810  5.2938 13.623  5.4547 1.186445       7.601147 
1 1 1 17 12 11 o 103.916 1.4386 84.809   2.3435  82.671   3.2896  87.013   3.3395  102.494 2.0473 105.156 2.0258 -2.661278      2.880156 
1 1 1 17 12 12 o 92.571  1.5892 67.334   2.3062  67.574   3.2624  67.093   3.2605  92.623  2.2468 92.291  2.2536 0.3316116      3.182218 
1 1 1 17 12 13 o 87.411  1.5264 60.028   2.0917  61.052   2.8191  58.772   3.1198  88.074  2.0418 86.366  2.3043 1.708633       3.078722 
1 1 1 17 12 14 o 54.827  1.8044 23.639   1.5509  24.904   2.1146  22.167   2.2813  56.205  2.4000 52.907  2.7602 3.297852       3.657650 
1 1 1 17 12 15 o 89.074  1.5208 62.339   2.1236  61.167   2.8480  63.806   3.1869  88.146  2.0610 89.988  2.2590 -1.841942      3.057939 
1 1 1 17 12 16 o 12.608  4.6409 1.0240   1.2068  1.6703   1.6458  0.2724   1.7749  15.344  5.4497 12.667  5.3095 2.676877       7.608515 
1 1 1 17 12 17 o 81.144  1.5774 51.748   2.0066  50.866   2.6942  52.847   3.0071  80.360  2.1386 81.870  2.3429 -1.509918      3.172241 
1 1 1 17 12 18 o 17.525  4.5371 2.5526   1.2562  3.1267   1.7089  1.8777   1.8530  19.377  5.4158 16.231  5.7807 3.145178       7.921283 
1 1 1 17 12 19 o 96.390  1.5067 73.011   2.2768  75.145   3.1039  70.525   3.3499  97.688  2.0268 94.585  2.2592 3.103600       3.035092 
1 1 1 17 12 20 o 83.917  1.5455 55.350   2.0332  55.210   2.7287  55.524   3.0487  83.718  2.0791 83.906  2.3177 -0.1880569     3.113592 
1 1 1 17 12 21 o 59.479  1.9099 27.849   1.7808  26.339   2.3643  29.828   2.7074  57.737  2.6121 61.403  2.8126 -3.665676      3.838489 
1 1 1 17 12 22 o 63.819  1.8516 32.057   1.8525  31.887   2.4795  32.271   2.7869  63.545  2.4890 63.868  2.7835 -0.3227882     3.734055 
1 1 1 17 12 23 o 47.592  2.2826 17.868   1.7030  17.663   2.1751  18.192   2.7377  47.126  2.9591 47.640  3.6946 -0.5135078     4.733576 
1 1 1 17 12 24 o 67.053  2.0650 35.431   2.1707  35.658   2.8734  35.131   3.3128  67.132  2.7303 66.524  3.1767 0.6079407      4.188779 
1 1 1 17 12 25 o 29.840  3.3480 7.1652   1.5391  6.8440   1.9590  7.6831   2.4879  28.865  4.4741 30.323  5.4333 -1.458200      7.038379 
1 1 1 17 12 26 o 9.8262  4.3662 -0.4442  1.3473  -0.4183  1.8226  -0.4753  2.0006  11.643  5.1304 12.154  5.3644 -0.5112877     7.422766 
1 1 1 17 12 27 o 68.222  1.9546 36.671   2.0904  36.382   2.9029  36.982   3.0126  67.786  2.7318 68.321  2.8128 -0.5357437     3.921018 
1 1 1 17 12 28 o 50.288  2.2606 19.964   1.7822  22.214   2.5500  17.815   2.4917  52.796  3.0945 47.180  3.3915 5.616016       4.591116 
1 1 1 17 12 29 o 59.506  2.0962 27.931   1.9555  28.104   2.7064  27.742   2.8286  59.519  2.9006 59.017  3.0679 0.5018692      4.221993 
1 1 1 17 12 30 o 40.966  2.4588 13.319   1.5718  13.975   2.0615  12.407   2.4292  41.799  3.1696 39.129  4.0172 2.670467       5.116996 
1 1 1 17 12 31 o 16.632  4.6780 2.3049   1.2708  4.3419   1.6543  -0.6280  1.9851  22.741  4.7915 11.854  5.2814 10.88778       7.131028 
1 1 1 17 12 32 o 76.466  1.7046 46.043   2.0433  46.256   2.6436  45.726   3.2204  76.524  2.2036 75.938  2.7052 0.5867462      3.489115 
1 1 1 17 12 33 o 21.887  3.8618 3.9527   1.2766  2.4306   1.5951  6.6646   2.1291  17.190  5.3490 28.212  4.9971 -11.02122      7.320003 
1 1 1 17 12 34 o 52.170  1.8344 21.457   1.5003  20.678   1.9596  22.560   2.3320  51.100  2.4463 53.218  2.8052 -2.118450      3.721980 
1 1 1 17 12 35 o 48.412  1.9941 18.502   1.5134  20.699   2.0647  15.952   2.2247  51.018  2.5900 44.594  3.2036 6.424465       4.119650 
1 1 1 17 12 36 f 37.337  2.3093 11.077   1.3450  10.820   1.7652  11.434   2.0769  36.700  3.0970 37.589  3.5673 -0.8888550     4.724094 
1 1 1 17 12 37 o 48.543  2.0084 18.617   1.5284  17.202   2.0586  20.356   2.2815  46.395  2.8442 50.465  2.8960 -4.070263      4.059087 
1 1 1 17 12 38 o 66.398  1.8294 34.797   1.9042  34.262   2.4570  35.603   3.0132  65.727  2.3846 66.824  2.8763 -1.096893      3.736231 
1 1 1 17 12 39 f 65.646  1.8421 34.030   1.8958  36.686   2.7606  31.659   2.6079  67.915  2.5929 63.074  2.6375 4.840492       3.698573 
1 1 1 17 12 40 o 62.573  1.8987 30.946   1.8625  29.708   2.3937  32.845   2.9649  61.123  2.4981 64.090  2.9510 -2.966125      3.866411 
1 1 1 17 12 41 o 56.516  2.0048 25.283   1.7762  25.909   2.2930  24.344   2.8087  57.035  2.5646 54.921  3.2772 2.114388       4.161339 
1 1 1 17 12 42 o 33.620  2.8882 9.1134   1.5074  9.3252   1.9478  8.7971   2.3802  33.697  3.7509 32.234  4.8614 1.462669       6.140272 
1 1 1 17 12 43 o 27.752  3.5877 6.3422   1.5243  5.6232   2.0196  7.2941   2.3236  25.449  5.2369 29.042  5.2990 -3.593197      7.450184 
1 1 1 17 12 44 o 47.866  2.4242 18.312   1.8131  16.700   2.4004  20.455   2.7666  45.278  3.4068 50.056  3.5487 -4.777977      4.919265 
1 1 1 17 12 45 o 34.950  2.7144 9.8495   1.4755  9.2045   2.1106  10.466   2.0637  33.173  4.1493 35.594  3.7550 -2.421738      5.596151 
1 1 1 17 12 46 o 23.802  3.8519 4.7595   1.3882  5.1073   1.9665  4.4140   1.9599  24.004  5.3611 22.180  5.6276 1.824192       7.772502 
1 1 1 17 12 47 f 51.256  2.0085 20.889   1.6139  23.506   2.2316  18.019   2.3367  54.098  2.6313 47.005  3.1899 7.092731       4.135163 
1 1 1 17 12 48 o 14.310  4.8921 1.6758   1.3191  1.3354   1.8948  1.9959   1.8374  14.446  5.6907 15.793  5.7396 -1.347129      8.082523 
1 1 1 17 12 49 o 23.808  3.8703 4.8082   1.3949  4.0601   1.8590  5.7721   2.1101  21.098  5.5472 25.266  5.4846 -4.168476      7.800788 
1 1 1 17 12 50 o 34.476  2.6351 9.6421   1.4134  8.0863   1.9934  11.215   2.0043  30.738  4.2506 36.726  3.5246 -5.987478      5.521775 
1 1 1 17 12 51 o 47.392  2.0442 17.933   1.5187  18.297   2.1290  17.556   2.1672  47.368  2.8807 46.319  3.0007 1.048634       4.159666 
1 1 1 17 12 52 o 13.640  4.7979 1.5132   1.2727  3.6379   1.8218  -0.5122  1.7787  19.787  5.6135 10.875  4.9097 8.911914       7.457642 
1 1 1 17 12 53 o 10.693  4.4862 0.3591   1.2691  2.4701   1.8024  -1.7165  1.7872  16.646  5.7178 9.4657  4.4883 7.179842       7.268982 
1 1 1 17 12 54 f 21.331  4.1309 3.9709   1.3314  5.2120   1.9044  2.7842   1.8622  23.853  5.2364 17.414  5.8133 6.438227       7.824001 
1 1 1 17 12 55 o 14.651  4.8536 1.8688   1.2990  -0.1272  1.8081  3.9978   1.8674  11.437  5.0710 20.585  5.6261 -9.148549      7.574143 
1 1 1 17 12 56 o 12.337  4.8007 1.0228   1.3348  1.3406   1.8012  0.6357   1.9879  13.952  5.5318 13.040  5.5495 0.9124517      7.835696 
1 1 1 17 12 57 o 19.175  4.6411 3.3340   1.3801  2.6669   1.8492  4.1727   2.0735  16.968  5.7924 20.686  6.0262 -3.717617      8.358670 
1 1 1 17 12 58 o 20.201  4.5333 3.6901   1.4004  4.9814   1.8805  2.0828   2.0981  23.031  5.3163 15.730  6.0470 7.301255       8.051621 
1 1 1 17 12 59 o 34.417  2.9331 9.8361   1.5674  8.9885   2.1212  10.856   2.3264  31.854  4.3623 35.075  4.3222 -3.220938      6.140925 
1 1 1 17 12 60 o 29.167  3.2821 7.2106   1.4746  6.3005   2.1294  8.0493   2.0441  25.627  5.4671 29.910  4.4988 -4.283346      7.080112 
1 1 1 17 12 61 o 17.115  5.1397 2.8179   1.4897  1.2240   2.0034  4.7890   2.2279  13.671  5.6781 21.424  6.2482 -7.753288      8.442827 
1 1 1 17 13 0  o 53.484  2.6446 22.655   2.2050  22.655   2.2050  22.655   2.2050  53.484  2.6446 53.484  2.6446 0.000000       0.000000 
1 1 1 17 13 1  o 84.011  1.4865 55.455   1.9578  57.463   2.7693  53.449   2.7682  85.422  2.0680 82.370  2.1437 3.051682       2.978585 
1 1 1 17 13 2  f 81.427  1.5574 52.109   1.9880  52.106   2.6866  52.113   2.9555  81.335  2.1070 81.299  2.3189 0.3624725E-01  3.133218 
1 1 1 17 13 3  o 89.520  1.5449 62.979   2.1681  64.114   3.2182  62.037   2.9337  90.185  2.2763 88.747  2.1087 1.437462       3.102921 
1 1 1 17 13 4  o 18.876  4.1311 2.9523   1.1885  3.4064   1.6908  2.5088   1.6710  20.171  5.2838 17.608  5.4741 2.562855       7.608203 
1 1 1 17 13 5  o 10.168  4.2929 0.0974   1.1740  -1.0809  1.6558  1.2888   1.6649  10.132  4.6374 14.440  5.4245 -4.307831      7.136604 
1 1 1 17 13 6  o 52.133  1.8247 21.383   1.4913  23.187   2.1219  19.622   2.0963  54.200  2.4973 49.760  2.6974 4.439903       3.675954 
1 1 1 17 13 7  o 71.466  1.5634 40.144   1.7516  42.655   2.5338  37.846   2.4241  73.569  2.1969 69.292  2.2316 4.277000       3.131522 
1 1 1 17 13 8  o 13.180  4.6837 1.2179   1.2158  0.8221   1.6778  1.6554   1.7642  13.430  5.3345 15.520  5.6266 -2.090789      7.753378 
1 1 1 17 13 9  o 112.404 1.4511 99.275   2.5570  97.518   3.5795  101.106  3.6540  111.271 2.0521 113.298 2.0573 -2.027573      2.905741 
1 1 1 17 13 10 o 30.946  2.6493 7.6220   1.2729  7.5696   1.7999  7.6744   1.8004  30.588  3.8382 30.810  3.8087 -0.2217331     5.407170 
1 1 1 17 13 11 o 85.742  1.5776 57.794   2.1205  63.127   3.2369  53.784   2.8066  89.462  2.3080 82.607  2.1673 6.854988       3.166070 
1 1 1 17 13 12 o 51.713  2.0488 21.066   1.6609  21.565   2.2984  20.522   2.4028  52.130  2.8230 50.802  3.0308 1.328068       4.141906 
1 1 1 17 13 13 o 70.175  1.9211 38.773   2.1134  39.360   2.9894  38.187   2.9882  70.550  2.7029 69.482  2.7434 1.068542       3.851238 
1 1 1 17 13 14 o 71.375  2.0546 40.139   2.2990  39.069   2.9761  41.722   3.6202  70.285  2.7010 72.506  3.1850 -2.220589      4.176068 
1 1 1 17 13 15 o 83.459  1.9604 54.860   2.5649  56.913   3.3868  52.101   3.9276  84.867  2.5457 81.045  3.0913 3.821701       4.004575 
1 1 1 17 13 16 o 89.465  2.0807 63.084   2.9182  57.800   3.9425  69.486   4.3399  85.401  2.9448 93.634  2.9566 -8.232346      4.172899 
1 1 1 17 13 17 o 12.450  5.1220 0.4593   1.6089  1.8588   2.0004  -2.1049  2.7077  16.403  5.9845 12.480  5.7897 3.922442       8.326762 
1 1 1 17 13 18 f 69.690  1.9658 38.263   2.1477  37.795   3.0249  38.738   3.0497  69.084  2.7930 69.944  2.7813 -0.8599091     3.941700 
1 1 1 17 13 19 o 85.738  1.7394 57.854   2.3379  57.688   3.0809  58.079   3.5896  85.486  2.2990 85.669  2.6729 -0.1829758     3.525548 
1 1 1 17 13 20 o 30.156  3.0870 7.2932   1.4388  5.7850   1.8560  9.5645   2.2776  26.422  4.6506 34.242  4.3404 -7.819855      6.361424 
1 1 1 17 13 21 o 28.260  3.3689 6.4447   1.4631  6.5745   1.9004  6.2556   2.2927  28.264  4.4349 27.221  5.5606 1.043491       7.112539 
1 1 1 17 13 22 o 10.909  4.5057 0.3138   1.2514  1.1374   1.6355  -0.8491  1.9435  13.954  5.3450 11.436  5.1502 2.518563       7.422450 
1 1 1 17 13 23 o 6.7304  3.3053 -2.4160  1.2036  -2.9423  1.5859  -1.7010  1.8484  7.8929  3.8590 10.069  4.7084 -2.175743      6.087753 
1 1 1 17 13 24 o 39.873  2.2965 12.600   1.4294  12.977   1.9125  12.123   2.1514  40.300  3.0498 38.803  3.5769 1.496944       4.700627 
1 1 1 17 13 25 o 35.930  2.4356 10.257   1.3638  11.458   1.8833  8.9315   1.9775  37.808  3.2078 33.167  3.8764 4.640499       5.031545 
1 1 1 17 13 26 o 12.926  4.6864 1.1449   1.2239  2.6116   1.6880  -0.4809  1.7772  17.790  5.4971 11.356  5.0318 6.434045       7.452374 
1 1 1 17 13 27 o 45.272  2.1677 16.188   1.5384  14.220   1.9410  19.513   2.5230  42.196  2.9529 49.362  3.2791 -7.166004      4.412727 
1 1 1 17 13 28 o 28.249  2.9644 6.4134   1.2932  6.1913   1.7091  6.7110   1.9781  27.447  4.0976 28.440  4.5932 -0.9935799     6.155268 
1 1 1 17 13 29 o 25.492  3.3458 5.2755   1.3048  4.6326   1.7401  6.1013   1.9721  23.431  4.8952 26.995  4.8378 -3.564453      6.882421 
1 1 1 17 13 30 o 85.499  1.5972 57.561   2.1407  60.094   2.9164  54.602   3.1523  87.204  2.1333 83.027  2.4219 4.177475       3.227472 
1 1 1 17 13 31 f 66.530  1.7433 34.890   1.8182  30.522   2.3445  41.482   2.8801  62.067  2.4095 72.314  2.5405 -10.24753      3.501463 
1 1 1 17 13 32 o 42.682  2.1692 14.446   1.4467  12.805   1.9140  16.632   2.2096  39.941  3.0806 45.537  3.1139 -5.596165      4.380202 
1 1 1 17 13 33 f 48.849  1.9866 18.853   1.5213  19.009   2.0504  18.663   2.2690  48.818  2.6895 48.265  3.0140 0.5530548      4.039505 
1 1 1 17 13 34 o 55.985  1.8992 24.756   1.6669  24.968   2.2568  24.501   2.4726  56.049  2.5684 55.361  2.8588 0.6879272      3.843138 
1 1 1 17 13 35 o 48.424  2.2072 18.579   1.6756  18.319   2.2645  18.894   2.4908  47.764  3.0400 48.408  3.3020 -0.6438255     4.488282 
1 1 1 17 13 36 o 77.982  1.6585 47.973   2.0275  48.514   2.7459  47.324   3.0066  78.215  2.2394 77.147  2.4860 1.068817       3.345916 
1 1 1 17 13 37 f 60.312  1.8365 28.748   1.7363  27.918   2.2966  29.856   2.6529  59.237  2.4731 61.144  2.7677 -1.907059      3.711642 
1 1 1 17 13 38 f 29.700  2.9980 7.1414   1.3768  7.6145   1.9162  6.6367   1.9794  30.258  4.1490 28.003  4.6736 2.255468       6.249543 
1 1 1 17 13 39 o 20.727  4.1830 3.6396   1.3123  5.1427   1.7742  1.8241   1.9499  24.498  4.7914 15.842  5.8863 8.656214       7.589856 
1 1 1 17 13 40 o 51.128  2.0264 20.733   1.6241  23.794   2.2822  17.592   2.3119  54.537  2.6693 46.598  3.1839 7.939545       4.154825 
1 1 1 17 13 41 o 37.935  2.4876 11.540   1.4712  11.248   1.9868  11.894   2.1890  37.065  3.4592 37.998  3.7225 -0.9327278     5.081647 
1 1 1 17 13 42 o 46.733  2.1451 17.375   1.5715  19.623   2.1858  14.969   2.2611  49.318  2.8392 42.785  3.3990 6.532547       4.428830 
1 1 1 17 13 43 o 30.222  3.1434 7.4737   1.4675  8.6225   1.8981  5.7668   2.3137  32.167  3.8401 25.197  5.9522 6.970190       7.083416 
1 1 1 17 13 44 o 38.425  2.4934 11.883   1.4939  10.170   2.0136  13.980   2.2278  34.971  3.7306 41.198  3.4821 -6.227207      5.103158 
1 1 1 17 13 45 o 49.327  2.0356 19.380   1.5741  18.383   2.1189  20.608   2.3514  47.600  2.8527 50.323  2.9941 -2.722591      4.135577 
1 1 1 17 13 46 o 14.177  4.8342 1.6614   1.2880  0.5649   1.7572  2.9342   1.8933  12.590  5.2805 18.045  5.8541 -5.454013      7.883752 
1 1 1 17 13 47 o 27.718  3.6048 6.4484   1.5293  8.1122   2.0530  4.3741   2.2923  30.677  4.3945 21.434  6.3618 9.242834       7.732005 
1 1 1 17 13 48 o 9.6429  4.3135 -0.3477  1.3383  -1.8772  1.7628  1.7334   2.0561  9.2502  4.4065 15.327  5.9599 -6.076552      7.411966 
1 1 1 17 13 49 o 34.051  2.8497 9.4966   1.5072  7.3761   2.0415  12.037   2.2345  28.968  4.6530 37.740  3.8298 -8.771967      6.026435 
1 1 1 17 13 50 o 37.663  2.7288 11.580   1.6002  11.221   2.2607  11.941   2.2653  36.227  4.0501 37.483  3.9128 -1.256550      5.631461 
1 1 1 17 13 51 o 14.013  4.9267 1.6374   1.3418  -0.2147  2.0007  3.1516   1.8090  11.848  5.2889 18.346  5.6944 -6.497683      7.771677 
1 1 1 17 13 52 o 22.666  4.1305 4.4882   1.4136  3.4939   2.1093  5.2990   1.9047  19.061  6.1784 24.001  5.2117 -4.939308      8.082946 
1 1 1 17 13 53 o 38.995  2.4305 12.341   1.4784  14.361   2.1265  10.452   2.0568  41.497  3.2959 35.015  3.8084 6.482044       5.036534 
1 1 1 17 13 54 o 40.211  2.4722 13.151   1.5509  13.295   2.2354  13.018   2.1535  39.613  3.6404 39.278  3.5352 0.3345070      5.074466 
1 1 1 17 13 55 o 20.146  4.6862 3.7024   1.4521  3.6728   2.0730  3.7309   2.0347  19.320  6.1108 19.494  6.0372 -0.1746464     8.590111 
1 1 1 17 13 56 o 9.3394  4.2599 -0.5520  1.3818  -1.1946  1.9466  0.1008   1.9618  10.355  4.8391 12.006  5.3047 -1.650182      7.180322 
1 1 1 17 13 57 o 13.181  4.9073 1.4086   1.3566  -0.9156  1.8487  4.1202   1.9968  10.333  4.7902 20.308  5.9131 -9.974640      7.609930 
1 1 1 17 13 58 o 30.933  3.0050 8.0311   1.4388  10.024   2.0796  6.2011   1.9927  33.766  4.0068 25.591  5.1455 8.174812       6.521533 
1 1 1 17 13 59 o 12.118  4.8377 1.0165   1.3863  2.2219   2.1042  0.0921   1.8427  15.540  6.0329 11.480  5.1033 4.059802       7.901902 
1 1 1 17 14 0  o 10.894  6.6128 0.9168   2.0992  0.9168   2.0992  0.9168   2.0992  10.894  6.6128 10.894  6.6128 0.000000       0.000000 
1 1 1 17 14 1  o 49.960  2.4024 19.716   1.8816  21.175   2.6907  18.319   2.6321  51.486  3.3520 47.821  3.5361 3.664948       4.872373 
1 1 1 17 14 2  o 60.651  2.1734 29.017   2.0665  32.420   2.9418  25.702   2.9034  63.944  2.9347 56.764  3.2767 7.179207       4.398729 
1 1 1 17 14 3  o 85.093  2.1808 57.120   2.9092  59.118   3.5836  53.257   4.9820  86.440  2.6445 81.600  3.8946 4.840050       4.707591 
1 1 1 17 14 4  f 34.317  3.5992 9.4890   1.9075  9.6531   2.6351  9.3085   2.7647  34.173  5.0727 33.411  5.4676 0.7620010      7.458298 
1 1 1 17 14 5  o 57.793  2.4516 26.394   2.2212  26.184   3.1402  26.604   3.1423  57.216  3.5180 57.683  3.4913 -0.4670525     4.956374 
1 1 1 17 14 6  o 47.974  2.5554 18.251   1.9149  18.114   2.9604  18.349   2.5110  47.394  4.0225 47.902  3.3652 -0.5079880     5.244503 
1 1 1 17 14 7  o 55.274  2.1396 24.098   1.8540  24.733   2.6339  23.475   2.6100  55.744  3.0254 54.289  3.0794 1.454903       4.316917 
1 1 1 17 14 8  o 42.902  2.3027 14.574   1.5431  14.226   2.2155  14.902   2.1504  42.141  3.3821 43.184  3.1993 -1.042984      4.655531 
1 1 1 17 14 9  o 31.022  3.1145 7.7186   1.4942  7.6938   2.0016  7.7497   2.2456  30.668  4.2799 30.610  4.8406 0.5795860E-01  6.461353 
1 1 1 17 14 10 f 91.561  1.6710 65.970   2.3985  67.196   3.4121  64.774   3.3722  92.228  2.3600 90.546  2.3757 1.682083       3.348632 
1 1 1 17 14 11 o 63.209  1.7150 31.449   1.6994  33.936   2.4604  29.179   2.3500  65.532  2.3950 60.751  2.4675 4.781395       3.438698 
1 1 1 17 14 12 o 59.000  1.7744 27.408   1.6412  25.414   2.3172  29.416   2.3249  56.664  2.6086 61.002  2.4311 -4.337734      3.565787 
1 1 1 17 14 13 o 14.758  4.7400 1.7308   1.2436  2.8219   1.7753  0.6796   1.7426  18.460  5.6260 13.262  5.3781 5.197694       7.783034 
1 1 1 17 14 14 o 8.7363  3.9409 -0.5601  1.1435  -0.5574  1.6550  -0.5626  1.5817  10.821  4.8218 10.542  4.7044 0.2791214      6.736499 
1 1 1 17 14 15 o 25.683  3.1473 5.3215   1.2407  7.3064   1.7533  3.3307   1.7559  29.981  3.8169 19.854  5.4677 10.12756       6.668206 
1 1 1 17 14 16 o 13.227  4.6971 1.2468   1.2226  -1.3820  1.6149  4.7769   1.8713  9.5506  4.4443 23.784  5.1666 -14.23364      6.815122 
1 1 1 17 14 17 o 33.491  2.5659 8.9314   1.3369  8.2123   1.7557  9.9239   2.0626  31.868  3.5760 34.996  3.8217 -3.128439      5.233860 
1 1 1 17 14 18 o 14.591  4.7443 1.6841   1.2433  3.2263   1.7055  -0.0649  1.8162  19.533  5.3925 12.133  5.2362 7.399853       7.516428 
1 1 1 17 14 19 o 64.634  1.7653 32.909   1.7887  34.063   2.4589  31.612   2.6068  65.622  2.3902 63.156  2.6329 2.465755       3.556036 
1 1 1 17 14 20 f 11.552  4.5331 0.6701   1.1979  0.1461   1.5718  1.3960   1.8503  11.675  4.9504 14.991  5.6985 -3.315589      7.548450 
1 1 1 17 14 21 o 33.368  2.6178 8.8796   1.3584  8.8229   1.8432  8.9471   2.0095  33.005  3.6220 33.141  3.9454 -0.1363068     5.355837 
1 1 1 17 14 22 o 57.182  1.9010 25.788   1.7041  27.101   2.3087  24.216   2.5258  58.484  2.5181 55.103  2.9346 3.380844       3.866851 
1 1 1 17 14 23 o 13.151  4.7115 1.2248   1.2327  0.6507   1.6505  1.9487   1.8536  12.881  5.2304 16.228  5.7814 -3.346498      7.796202 
1 1 1 17 14 24 o 58.734  1.8472 27.207   1.7009  27.542   2.3244  26.820   2.4955  58.940  2.5156 58.101  2.7397 0.8392296      3.719473 
1 1 1 17 14 25 f 24.508  3.3848 4.8928   1.2657  5.9372   1.7485  3.7430   1.8346  26.758  4.3151 20.889  5.5194 5.868921       7.006007 
1 1 1 17 14 26 o 72.534  1.6688 41.460   1.8975  39.692   2.5238  43.760   2.8779  70.809  2.2736 74.282  2.4714 -3.473289      3.358146 
1 1 1 17 14 27 o 58.818  1.9120 27.314   1.7630  28.611   2.3012  25.472   2.7431  60.060  2.4441 56.383  3.1155 3.676975       3.959808 
1 1 1 17 14 28 o 49.214  2.0456 19.149   1.5782  16.953   2.1043  21.971   2.3858  46.011  2.9327 52.408  2.9155 -6.397072      4.135279 
1 1 1 17 14 29 o 37.919  2.4509 11.461   1.4491  10.911   1.9392  12.157   2.1806  36.708  3.4088 38.680  3.6388 -1.971992      4.986063 
1 1 1 17 14 30 o 13.616  4.9030 1.3349   1.3365  1.2696   1.8289  1.4098   1.9579  14.532  5.6293 15.103  5.8316 -0.5704527     8.105403 
1 1 1 17 14 31 o 10.695  4.5538 0.1060   1.3397  -1.3673  1.7683  2.0912   2.0526  10.054  4.6691 16.705  6.0670 -6.651178      7.655679 
1 1 1 17 14 32 o 24.462  3.7434 4.9491   1.3899  4.8280   1.9737  5.0683   1.9576  23.558  5.4523 24.199  5.3064 -0.6415558     7.608236 
1 1 1 17 14 33 o 14.822  4.9349 1.7680   1.3422  1.3945   1.8443  2.1886   1.9571  14.759  5.6704 16.729  5.9427 -1.970691      8.213957 
1 1 1 17 14 34 o 13.331  4.8707 1.2639   1.3258  1.1344   1.8518  1.4000   1.8990  14.205  5.6163 14.854  5.7412 -0.6487103     8.031440 
1 1 1 17 14 35 o 23.501  4.1288 4.6493   1.4656  5.7009   2.0476  3.5445   2.0988  25.597  5.2781 20.040  6.1191 5.556553       8.080986 
1 1 1 17 14 36 f 33.141  2.9815 8.8996   1.5325  8.5582   2.1632  9.2436   2.1712  31.875  4.4506 33.235  4.2658 -1.360374      6.164817 
1 1 1 17 14 37 o 52.596  2.0647 21.970   1.7024  22.224   2.4171  21.721   2.3981  52.467  2.9507 51.863  2.9618 0.6043854      4.180765 
1 1 1 17 14 38 o 30.798  3.0414 7.7267   1.4492  10.675   2.0812  4.9510   2.0193  35.919  3.7514 23.556  5.5579 12.36262       6.705428 
1 1 1 17 14 39 o 28.155  3.3686 6.5365   1.4573  3.7376   2.0166  9.5961   2.1084  20.320  5.9497 33.842  4.0548 -13.52289      7.200038 
1 1 1 17 14 40 o 16.068  4.9421 2.2359   1.3662  0.8806   1.9411  3.5661   1.9231  13.705  5.6307 19.838  5.8106 -6.132406      8.091214 
1 1 1 17 14 41 o 12.327  4.8028 0.9345   1.3372  2.8974   1.9543  -0.7936  1.8337  18.046  5.9522 10.785  4.9145 7.260657       7.718936 
1 1 1 17 14 42 f 12.755  4.9204 1.0691   1.3928  0.7207   1.9303  1.4474   2.0115  13.301  5.5531 14.813  5.8544 -1.511381      8.069197 
1 1 1 17 14 43 o 13.791  5.0252 1.4748   1.4099  -0.0382  1.9542  3.1172   2.0360  12.107  5.3244 18.465  6.0746 -6.358347      8.077742 
1 1 1 17 14 44 o 47.051  2.3310 17.780   1.7193  17.690   2.4429  17.868   2.4203  46.208  3.3961 46.479  3.3440 -0.2711678     4.766136 
1 1 1 17 14 45 o 12.694  4.9764 1.0385   1.4425  -0.2350  2.0984  2.1794   1.9861  12.145  5.4192 16.126  5.9507 -3.980927      8.048569 
1 1 1 17 14 46 o 60.047  1.9135 28.773   1.8012  28.380   2.6905  29.091   2.4248  58.954  2.9112 59.946  2.5803 -0.9923134     3.890121 
1 1 1 17 14 47 o 19.219  4.6934 3.3318   1.4019  1.6979   2.0477  4.7730   1.9232  15.098  5.9260 22.615  5.4818 -7.516881      8.072651 
1 1 1 17 14 48 o 10.737  4.6620 0.0991   1.4574  0.8401   2.2527  -0.4343  1.9113  13.917  5.9148 11.282  5.0916 2.635638       7.804419 
1 1 1 17 14 49 o 23.646  4.4700 4.9688   1.5963  4.8821   2.3919  5.0384   2.1434  22.108  6.4817 22.847  5.9321 -0.7386875     8.786428 
1 1 1 17 14 50 o 35.328  3.0116 10.338   1.6519  7.6335   2.3450  13.002   2.3275  28.672  5.4156 39.003  3.8571 -10.33092      6.648773 
1 1 1 17 14 51 o 32.854  2.9927 8.9561   1.5245  11.934   2.3021  6.6303   2.0344  37.183  4.0130 26.940  5.0012 10.24310       6.412171 
1 1 1 17 14 52 o 50.982  2.2169 20.970   1.7718  23.768   2.6360  18.663   2.3930  53.421  3.1616 47.240  3.2511 6.180679       4.534915 
1 1 1 17 14 53 o 11.102  4.6511 0.5009   1.3609  1.2046   2.0154  -0.0888  1.8451  13.856  5.7202 11.425  5.0911 2.431310       7.657638 
1 1 1 17 14 54 o 20.312  4.8937 3.8616   1.5399  3.3627   1.9848  4.6159   2.4406  18.367  5.9955 20.927  6.6317 -2.560364      8.940100 
1 1 1 17 14 55 o 21.825  4.9710 4.4994   1.6628  4.4507   2.2789  4.5548   2.4317  20.580  6.3918 20.625  6.6284 -0.4440498E-01 9.208218 
1 1 1 17 14 56 o 13.102  5.2960 1.2270   1.6840  -1.7975  2.7637  3.0130   2.1238  11.611  5.5273 17.210  6.1823 -5.598847      8.292884 
1 1 1 17 14 57 o 15.098  5.4482 2.1759   1.6514  -0.0648  2.8668  3.2887   2.0202  13.203  6.0646 17.707  6.0543 -4.504024      8.569362 
1 1 1 17 15 0  o 121.024 2.1515 115.254  4.0791  115.254  4.0791  115.254  4.0791  121.024 2.1515 121.024 2.1515 0.000000       0.000000 
1 1 1 17 15 1  o 42.599  2.3986 14.400   1.5953  13.037   2.2243  15.843   2.2893  40.226  3.5641 44.452  3.3088 -4.226448      4.863243 
1 1 1 17 15 2  o 65.454  1.7422 33.746   1.7877  33.538   2.5135  33.958   2.5432  65.095  2.4631 65.498  2.4768 -0.4031830     3.493067 
1 1 1 17 15 3  o 52.125  2.0992 21.448   1.7154  23.794   2.4667  19.251   2.3871  54.656  2.8891 49.080  3.1187 5.576294       4.251247 
1 1 1 17 15 4  o 42.322  2.4550 14.223   1.6218  14.293   2.3202  14.157   2.2679  42.135  3.5455 41.953  3.4798 0.1821671      4.967869 
1 1 1 17 15 5  o 26.531  3.8237 5.7552   1.5444  6.4977   2.0650  4.8127   2.3265  27.887  4.9026 23.619  6.2035 4.267471       7.906841 
1 1 1 17 15 6  o 67.620  2.2716 36.143   2.4080  38.866   3.7714  34.269   3.1289  69.740  3.4496 65.626  3.0413 4.114326       4.598803 
1 1 1 17 15 7  o 57.252  2.2149 25.900   1.9879  26.771   2.7774  24.985   2.8466  57.916  3.0700 55.879  3.2637 2.036617       4.480699 
1 1 1 17 15 8  o 85.258  1.9310 57.330   2.5809  55.610   3.6376  59.073   3.6624  83.697  2.7724 86.289  2.7074 -2.591499      3.875048 
1 1 1 17 15 9  o 72.735  1.8050 41.694   2.0582  42.668   2.9752  40.801   2.8503  73.370  2.5867 71.763  2.5336 1.607025       3.620762 
1 1 1 17 15 10 o 8.1371  3.8519 -1.4817  1.3055  -1.0525  1.8757  -1.8850  1.8183  10.900  4.9683 9.7355  4.5893 1.164470       6.763584 
1 1 1 17 15 11 o 24.653  3.9364 5.0011   1.4701  4.4677   2.2357  5.4075   1.9514  22.754  6.1299 25.302  5.0958 -2.547831      7.971374 
1 1 1 17 15 12 o 13.590  4.9565 1.2676   1.3720  -1.4553  2.1019  3.2890   1.8111  11.182  5.1570 19.677  5.6020 -8.494288      7.614280 
1 1 1 17 15 13 o 52.604  2.2293 21.880   1.8384  21.270   2.8185  22.331   2.4254  51.423  3.5174 52.898  2.9363 -1.475338      4.581912 
1 1 1 17 15 14 o 65.099  2.1282 33.487   2.1719  33.279   3.0871  33.691   3.0563  64.625  3.0471 65.041  2.9975 -0.4153976     4.274330 
1 1 1 17 15 15 o 14.259  5.0563 1.4851   1.4162  1.4137   2.0723  1.5476   1.9400  15.462  5.9914 15.463  5.8453 -0.7581711E-03 8.370452 
1 1 1 17 15 16 o 13.826  4.9644 1.3637   1.3693  0.7552   2.0087  1.8919   1.8715  14.050  5.7449 16.098  5.8014 -2.048040      8.164589 
1 1 1 17 15 17 o 49.339  2.3364 19.278   1.8071  20.298   2.7686  18.520   2.3854  50.181  3.5421 48.051  3.1847 2.130196       4.763294 
1 1 1 17 15 18 o 54.426  2.0494 23.406   1.7486  24.480   2.5483  22.451   2.4038  55.349  2.9475 53.014  2.9035 2.334705       4.137385 
1 1 1 17 15 19 o 43.473  2.3561 15.018   1.5997  17.551   2.3020  12.653   2.2247  46.761  3.1587 39.512  3.6323 7.248489       4.813632 
1 1 1 17 15 20 o 48.140  2.2004 18.343   1.6606  16.457   2.3020  20.388   2.3977  45.225  3.2690 50.443  3.0464 -5.217278      4.468443 
1 1 1 17 15 21 o 77.722  1.7877 47.663   2.1782  47.362   3.0664  47.969   3.0946  77.220  2.5330 77.710  2.5402 -0.4897995     3.587334 
1 1 1 17 15 22 f 51.578  2.1548 21.059   1.7423  21.106   2.4708  21.013   2.4572  51.285  3.0876 51.174  3.0772 0.1105042      4.359227 
1 1 1 17 15 23 o 45.859  2.1301 16.649   1.5314  18.160   2.1276  15.025   2.2059  47.624  2.8631 43.157  3.2851 4.467552       4.357646 
1 1 1 17 15 24 o 53.634  1.9433 22.741   1.6339  23.248   2.2109  22.132   2.4254  54.044  2.6096 52.540  2.9568 1.504433       3.943649 
1 1 1 17 15 25 o 35.824  2.5135 10.256   1.4027  9.0996   1.8908  11.672   2.0918  33.365  3.6759 37.876  3.5648 -4.510990      5.120553 
1 1 1 17 15 26 o 33.376  2.7245 8.9447   1.4131  9.9439   1.9087  7.7330   2.1020  34.929  3.5344 30.369  4.5557 4.560207       5.765983 
1 1 1 17 15 27 o 19.862  4.3541 3.3538   1.3184  2.8442   1.7588  4.0073   1.9917  18.223  5.6081 21.348  5.8003 -3.124924      8.068101 
1 1 1 17 15 28 o 43.014  2.4209 14.770   1.6258  14.998   2.2761  14.532   2.3232  42.971  3.4067 42.235  3.5414 0.7357025      4.913967 
1 1 1 17 15 29 o 27.212  3.4335 6.0753   1.4321  5.9122   1.9891  6.2508   2.0637  26.213  5.0233 26.949  5.0709 -0.7359333     7.137730 
1 1 1 17 15 30 o 14.179  5.0480 1.5235   1.4130  2.4034   2.1227  0.8234   1.8934  17.330  6.1854 13.661  5.5808 3.668935       8.330945 
1 1 1 17 15 31 o 46.465  2.4370 17.266   1.7690  15.562   2.3248  19.609   2.7263  43.684  3.4221 48.981  3.5753 -5.296257      4.949104 
1 1 1 17 15 32 o 48.095  2.2400 18.414   1.6889  17.558   2.3937  19.262   2.3833  46.440  3.3096 48.743  3.1356 -2.302704      4.559122 
1 1 1 17 15 33 f 45.098  2.3429 16.267   1.6507  15.878   2.3232  16.664   2.3458  44.078  3.3881 45.189  3.3350 -1.110741      4.754053 
1 1 1 17 15 34 o 61.590  1.9456 30.117   1.8785  30.745   2.6284  29.462   2.6857  61.860  2.7104 60.487  2.8323 1.372707       3.920248 
1 1 1 17 15 35 o 66.291  2.0114 34.944   2.0903  35.904   2.7883  33.712   3.1585  66.838  2.6611 64.465  3.1253 2.373024       4.104795 
1 1 1 17 15 36 o 31.862  3.0168 8.2950   1.4889  9.5807   2.1326  7.0724   2.0797  33.699  4.1229 28.522  4.8233 5.177387       6.345233 
1 1 1 17 15 37 o 30.674  3.1949 7.7448   1.5138  9.9041   2.1634  5.6734   2.1189  34.222  4.1150 25.032  5.5457 9.190163       6.905665 
1 1 1 17 15 38 o 43.518  2.2798 15.205   1.5499  13.734   2.0854  17.021   2.3167  40.835  3.2854 45.492  3.2703 -4.657558      4.635620 
1 1 1 17 15 39 o 9.8709  4.3414 -0.1400  1.2996  1.2279   1.8396  -1.5027  1.8361  13.991  5.5767 9.8980  4.6490 4.092511       7.260383 
1 1 1 17 15 40 o 47.845  2.1611 18.328   1.6209  17.675   2.2041  19.097   2.3921  46.419  3.0457 48.157  3.1866 -1.737511      4.408045 
1 1 1 17 15 41 f 26.133  3.5995 5.7698   1.4355  4.4249   1.9799  7.2602   2.0843  21.705  5.7334 28.615  4.8175 -6.910814      7.488662 
1 1 1 17 15 42 o 23.817  4.3966 4.9869   1.5811  3.7732   2.1007  6.5730   2.4014  19.841  6.1326 26.335  5.9562 -6.493847      8.549004 
1 1 1 17 15 43 o 33.606  3.1699 9.3810   1.6503  8.7687   2.1680  10.224   2.5446  31.615  4.5014 33.819  4.9458 -2.204037      6.687623 
1 1 1 17 15 44 f 11.013  4.7772 0.1399   1.5273  -0.5345  2.0543  0.9733   2.2836  11.536  5.2355 14.163  5.9840 -2.627282      7.950971 
1 1 1 17 15 45 o 20.847  4.5239 3.9016   1.4360  5.7077   2.1710  2.4968   1.9146  24.461  5.7573 16.585  5.8793 7.875837       8.228756 
1 1 1 17 15 46 o 16.583  5.0776 2.5307   1.4439  2.6011   1.9019  2.4348   2.2185  16.787  5.8674 16.589  6.2557 0.1985798      8.576688 
1 1 1 17 15 47 o 20.654  4.6990 3.8869   1.4872  5.2515   2.0552  2.3870   2.1547  23.415  5.6614 16.403  6.1692 7.012379       8.373218 
1 1 1 17 15 48 o 26.690  3.9368 6.1898   1.5977  4.6989   2.2594  7.6811   2.2597  21.612  6.2890 28.817  5.1930 -7.205101      8.155932 
1 1 1 17 15 49 o 28.275  3.7608 6.8976   1.6257  6.6672   2.3635  7.1045   2.2397  26.134  5.9076 27.460  5.3952 -1.325811      8.000503 
1 1 1 17 15 50 o 10.052  4.5328 -0.3466  1.5110  -1.1226  2.2386  0.3028   2.0479  11.184  5.2139 12.443  5.4619 -1.259130      7.550920 
1 1 1 17 15 51 o 9.7616  4.4351 -0.4521  1.4794  -1.0247  2.0855  0.1282   2.0991  10.839  5.0462 12.253  5.4469 -1.413527      7.425182 
1 1 1 17 15 52 o 10.789  4.6358 0.3246   1.4115  -0.3174  1.9012  1.1132   2.1071  11.125  5.0441 13.647  5.7559 -2.522232      7.653296 
1 1 1 17 15 53 o 31.769  3.1742 8.5785   1.5597  7.8907   2.1757  9.3055   2.2370  28.926  4.9775 31.804  4.6221 -2.877939      6.792589 
1 1 1 17 15 54 o 17.864  4.9633 3.1106   1.4398  2.9276   2.0126  3.3025   2.0606  16.846  6.0219 17.686  6.1114 -0.8397884     8.579779 
1 1 1 17 16 0  o 8.3292  5.5470 -0.5324  1.9561  -0.5324  1.9561  -0.5324  1.9561  8.3292  5.5470 8.3292  5.5470 0.000000       0.000000 
1 1 1 17 16 1  o 66.660  1.7458 35.041   1.8243  38.801   2.6421  31.614   2.5221  69.956  2.4092 63.102  2.5496 6.853897       3.507758 
1 1 1 17 16 2  o 21.817  3.9127 3.9504   1.2890  5.6179   1.9065  2.5461   1.7496  25.790  4.8945 17.553  5.6205 8.237019       7.452950 
1 1 1 17 16 3  o 41.842  2.2671 13.903   1.4816  11.894   2.0921  15.925   2.0985  38.333  3.5207 44.573  3.0210 -6.239723      4.639158 
1 1 1 17 16 4  o 59.724  1.8224 28.145   1.7062  26.217   2.3884  30.154   2.4383  57.430  2.6529 61.632  2.5237 -4.202061      3.661517 
1 1 1 17 16 5  o 15.111  4.7849 1.8603   1.2707  2.2298   1.7855  1.4810   1.8089  16.756  5.6918 15.000  5.6505 1.756388       8.020275 
1 1 1 17 16 6  o 60.394  1.8696 28.792   1.7701  28.312   2.3894  29.376   2.6352  59.707  2.5527 60.749  2.7670 -1.042370      3.764693 
1 1 1 17 16 7  o 35.132  2.4959 9.8447   1.3657  7.6806   1.9210  12.056   1.9419  30.533  4.1184 38.682  3.2319 -8.149088      5.235133 
1 1 1 17 16 8  o 90.705  1.6396 64.847   2.3314  64.831   3.1491  64.867   3.4683  90.486  2.2200 90.414  2.4470 0.7252502E-01  3.303928 
1 1 1 17 16 9  o 36.452  2.5037 10.599   1.4221  9.9437   2.0231  11.239   1.9993  34.925  3.7540 37.256  3.4628 -2.330395      5.107233 
1 1 1 17 16 10 o 41.811  2.2167 13.883   1.4478  13.026   1.9847  14.857   2.1166  40.223  3.1733 42.976  3.1640 -2.752403      4.481153 
1 1 1 17 16 11 o 68.474  1.6624 36.968   1.7845  38.180   2.5392  35.785   2.5083  69.389  2.3342 67.161  2.3824 2.228081       3.335327 
1 1 1 17 16 12 o 30.534  2.8611 7.4988   1.3535  7.2641   1.8835  7.7494   1.9465  29.633  4.1698 30.625  4.1622 -0.9924240     5.891628 
1 1 1 17 16 13 o 44.612  2.0871 15.750   1.4596  17.276   2.0593  14.209   2.0692  46.453  2.8414 42.004  3.1656 4.449165       4.253830 
1 1 1 17 16 14 o 49.756  1.9977 19.579   1.5582  17.716   2.1806  21.522   2.2275  46.988  2.9757 51.893  2.7480 -4.905231      4.050409 
1 1 1 17 16 15 o 107.487 1.6465 91.121   2.7744  88.637   3.8574  93.783   3.9934  105.686 2.3282 108.702 2.3434 -3.015953      3.303347 
1 1 1 17 16 16 o 19.516  4.6512 3.2529   1.4029  3.6507   1.9941  2.8631   1.9739  20.471  5.8944 18.440  5.9768 2.030720       8.394415 
1 1 1 17 16 17 o 42.779  2.2634 14.559   1.5125  15.340   2.1482  13.791   2.1301  43.614  3.1633 41.283  3.3194 2.331417       4.585313 
1 1 1 17 16 18 o 30.943  3.0155 7.7395   1.4442  8.3790   1.9810  7.0140   2.1099  31.833  4.0622 28.769  4.8510 3.064938       6.327180 
1 1 1 17 16 19 o 21.110  4.1737 3.7584   1.3322  2.8747   1.9260  4.5691   1.8448  18.387  5.8980 22.955  5.2416 -4.567921      7.890602 
1 1 1 17 16 20 o 76.773  1.8515 46.609   2.2284  47.083   2.9613  45.990   3.3837  76.907  2.4562 75.810  2.8472 1.097031       3.760205 
1 1 1 17 16 21 o 44.835  2.4768 16.059   1.7341  16.914   2.2819  14.890   2.6679  45.731  3.2032 42.501  4.0533 3.230255       5.166224 
1 1 1 17 16 22 o 27.343  3.3394 6.1194   1.4017  5.8571   1.8938  6.4372   2.0845  26.185  4.7899 27.367  5.0446 -1.182230      6.956352 
1 1 1 17 16 23 o 45.496  2.1916 16.445   1.5631  18.217   2.1093  14.286   2.3279  47.591  2.8402 41.802  3.5870 5.788948       4.575317 
1 1 1 17 16 24 o 38.978  2.5032 12.173   1.5215  15.836   2.1203  8.2854   2.1846  44.243  3.0761 31.296  4.5891 12.94641       5.524715 
1 1 1 17 16 25 o 11.501  4.7358 0.4764   1.3770  1.5548   1.9146  -0.6791  1.9819  15.125  5.7854 11.527  5.1951 3.597852       7.775587 
1 1 1 17 16 26 o 33.361  2.8767 9.0102   1.4898  9.1950   2.0687  8.8112   2.1472  33.197  4.0597 32.351  4.3436 0.8467216      5.945372 
1 1 1 17 16 27 o 13.181  4.8975 1.2219   1.3499  1.1089   1.9126  1.3340   1.9054  14.160  5.6720 14.592  5.7197 -0.4316092     8.055211 
1 1 1 17 16 28 o 15.203  5.2400 1.8814   1.5144  2.7500   2.0729  0.8871   2.2177  17.903  6.1326 14.403  5.9775 3.500235       8.563826 
1 1 1 17 16 29 o 24.022  4.3361 4.9406   1.5728  4.1169   2.0893  6.0180   2.3895  21.243  6.0062 25.678  6.0376 -4.435043      8.516264 
1 1 1 17 16 30 o 42.549  2.6044 14.594   1.7288  15.551   2.3555  13.475   2.5455  43.463  3.4864 40.069  4.1105 3.393635       5.389902 
1 1 1 17 16 31 o 43.492  2.6979 15.293   1.8304  13.659   2.2385  18.590   3.1795  40.643  3.5490 46.850  4.3799 -6.206802      5.637280 
1 1 1 17 16 32 o 34.264  3.1987 9.6513   1.6983  6.3843   2.2732  13.779   2.5550  26.520  5.6412 40.432  4.0871 -13.91183      6.966147 
1 1 1 17 16 33 o 28.280  3.9109 6.7692   1.6874  4.9962   2.3711  8.5887   2.4019  22.937  6.3681 31.175  5.0905 -8.237452      8.152665 
1 1 1 17 16 34 o 16.524  5.6269 2.3898   1.7450  2.6265   2.2729  2.0499   2.7235  17.439  6.3766 16.850  6.7617 0.5888405      9.294164 
1 1 1 17 16 35 o 13.119  5.4011 0.8537   1.7906  -2.5057  2.5692  4.0270   2.4970  11.105  5.2983 20.429  6.7276 -9.323953      8.563449 
1 1 1 17 16 36 o 29.802  4.2812 7.6815   1.9427  7.4741   2.7205  7.8973   2.7752  27.892  6.3626 28.719  6.3343 -0.8274746     8.978044 
1 1 1 17 16 37 o 42.466  3.2056 14.929   2.1183  17.459   3.0553  12.587   2.9396  44.931  4.3939 37.473  5.1394 7.457119       6.761589 
1 1 1 17 16 38 f 26.274  4.3720 6.0544   1.7375  4.7356   2.4097  7.4827   2.5077  21.852  6.5311 28.153  5.8720 -6.300745      8.782661 
1 1 1 17 16 39 o 26.522  4.5776 6.2452   1.8345  6.7253   2.4237  5.6012   2.8070  26.499  5.9768 23.273  7.0700 3.225824       9.257826 
1 1 1 17 16 40 o 56.666  2.5699 26.086   2.2829  27.402   3.0999  24.525   3.3746  57.168  3.4754 53.449  4.0576 3.718422       5.342525 
1 1 1 17 16 41 o 24.328  5.7192 5.6597   2.1444  8.0401   2.8528  2.5678   3.2514  28.376  6.5464 17.616  7.2681 10.76077       9.781675 
1 1 1 17 16 42 o 13.466  5.5305 1.0806   1.8718  -0.6189  2.5028  3.2381   2.8199  12.456  5.7010 18.341  7.0199 -5.884998      9.043230 
1 1 1 17 16 43 o 26.807  4.1467 6.3059   1.6864  5.2708   2.4953  7.1760   2.2879  22.644  6.6150 27.597  5.4815 -4.953592      8.590992 
1 1 1 17 16 44 o 35.033  3.3361 10.345   1.8101  9.1418   2.7144  11.308   2.4289  30.855  5.8253 35.731  4.4314 -4.875797      7.319288 
1 1 1 17 16 45 o 21.102  4.5970 4.0638   1.4777  4.2389   2.1677  3.9117   2.0198  20.479  6.2112 19.824  5.9917 0.6550503      8.630185 
1 1 1 17 16 46 o 14.296  5.1155 1.7860   1.4527  2.1745   2.1192  1.4416   1.9953  15.744  6.0706 14.195  5.7553 1.549111       8.365142 
1 1 1 17 16 47 o 12.312  4.8522 1.0599   1.3780  1.2091   1.9536  0.9122   1.9440  13.648  5.6327 13.116  5.5302 0.5315657      7.893726 
1 1 1 17 16 48 o 40.190  2.5186 13.272   1.5788  13.960   2.2381  12.590   2.2275  40.302  3.5796 38.070  3.7824 2.232578       5.207754 
1 1 1 17 16 49 o 8.2096  3.9055 -1.3327  1.3750  -1.7099  1.9377  -0.9501  1.9516  9.6618  4.6074 10.466  4.8754 -0.8042784     6.708041 
1 1 1 17 16 50 o 12.265  4.8519 1.1047   1.3827  0.2923   1.9519  1.9231   1.9591  11.955  5.2864 14.746  5.7937 -2.790261      7.843010 
1 1 1 17 16 51 o 8.7581  4.0802 -0.8003  1.3675  -1.0499  1.9383  -0.5530  1.9295  10.200  4.7864 10.727  4.9448 -0.5262480     6.881940 
1 1 1 17 16 52 o 17.080  4.9294 2.8905   1.3932  2.2441   1.9386  3.5809   2.0036  15.111  5.8117 18.129  6.0290 -3.018143      8.374045 
1 1 1 17 17 0  f 64.299  3.5012 32.885   3.5052  32.885   3.5052  32.885   3.5052  64.299  3.5012 64.299  3.5012 0.000000       0.000000 
1 1 1 17 17 1  f 7.5859  5.1177 -0.7308  1.7654  -0.7308  1.7654  -0.7308  1.7654  7.5859  5.1177 7.5859  5.1177 0.000000       0.000000 
1 1 1 17 17 2  o 10.856  6.2811 1.2225   1.7367  1.2225   1.7367  1.2225   1.7367  10.856  6.2811 10.856  6.2811 0.000000       0.000000 
1 1 1 17 17 3  o 11.970  6.6070 1.6450   1.8057  1.6450   1.8057  1.6450   1.8057  11.970  6.6070 11.970  6.6070 0.000000       0.000000 
1 1 1 17 17 4  o 8.4062  5.4840 -0.1085  1.7637  -0.1085  1.7637  -0.1085  1.7637  8.4062  5.4840 8.4062  5.4840 0.000000       0.000000 
1 1 1 17 17 5  o 18.532  7.2523 3.8219   2.0154  3.8219   2.0154  3.8219   2.0154  18.532  7.2523 18.532  7.2523 0.000000       0.000000 
1 1 1 17 17 6  o 69.683  2.3969 38.414   2.6113  38.414   2.6113  38.414   2.6113  69.683  2.3969 69.683  2.3969 0.000000       0.000000 
1 1 1 17 17 7  o 35.432  3.5723 10.259   1.9380  10.259   1.9380  10.259   1.9380  35.432  3.5723 35.432  3.5723 0.000000       0.000000 
1 1 1 17 17 8  o 51.592  3.1131 21.295   2.4969  21.295   2.4969  21.295   2.4969  51.592  3.1131 51.592  3.1131 0.000000       0.000000 
1 1 1 17 17 9  o 36.461  3.5459 10.844   1.9828  10.844   1.9828  10.844   1.9828  36.461  3.5459 36.461  3.5459 0.000000       0.000000 
1 1 1 17 17 10 o 8.3162  5.4511 -0.1804  1.7735  -0.1804  1.7735  -0.1804  1.7735  8.3162  5.4511 8.3162  5.4511 0.000000       0.000000 
1 1 1 17 17 11 o 53.556  2.7234 22.834   2.2731  22.834   2.2731  22.834   2.2731  53.556  2.7234 53.556  2.7234 0.000000       0.000000 
1 1 1 17 17 12 o 48.613  2.8908 18.886   2.1852  18.886   2.1852  18.886   2.1852  48.613  2.8908 48.613  2.8908 0.000000       0.000000 
1 1 1 17 17 13 o 9.9321  6.0922 0.7331   1.8244  0.7331   1.8244  0.7331   1.8244  9.9321  6.0922 9.9321  6.0922 0.000000       0.000000 
1 1 1 17 17 14 o 20.495  6.5328 4.2824   1.8489  4.2824   1.8489  4.2824   1.8489  20.495  6.5328 20.495  6.5328 0.000000       0.000000 
1 1 1 17 17 15 o 41.647  3.3111 14.021   2.1303  14.021   2.1303  14.021   2.1303  41.647  3.3111 41.647  3.3111 0.000000       0.000000 
1 1 1 17 17 16 o 14.131  6.8346 2.4197   1.7639  2.4197   1.7639  2.4197   1.7639  14.131  6.8346 14.131  6.8346 0.000000       0.000000 
1 1 1 17 17 17 o 7.8058  5.2375 -0.5995  1.8021  -0.5995  1.8021  -0.5995  1.8021  7.8058  5.2375 7.8058  5.2375 0.000000       0.000000 
1 1 1 17 17 18 o 64.284  2.5643 32.813   2.5749  32.813   2.5749  32.813   2.5749  64.284  2.5643 64.284  2.5643 0.000000       0.000000 
1 1 1 17 17 19 o 26.272  4.8800 6.0735   1.8062  6.0735   1.8062  6.0735   1.8062  26.272  4.8800 26.272  4.8800 0.000000       0.000000 
1 1 1 17 17 20 f 11.118  6.3663 1.3597   1.7554  1.3597   1.7554  1.3597   1.7554  11.118  6.3663 11.118  6.3663 0.000000       0.000000 
1 1 1 17 17 21 o 29.643  5.2877 7.7299   2.2243  7.7299   2.2243  7.7299   2.2243  29.643  5.2877 29.643  5.2877 0.000000       0.000000 
1 1 1 17 17 22 o 10.042  6.2165 0.7152   1.9410  0.7152   1.9410  0.7152   1.9410  10.042  6.2165 10.042  6.2165 0.000000       0.000000 
1 1 1 17 17 23 f 9.4937  6.0579 0.3235   2.0015  0.3235   2.0015  0.3235   2.0015  9.4937  6.0579 9.4937  6.0579 0.000000       0.000000 
1 1 1 17 17 24 o 9.0382  5.8311 0.1415   1.9195  0.1415   1.9195  0.1415   1.9195  9.0382  5.8311 9.0382  5.8311 0.000000       0.000000 
1 1 1 17 17 25 o 16.903  7.4624 3.4432   2.0782  3.4432   2.0782  3.4432   2.0782  16.903  7.4624 16.903  7.4624 0.000000       0.000000 
1 1 1 17 17 26 o 6.1529  4.3925 -2.6714  1.9020  -2.6714  1.9020  -2.6714  1.9020  6.1529  4.3925 6.1529  4.3925 0.000000       0.000000 
1 1 1 17 17 27 o 11.857  6.8980 1.5668   2.1125  1.5668   2.1125  1.5668   2.1125  11.857  6.8980 11.857  6.8980 0.000000       0.000000 
1 1 1 17 17 28 o 8.7268  5.9302 -1.0260  2.4571  -1.0260  2.4571  -1.0260  2.4571  8.7268  5.9302 8.7268  5.9302 0.000000       0.000000 
1 1 1 17 17 29 o 35.625  5.4327 11.105   2.8247  11.105   2.8247  11.105   2.8247  35.625  5.4327 35.625  5.4327 0.000000       0.000000 
1 1 1 17 17 30 o 11.352  7.1613 0.8760   2.7063  0.8760   2.7063  0.8760   2.7063  11.352  7.1613 11.352  7.1613 0.000000       0.000000 
1 1 1 17 17 31 o 8.6352  5.9346 -1.4304  2.6174  -1.4304  2.6174  -1.4304  2.6174  8.6352  5.9346 8.6352  5.9346 0.000000       0.000000 
1 1 1 17 17 32 o 43.536  6.2173 16.847   3.9927  16.847   3.9927  16.847   3.9927  43.536  6.2173 43.536  6.2173 0.000000       0.000000 
1 1 1 17 17 33 o 40.566  6.7239 15.028   3.9228  15.028   3.9228  15.028   3.9228  40.566  6.7239 40.566  6.7239 0.000000       0.000000 
1 1 1 17 17 34 o 55.396  4.1791 25.425   3.5818  25.425   3.5818  25.425   3.5818  55.396  4.1791 55.396  4.1791 0.000000       0.000000 
1 1 1 17 17 35 o 35.618  4.7697 10.964   2.5293  10.964   2.5293  10.964   2.5293  35.618  4.7697 35.618  4.7697 0.000000       0.000000 
1 1 1 17 17 36 o 14.154  7.6274 2.6685   2.3478  2.6685   2.3478  2.6685   2.3478  14.154  7.6274 14.154  7.6274 0.000000       0.000000 
1 1 1 17 17 37 o 69.640  2.8482 39.003   3.0976  39.003   3.0976  39.003   3.0976  69.640  2.8482 69.640  2.8482 0.000000       0.000000 
1 1 1 17 17 38 o 17.693  7.6963 3.9315   2.2116  3.9315   2.2116  3.9315   2.2116  17.693  7.6963 17.693  7.6963 0.000000       0.000000 
1 1 1 17 17 39 o 6.7940  4.8026 -2.2210  2.0821  -2.2210  2.0821  -2.2210  2.0821  6.7940  4.8026 6.7940  4.8026 0.000000       0.000000 
1 1 1 17 17 40 o 9.3157  6.1469 -0.0352  2.3130  -0.0352  2.3130  -0.0352  2.3130  9.3157  6.1469 9.3157  6.1469 0.000000       0.000000 
1 1 1 17 17 41 o 34.899  4.0786 10.366   2.1518  10.366   2.1518  10.366   2.1518  34.899  4.0786 34.899  4.0786 0.000000       0.000000 
1 1 1 17 17 42 o 14.919  7.2180 2.9409   1.9675  2.9409   1.9675  2.9409   1.9675  14.919  7.2180 14.919  7.2180 0.000000       0.000000 
1 1 1 17 17 43 o 29.112  5.7096 7.9058   2.3196  7.9058   2.3196  7.9058   2.3196  29.112  5.7096 29.112  5.7096 0.000000       0.000000 
1 1 1 17 17 44 o 9.0038  5.8626 0.2274   2.0013  0.2274   2.0013  0.2274   2.0013  9.0038  5.8626 9.0038  5.8626 0.000000       0.000000 
1 1 1 17 17 45 o 29.749  4.9848 8.0035   2.1286  8.0035   2.1286  8.0035   2.1286  29.749  4.9848 29.749  4.9848 0.000000       0.000000 
1 1 1 17 17 46 o 11.570  6.7131 1.7398   1.9926  1.7398   1.9926  1.7398   1.9926  11.570  6.7131 11.570  6.7131 0.000000       0.000000 
1 1 1 17 17 47 o 7.5589  5.1552 -0.6983  1.8919  -0.6983  1.8919  -0.6983  1.8919  7.5589  5.1552 7.5589  5.1552 0.000000       0.000000 
1 1 1 17 17 48 o 15.492  7.3639 3.3241   2.0388  3.3241   2.0388  3.3241   2.0388  15.492  7.3639 15.492  7.3639 0.000000       0.000000 
1 1 1 17 17 49 o 12.527  6.9167 2.2638   1.9795  2.2638   1.9795  2.2638   1.9795  12.527  6.9167 12.527  6.9167 0.000000       0.000000 
1 1 1 18 0  0  o 77.850  2.7557 47.692   3.3536  47.692   3.3536  47.692   3.3536  77.850  2.7557 77.850  2.7557 0.000000       0.000000 
1 1 1 18 0  1  o 189.319 2.1373 281.107  6.3416  281.107  6.3416  281.107  6.3416  189.319 2.1373 189.319 2.1373 0.000000       0.000000 
1 1 1 18 0  2  o 50.021  2.4509 19.759   1.9114  19.759   1.9114  19.759   1.9114  50.021  2.4509 50.021  2.4509 0.000000       0.000000 
1 1 1 18 0  3  o 60.250  2.1532 28.569   2.0278  28.569   2.0278  28.569   2.0278  60.250  2.1532 60.250  2.1532 0.000000       0.000000 
1 1 1 18 0  4  o 242.881 2.4580 462.668  9.3568  462.668  9.3568  462.668  9.3568  242.881 2.4580 242.881 2.4580 0.000000       0.000000 
1 1 1 18 0  5  o 273.043 2.6623 584.734  11.393  584.734  11.393  584.734  11.393  273.043 2.6623 273.043 2.6623 0.000000       0.000000 
1 1 1 18 0  6  o 247.074 2.4875 478.783  9.6328  478.783  9.6328  478.783  9.6328  247.074 2.4875 247.074 2.4875 0.000000       0.000000 
1 1 1 18 0  7  o 196.215 2.1829 301.961  6.7127  301.961  6.7127  301.961  6.7127  196.215 2.1829 196.215 2.1829 0.000000       0.000000 
1 1 1 18 0  8  o 223.469 2.3381 391.669  8.1889  391.669  8.1889  391.669  8.1889  223.469 2.3381 223.469 2.3381 0.000000       0.000000 
1 1 1 18 0  9  o 204.293 2.2237 327.333  7.1197  327.333  7.1197  327.333  7.1197  204.293 2.2237 204.293 2.2237 0.000000       0.000000 
1 1 1 18 0  10 o 203.038 2.2163 323.324  7.0524  323.324  7.0524  323.324  7.0524  203.038 2.2163 203.038 2.2163 0.000000       0.000000 
1 1 1 18 0  11 o 372.539 3.3770 1088.74  19.719  1088.74  19.719  1088.74  19.719  372.539 3.3770 372.539 3.3770 0.000000       0.000000 
1 1 1 18 0  12 o 279.213 2.7086 611.476  11.853  611.476  11.853  611.476  11.853  279.213 2.7086 279.213 2.7086 0.000000       0.000000 
1 1 1 18 0  13 o 258.604 2.5593 524.530  10.373  524.530  10.373  524.530  10.373  258.604 2.5593 258.604 2.5593 0.000000       0.000000 
1 1 1 18 0  14 o 23.338  4.9206 4.8006   1.5844  4.8006   1.5844  4.8006   1.5844  23.338  4.9206 23.338  4.9206 0.000000       0.000000 
1 1 1 18 0  15 o 309.627 2.9143 751.993  14.143  751.993  14.143  751.993  14.143  309.627 2.9143 309.627 2.9143 0.000000       0.000000 
1 1 1 18 0  16 o 131.066 1.8941 134.760  3.8899  134.760  3.8899  134.760  3.8899  131.066 1.8941 131.066 1.8941 0.000000       0.000000 
1 1 1 18 0  17 o 8.7144  5.4836 0.2711   1.5756  0.2711   1.5756  0.2711   1.5756  8.7144  5.4836 8.7144  5.4836 0.000000       0.000000 
1 1 1 18 0  18 o 122.994 1.9078 118.686  3.6765  118.686  3.6765  118.686  3.6765  122.994 1.9078 122.994 1.9078 0.000000       0.000000 
1 1 1 18 0  19 f 35.590  3.3095 10.190   1.8098  10.190   1.8098  10.190   1.8098  35.590  3.3095 35.590  3.3095 0.000000       0.000000 
1 1 1 18 0  20 o 197.192 2.1905 304.993  6.7696  304.993  6.7696  304.993  6.7696  197.192 2.1905 197.192 2.1905 0.000000       0.000000 
1 1 1 18 0  21 o 7.4155  4.9754 -0.6493  1.6257  -0.6493  1.6257  -0.6493  1.6257  7.4155  4.9754 7.4155  4.9754 0.000000       0.000000 
1 1 1 18 0  22 o 17.537  7.0210 3.3456   1.8733  3.3456   1.8733  3.3456   1.8733  17.537  7.0210 17.537  7.0210 0.000000       0.000000 
1 1 1 18 0  23 o 88.753  1.9316 61.847   2.6847  61.847   2.6847  61.847   2.6847  88.753  1.9316 88.753  1.9316 0.000000       0.000000 
1 1 1 18 0  24 o 11.876  6.4528 1.5589   1.6934  1.5589   1.6934  1.5589   1.6934  11.876  6.4528 11.876  6.4528 0.000000       0.000000 
1 1 1 18 0  25 o 320.573 3.0019 806.258  15.083  806.258  15.083  806.258  15.083  320.573 3.0019 320.573 3.0019 0.000000       0.000000 
1 1 1 18 0  26 o 263.661 2.6047 545.339  10.764  545.339  10.764  545.339  10.764  263.661 2.6047 263.661 2.6047 0.000000       0.000000 
1 1 1 18 0  27 o 392.916 3.8789 1211.91  23.887  1211.91  23.887  1211.91  23.887  392.916 3.8789 392.916 3.8789 0.000000       0.000000 
1 1 1 18 0  28 o 33.940  3.7021 9.3566   1.9102  9.3566   1.9102  9.3566   1.9102  33.940  3.7021 33.940  3.7021 0.000000       0.000000 
1 1 1 18 0  29 o 61.724  2.4356 30.018   2.3484  30.018   2.3484  30.018   2.3484  61.724  2.4356 61.724  2.4356 0.000000       0.000000 
1 1 1 18 0  30 o 94.299  2.0947 69.832   3.0931  69.832   3.0931  69.832   3.0931  94.299  2.0947 94.299  2.0947 0.000000       0.000000 
1 1 1 18 0  31 o 10.673  6.5525 0.7155   2.1148  0.7155   2.1148  0.7155   2.1148  10.673  6.5525 10.673  6.5525 0.000000       0.000000 
1 1 1 18 0  32 o 139.898 2.4540 153.650  5.3782  153.650  5.3782  153.650  5.3782  139.898 2.4540 139.898 2.4540 0.000000       0.000000 
1 1 1 18 0  33 o 9.6030  5.9324 0.5281   1.7582  0.5281   1.7582  0.5281   1.7582  9.6030  5.9324 9.6030  5.9324 0.000000       0.000000 
1 1 1 18 0  34 o 16.041  7.0317 2.9082   1.8457  2.9082   1.8457  2.9082   1.8457  16.041  7.0317 16.041  7.0317 0.000000       0.000000 
1 1 1 18 0  35 o 44.954  2.9878 16.069   2.0842  16.069   2.0842  16.069   2.0842  44.954  2.9878 44.954  2.9878 0.000000       0.000000 
1 1 1 18 0  36 o 105.598 2.3357 87.610   3.8623  87.610   3.8623  87.610   3.8623  105.598 2.3357 105.598 2.3357 0.000000       0.000000 
1 1 1 18 0  37 o 145.303 2.1155 165.729  4.8165  165.729  4.8165  165.729  4.8165  145.303 2.1155 145.303 2.1155 0.000000       0.000000 
1 1 1 18 0  38 f 57.888  2.3511 26.424   2.1255  26.424   2.1255  26.424   2.1255  57.888  2.3511 57.888  2.3511 0.000000       0.000000 
1 1 1 18 0  39 o 95.620  2.1793 71.855   3.2629  71.855   3.2629  71.855   3.2629  95.620  2.1793 95.620  2.1793 0.000000       0.000000 
1 1 1 18 0  40 o 19.530  5.9828 3.7415   1.6010  3.7415   1.6010  3.7415   1.6010  19.530  5.9828 19.530  5.9828 0.000000       0.000000 
1 1 1 18 0  41 o 107.116 2.0078 90.128   3.3688  90.128   3.3688  90.128   3.3688  107.116 2.0078 107.116 2.0078 0.000000       0.000000 
1 1 1 18 0  42 f 133.384 2.0307 139.723  4.2440  139.723  4.2440  139.723  4.2440  133.384 2.0307 133.384 2.0307 0.000000       0.000000 
1 1 1 18 0  43 o 82.159  1.8893 53.055   2.4305  53.055   2.4305  53.055   2.4305  82.159  1.8893 82.159  1.8893 0.000000       0.000000 
1 1 1 18 0  44 o 29.961  3.3573 7.3239   1.5261  7.3239   1.5261  7.3239   1.5261  29.961  3.3573 29.961  3.3573 0.000000       0.000000 
1 1 1 18 0  45 o 82.139  1.7858 53.023   2.2970  53.023   2.2970  53.023   2.2970  82.139  1.7858 82.139  1.7858 0.000000       0.000000 
1 1 1 18 0  46 o 11.476  5.8627 1.5338   1.3317  1.5338   1.3317  1.5338   1.3317  11.476  5.8627 11.476  5.8627 0.000000       0.000000 
1 1 1 18 0  47 o 25.878  3.6748 5.5857   1.4039  5.5857   1.4039  5.5857   1.4039  25.878  3.6748 25.878  3.6748 0.000000       0.000000 
1 1 1 18 0  48 o 6.6786  4.4648 -0.4424  1.2887  -0.4424  1.2887  -0.4424  1.2887  6.6786  4.4648 6.6786  4.4648 0.000000       0.000000 
1 1 1 18 0  49 o 41.817  2.6960 13.927   1.7505  13.927   1.7505  13.927   1.7505  41.817  2.6960 41.817  2.6960 0.000000       0.000000 
1 1 1 18 0  50 o 75.214  1.8385 44.503   2.1648  44.503   2.1648  44.503   2.1648  75.214  1.8385 75.214  1.8385 0.000000       0.000000 
1 1 1 18 0  51 o 57.269  2.0139 25.863   1.8030  25.863   1.8030  25.863   1.8030  57.269  2.0139 57.269  2.0139 0.000000       0.000000 
1 1 1 18 0  52 o 37.233  2.5868 11.066   1.4931  11.066   1.4931  11.066   1.4931  37.233  2.5868 37.233  2.5868 0.000000       0.000000 
1 1 1 18 0  53 o 47.343  2.4165 17.772   1.7829  17.772   1.7829  17.772   1.7829  47.343  2.4165 47.343  2.4165 0.000000       0.000000 
1 1 1 18 0  54 o 88.377  1.9523 61.473   2.7018  61.473   2.7018  61.473   2.7018  88.377  1.9523 88.377  1.9523 0.000000       0.000000 
1 1 1 18 0  55 o 10.649  6.1472 1.1606   1.6574  1.1606   1.6574  1.1606   1.6574  10.649  6.1472 10.649  6.1472 0.000000       0.000000 
1 1 1 18 0  56 o 6.1407  4.2526 -1.1357  1.4077  -1.1357  1.4077  -1.1357  1.4077  6.1407  4.2526 6.1407  4.2526 0.000000       0.000000 
1 1 1 18 0  57 o 108.560 2.2128 92.891   3.7624  92.891   3.7624  92.891   3.7624  108.560 2.2128 108.560 2.2128 0.000000       0.000000 
1 1 1 18 0  58 o 74.105  2.1170 43.335   2.4549  43.335   2.4549  43.335   2.4549  74.105  2.1170 74.105  2.1170 0.000000       0.000000 
1 1 1 18 0  59 o 23.303  5.0698 4.9022   1.6230  4.9022   1.6230  4.9022   1.6230  23.303  5.0698 23.303  5.0698 0.000000       0.000000 
1 1 1 18 0  60 o 27.164  4.1105 6.2664   1.6318  6.2664   1.6318  6.2664   1.6318  27.164  4.1105 27.164  4.1105 0.000000       0.000000 
1 1 1 18 0  61 o 7.6473  4.9297 0.0573   1.3681  0.0573   1.3681  0.0573   1.3681  7.6473  4.9297 7.6473  4.9297 0.000000       0.000000 
1 1 1 18 0  62 o 82.496  1.8844 53.695   2.4341  53.695   2.4341  53.695   2.4341  82.496  1.8844 82.496  1.8844 0.000000       0.000000 
1 1 1 18 0  63 o 65.917  2.1027 34.396   2.1678  34.396   2.1678  34.396   2.1678  65.917  2.1027 65.917  2.1027 0.000000       0.000000 
1 1 1 18 0  64 o 35.225  2.7919 10.035   1.5195  10.035   1.5195  10.035   1.5195  35.225  2.7919 35.225  2.7919 0.000000       0.000000 
1 1 1 18 0  65 o 21.773  4.5894 4.2906   1.3787  4.2906   1.3787  4.2906   1.3787  21.773  4.5894 21.773  4.5894 0.000000       0.000000 
1 1 1 18 0  66 o 41.709  2.4497 13.946   1.5891  13.946   1.5891  13.946   1.5891  41.709  2.4497 41.709  2.4497 0.000000       0.000000 
1 1 1 18 0  67 o 50.865  2.1715 20.608   1.7244  20.608   1.7244  20.608   1.7244  50.865  2.1715 50.865  2.1715 0.000000       0.000000 
1 1 1 18 0  68 o 33.963  2.9822 9.4396   1.5597  9.4396   1.5597  9.4396   1.5597  33.963  2.9822 33.963  2.9822 0.000000       0.000000 
1 1 1 18 0  69 f 37.756  2.7546 11.568   1.6104  11.568   1.6104  11.568   1.6104  37.756  2.7546 37.756  2.7546 0.000000       0.000000 
1 1 1 18 0  70 o 71.593  2.7817 41.211   3.1113  41.211   3.1113  41.211   3.1113  71.593  2.7817 71.593  2.7817 0.000000       0.000000 
1 1 1 18 0  71 o 33.265  2.9754 9.0955   1.5231  9.0955   1.5231  9.0955   1.5231  33.265  2.9754 33.265  2.9754 0.000000       0.000000 
1 1 1 18 0  72 o 13.633  7.2221 2.5206   2.0727  2.5206   2.0727  2.5206   2.0727  13.633  7.2221 13.633  7.2221 0.000000       0.000000 
1 1 1 18 0  73 o 46.360  3.6015 17.863   2.5811  17.863   2.5811  17.863   2.5811  46.360  3.6015 46.360  3.6015 0.000000       0.000000 
1 1 1 18 0  74 o 13.608  7.3726 2.6148   2.2046  2.6148   2.2046  2.6148   2.2046  13.608  7.3726 13.608  7.3726 0.000000       0.000000 
1 1 1 18 0  75 o 14.124  7.4382 2.8802   2.1889  2.8802   2.1889  2.8802   2.1889  14.124  7.4382 14.124  7.4382 0.000000       0.000000 
1 1 1 18 0  76 o 26.862  6.5738 7.4143   2.3978  7.4143   2.3978  7.4143   2.3978  26.862  6.5738 26.862  6.5738 0.000000       0.000000 
1 1 1 18 1  0  o 60.492  2.2844 28.813   2.1593  28.813   2.1593  28.813   2.1593  60.492  2.2844 60.492  2.2844 0.000000       0.000000 
1 1 1 18 1  1  o 181.550 1.4934 258.419  4.2504  266.252  6.1428  251.224  5.8873  184.257 2.1266 178.983 2.0982 5.274429       2.987470 
1 1 1 18 1  2  o 141.574 1.3704 157.139  3.0415  157.093  4.3069  157.184  4.2959  141.539 1.9410 141.580 1.9355 -0.4132080E-01 2.741137 
1 1 1 18 1  3  o 150.947 1.3970 178.636  3.3057  177.887  4.6694  179.388  4.6806  150.614 1.9776 151.248 1.9740 -0.6343842     2.794260 
1 1 1 18 1  4  o 112.872 1.3550 99.881   2.3976  94.779   3.3098  105.514  3.4778  109.940 1.9204 115.999 1.9125 -6.058929      2.710252 
1 1 1 18 1  5  o 387.136 2.5837 1175.65  15.681  1159.73  20.929  1196.03  23.676  384.389 3.4732 390.294 3.8695 -5.905518      5.199644 
1 1 1 18 1  6  o 428.917 2.7031 1443.21  18.176  1509.98  26.832  1386.60  24.708  438.530 3.9030 420.259 3.7502 18.27069       5.412765 
1 1 1 18 1  7  o 80.640  1.4921 50.985   1.8863  44.293   2.6668  57.685   2.6686  75.150  2.2636 85.767  1.9847 -10.61752      3.010499 
1 1 1 18 1  8  o 174.948 1.4696 239.966  4.0305  241.769  5.7353  238.207  5.6653  175.582 2.0836 174.284 2.0735 1.297913       2.939573 
1 1 1 18 1  9  o 50.950  1.9767 20.357   1.5789  17.786   2.1911  23.133   2.2770  47.519  2.9560 54.303  2.6748 -6.783798      3.986535 
1 1 1 18 1  10 o 219.853 1.6453 378.989  5.6707  386.961  8.1538  371.520  7.8919  222.117 2.3417 217.642 2.3130 4.474884       3.291434 
1 1 1 18 1  11 o 174.438 1.4734 238.572  4.0293  236.082  5.6634  241.124  5.7338  173.503 2.0822 175.346 2.0859 -1.842636      2.947249 
1 1 1 18 1  12 o 115.198 1.4756 104.047  2.6648  105.211  3.7787  102.895  3.7586  115.826 2.0811 114.544 2.0932 1.282181       2.951620 
1 1 1 18 1  13 o 309.578 2.0678 751.604  10.035  740.191  14.008  763.637  14.383  307.140 2.9093 311.963 2.9411 -4.822876      4.136917 
1 1 1 18 1  14 o 133.632 1.3687 140.005  2.8673  142.504  4.0845  137.576  4.0262  134.804 1.9328 132.452 1.9390 2.351837       2.737779 
1 1 1 18 1  15 o 195.587 1.5506 299.940  4.7543  298.813  6.6982  301.084  6.7493  195.190 2.1890 195.930 2.1974 -0.7396545     3.101656 
1 1 1 18 1  16 o 108.526 1.3497 92.341   2.2963  96.128   3.3088  88.822   3.1894  110.716 1.9064 106.426 1.9116 4.290222       2.699744 
1 1 1 18 1  17 o 32.804  2.4214 8.4871   1.2364  9.0315   1.7463  7.9398   1.7508  33.755  3.3440 31.597  3.5988 2.158419       4.912647 
1 1 1 18 1  18 o 137.559 1.3763 148.359  2.9680  146.677  4.1495  150.121  4.2469  136.760 1.9354 138.356 1.9580 -1.595612      2.753161 
1 1 1 18 1  19 o 38.102  2.1997 11.425   1.3083  12.046   1.8478  10.801   1.8527  39.059  3.0417 36.954  3.2305 2.105156       4.437104 
1 1 1 18 1  20 o 214.584 1.7006 361.074  5.7209  366.079  8.5882  357.082  7.6705  216.012 2.5361 213.359 2.2933 2.653458       3.419222 
1 1 1 18 1  21 o 45.733  2.1148 16.404   1.5161  18.241   2.1585  14.616   2.1301  48.126  2.8741 43.033  3.1801 5.093559       4.286409 
1 1 1 18 1  22 o 62.273  1.6876 30.410   1.6475  26.877   2.1572  35.354   2.5520  58.533  2.3510 67.130  2.4250 -8.597744      3.377532 
1 1 1 18 1  23 o 131.886 1.3694 136.380  2.8313  135.122  3.9782  137.670  4.0304  131.258 1.9333 132.489 1.9405 -1.231445      2.739196 
1 1 1 18 1  24 o 270.176 1.8762 572.484  7.9464  547.827  10.798  601.607  11.736  264.224 2.6070 276.878 2.7038 -12.65454      3.755881 
1 1 1 18 1  25 o 104.520 1.3823 85.657   2.2649  85.479   3.1845  85.840   3.2219  104.395 1.9459 104.615 1.9646 -0.2198486     2.765128 
1 1 1 18 1  26 o 282.877 1.9398 627.633  8.6022  625.644  12.127  629.646  12.204  282.335 2.7400 283.236 2.7485 -0.9002991     3.880923 
1 1 1 18 1  27 o 93.802  1.3873 68.992   2.0400  67.797   2.8423  70.262   2.9297  92.970  1.9502 94.644  1.9746 -1.673851      2.775313 
1 1 1 18 1  28 o 39.089  2.1595 12.024   1.3182  10.271   1.8342  13.897   1.8957  36.011  3.2852 41.973  2.8989 -5.961227      4.381295 
1 1 1 18 1  29 o 72.193  1.4729 40.870   1.6670  42.621   2.3884  39.208   2.3277  73.707  2.0671 70.693  2.1004 3.013893       2.946929 
1 1 1 18 1  30 o 18.036  4.3542 2.6630   1.2171  3.5206   1.6569  1.6580   1.7938  20.726  5.1276 15.809  5.6814 4.917259       7.653202 
1 1 1 18 1  31 o 141.213 1.5119 156.389  3.3470  152.777  4.6635  160.226  4.8064  139.535 2.1319 142.895 2.1456 -3.360428      3.024702 
1 1 1 18 1  32 f 108.722 1.5358 92.710   2.6176  93.980   3.9232  91.690   3.5142  109.424 2.2870 108.096 2.0738 1.328323       3.087246 
1 1 1 18 1  33 o 60.939  1.7939 29.134   1.7137  27.793   2.5323  30.267   2.3278  59.485  2.7155 62.090  2.3915 -2.605110      3.618408 
1 1 1 18 1  34 o 70.147  1.9412 38.614   2.1347  38.701   2.9984  38.526   3.0397  70.186  2.7251 70.025  2.7691 0.1610794      3.885103 
1 1 1 18 1  35 f 96.959  1.9783 73.786   3.0070  72.046   3.8025  76.689   4.9128  95.769  2.5327 98.745  3.1737 -2.976303      4.060429 
1 1 1 18 1  36 o 96.630  1.7262 73.271   2.6150  76.586   3.4429  68.750   4.0202  98.756  2.2238 93.523  2.7420 5.233391       3.530476 
1 1 1 18 1  37 f 77.294  1.8226 46.893   2.2084  46.421   2.9296  47.514   3.3610  76.863  2.4313 77.736  2.7580 -0.8728638     3.676617 
1 1 1 18 1  38 o 11.084  4.6116 0.2160   1.3248  -0.5380  1.8176  1.0704   1.9349  11.586  5.1133 14.795  5.7736 -3.208795      7.712400 
1 1 1 18 1  39 o 120.797 1.4408 114.493  2.7284  116.674  4.0359  112.658  3.7027  121.870 2.1125 119.771 1.9720 2.098854       2.889868 
1 1 1 18 1  40 o 103.608 1.3563 84.224   2.2029  86.623   3.4508  82.573   2.8620  105.001 2.0964 102.551 1.7802 2.450272       2.750270 
1 1 1 18 1  41 o 22.472  3.1997 4.0606   1.0954  6.6187   1.7669  2.4636   1.3961  28.648  4.0470 17.376  4.9086 11.27155       6.361796 
1 1 1 18 1  42 o 50.801  1.5949 20.261   1.2702  21.527   1.8812  19.201   1.7219  52.320  2.2936 49.417  2.2227 2.903004       3.193911 
1 1 1 18 1  43 o 100.603 1.2821 79.419   2.0220  80.965   2.9625  78.071   2.7666  101.515 1.8616 99.696  1.7702 1.819595       2.568842 
1 1 1 18 1  44 o 38.934  1.8745 11.912   1.1441  15.270   1.6956  9.1051   1.5502  43.973  2.4698 33.850  2.9508 10.12272       3.847957 
1 1 1 18 1  45 o 13.315  4.1903 1.3924   0.9758  2.3895   1.4016  0.4546   1.3593  17.112  4.9460 11.688  4.7464 5.423162       6.854964 
1 1 1 18 1  46 o 80.297  1.4789 50.629   1.8616  50.430   2.7018  50.809   2.5686  80.059  2.1528 80.375  2.0386 -0.3158035     2.964816 
1 1 1 18 1  47 o 113.287 1.2503 100.733  2.2205  100.365  3.1246  101.109  3.1562  113.004 1.7638 113.421 1.7751 -0.4165344     2.502371 
1 1 1 18 1  48 o 11.548  4.2278 0.8606   0.9996  -0.1354  1.4301  1.8119   1.3977  10.741  4.6410 15.320  5.0328 -4.578319      6.845993 
1 1 1 18 1  49 o 64.061  1.3731 32.226   1.3790  33.464   1.9532  30.996   1.9473  65.225  1.9102 62.765  1.9790 2.459602       2.750523 
1 1 1 18 1  50 o 45.175  1.7032 16.044   1.2062  15.539   1.7700  16.481   1.6482  44.305  2.5593 45.674  2.3094 -1.368576      3.447247 
1 1 1 18 1  51 o 10.738  4.0787 0.6573   0.9474  -0.4079  1.4070  1.5409   1.2815  10.157  4.4899 14.292  4.8223 -4.134868      6.588917 
1 1 1 18 1  52 o 51.195  1.5720 20.601   1.2617  20.382   1.8970  20.774   1.6895  50.832  2.3805 51.355  2.0986 -0.5229034     3.173456 
1 1 1 18 1  53 o 7.5884  3.4738 -0.6316  0.9299  -0.3469  1.2922  -0.9373  1.3391  9.7794  4.3140 9.0365  4.1485 0.7428617      5.985025 
1 1 1 18 1  54 o 146.524 1.3138 168.650  3.0177  158.924  4.1250  179.850  4.4263  142.083 1.8519 151.143 1.8681 -9.059418      2.630491 
1 1 1 18 1  55 o 41.369  1.7226 13.468   1.1172  13.242   1.5747  13.698   1.5852  40.862  2.4699 41.566  2.4434 -0.7039948     3.474303 
1 1 1 18 1  56 o 30.990  2.3346 7.6294   1.1259  9.0145   1.8292  6.7846   1.4286  33.432  3.5441 29.040  3.1906 4.392159       4.768686 
1 1 1 18 1  57 o 30.715  2.3773 7.5037   1.1358  7.5405   1.6146  7.4676   1.5980  30.555  3.4299 30.411  3.4108 0.1448212      4.837132 
1 1 1 18 1  58 o 68.071  1.5231 36.463   1.6254  36.786   2.3262  36.155   2.2720  68.234  2.1747 67.654  2.1422 0.5800400      3.052586 
1 1 1 18 1  59 f 16.804  4.3879 2.3749   1.1684  2.5187   1.5490  2.1851   1.7797  17.371  5.2465 16.681  5.6826 0.6902313      7.734215 
1 1 1 18 1  60 o 39.388  2.1747 12.312   1.3376  14.060   1.8043  10.179   1.9932  41.947  2.7592 35.398  3.6439 6.549702       4.570715 
1 1 1 18 1  61 o 33.725  2.3378 9.0627   1.2284  12.158   1.7434  6.0113   1.7310  38.935  2.8767 26.881  4.2489 12.05326       5.131126 
1 1 1 18 1  62 o 54.537  1.6913 23.472   1.4460  21.971   2.0265  25.028   2.0638  52.568  2.4591 56.142  2.3449 -3.574574      3.397914 
1 1 1 18 1  63 f 7.3614  3.4569 -1.0030  1.0145  -0.1920  1.3403  -2.0908  1.5522  10.110  4.4285 8.4385  4.0507 1.671090       6.001652 
1 1 1 18 1  64 o 16.997  3.8814 2.4481   1.0115  3.3459   1.3804  1.4072   1.4864  19.727  4.5557 14.007  5.1513 5.719972       6.876779 
1 1 1 18 1  65 o 39.455  1.9629 12.347   1.2141  12.125   1.6104  12.639   1.8481  38.823  2.6620 39.505  3.0067 -0.6816673     4.015765 
1 1 1 18 1  66 o 53.899  1.6386 22.973   1.3846  24.805   1.8690  20.745   2.0612  55.836  2.1352 50.821  2.5958 5.015640       3.361154 
1 1 1 18 1  67 o 46.437  1.7446 17.082   1.2700  16.252   1.6936  18.149   1.9198  45.019  2.4085 47.499  2.5879 -2.479633      3.535284 
1 1 1 18 1  68 o 16.948  3.8794 2.4614   1.0084  2.2912   1.3397  2.6841   1.5319  16.229  4.8741 17.441  5.2060 -1.212461      7.131556 
1 1 1 18 1  69 o 20.729  3.4175 3.5982   1.0719  4.4175   1.4289  2.5440   1.6209  22.701  4.1689 17.016  5.4058 5.684753       6.826564 
1 1 1 18 1  70 o 33.156  2.9358 8.9741   1.5102  10.596   2.1977  7.5231   2.0788  35.460  4.0248 29.470  4.6540 5.989420       6.152936 
1 1 1 18 1  71 o 26.149  2.9255 5.6117   1.1787  6.1719   1.4665  4.5893   1.9811  27.174  3.5255 22.347  5.6513 4.827229       6.660796 
1 1 1 18 1  72 o 25.548  3.7499 5.5257   1.4572  6.8139   2.3261  4.6935   1.8695  27.278  5.6262 22.692  5.3436 4.586811       7.759362 
1 1 1 18 1  73 o 16.429  5.4697 2.4069   1.6489  2.9637   2.2476  1.7579   2.4265  18.010  6.3716 15.838  6.3729 2.171923       9.011751 
1 1 1 18 1  74 o 14.114  5.3329 1.5427   1.6143  2.3390   2.2578  0.7099   2.3089  16.575  6.2963 13.852  5.9399 2.723085       8.655939 
1 1 1 18 1  75 o 18.650  5.4021 3.2898   1.6705  3.6319   2.2598  2.8776   2.4805  19.158  6.4039 17.585  6.6181 1.573633       9.209204 
1 1 1 18 2  0  o 182.002 2.1313 259.812  6.0791  259.812  6.0791  259.812  6.0791  182.002 2.1313 182.002 2.1313 0.000000       0.000000 
1 1 1 18 2  1  o 172.753 1.4784 233.987  4.0038  231.318  5.6159  236.746  5.7098  171.742 2.0859 173.745 2.0963 -2.003067      2.957255 
1 1 1 18 2  2  o 77.166  1.4685 46.686   1.7765  48.192   2.5210  45.201   2.5038  78.391  2.0514 75.918  2.1038 2.472359       2.938406 
1 1 1 18 2  3  o 136.544 1.3856 146.174  2.9659  151.015  4.2738  141.677  4.1194  138.770 1.9646 134.411 1.9550 4.358734       2.771544 
1 1 1 18 2  4  o 77.580  1.4682 47.188   1.7856  45.136   2.5066  49.303   2.5442  75.863  2.1076 79.289  2.0468 -3.426399      2.937963 
1 1 1 18 2  5  o 255.521 1.8100 511.979  7.2503  513.716  10.272  510.254  10.235  255.902 2.5606 255.039 2.5599 0.8636627      3.620695 
1 1 1 18 2  6  o 287.942 2.0527 650.220  9.2659  657.536  13.881  644.340  12.445  289.465 3.0588 286.576 2.7701 2.889526       4.126718 
1 1 1 18 2  7  o 321.201 2.1331 809.141  10.741  819.449  15.369  799.298  15.018  323.147 3.0338 319.152 3.0016 3.994110       4.267668 
1 1 1 18 2  8  o 84.207  1.5106 55.596   1.9941  53.252   2.6294  58.769   3.0593  82.403  2.0355 86.561  2.2545 -4.158318      3.037384 
1 1 1 18 2  9  o 49.280  1.9414 19.044   1.4998  19.986   2.2543  18.296   2.0089  50.388  2.8656 48.218  2.6680 2.169968       3.915359 
1 1 1 18 2  10 o 332.859 2.1929 868.984  11.443  879.175  16.346  859.192  16.024  334.699 3.1153 330.877 3.0891 3.822144       4.387223 
1 1 1 18 2  11 o 99.061  1.3785 76.938   2.1408  79.366   3.0758  74.657   2.9815  100.600 1.9503 97.570  1.9492 3.030174       2.757405 
1 1 1 18 2  12 o 170.945 1.5313 229.125  4.1037  227.054  5.5324  231.659  6.1188  170.149 2.0741 171.856 2.2711 -1.707367      3.075722 
1 1 1 18 2  13 o 67.143  1.5472 35.348   1.6285  36.312   2.3227  34.416   2.2839  68.042  2.1775 66.241  2.1994 1.800133       3.094959 
1 1 1 18 2  14 o 143.776 1.4628 162.078  3.2970  160.794  4.4427  163.651  4.9189  143.188 1.9792 144.447 2.1723 -1.258575      2.938667 
1 1 1 18 2  15 o 135.684 1.4595 144.347  3.1044  149.172  4.2579  138.872  4.5359  137.916 1.9694 133.061 2.1745 4.854553       2.933739 
1 1 1 18 2  16 o 124.699 1.4416 121.920  2.8180  124.342  3.8307  119.065  4.1603  125.916 1.9407 123.207 2.1539 2.708557       2.899230 
1 1 1 18 2  17 f 69.453  1.5936 37.823   1.7351  39.851   2.4055  35.625   2.5052  71.279  2.1527 67.388  2.3714 3.890030       3.202785 
1 1 1 18 2  18 o 122.883 1.4314 118.396  2.7574  122.938  3.7912  113.296  4.0178  125.201 1.9316 120.185 2.1325 5.016838       2.877230 
1 1 1 18 2  19 o 64.715  1.7369 32.842   1.7621  30.976   2.4538  34.829   2.5318  62.834  2.4911 66.629  2.4239 -3.794968      3.475805 
1 1 1 18 2  20 o 245.438 1.8485 472.434  7.1122  472.311  9.6193  472.583  10.563  245.350 2.5009 245.396 2.7459 -0.4580688E-01 3.714080 
1 1 1 18 2  21 o 165.483 1.5245 214.732  3.9548  211.987  5.3158  218.135  5.9186  164.396 2.0626 166.751 2.2641 -2.354660      3.062797 
1 1 1 18 2  22 o 70.753  1.6021 39.256   1.7770  38.774   2.3823  39.860   2.6680  70.305  2.1615 71.276  2.3877 -0.9711075     3.220724 
1 1 1 18 2  23 o 202.035 1.6576 320.101  5.2499  317.408  7.0550  323.442  7.8587  201.143 2.2374 203.026 2.4691 -1.883102      3.332040 
1 1 1 18 2  24 o 72.006  1.5983 40.660   1.8042  41.584   2.4454  39.556   2.6728  72.806  2.1425 71.001  2.4014 1.804924       3.218211 
1 1 1 18 2  25 o 188.991 1.6771 280.118  4.9687  282.804  7.0414  277.454  7.0124  189.843 2.3660 188.038 2.3788 1.805237       3.355092 
1 1 1 18 2  26 o 404.130 2.9686 1282.46  18.807  1281.67  25.199  1283.46  28.258  403.716 3.9815 403.830 4.4636 -0.1140442     5.981308 
1 1 1 18 2  27 o 44.983  2.1503 15.877   1.5164  16.537   2.0048  14.994   2.3180  45.808  2.8053 43.548  3.4230 2.259388       4.425687 
1 1 1 18 2  28 o 98.626  1.5747 76.288   2.4347  75.185   3.1969  77.812   3.7569  97.890  2.0832 99.569  2.4069 -1.678909      3.183218 
1 1 1 18 2  29 o 98.853  1.7315 76.652   2.6833  73.593   3.4508  81.331   4.2676  96.835  2.2732 101.774 2.6748 -4.939163      3.510306 
1 1 1 18 2  30 o 71.558  1.7461 40.168   1.9587  41.405   2.4914  38.166   3.1695  72.634  2.1880 69.702  2.9006 2.932404       3.633325 
1 1 1 18 2  31 o 72.077  1.6470 40.752   1.8610  39.671   2.4764  42.155   2.8208  71.091  2.2221 73.272  2.4558 -2.181244      3.311853 
1 1 1 18 2  32 o 85.212  1.5703 56.959   2.0977  56.102   2.7635  58.125   3.2221  84.543  2.0851 86.036  2.3889 -1.492973      3.170930 
1 1 1 18 2  33 o 35.751  2.5094 10.089   1.3975  9.5960   2.0175  10.543   1.9376  34.703  3.7690 36.443  3.4319 -1.739452      5.097363 
1 1 1 18 2  34 o 76.581  1.4228 46.004   1.7081  44.181   2.3620  48.003   2.4731  75.020  2.0084 78.197  2.0174 -3.177185      2.846692 
1 1 1 18 2  35 f 33.894  2.2612 9.0636   1.1946  12.019   1.6982  6.1686   1.6808  38.996  2.7964 27.684  3.9879 11.31173       4.870646 
1 1 1 18 2  36 f 48.113  1.7658 18.170   1.3319  20.167   1.8933  16.214   1.8739  50.659  2.3840 45.333  2.6482 5.325893       3.563262 
1 1 1 18 2  37 o 160.856 1.5120 203.041  3.8127  211.682  5.7435  196.234  5.0980  164.135 2.2321 158.061 2.0574 6.073593       3.035699 
1 1 1 18 2  38 o 27.454  2.7209 5.9889   1.1556  4.7005   1.7091  7.0741   1.5685  23.941  4.7215 29.756  3.4250 -5.814959      5.832963 
1 1 1 18 2  39 o 114.453 1.3607 102.788  2.4414  106.723  3.7844  99.983   3.1952  116.541 2.0714 112.835 1.8063 3.706543       2.748349 
1 1 1 18 2  40 o 52.214  1.8285 21.414   1.4967  22.390   2.0273  20.245   2.2189  53.348  2.4241 50.621  2.8071 2.727432       3.708882 
1 1 1 18 2  41 o 84.275  1.4738 55.750   1.9472  57.428   2.5868  53.558   2.9576  85.489  1.9302 82.517  2.2864 2.971962       2.992213 
1 1 1 18 2  42 o 33.380  2.3498 8.8108   1.2218  9.8066   1.5928  7.3874   1.9043  35.146  2.9173 30.249  4.1233 4.897099       5.050991 
1 1 1 18 2  43 o 17.693  4.4571 2.5868   1.2357  -0.4618  1.6501  6.4788   1.8644  11.045  4.8734 28.233  4.3524 -17.18827      6.533981 
1 1 1 18 2  44 o 97.913  1.4389 75.271   2.2086  74.703   3.2367  75.765   3.0213  97.448  2.1188 98.163  1.9633 -0.7150650     2.888549 
1 1 1 18 2  45 o 11.115  4.3558 0.5898   1.1049  -1.5246  1.5386  2.8411   1.5876  9.1379  4.2803 18.565  5.2310 -9.427208      6.759057 
1 1 1 18 2  46 o 34.592  2.1844 9.4566   1.1785  8.6268   1.8191  10.057   1.5470  32.794  3.5975 35.586  2.7955 -2.792240      4.555955 
1 1 1 18 2  47 o 128.757 1.4362 130.203  2.8989  136.489  4.3613  125.227  3.8802  131.678 2.1127 126.166 1.9618 5.512375       2.883125 
1 1 1 18 2  48 o 51.332  1.7290 20.715   1.3914  21.196   1.8470  20.084   2.1156  51.868  2.2715 50.367  2.6892 1.500839       3.520116 
1 1 1 18 2  49 o 54.064  1.5951 22.972   1.3519  23.554   1.9123  22.391   1.9115  54.675  2.2311 53.301  2.2876 1.373165       3.195469 
1 1 1 18 2  50 o 33.911  2.2327 9.1016   1.1803  7.6934   1.7015  10.408   1.6386  30.915  3.5768 36.156  2.9158 -5.241102      4.614707 
1 1 1 18 2  51 o 46.759  1.7763 17.201   1.3021  18.853   1.8913  15.712   1.7952  48.808  2.4800 44.526  2.5829 4.281826       3.580795 
1 1 1 18 2  52 o 73.911  1.4291 42.927   1.6559  43.872   2.3798  42.040   2.3055  74.624  2.0342 73.053  2.0131 1.571114       2.861946 
1 1 1 18 2  53 o 9.9083  4.0735 0.2699   1.0168  1.2905   1.4425  -0.7381  1.4336  13.883  5.0793 9.7145  4.3946 4.168950       6.716571 
1 1 1 18 2  54 o 116.190 1.3214 106.077  2.4069  107.222  3.3308  104.826  3.4819  116.688 1.8208 115.346 1.9256 1.342300       2.650130 
1 1 1 18 2  55 o 10.735  4.3095 0.4664   1.1068  2.3708   1.6684  -1.0301  1.4790  17.127  5.4891 9.4637  4.3502 7.663634       7.003889 
1 1 1 18 2  56 o 14.883  4.1206 1.8383   0.9942  -0.6906  1.4597  4.0266   1.3578  9.8604  4.4499 22.045  4.0791 -12.18491      6.036615 
1 1 1 18 2  57 o 9.1254  3.8847 0.0341   0.9747  0.2913   1.4359  -0.1857  1.3274  11.477  4.7904 10.157  4.4293 1.320275       6.524251 
1 1 1 18 2  58 o 71.461  1.4211 40.181   1.5920  40.571   2.3876  39.869   2.1362  71.639  2.1260 71.072  1.9173 0.5665207      2.862815 
1 1 1 18 2  59 o 41.327  1.8963 13.486   1.2286  12.877   1.8334  13.983   1.6552  40.077  2.9386 41.887  2.5325 -1.810619      3.879324 
1 1 1 18 2  60 o 22.460  3.3680 4.1361   1.1493  5.2446   1.6541  3.1015   1.5980  25.017  4.3771 19.005  5.2087 6.011124       6.803674 
1 1 1 18 2  61 o 17.790  4.2455 2.6868   1.1675  0.5722   1.5314  5.6223   1.8043  12.260  5.0149 25.781  4.6348 -13.52084      6.828649 
1 1 1 18 2  62 o 64.068  1.8099 32.454   1.8178  29.472   2.5303  35.635   2.6133  60.752  2.6567 66.876  2.4926 -6.123920      3.643014 
1 1 1 18 2  63 o 37.215  2.3528 11.071   1.3656  11.769   1.7980  10.120   2.0992  38.133  3.0328 34.985  3.8936 3.148712       4.935356 
1 1 1 18 2  64 o 56.607  1.8603 25.390   1.6509  24.312   2.1134  27.077   2.6443  55.178  2.4432 57.936  2.9208 -2.757511      3.807920 
1 1 1 18 2  65 o 27.230  2.8346 6.0274   1.1923  7.5223   1.5428  3.8107   1.8787  30.268  3.3050 20.606  5.6478 9.662298       6.543769 
1 1 1 18 2  66 o 37.053  2.0302 10.951   1.1748  11.273   1.5650  10.535   1.7781  37.355  2.6904 35.887  3.1940 1.468102       4.176110 
1 1 1 18 2  67 o 7.9709  3.6308 -0.5347  0.9996  -0.4928  1.3476  -0.5860  1.4905  9.5192  4.2876 9.9123  4.4828 -0.3931017     6.203142 
1 1 1 18 2  68 o 43.234  1.8580 14.849   1.2593  16.308   1.7129  13.132   1.8576  45.033  2.4354 40.146  2.9726 4.886841       3.842873 
1 1 1 18 2  69 o 21.397  3.2812 3.8188   1.0655  4.5134   1.4323  2.9580   1.5944  22.930  4.1368 18.152  5.2834 4.777506       6.710203 
1 1 1 18 2  70 o 19.672  3.8446 3.3155   1.1432  2.3863   1.6068  4.2681   1.6268  16.481  5.3952 21.906  4.8638 -5.425091      7.263940 
1 1 1 18 2  71 o 24.972  3.0001 5.1483   1.1510  5.5986   1.6330  4.7038   1.6225  25.456  4.2412 23.081  4.6450 2.375095       6.289955 
1 1 1 18 2  72 o 21.278  4.3987 3.9909   1.4188  3.7589   2.1163  4.1803   1.9122  19.856  6.1583 21.123  5.6601 -1.266926      8.364270 
1 1 1 18 2  73 f 22.628  4.8926 4.6448   1.6850  7.0579   2.4594  2.5101   2.3132  27.244  5.9270 16.941  6.3880 10.30260       8.714126 
1 1 1 18 2  74 o 18.964  5.2805 3.3871   1.6278  3.8198   2.3405  2.9817   2.2656  19.535  6.5171 17.706  6.3827 1.829344       9.122024 
1 1 1 18 3  0  o 120.279 1.9690 113.515  3.7105  113.515  3.7105  113.515  3.7105  120.279 1.9690 120.279 1.9690 0.000000       0.000000 
1 1 1 18 3  1  o 262.443 1.8523 540.127  7.6208  540.650  10.789  539.606  10.766  262.509 2.6217 262.256 2.6186 0.2533569      3.705454 
1 1 1 18 3  2  o 37.431  2.3517 11.034   1.3730  11.257   1.9793  10.827   1.9062  37.716  3.3835 36.990  3.3227 0.7254143      4.742181 
1 1 1 18 3  3  o 169.820 1.5481 226.123  4.1215  223.957  5.5432  228.801  6.1633  168.982 2.0925 170.789 2.3020 -1.807053      3.110872 
1 1 1 18 3  4  o 47.510  2.0403 17.703   1.5196  16.737   2.0483  18.884   2.2662  46.096  2.8485 48.964  2.9664 -2.868210      4.112573 
1 1 1 18 3  5  o 96.327  1.4774 72.753   2.2310  73.325   3.0370  72.083   3.2883  96.693  2.0035 95.865  2.1880 0.8274460      2.966738 
1 1 1 18 3  6  o 92.435  1.4959 66.993   2.1677  62.907   2.8579  72.529   3.3263  89.560  2.0355 96.161  2.2065 -6.601028      3.002034 
1 1 1 18 3  7  o 178.211 1.5775 249.025  4.4071  249.873  5.9808  248.017  6.5191  178.488 2.1374 177.813 2.3387 0.6751862      3.168280 
1 1 1 18 3  8  o 191.024 1.6993 286.139  5.0888  282.340  6.4989  292.159  8.1814  189.727 2.1850 192.963 2.7046 -3.236542      3.476935 
1 1 1 18 3  9  f 158.271 1.5946 196.419  3.9564  198.819  5.6674  194.137  5.5256  159.206 2.2708 157.321 2.2405 1.884277       3.189991 
1 1 1 18 3  10 o 165.857 1.5360 215.695  3.9937  212.651  5.3396  219.559  6.0168  164.660 2.0685 167.301 2.2941 -2.640976      3.088967 
1 1 1 18 3  11 o 138.640 1.5338 150.714  3.3336  155.566  4.7968  146.181  4.6361  140.830 2.1727 136.516 2.1663 4.314117       3.068110 
1 1 1 18 3  12 o 85.085  1.5943 56.767   2.1265  58.406   2.7829  54.467   3.2967  86.294  2.0571 83.320  2.5239 2.974251       3.256053 
1 1 1 18 3  13 o 25.572  3.3674 5.2228   1.3171  3.9050   1.7863  6.7929   1.9497  21.840  5.2763 29.068  4.4176 -7.228260      6.881521 
1 1 1 18 3  14 o 262.639 1.9362 540.995  7.9721  552.074  10.980  528.644  11.593  265.249 2.6406 259.536 2.8494 5.712433       3.884814 
1 1 1 18 3  15 o 112.664 1.4516 99.526   2.5637  97.927   3.4533  101.490  3.8267  111.740 1.9714 113.747 2.1460 -2.007713      2.914051 
1 1 1 18 3  16 o 127.422 1.4559 127.309  2.9082  124.981  3.9173  130.169  4.3407  126.233 1.9795 128.819 2.1495 -2.585983      2.922102 
1 1 1 18 3  17 o 112.781 1.4299 99.733   2.5282  99.797   3.4190  99.656   3.7553  112.801 1.9334 112.714 2.1253 0.8693695E-01  2.873161 
1 1 1 18 3  18 o 78.239  1.5355 48.001   1.8833  46.484   2.5411  49.850   2.8052  76.980  2.1057 79.714  2.2448 -2.734177      3.077838 
1 1 1 18 3  19 o 99.776  1.4485 78.061   2.2657  77.649   3.0462  78.572   3.3894  99.497  1.9530 100.079 2.1604 -0.5818939     2.912275 
1 1 1 18 3  20 o 143.945 1.7176 162.500  3.8760  163.357  5.4616  161.630  5.5016  144.286 2.4146 143.520 2.4452 0.7665710      3.436481 
1 1 1 18 3  21 o 135.006 1.6170 142.937  3.4222  143.737  4.5709  141.916  5.1623  135.357 2.1541 134.480 2.4487 0.8774261      3.261336 
1 1 1 18 3  22 o 66.009  1.8339 34.176   1.8977  36.721   2.5551  31.045   2.8340  68.407  2.3826 62.883  2.8749 5.524277       3.733840 
1 1 1 18 3  23 f 85.034  1.8547 56.718   2.4725  55.697   2.9254  59.271   4.6257  84.252  2.2149 86.854  3.3973 -2.601791      4.055505 
1 1 1 18 3  24 o 58.433  2.1306 26.789   1.9517  28.527   2.5688  24.417   3.0018  60.279  2.7184 55.634  3.4589 4.644699       4.399271 
1 1 1 18 3  25 o 68.883  1.8327 37.220   1.9790  38.807   2.5043  34.582   3.2295  70.321  2.2717 66.349  3.1049 3.971985       3.847178 
1 1 1 18 3  26 o 176.748 1.7174 245.044  4.7587  249.382  6.4463  239.849  7.0544  178.254 2.3069 174.786 2.5745 3.468002       3.456850 
1 1 1 18 3  27 o 122.912 1.5530 118.490  2.9923  111.445  3.8643  129.041  4.7291  119.173 2.0684 128.215 2.3528 -9.042542      3.132735 
1 1 1 18 3  28 o 91.501  1.4416 65.663   2.0679  67.541   3.0168  63.999   2.8400  92.771  2.0743 90.309  2.0060 2.461678       2.885646 
1 1 1 18 3  29 o 87.268  1.4194 59.731   1.9418  62.016   2.7226  57.364   2.7703  88.898  1.9536 85.493  2.0670 3.405006       2.844145 
1 1 1 18 3  30 o 138.336 1.4005 150.098  3.0371  148.082  4.2144  152.277  4.3807  137.362 1.9571 139.290 2.0062 -1.927887      2.802692 
1 1 1 18 3  31 o 145.581 1.4142 166.243  3.2275  167.797  4.5337  164.646  4.5958  146.210 1.9780 144.826 2.0243 1.383987       2.830192 
1 1 1 18 3  32 o 84.571  1.4086 56.105   1.8675  54.819   2.5761  57.530   2.7110  83.566  1.9664 85.603  2.0202 -2.037285      2.819223 
1 1 1 18 3  33 o 31.624  2.5167 7.9095   1.2374  9.8117   1.7798  6.1300   1.7215  35.151  3.2672 27.572  4.1082 7.579649       5.248965 
1 1 1 18 3  34 o 129.202 1.3800 130.960  2.7951  129.773  3.8887  132.229  4.0203  128.561 1.9295 129.766 1.9763 -1.205124      2.761991 
1 1 1 18 3  35 o 117.960 1.3748 109.170  2.5423  112.159  3.5723  106.102  3.6188  119.512 1.9067 116.231 1.9860 3.280289       2.753133 
1 1 1 18 3  36 o 71.285  1.5357 39.882   1.7161  41.631   2.2772  37.582   2.6108  72.800  1.9953 69.135  2.4089 3.664536       3.127959 
1 1 1 18 3  37 f 42.385  1.9720 14.113   1.3103  15.083   1.7225  12.782   2.0185  43.713  2.5244 40.132  3.2358 3.580776       4.104038 
1 1 1 18 3  38 o 66.702  1.5629 34.927   1.6343  34.563   2.1529  35.422   2.5106  66.315  2.0709 67.104  2.3866 -0.7895050     3.159796 
1 1 1 18 3  39 o 26.055  2.9522 5.4196   1.1846  5.8831   1.5701  4.8072   1.8047  27.006  3.8149 24.145  4.9345 2.861481       6.237255 
1 1 1 18 3  40 o 68.644  1.5478 36.998   1.6656  36.009   2.1700  38.417   2.5986  67.677  2.0454 69.867  2.3725 -2.190140      3.132474 
1 1 1 18 3  41 o 23.983  3.3211 4.6307   1.2152  3.4770   1.6244  6.0964   1.8311  20.465  5.0857 27.354  4.4208 -6.889135      6.738492 
1 1 1 18 3  42 o 64.177  1.5724 32.348   1.5819  32.498   2.1199  32.159   2.3762  64.274  2.1039 63.908  2.3718 0.3660622      3.170489 
1 1 1 18 3  43 o 38.360  2.1004 11.612   1.2583  10.743   1.6248  12.914   1.9889  36.787  2.8395 40.295  3.1742 -3.508209      4.258888 
1 1 1 18 3  44 o 41.992  1.9576 13.869   1.2886  14.687   1.6798  12.700   2.0089  43.094  2.4972 39.937  3.2366 3.156967       4.087946 
1 1 1 18 3  45 o 34.910  2.2821 9.6403   1.2421  12.216   1.6370  6.1457   1.9069  39.254  2.6761 27.374  4.6070 11.87995       5.327873 
1 1 1 18 3  46 o 44.386  2.1688 15.515   1.5091  15.177   1.9293  16.047   2.4221  43.740  2.8288 44.848  3.4721 -1.108231      4.478621 
1 1 1 18 3  47 o 28.169  2.6986 6.3232   1.1771  6.0687   1.5474  6.6726   1.8134  27.393  3.6980 28.637  4.1612 -1.243809      5.566955 
1 1 1 18 3  48 o 42.317  1.9744 14.096   1.3098  13.434   1.8972  14.700   1.8105  41.097  2.9647 43.052  2.6962 -1.954632      4.007307 
1 1 1 18 3  49 o 25.871  2.9791 5.3675   1.1862  4.5934   1.7344  6.0478   1.6259  23.480  4.8714 27.275  3.9146 -3.794767      6.249415 
1 1 1 18 3  50 f 22.703  3.0906 4.1592   1.0714  2.5522   1.6409  5.3533   1.4145  17.677  5.4130 25.692  3.6116 -8.015137      6.507209 
1 1 1 18 3  51 o 53.612  1.6525 22.608   1.3888  22.252   2.1637  22.858   1.8112  53.051  2.6017 53.843  2.1458 -0.7917862     3.372384 
1 1 1 18 3  52 o 46.547  1.7031 17.050   1.2428  19.818   1.8777  14.892   1.6579  50.087  2.3913 43.343  2.4499 6.744164       3.423520 
1 1 1 18 3  53 o 20.684  3.7198 3.5192   1.1618  1.8696   1.9283  4.4594   1.4557  16.251  5.8837 23.237  4.1482 -6.986574      7.199016 
1 1 1 18 3  54 o 50.526  1.8818 20.121   1.4905  17.309   2.6822  21.378   1.7929  46.352  3.7226 52.028  2.1982 -5.675396      4.323148 
1 1 1 18 3  55 o 46.217  1.9109 16.846   1.3845  17.998   2.3932  16.267   1.6974  47.396  3.2404 45.274  2.4002 2.121849       4.032500 
1 1 1 18 3  56 o 31.434  2.3378 7.8638   1.1438  7.9553   1.8329  7.8054   1.4637  31.231  3.8235 31.156  3.0354 0.7552147E-01  4.881905 
1 1 1 18 3  57 o 45.303  1.9602 16.209   1.3921  15.335   1.9944  17.039   1.9441  43.772  2.9233 46.219  2.6947 -2.447655      3.975871 
1 1 1 18 3  58 o 58.526  1.6627 27.007   1.5255  30.834   2.3764  24.324   1.9896  62.327  2.4321 55.397  2.2910 6.930252       3.341217 
1 1 1 18 3  59 o 22.559  3.3300 4.1717   1.1422  3.2814   1.7945  4.7782   1.4810  19.487  5.5859 23.931  4.0949 -4.443901      6.926079 
1 1 1 18 3  60 o 28.570  2.5486 6.5515   1.1295  8.2042   1.8626  5.5903   1.4204  31.564  3.8437 26.072  3.5689 5.491039       5.245111 
1 1 1 18 3  61 o 27.505  2.8361 6.1206   1.2054  8.2340   1.8648  4.6041   1.5797  31.571  3.8475 23.258  4.4953 8.313080       5.916965 
1 1 1 18 3  62 o 41.074  2.1033 13.432   1.3497  14.475   2.2548  12.850   1.6850  42.105  3.4462 39.968  2.7052 2.137608       4.381126 
1 1 1 18 3  63 o 38.720  2.4508 12.025   1.4800  13.479   1.9512  10.055   2.2710  40.744  3.0776 34.591  4.2793 6.152897       5.271001 
1 1 1 18 3  64 f 26.783  3.3578 5.9207   1.3788  5.5999   1.8252  6.3470   2.1043  25.425  4.7542 26.885  5.1807 -1.459759      7.031474 
1 1 1 18 3  65 o 25.645  3.4529 5.4621   1.3529  6.3927   1.8749  4.4512   1.9542  27.260  4.5474 22.178  5.6152 5.081686       7.225593 
1 1 1 18 3  66 o 34.760  2.5278 9.7501   1.3680  8.2233   1.8859  11.446   1.9874  31.273  3.9338 37.237  3.4436 -5.963537      5.228127 
1 1 1 18 3  67 o 21.258  3.7261 3.8291   1.1965  4.3186   1.5697  3.1503   1.8485  22.186  4.6612 18.647  5.7509 3.538832       7.402715 
1 1 1 18 3  68 o 27.036  3.0263 6.0109   1.2606  6.8969   1.6954  4.9153   1.8853  28.573  3.8857 23.354  5.2743 5.219337       6.551135 
1 1 1 18 3  69 o 55.534  1.7411 24.491   1.5158  24.968   2.1287  24.001   2.1590  55.727  2.4367 54.588  2.5229 1.138340       3.507491 
1 1 1 18 3  70 o 9.9324  4.3173 -0.0032  1.2525  0.5278   1.9125  -0.4020  1.6574  12.830  5.4512 10.656  4.7811 2.173850       7.250829 
1 1 1 18 3  71 o 8.1415  3.8946 -1.6624  1.4073  -1.4229  2.5122  -1.7720  1.6990  11.846  5.5226 9.1001  4.3325 2.745514       7.019249 
1 1 1 18 3  72 o 15.377  5.5437 2.0350   1.7092  2.8892   2.3258  1.0320   2.5201  17.680  6.4525 14.668  6.2454 3.012385       8.979984 
1 1 1 18 3  73 f 22.863  5.2328 4.8935   1.8350  6.2308   2.6922  3.7332   2.5077  24.562  6.7728 19.244  6.7368 5.318132       9.552746 
1 1 1 18 4  0  o 86.839  2.3123 59.256   3.1428  59.256   3.1428  59.256   3.1428  86.839  2.3123 86.839  2.3123 0.000000       0.000000 
1 1 1 18 4  1  o 164.096 1.6208 211.153  4.1694  210.150  5.8841  212.165  5.9087  163.673 2.2933 164.456 2.2919 -0.7826691     3.242173 
1 1 1 18 4  2  o 158.574 1.6031 197.178  3.9852  195.504  5.5976  198.897  5.6750  157.869 2.2618 159.232 2.2734 -1.363190      3.206906 
1 1 1 18 4  3  o 87.244  1.6107 59.686   2.2030  58.175   3.0694  61.291   3.1636  86.116  2.2737 88.392  2.2830 -2.276428      3.222076 
1 1 1 18 4  4  o 183.700 1.6094 264.615  4.6346  260.870  6.2028  269.349  6.9734  182.365 2.1697 185.290 2.4007 -2.924744      3.235862 
1 1 1 18 4  5  o 53.847  1.9083 22.740   1.6109  20.864   2.1404  25.190   2.4464  51.496  2.6604 56.656  2.7544 -5.160793      3.829436 
1 1 1 18 4  6  o 178.153 1.5931 248.876  4.4492  252.604  6.1002  244.639  6.5034  179.452 2.1684 176.588 2.3492 2.863403       3.197013 
1 1 1 18 4  7  o 60.234  1.9143 28.455   1.8076  27.831   2.3223  29.415   2.8794  59.558  2.4872 61.216  3.0004 -1.657295      3.897297 
1 1 1 18 4  8  o 65.142  1.7038 33.278   1.7400  32.189   2.3370  34.631   2.6063  64.055  2.3273 66.436  2.5025 -2.380600      3.417400 
1 1 1 18 4  9  o 122.591 1.5480 117.845  2.9750  122.656  4.2245  113.112  4.1901  125.046 2.1551 120.079 2.2259 4.966599       3.098209 
1 1 1 18 4  10 o 379.736 2.6838 1131.63  15.977  1130.69  22.556  1132.58  22.633  379.353 3.7928 379.668 3.8027 -0.3144531     5.370804 
1 1 1 18 4  11 o 161.166 1.5364 203.678  3.8819  208.122  5.3404  198.701  5.6525  162.887 2.0914 159.148 2.2656 3.739395       3.083347 
1 1 1 18 4  12 o 146.281 1.4977 167.790  3.4346  169.467  4.6772  165.827  5.0598  146.986 2.0298 145.389 2.2200 1.597122       3.008051 
1 1 1 18 4  13 o 204.741 1.8672 328.773  5.9932  326.742  7.9833  331.396  9.0720  204.058 2.4956 205.476 2.8164 -1.417252      3.762972 
1 1 1 18 4  14 o 97.922  1.6307 75.195   2.5033  77.285   3.3605  72.590   3.7523  99.255  2.1597 96.180  2.4886 3.075111       3.295091 
1 1 1 18 4  15 o 176.664 1.7451 244.772  4.8330  235.324  6.2882  258.409  7.5546  173.184 2.3161 181.452 2.6558 -8.267670      3.523885 
1 1 1 18 4  16 o 223.961 2.0621 393.476  7.2400  393.736  10.150  393.207  10.330  223.948 2.8911 223.791 2.9445 0.1568756      4.126566 
1 1 1 18 4  17 o 135.853 1.8082 144.756  3.8510  145.354  5.0961  143.960  5.8800  136.100 2.3885 135.421 2.7697 0.6798096      3.657369 
1 1 1 18 4  18 o 137.189 1.8189 147.623  3.9118  147.622  5.1692  147.623  5.9840  137.155 2.4041 137.128 2.7836 0.2661133E-01  3.678082 
1 1 1 18 4  19 f 200.992 1.8296 316.874  5.7648  319.533  7.7813  313.638  8.5830  201.777 2.4600 199.876 2.7392 1.900543       3.681648 
1 1 1 18 4  20 o 187.238 1.6893 274.969  4.9585  279.109  7.0421  270.898  6.9830  188.585 2.3820 185.789 2.3976 2.795990       3.379675 
1 1 1 18 4  21 o 41.225  2.2956 13.379   1.4777  11.111   1.9972  16.122   2.1966  37.443  3.4410 45.195  3.1194 -7.752396      4.644535 
1 1 1 18 4  22 o 131.536 1.4611 135.686  3.0129  141.223  4.5068  131.211  4.0512  134.154 2.1430 129.320 1.9983 4.833649       2.930107 
1 1 1 18 4  23 o 122.893 1.4053 118.440  2.7074  119.208  3.8028  117.650  3.8554  123.262 1.9680 122.451 2.0084 0.8106766      2.811865 
1 1 1 18 4  24 o 64.155  1.6749 32.286   1.6845  32.637   2.2494  31.837   2.5418  64.485  2.2251 63.676  2.5463 0.8087044      3.381540 
1 1 1 18 4  25 f 66.809  1.6203 35.012   1.6971  34.953   2.2606  35.088   2.5689  66.733  2.1609 66.849  2.4513 -0.1163330     3.267715 
1 1 1 18 4  26 o 132.240 1.4627 137.161  3.0322  133.167  4.0148  142.464  4.6264  130.266 1.9660 134.717 2.1906 -4.451019      2.943417 
1 1 1 18 4  27 o 60.935  1.6727 29.131   1.5979  30.256   2.1418  27.718   2.3996  62.080  2.2008 59.401  2.5768 2.678387       3.388742 
1 1 1 18 4  28 o 57.813  1.7254 26.226   1.5637  26.718   2.0900  25.600   2.3569  58.329  2.2856 57.079  2.6340 1.250347       3.487393 
1 1 1 18 4  29 o 94.329  1.4544 69.802   2.1508  67.147   2.8116  73.548   3.3394  92.489  1.9391 96.777  2.2011 -4.288208      2.933477 
1 1 1 18 4  30 o 40.715  2.1415 13.054   1.3621  15.078   1.8235  10.501   2.0486  43.713  2.6738 36.322  3.6471 7.390999       4.522227 
1 1 1 18 4  31 o 124.763 1.4956 122.133  2.9251  119.873  3.7335  125.724  4.7072  123.563 1.9274 126.488 2.3739 -2.924934      3.057825 
1 1 1 18 4  32 o 87.857  1.4638 60.565   2.0161  61.036   2.6839  59.956   3.0543  88.163  1.9419 87.354  2.2304 0.8093491      2.957300 
1 1 1 18 4  33 o 107.553 1.3806 90.762   2.3277  91.170   3.2275  90.320   3.3604  107.746 1.9108 107.233 1.9990 0.5131073      2.765315 
1 1 1 18 4  34 o 112.727 1.3234 99.703   2.3387  95.359   3.0732  105.681  3.6049  110.200 1.7789 115.986 1.9826 -5.786003      2.663661 
1 1 1 18 4  35 o 8.2117  3.7079 -0.5430  1.0152  0.4150   1.3467  -1.8040  1.5450  11.578  4.7155 8.8656  4.1948 2.712250       6.311307 
1 1 1 18 4  36 o 36.038  2.0680 10.242   1.1634  10.337   1.5381  10.114   1.7787  36.126  2.7362 35.660  3.2163 0.4656067      4.222766 
1 1 1 18 4  37 o 72.090  1.4197 40.793   1.6045  40.852   2.1177  40.712   2.4584  72.106  1.8735 71.952  2.1795 0.1546021      2.874029 
1 1 1 18 4  38 o 72.175  1.4194 40.892   1.6060  40.942   2.1519  40.829   2.4130  72.177  1.9018 72.052  2.1363 0.1244659      2.860183 
1 1 1 18 4  39 o 44.457  1.8447 15.533   1.2856  15.392   1.7864  15.684   1.8516  44.123  2.5940 44.531  2.6646 -0.4082222     3.718764 
1 1 1 18 4  40 o 108.754 1.3801 92.853   2.3529  88.696   3.2176  97.631   3.4495  106.212 1.9324 111.426 1.9748 -5.213608      2.762937 
1 1 1 18 4  41 o 47.059  1.8554 17.410   1.3688  18.387   1.9800  16.515   1.8944  48.219  2.6292 45.687  2.6565 2.532143       3.737663 
1 1 1 18 4  42 o 69.544  1.5364 37.991   1.6750  36.793   2.4179  39.097   2.3225  68.354  2.2564 70.483  2.1020 -2.128960      3.083770 
1 1 1 18 4  43 o 39.224  2.0609 12.142   1.2628  12.528   1.8117  11.777   1.7611  39.710  2.9309 38.492  2.9408 1.217800       4.151945 
1 1 1 18 4  44 o 9.8410  4.2021 -0.0069  1.1468  -0.4187  1.5146  0.5464   1.7555  10.568  4.6658 13.126  5.3693 -2.557652      7.113307 
1 1 1 18 4  45 o 76.757  1.6743 46.318   2.0147  48.429   3.5278  45.295   2.4543  78.262  2.8754 75.847  2.0641 2.415100       3.539583 
1 1 1 18 4  46 o 25.916  2.9395 5.3808   1.1731  4.5357   1.6465  6.2521   1.6719  23.389  4.6543 27.740  3.9567 -4.351219      6.108829 
1 1 1 18 4  47 o 61.857  1.6983 30.092   1.6469  31.709   2.2801  28.329   2.3812  63.411  2.2937 59.896  2.5360 3.515038       3.419411 
1 1 1 18 4  48 o 50.659  1.9167 20.205   1.5222  24.445   2.1301  15.780   2.1760  55.644  2.4418 44.497  3.1396 11.14766       3.977390 
1 1 1 18 4  49 f 14.221  4.6743 1.5706   1.2056  1.7243   1.6359  1.3879   1.7838  15.411  5.4376 14.907  5.6118 0.5045652      7.814070 
1 1 1 18 4  50 o 43.226  2.0966 14.733   1.4207  14.810   1.9071  14.637   2.1297  43.143  2.8355 42.803  3.1970 0.3397446      4.273290 
1 1 1 18 4  51 o 28.698  2.8019 6.5886   1.2445  6.1850   1.6846  7.0734   1.8465  27.501  4.0267 29.419  4.1164 -1.918070      5.758377 
1 1 1 18 4  52 o 10.683  4.5608 0.0337   1.3504  -1.8252  2.1485  1.2476   1.7362  10.969  5.1116 14.425  5.5113 -3.455944      7.516891 
1 1 1 18 4  53 o 24.816  3.7352 5.0398   1.4081  3.9896   2.0045  6.0628   1.9784  21.590  5.7993 26.920  4.8671 -5.329983      7.571031 
1 1 1 18 4  54 o 54.355  2.0156 23.326   1.7175  22.659   2.4082  24.016   2.4501  53.295  2.8932 54.883  2.8575 -1.588177      4.066475 
1 1 1 18 4  55 o 63.329  1.9060 31.656   1.8923  33.221   3.1483  30.771   2.3677  64.504  3.1134 62.304  2.4242 2.199768       3.945869 
1 1 1 18 4  56 o 28.464  2.8954 6.5238   1.2740  8.4242   1.9855  5.1939   1.6609  32.017  4.0462 24.914  4.4142 7.102583       5.988073 
1 1 1 18 4  57 o 28.746  3.0762 6.6847   1.3648  7.3308   2.0148  6.1369   1.8552  29.636  4.4762 27.045  4.5362 2.590704       6.372868 
1 1 1 18 4  58 o 41.589  2.0601 13.698   1.3431  17.053   1.9316  10.557   1.8689  46.166  2.6804 36.069  3.3433 10.09769       4.285077 
1 1 1 18 4  59 o 9.2269  4.0062 -0.0926  1.0762  2.1343   1.5998  -1.9334  1.4545  16.141  5.3882 8.2029  3.9332 7.937692       6.671061 
1 1 1 18 4  60 o 25.468  2.9349 5.2735   1.1503  4.6793   1.6782  5.8000   1.5799  23.324  4.7512 26.367  3.9432 -3.043812      6.174368 
1 1 1 18 4  61 o 38.232  2.1061 11.650   1.2574  12.696   1.8858  10.812   1.6872  39.560  3.0646 36.528  2.9722 3.032070       4.269156 
1 1 1 18 4  62 o 21.458  3.7315 3.8713   1.2096  3.2263   1.8715  4.3341   1.5853  19.032  5.7709 22.353  4.6744 -3.320599      7.426590 
1 1 1 18 4  63 o 33.162  2.4587 8.8516   1.2691  12.440   1.9996  6.4307   1.6423  38.960  3.3051 27.676  3.8929 11.28365       5.106680 
1 1 1 18 4  64 o 42.928  2.0553 14.675   1.3832  17.232   2.1823  12.959   1.7882  45.998  3.0436 39.947  2.8747 6.051041       4.186557 
1 1 1 18 4  65 o 22.848  3.7200 4.4075   1.2866  4.8708   1.8365  3.9608   1.8031  23.355  5.1540 20.898  5.4479 2.456993       7.499536 
1 1 1 18 4  66 o 20.828  4.7350 3.8361   1.5110  4.0378   1.6986  3.0712   3.3079  21.186  5.1618 19.187  7.5315 1.999481       9.130637 
1 1 1 18 4  67 o 32.617  3.4832 8.8525   1.7535  8.2806   1.8566  13.580   5.3378  31.332  3.8615 34.660  9.5282 -3.327833      10.28089 
1 1 1 18 4  68 o 32.833  3.0868 8.8759   1.5702  9.0276   1.6511  7.4411   5.0778  33.041  3.2288 25.405  9.4871 7.636600       10.02144 
1 1 1 18 4  69 f 14.012  5.1769 1.5324   1.5040  0.5799   1.7849  3.8649   2.7932  12.581  5.3015 20.000  7.1000 -7.419370      8.860883 
1 1 1 18 4  70 o 16.179  5.5333 2.3337   1.6875  3.0154   2.2553  1.4665   2.5436  18.016  6.3815 15.435  6.4034 2.580670       9.040315 
1 1 1 18 4  71 o 13.621  5.4230 1.2550   1.7377  0.1414   2.1637  3.2783   2.9165  12.660  5.5836 18.582  7.1327 -5.921773      9.058248 
1 1 1 18 4  72 f 13.687  5.1138 1.5123   1.4758  1.6599   1.9885  1.3313   2.2018  14.704  5.8179 14.418  5.9676 0.2863302      8.334275 
1 1 1 18 5  0  o 23.747  6.2759 5.2571   2.0185  5.2571   2.0185  5.2571   2.0185  23.747  6.2759 23.747  6.2759 0.000000       0.000000 
1 1 1 18 5  1  f 81.708  1.6590 52.356   2.1251  54.597   3.0199  50.158   2.9909  83.419  2.3093 79.954  2.3862 3.465240       3.320650 
1 1 1 18 5  2  o 231.362 1.8969 419.846  6.8799  412.601  9.5912  427.525  9.8743  229.285 2.6684 233.391 2.6988 -4.106476      3.795196 
1 1 1 18 5  3  o 144.645 1.5911 164.071  3.6079  161.527  5.0159  166.798  5.1934  143.488 2.2299 145.808 2.2721 -2.319885      3.183473 
1 1 1 18 5  4  o 178.313 1.6818 249.352  4.7013  249.141  6.6291  249.566  6.6684  178.192 2.3731 178.343 2.3851 -0.1513062     3.364571 
1 1 1 18 5  5  o 21.339  4.4860 3.7170   1.4531  3.3203   2.0243  4.1388   2.0871  20.344  5.9623 22.495  5.8598 -2.151773      8.359792 
1 1 1 18 5  6  o 91.611  1.7998 65.823   2.5848  65.743   3.6263  65.905   3.6852  91.529  2.5273 91.640  2.5652 -0.1107941     3.601079 
1 1 1 18 5  7  o 48.362  2.3854 18.352   1.8085  19.294   2.5349  17.377   2.5809  49.454  3.2884 46.896  3.5366 2.557949       4.829181 
1 1 1 18 5  8  o 207.663 2.1474 338.316  6.9909  349.497  10.942  330.604  9.0875  210.940 3.3089 205.217 2.8247 5.722839       4.350655 
1 1 1 18 5  9  o 130.845 1.6658 134.267  3.4170  136.540  4.5852  131.427  5.1243  131.921 2.2171 129.409 2.5259 2.511963       3.360913 
1 1 1 18 5  10 o 53.801  2.5769 22.718   2.1734  21.966   2.6000  24.464   3.9600  52.792  3.1561 55.565  4.5872 -2.772549      5.568013 
1 1 1 18 5  11 o 202.980 2.4801 323.342  7.8919  321.472  8.7692  331.309  18.101  202.362 2.7643 204.942 5.6341 -2.580322      6.275663 
1 1 1 18 5  12 o 98.319  1.6743 75.813   2.5806  76.545   3.4263  74.855   3.9229  98.771  2.2128 97.658  2.5624 1.113129       3.385631 
1 1 1 18 5  13 o 112.201 1.6416 98.733   2.8875  97.876   3.8190  99.877   4.4120  111.689 2.1811 112.808 2.4948 -1.119141      3.313856 
1 1 1 18 5  14 o 56.790  2.0334 25.302   1.8103  25.647   2.3990  24.847   2.7588  57.157  2.6773 56.154  3.1466 1.003227       4.131478 
1 1 1 18 5  15 o 114.979 1.6245 103.684  2.9281  102.880  3.8861  104.740  4.4535  114.506 2.1649 115.519 2.4592 -1.012650      3.276343 
1 1 1 18 5  16 f 134.365 1.5008 141.587  3.1613  145.198  4.2921  137.305  4.6738  136.040 2.0125 132.275 2.2539 3.764694       3.021663 
1 1 1 18 5  17 o 149.380 1.5986 175.015  3.7435  178.715  5.3456  171.454  5.2440  150.906 2.2596 147.808 2.2631 3.097870       3.198082 
1 1 1 18 5  18 o 75.377  1.6083 44.564   1.9005  43.863   2.5196  45.488   2.8947  74.763  2.1497 76.124  2.4257 -1.360565      3.241170 
1 1 1 18 5  19 o 226.620 1.8833 402.919  6.6906  381.691  8.9841  429.350  10.025  220.478 2.5993 233.816 2.7350 -13.33789      3.773136 
1 1 1 18 5  20 o 105.920 1.4929 87.991   2.4790  88.209   3.3152  87.715   3.7335  106.025 1.9946 105.713 2.2529 0.3126678      3.008944 
1 1 1 18 5  21 o 190.366 1.5719 284.257  4.6911  280.879  6.5355  287.847  6.7376  189.167 2.2038 191.495 2.2444 -2.327118      3.145504 
1 1 1 18 5  22 f 176.660 1.5258 244.798  4.2257  243.819  5.9532  245.791  5.9993  176.245 2.1547 176.955 2.1626 -0.7105865     3.052783 
1 1 1 18 5  23 o 141.009 1.4288 155.957  3.1584  150.367  4.3520  162.178  4.5908  138.415 2.0056 143.745 2.0372 -5.330597      2.858817 
1 1 1 18 5  24 o 55.298  1.8029 23.995   1.5629  22.438   2.0635  26.091   2.3937  53.447  2.4628 57.625  2.6497 -4.177853      3.617512 
1 1 1 18 5  25 o 85.172  1.4358 56.904   1.9170  56.757   2.6899  57.057   2.7328  85.030  2.0179 85.252  2.0448 -0.2225189     2.872845 
1 1 1 18 5  26 o 97.210  1.4070 74.129   2.1442  76.024   3.0057  72.165   3.0598  98.410  1.9483 95.873  2.0358 2.537209       2.817875 
1 1 1 18 5  27 o 88.400  1.4270 61.306   1.9776  62.059   2.7638  60.517   2.8309  88.905  1.9830 87.789  2.0570 1.116722       2.857182 
1 1 1 18 5  28 o 31.946  2.4534 8.0683   1.2193  8.5363   1.6551  7.5128   1.8031  32.761  3.2662 30.622  3.8405 2.139345       5.041631 
1 1 1 18 5  29 o 13.641  4.5601 1.3882   1.1459  1.4067   1.5801  1.3676   1.6641  14.654  5.3230 14.755  5.4466 -0.1012220     7.615811 
1 1 1 18 5  30 o 107.069 1.3889 89.947   2.3312  89.486   3.2578  90.431   3.3374  106.742 1.9469 107.300 1.9841 -0.5580902     2.779704 
1 1 1 18 5  31 f 78.157  1.4944 47.940   1.8310  48.731   2.5001  47.025   2.6891  78.758  2.0249 77.349  2.2177 1.408340       3.003057 
1 1 1 18 5  32 o 76.948  1.5879 46.481   1.9154  47.713   2.4651  44.602   3.0429  77.925  2.0179 75.284  2.5783 2.641266       3.274070 
1 1 1 18 5  33 o 45.165  1.8672 16.025   1.3221  15.007   1.7854  17.261   1.9672  43.582  2.6255 46.741  2.6961 -3.159660      3.763278 
1 1 1 18 5  34 o 63.327  1.7093 31.497   1.6969  32.208   2.5613  30.940   2.2654  63.961  2.5545 62.715  2.3042 1.245918       3.440164 
1 1 1 18 5  35 o 19.495  3.9663 3.1195   1.1709  5.5531   1.6947  0.8966   1.6197  26.116  4.2882 13.503  5.2788 12.61327       6.801091 
1 1 1 18 5  36 o 98.826  1.4489 76.676   2.2448  75.752   3.2344  77.535   3.1180  98.142  2.1022 99.306  2.0029 -1.163513      2.903584 
1 1 1 18 5  37 f 20.238  3.8716 3.3548   1.1836  2.4773   1.7278  4.1305   1.6246  17.654  5.5784 22.340  4.7831 -4.686331      7.348218 
1 1 1 18 5  38 o 104.993 1.4568 86.562   2.3977  82.034   3.4047  91.017   3.3773  102.106 2.1270 107.575 2.0026 -5.468399      2.921434 
1 1 1 18 5  39 o 75.341  1.5442 44.587   1.8238  43.882   2.6486  45.223   2.5151  74.651  2.2632 75.805  2.1164 -1.154083      3.098602 
1 1 1 18 5  40 o 24.595  3.0136 4.8514   1.1376  6.4126   1.5963  3.2404   1.6216  28.190  3.7018 19.728  5.1779 8.461601       6.365036 
1 1 1 18 5  41 o 58.216  1.6096 26.633   1.4690  28.880   2.0807  24.400   2.0741  60.557  2.1918 55.639  2.3780 4.917740       3.233997 
1 1 1 18 5  42 o 16.719  4.2112 2.3168   1.1032  1.9378   1.4919  2.7740   1.6386  15.803  5.2000 18.353  5.3603 -2.549764      7.468100 
1 1 1 18 5  43 o 65.468  1.6082 33.689   1.6505  35.314   2.2029  31.610   2.4921  66.962  2.0985 63.289  2.5118 3.673412       3.273037 
1 1 1 18 5  44 o 40.871  1.9733 13.150   1.2643  12.991   1.7584  13.321   1.8193  40.440  2.7907 40.942  2.8523 -0.5019341     3.990442 
1 1 1 18 5  45 o 70.492  1.4821 39.050   1.6378  37.421   2.2590  40.854   2.3779  68.918  2.0909 72.008  2.1065 -3.089676      2.968053 
1 1 1 18 5  46 o 70.226  1.5027 38.764   1.6543  39.468   2.3149  38.030   2.3651  70.770  2.0866 69.453  2.1722 1.316589       3.012011 
1 1 1 18 5  47 o 41.732  2.0445 13.725   1.3375  15.363   1.7555  11.457   2.0651  44.014  2.5552 37.772  3.5284 6.241997       4.356465 
1 1 1 18 5  48 o 20.990  3.5901 3.6075   1.1389  3.4655   1.5327  3.7826   1.7018  20.308  4.8759 21.177  5.1710 -0.8692379     7.107280 
1 1 1 18 5  49 o 30.688  2.5260 7.4988   1.2044  8.9406   1.6364  5.7944   1.7791  33.389  3.1641 26.484  4.4425 6.904764       5.454066 
1 1 1 18 5  50 o 28.673  2.7035 6.5723   1.2009  7.6788   1.6521  5.3328   1.7486  30.828  3.4793 25.324  4.5727 5.504021       5.745872 
1 1 1 18 5  51 o 35.912  2.5941 10.272   1.4506  8.4041   1.8911  12.942   2.2608  32.148  3.8277 40.044  3.6413 -7.895702      5.282977 
1 1 1 18 5  52 o 13.092  4.7909 1.1628   1.2834  2.4176   1.7005  -0.4979  1.9563  17.219  5.5440 11.901  5.2759 5.318213       7.653187 
1 1 1 18 5  53 o 93.831  1.7685 69.421   2.6014  76.614   3.7536  62.774   3.6086  98.311  2.4355 88.925  2.5886 9.385536       3.554214 
1 1 1 18 5  54 f 35.547  2.3857 10.063   1.3217  11.363   1.8909  8.8216   1.8483  37.541  3.2448 32.918  3.6426 4.622574       4.878281 
1 1 1 18 5  55 o 41.873  2.1288 13.916   1.3928  15.013   1.9726  12.824   1.9668  43.263  2.9257 39.890  3.1714 3.373863       4.314745 
1 1 1 18 5  56 o 36.333  2.5117 10.551   1.4219  11.558   1.9268  9.3482   2.1068  37.782  3.2858 33.656  4.0763 4.126389       5.235738 
1 1 1 18 5  57 o 32.803  2.9575 8.6902   1.5045  7.8087   1.9796  9.8955   2.3148  30.609  4.2393 34.448  4.3860 -3.838541      6.099911 
1 1 1 18 5  58 f 30.892  3.3109 7.7900   1.5784  5.0924   2.4095  9.8180   2.0891  23.743  6.3500 34.453  3.9386 -10.71055      7.472294 
1 1 1 18 5  59 o 28.093  3.1197 6.4406   1.3507  8.5252   2.4292  5.5076   1.6251  31.443  5.1031 25.544  4.2045 5.898647       6.612104 
1 1 1 18 5  60 o 32.569  2.5459 8.5403   1.2895  9.2435   2.0666  8.0920   1.6501  33.248  4.0486 31.371  3.4103 1.877563       5.293516 
1 1 1 18 5  61 o 24.480  3.2805 4.9514   1.2273  7.0660   1.8534  3.3003   1.6378  28.886  4.2172 19.257  5.2713 9.629381       6.750706 
1 1 1 18 5  62 o 23.694  3.2898 4.6539   1.1890  4.3237   1.7174  4.9579   1.6477  22.069  5.0706 23.915  4.5615 -1.846182      6.820439 
1 1 1 18 5  63 o 31.111  2.7392 7.8648   1.3223  7.0281   1.9512  8.5755   1.7983  28.560  4.5075 32.078  3.6405 -3.517954      5.794020 
1 1 1 18 5  64 o 8.7981  3.9515 -0.3938  1.1352  0.5903   1.8345  -1.0044  1.4451  12.838  5.3903 9.1273  4.2326 3.710432       6.853520 
1 1 1 18 5  65 f 13.232  4.5340 1.4232   1.1330  0.2227   1.8223  2.1797   1.4466  12.158  5.2460 15.816  5.1157 -3.657971      7.327375 
1 1 1 18 5  66 o 31.225  2.4901 7.8970   1.2088  7.1542   1.9622  8.3513   1.5345  28.696  4.5108 31.834  3.1148 -3.137899      5.481708 
1 1 1 18 5  67 o 29.464  2.8102 7.1097   1.2823  7.6737   1.8294  6.5650   1.7979  30.000  3.9887 27.538  4.3056 2.461933       5.869256 
1 1 1 18 5  68 f 13.047  4.6470 1.3609   1.1975  1.6652   1.7216  1.0757   1.6668  14.610  5.5104 13.225  5.2958 1.385276       7.642694 
1 1 1 18 5  69 o 26.887  3.3195 6.0695   1.3695  6.5276   1.8753  5.5461   2.0046  27.142  4.5696 24.441  5.3779 2.700609       7.057093 
1 1 1 18 5  70 o 11.928  4.8295 0.8074   1.4029  0.1283   2.0570  1.3980   1.9182  12.345  5.4445 14.163  5.6778 -1.817969      7.866395 
1 1 1 18 5  71 o 29.976  3.5273 7.6731   1.6259  9.7158   2.2174  5.2980   2.3910  33.076  4.3845 22.715  6.4263 10.36062       7.779564 
1 1 1 18 6  0  o 16.858  9.3480 3.0764   3.6336  3.0764   3.6336  3.0764   3.6336  16.858  9.3480 16.858  9.3480 0.000000       0.000000 
1 1 1 18 6  1  o 68.652  3.4183 37.037   3.6788  34.927   6.3722  38.091   4.5055  66.191  6.2137 69.457  4.1570 -3.266090      7.476017 
1 1 1 18 6  2  o 75.055  2.9677 44.240   3.4918  47.564   7.1830  43.211   3.9957  77.373  5.9681 74.153  3.4372 3.219727       6.887113 
1 1 1 18 6  3  o 97.295  2.6040 74.310   3.9717  75.173   8.4433  74.065   4.5008  97.447  5.5500 97.113  2.9564 0.3338242      6.288279 
1 1 1 18 6  4  o 149.701 2.1476 175.840  5.0400  179.526  9.1691  174.243  6.0332  151.089 3.8711 148.986 2.5831 2.103058       4.653840 
1 1 1 18 6  5  o 129.420 1.8008 131.384  3.6535  129.210  5.1241  133.631  5.2107  128.299 2.5476 130.475 2.5475 -2.176178      3.602827 
1 1 1 18 6  6  o 193.917 2.1150 295.050  6.4295  291.103  8.4590  300.450  9.8939  192.543 2.8025 195.553 3.2274 -3.009964      4.274316 
1 1 1 18 6  7  o 76.861  1.8440 46.342   2.2219  43.448   3.3110  48.712   2.9968  74.383  2.8394 78.780  2.4265 -4.396461      3.735037 
1 1 1 18 6  8  o 93.285  1.6608 68.254   2.4288  64.881   3.8828  70.422   3.1130  90.902  2.7247 94.737  2.0961 -3.835594      3.437659 
1 1 1 18 6  9  o 81.461  1.6834 52.050   2.1498  53.243   3.3876  51.245   2.7818  82.350  2.6240 80.810  2.1959 1.539757       3.421610 
1 1 1 18 6  10 o 74.404  1.5822 43.419   1.8455  45.400   2.6138  41.449   2.6062  76.062  2.1921 72.673  2.2876 3.389008       3.168318 
1 1 1 18 6  11 o 131.258 1.4949 135.118  3.0760  134.458  4.1479  135.925  4.5851  130.907 2.0212 131.605 2.2224 -0.6979828     3.004065 
1 1 1 18 6  12 o 152.866 1.4798 183.268  3.5462  177.568  4.9083  189.492  5.1292  150.429 2.0814 155.395 2.1055 -4.966721      2.960628 
1 1 1 18 6  13 o 68.440  1.6256 36.741   1.7442  37.311   2.4472  36.152   2.4865  68.947  2.2641 67.865  2.3372 1.081604       3.254019 
1 1 1 18 6  14 o 79.471  1.5181 49.536   1.8913  50.207   2.6342  48.822   2.7171  79.985  2.1008 78.870  2.1975 1.115608       3.040157 
1 1 1 18 6  15 o 15.007  4.7596 1.7446   1.2569  1.4825   1.7621  2.0160   1.7935  15.307  5.6118 16.675  5.7044 -1.367348      8.002048 
1 1 1 18 6  16 o 155.587 1.5408 189.877  3.7582  195.188  5.6995  185.792  4.9988  157.681 2.3057 153.861 2.0725 3.819260       3.100214 
1 1 1 18 6  17 o 86.255  1.4757 58.355   1.9954  55.326   2.7334  61.811   2.9197  83.959  2.0768 88.742  2.0987 -4.783455      2.952557 
1 1 1 18 6  18 o 126.332 1.4199 125.178  2.8120  125.856  3.9716  124.497  3.9820  126.633 2.0006 125.946 2.0168 0.6864929      2.840765 
1 1 1 18 6  19 o 66.354  1.5560 34.539   1.6186  34.384   2.1831  34.728   2.4120  66.182  2.1041 66.503  2.3136 -0.3207474     3.127319 
1 1 1 18 6  20 o 148.960 1.3990 174.046  3.2669  176.404  4.4873  171.387  4.7655  149.921 1.9093 147.758 2.0573 2.162903       2.806767 
1 1 1 18 6  21 o 144.007 1.3953 162.670  3.1500  161.902  4.2628  163.593  4.6752  143.622 1.8933 144.352 2.0660 -0.7297058     2.802277 
1 1 1 18 6  22 o 96.732  1.3702 73.400   2.0779  73.893   2.8235  72.817   3.0689  97.027  1.8563 96.304  2.0328 0.7223892      2.752818 
1 1 1 18 6  23 o 57.648  1.5951 26.077   1.4415  26.044   1.9480  26.117   2.1431  57.585  2.1579 57.654  2.3712 -0.6891251E-01 3.206070 
1 1 1 18 6  24 f 91.499  1.4446 65.686   2.0722  63.363   2.6543  69.311   3.3161  89.837  1.8847 93.928  2.2520 -4.090286      2.936611 
1 1 1 18 6  25 o 112.033 1.3556 98.468   2.3808  99.349   3.2390  97.433   3.5113  112.491 1.8367 111.384 2.0109 1.107498       2.723481 
1 1 1 18 6  26 o 57.946  1.5830 26.353   1.4380  26.825   1.9389  25.776   2.1437  58.433  2.1166 57.262  2.3881 1.171440       3.191075 
1 1 1 18 6  27 o 30.230  2.4601 7.2336   1.1557  5.9731   1.5473  8.8243   1.7381  27.257  3.7181 33.282  3.3782 -6.024717      5.023609 
1 1 1 18 6  28 o 68.603  1.5248 36.939   1.6399  36.716   2.2789  37.179   2.3616  68.352  2.1268 68.776  2.1904 -0.4239197     3.052987 
1 1 1 18 6  29 f 38.076  2.1487 11.432   1.2774  9.2546   1.7488  13.923   1.8702  34.089  3.3143 41.944  2.8613 -7.855686      4.378584 
1 1 1 18 6  30 o 90.598  1.4091 64.420   2.0013  64.498   2.8152  64.341   2.8455  90.595  1.9822 90.482  2.0060 0.1130371      2.820150 
1 1 1 18 6  31 o 53.345  1.7096 22.351   1.4297  23.358   2.0230  21.346   2.0207  54.484  2.3685 52.075  2.4753 2.408997       3.425911 
1 1 1 18 6  32 o 33.561  2.4026 8.9103   1.2557  8.4910   1.6467  9.4927   1.9409  32.628  3.2631 34.447  3.6499 -1.818581      4.895850 
1 1 1 18 6  33 o 54.832  1.6897 23.618   1.4525  23.510   1.9806  23.744   2.1365  54.654  2.3116 54.909  2.4820 -0.2547607     3.391730 
1 1 1 18 6  34 o 34.061  2.3948 9.1801   1.2706  11.336   1.8348  7.1931   1.7613  37.755  3.1281 29.878  3.8500 7.877005       4.960631 
1 1 1 18 6  35 o 93.348  1.4132 68.418   2.0680  69.326   2.9024  67.482   2.9473  93.890  1.9719 92.624  2.0298 1.266548       2.829891 
1 1 1 18 6  36 o 8.1407  3.7189 -0.6971  1.0584  -0.8048  1.4681  -0.5805  1.5272  9.7968  4.4381 10.374  4.6265 -0.5770864     6.411036 
1 1 1 18 6  37 o 50.120  1.7723 19.748   1.3925  21.602   1.9660  17.882   1.9727  52.356  2.3953 47.533  2.6579 4.823093       3.578017 
1 1 1 18 6  38 o 51.222  1.7448 20.627   1.4011  18.846   1.8899  22.799   2.0876  48.826  2.4772 53.771  2.4765 -4.944969      3.502794 
1 1 1 18 6  39 o 59.400  1.5940 27.729   1.4843  27.881   2.0682  27.567   2.1316  59.491  2.2176 59.144  2.2990 0.3464775      3.194249 
1 1 1 18 6  40 o 30.491  2.4702 7.3821   1.1706  7.1816   1.5998  7.6132   1.7174  29.882  3.4804 30.745  3.6334 -0.8624744     5.031379 
1 1 1 18 6  41 o 75.101  1.4682 44.316   1.7286  45.233   2.4328  43.381   2.4565  75.789  2.0476 74.210  2.1115 1.579453       2.941330 
1 1 1 18 6  42 o 42.080  1.9714 13.942   1.3005  12.242   1.7836  15.872   1.9003  39.221  2.9218 44.726  2.7231 -5.505234      3.994003 
1 1 1 18 6  43 o 57.962  1.6909 26.425   1.5364  26.605   2.1037  26.220   2.2492  58.073  2.3108 57.621  2.4900 0.4516907      3.397018 
1 1 1 18 6  44 o 32.475  2.6179 8.3905   1.3214  7.9130   1.8499  8.8880   1.8883  31.258  3.8568 33.195  3.6912 -1.937073      5.338537 
1 1 1 18 6  45 o 56.150  1.7072 24.808   1.5027  26.987   2.0573  22.316   2.2003  58.482  2.2440 53.112  2.6426 5.369522       3.466824 
1 1 1 18 6  46 o 48.873  1.8810 18.815   1.4411  19.252   1.9310  18.266   2.1651  49.281  2.5078 47.909  2.8964 1.371822       3.831235 
1 1 1 18 6  47 o 70.119  1.5778 38.681   1.7344  38.828   2.3227  38.495   2.6075  70.151  2.1120 69.787  2.3834 0.3638916      3.184521 
1 1 1 18 6  48 o 63.522  1.6631 31.765   1.6561  31.936   2.2063  31.545   2.5065  63.587  2.2133 63.122  2.5330 0.4649887      3.363782 
1 1 1 18 6  49 o 27.330  2.9416 6.0045   1.2405  7.1965   1.6987  4.6426   1.8157  29.742  3.7249 23.419  5.0908 6.323414       6.308074 
1 1 1 18 6  50 o 53.305  1.8787 22.413   1.5699  22.009   2.2246  22.813   2.2159  52.579  2.7081 53.616  2.6363 -1.037251      3.779406 
1 1 1 18 6  51 o 21.158  3.9037 3.7162   1.2471  5.0003   1.7680  2.4446   1.7594  24.345  4.8032 17.310  5.6446 7.035223       7.411580 
1 1 1 18 6  52 o 30.556  2.7949 7.4950   1.3240  6.2100   1.9200  8.6600   1.8282  27.209  4.6694 32.612  3.6379 -5.403358      5.919256 
1 1 1 18 6  53 o 30.694  2.8229 7.5751   1.3431  7.6226   1.9552  7.5327   1.8483  30.334  4.2263 30.236  3.9975 0.9844589E-01  5.817303 
1 1 1 18 6  54 o 50.427  2.3113 20.187   1.8272  22.551   2.4096  16.988   2.8028  53.028  2.9097 45.553  3.9643 7.474533       4.917466 
1 1 1 18 6  55 o 37.166  2.8479 11.114   1.6467  11.560   1.9614  10.050   3.0309  37.725  3.3515 33.941  5.9111 3.783688       6.795114 
1 1 1 18 6  56 o 9.9176  4.4439 -0.4918  1.4269  -0.6382  1.7266  -0.1764  2.5341  10.783  4.8554 13.765  6.0580 -2.981557      7.763658 
1 1 1 18 6  57 o 37.591  2.6657 11.367   1.5607  12.714   1.9644  9.0631   2.5700  39.550  3.1956 32.371  5.2436 7.178356       6.140652 
1 1 1 18 6  58 o 26.353  3.2709 5.7104   1.3222  6.5240   2.0480  5.1289   1.7315  27.444  4.9420 24.373  4.7019 3.070633       6.821381 
1 1 1 18 6  59 o 8.3678  3.8655 -0.8303  1.1884  -1.0661  1.8380  -0.6609  1.5578  10.507  4.8371 10.071  4.5662 0.4357958      6.651874 
1 1 1 18 6  60 o 41.015  2.3734 13.505   1.5195  15.200   2.7172  12.735   1.8329  42.542  4.1262 39.556  2.9776 2.985809       5.088411 
1 1 1 18 6  61 o 33.021  2.9835 8.9099   1.5277  8.0424   2.3664  9.5298   2.0005  30.172  5.1902 33.716  3.8540 -3.544655      6.464663 
1 1 1 18 6  62 o 14.304  4.9132 1.6872   1.3308  0.6972   1.8799  2.6820   1.8843  13.134  5.4815 17.407  5.8475 -4.272898      8.015007 
1 1 1 18 6  63 f 23.563  3.7759 4.7095   1.3477  7.6702   2.0107  2.2947   1.8159  29.809  4.4381 16.364  5.7325 13.44583       7.249691 
1 1 1 18 6  64 o 42.476  2.0619 14.408   1.3730  13.541   2.0847  15.072   1.8245  40.475  3.3146 43.076  2.7157 -2.601166      4.285043 
1 1 1 18 6  65 o 36.115  2.2446 10.498   1.2645  9.8449   1.9607  10.964   1.6546  34.205  3.7163 36.591  2.9085 -2.385513      4.719142 
1 1 1 18 6  66 o 30.224  2.6495 7.4546   1.2427  8.1787   2.0150  7.0101   1.5787  30.736  4.2995 28.850  3.5665 1.885664       5.586222 
1 1 1 18 6  67 o 30.012  2.6704 7.3714   1.2433  8.8495   2.0586  6.5228   1.5599  31.969  4.2102 27.701  3.6834 4.267588       5.593996 
1 1 1 18 6  68 o 23.238  4.0447 4.7144   1.4199  2.4268   2.2821  6.1595   1.8138  16.647  6.3285 26.290  4.5666 -9.642206      7.804125 
1 1 1 18 6  69 o 10.989  4.6145 0.4580   1.3447  -0.9071  2.1980  1.2747   1.7000  11.366  5.2530 13.489  5.3660 -2.122930      7.509171 
1 1 1 18 7  0  o 134.271 2.2518 141.520  4.7368  141.520  4.7368  141.520  4.7368  134.271 2.2518 134.271 2.2518 0.000000       0.000000 
1 1 1 18 7  1  o 179.182 1.6238 251.844  4.5613  254.292  6.7972  249.838  6.1522  179.972 2.4092 178.412 2.1997 1.559387       3.262304 
1 1 1 18 7  2  o 221.091 1.7855 383.490  6.1886  391.411  9.3005  377.196  8.2904  223.242 2.6575 219.189 2.4127 4.053375       3.589363 
1 1 1 18 7  3  o 63.966  1.8298 32.102   1.8349  32.921   2.6206  31.314   2.5699  64.747  2.5819 63.146  2.5961 1.600780       3.661380 
1 1 1 18 7  4  o 149.480 1.7045 175.287  3.9942  169.342  5.2489  183.465  6.1564  146.876 2.2796 152.848 2.5693 -5.971588      3.434817 
1 1 1 18 7  5  o 46.926  2.3881 17.333   1.7510  16.619   2.3890  18.162   2.5738  45.852  3.3467 47.932  3.4483 -2.080608      4.805331 
1 1 1 18 7  6  o 160.411 1.7476 201.873  4.3948  203.290  5.9338  200.151  6.5409  160.915 2.3522 159.638 2.6137 1.277237       3.516275 
1 1 1 18 7  7  o 63.378  1.9436 31.520   1.9311  34.117   2.6455  28.558   2.8254  65.910  2.5603 60.281  2.9899 5.629234       3.936314 
1 1 1 18 7  8  o 114.658 1.7770 103.144  3.1941  102.913  4.5590  103.368  4.4764  114.473 2.5405 114.730 2.4889 -0.2571335     3.556461 
1 1 1 18 7  9  o 34.377  3.2346 9.3746   1.7227  11.978   2.4722  6.9170   2.4018  38.774  4.1307 29.110  5.4638 9.663700       6.849503 
1 1 1 18 7  10 o 71.790  1.9645 40.446   2.2109  42.134   3.1951  38.896   3.0625  73.228  2.7833 70.358  2.7766 2.870018       3.931432 
1 1 1 18 7  11 o 128.363 1.6007 129.261  3.2211  132.794  5.1436  126.981  4.1315  130.025 2.5234 127.191 2.0721 2.834808       3.265126 
1 1 1 18 7  12 o 82.175  1.6494 52.979   2.1248  56.188   3.4511  51.020   2.6964  84.571  2.6031 80.617  2.1335 3.953728       3.365723 
1 1 1 18 7  13 o 94.990  1.6085 70.789   2.3953  74.262   3.9168  68.715   3.0274  97.224  2.5698 93.561  2.0641 3.663345       3.296086 
1 1 1 18 7  14 o 125.904 1.5079 124.355  2.9762  122.588  4.4351  125.802  4.0144  124.943 2.2643 126.593 2.0228 -1.650909      3.036245 
1 1 1 18 7  15 o 66.180  1.7375 34.370   1.8026  36.055   2.7789  33.145   2.3686  67.735  2.6170 64.961  2.3259 2.774010       3.501165 
1 1 1 18 7  16 o 152.680 1.6447 182.915  3.9367  183.176  6.3161  182.749  5.0342  152.662 2.6392 152.560 2.1049 0.1027985      3.375768 
1 1 1 18 7  17 o 178.214 1.5537 249.192  4.3408  255.377  6.2682  243.492  6.0171  180.319 2.2174 176.079 2.1798 4.239868       3.109423 
1 1 1 18 7  18 o 158.531 1.5582 197.197  3.8726  201.967  5.8256  193.421  5.1838  160.335 2.3177 156.938 2.1070 3.397461       3.132278 
1 1 1 18 7  19 o 190.304 1.5973 284.198  4.7653  285.454  6.7674  282.961  6.7112  190.614 2.2647 189.782 2.2557 0.8324738      3.196452 
1 1 1 18 7  20 o 154.196 1.4883 186.563  3.5976  186.642  5.1286  186.486  5.0478  154.145 2.1224 154.085 2.0897 0.5957031E-01  2.978481 
1 1 1 18 7  21 f 48.452  1.9965 18.438   1.5164  19.157   2.2504  17.839   2.0523  49.246  2.9283 47.536  2.7660 1.709850       4.028100 
1 1 1 18 7  22 o 74.909  1.6080 44.044   1.8883  41.609   2.7894  46.104   2.5655  72.745  2.4460 76.601  2.1364 -3.856796      3.247669 
1 1 1 18 7  23 o 28.061  2.9789 6.2713   1.2904  3.8228   1.8438  8.6217   1.8065  21.498  5.4605 32.861  3.5639 -11.36329      6.520622 
1 1 1 18 7  24 o 67.604  1.6479 35.880   1.7465  36.795   2.6451  35.174   2.3255  68.393  2.4670 66.892  2.2176 1.500580       3.317260 
1 1 1 18 7  25 o 27.417  3.0367 5.9968   1.2833  4.6997   1.8993  7.0864   1.7407  23.836  5.2267 29.695  3.8284 -5.858784      6.478796 
1 1 1 18 7  26 o 100.665 1.4878 79.544   2.3478  80.088   3.4834  79.092   3.1782  100.923 2.2017 100.318 2.0209 0.6046906      2.988578 
1 1 1 18 7  27 o 57.650  1.7520 26.105   1.5834  26.672   2.3897  25.661   2.1141  58.197  2.6193 57.109  2.3614 1.088890       3.526605 
1 1 1 18 7  28 o 26.349  3.0131 5.5473   1.2222  6.7077   1.8666  4.6764   1.6171  28.766  4.2688 23.879  4.4845 4.886904       6.191395 
1 1 1 18 7  29 f 45.010  2.0405 15.929   1.4398  14.989   2.1366  16.712   1.9488  43.454  3.1580 45.967  2.7164 -2.512966      4.165533 
1 1 1 18 7  30 o 91.319  1.5052 65.482   2.1549  65.567   3.2212  65.413   2.8990  91.277  2.2512 91.204  2.0276 0.7317352E-01  3.029681 
1 1 1 18 7  31 o 74.628  1.5951 43.747   1.8662  44.665   2.8234  43.034   2.4869  75.309  2.3915 73.955  2.1450 1.353508       3.212518 
1 1 1 18 7  32 o 108.335 1.5724 92.191   2.6704  90.802   3.7339  93.646   3.8208  107.402 2.2176 109.067 2.2346 -1.665649      3.148245 
1 1 1 18 7  33 o 53.466  1.9089 22.481   1.6000  23.724   2.2502  21.210   2.2755  54.845  2.6172 51.758  2.8151 3.086723       3.843716 
1 1 1 18 7  34 o 41.272  2.1997 13.450   1.4181  14.900   2.1448  12.325   1.8901  43.278  3.1837 39.357  3.0883 3.920540       4.435489 
1 1 1 18 7  35 o 74.176  1.5877 43.235   1.8463  41.537   2.7136  44.699   2.5193  72.591  2.3845 75.346  2.1329 -2.754074      3.199246 
1 1 1 18 7  36 o 11.499  4.5548 0.5915   1.2201  -0.4314  1.7430  1.5741   1.7084  11.390  5.0181 15.235  5.5347 -3.844625      7.470919 
1 1 1 18 7  37 o 43.463  2.1260 14.879   1.4486  17.784   2.1215  12.342   1.9827  47.337  2.8724 39.329  3.2448 8.008339       4.333527 
1 1 1 18 7  38 o 27.026  3.0802 5.8585   1.2817  5.5777   1.8020  6.1459   1.8234  26.012  4.5865 27.386  4.3960 -1.373451      6.352982 
1 1 1 18 7  39 o 25.868  3.2947 5.3935   1.3058  5.1612   1.8521  5.6232   1.8412  24.907  4.9180 26.088  4.6737 -1.180840      6.784509 
1 1 1 18 7  40 o 64.431  1.7346 32.658   1.7520  32.193   2.4796  33.123   2.4759  63.850  2.4773 64.773  2.4382 -0.9234848     3.475892 
1 1 1 18 7  41 o 32.149  2.7123 8.2330   1.3542  7.6602   1.8889  8.8388   1.9426  30.706  4.0207 33.072  3.8170 -2.365820      5.543970 
1 1 1 18 7  42 o 39.106  2.3032 12.111   1.4057  12.443   1.9714  11.769   2.0050  39.450  3.2157 38.322  3.3718 1.128223       4.659408 
1 1 1 18 7  43 o 13.930  4.7685 1.4547   1.2533  1.7596   1.7731  1.1503   1.7717  15.730  5.6491 14.332  5.5437 1.398026       7.914897 
1 1 1 18 7  44 o 18.376  4.2555 2.8203   1.2017  3.7057   1.5988  1.6704   1.8220  20.973  4.9435 15.595  5.7081 5.377943       7.551233 
1 1 1 18 7  45 o 15.149  4.5947 1.8740   1.1862  4.8944   1.6232  -1.5874  1.7377  24.280  4.4278 9.7780  4.5702 14.50171       6.363285 
1 1 1 18 7  46 o 59.881  1.9150 28.273   1.7977  28.766   2.4042  27.649   2.7072  60.265  2.5448 58.984  2.9278 1.280804       3.879161 
1 1 1 18 7  47 o 99.417  1.5617 77.797   2.4339  77.007   3.3700  78.659   3.5189  98.716  2.1777 99.742  2.2505 -1.026184      3.131602 
1 1 1 18 7  48 o 17.931  4.7155 2.7169   1.3432  4.0273   1.9294  1.4846   1.8710  21.647  5.6318 15.180  5.7399 6.467482       8.041395 
1 1 1 18 7  49 o 23.049  3.8337 4.3882   1.3366  5.2383   1.9163  3.5828   1.8652  24.823  5.0951 20.416  5.6407 4.407234       7.601159 
1 1 1 18 7  50 o 10.624  4.5406 0.0534   1.3412  0.5747   1.7644  -0.6600  2.0641  12.999  5.3576 11.966  5.3544 1.033134       7.574504 
1 1 1 18 7  51 o 40.718  2.4613 13.220   1.5637  12.305   1.9914  14.691   2.5255  39.020  3.2860 42.437  3.8377 -3.417656      5.052359 
1 1 1 18 7  52 o 35.494  2.7706 10.116   1.5295  9.4077   2.1057  10.908   2.2252  33.763  4.0597 36.428  3.9604 -2.664547      5.671481 
1 1 1 18 7  53 o 45.762  2.3544 16.695   1.6833  18.815   2.4141  14.688   2.3484  48.250  3.2098 42.456  3.5613 5.793793       4.794338 
1 1 1 18 7  54 o 76.962  1.7348 46.822   2.0930  46.170   3.0811  47.381   2.8521  76.035  2.5849 77.145  2.3583 -1.110207      3.499007 
1 1 1 18 7  55 o 25.405  3.5226 5.3372   1.3652  4.8447   1.9905  5.7746   1.8759  23.384  5.5189 25.914  4.7943 -2.529869      7.310517 
1 1 1 18 7  56 o 11.269  4.5526 0.5746   1.2436  -0.1919  1.7079  1.4397   1.8144  11.310  4.9756 14.625  5.6230 -3.314834      7.508267 
1 1 1 18 7  57 o 17.611  4.7659 2.7160   1.3478  3.1716   1.7261  2.0042   2.1574  18.855  5.4999 16.308  6.1642 2.547451       8.261136 
1 1 1 18 7  58 o 23.215  3.8528 4.5571   1.3530  4.4982   1.8525  4.6245   1.9807  22.385  5.3516 22.578  5.6187 -0.1927795     7.759475 
1 1 1 18 7  59 o 17.973  4.3102 2.8164   1.1988  1.6587   1.7510  3.8378   1.6447  14.851  5.5661 20.707  5.1000 -5.856253      7.549272 
1 1 1 18 7  60 o 26.504  3.1653 5.8057   1.2892  5.4466   1.8928  6.1164   1.7608  24.733  5.0524 26.630  4.3693 -1.897024      6.679665 
1 1 1 18 7  61 o 16.280  4.9078 2.3446   1.3564  4.0435   2.1205  1.1681   1.7647  20.742  6.1090 13.732  5.4656 7.010338       8.197145 
1 1 1 18 7  62 o 38.417  2.5571 11.955   1.5312  8.9550   2.4388  13.908   1.9673  31.760  5.0686 41.161  3.0710 -9.401140      5.926372 
1 1 1 18 7  63 o 15.276  5.0844 2.0239   1.4248  4.6401   2.3201  0.4397   1.8053  21.937  6.3699 12.406  5.2842 9.530976       8.276379 
1 1 1 18 7  64 o 14.747  4.9149 1.8783   1.3312  3.6619   1.9287  0.2554   1.8398  19.711  5.8320 12.154  5.2577 7.556430       7.852098 
1 1 1 18 7  65 o 23.850  3.7190 4.8617   1.3451  5.7618   1.9993  4.1172   1.8181  25.055  5.2576 20.975  5.4719 4.080784       7.588485 
1 1 1 18 7  66 o 38.437  2.3690 11.978   1.4205  14.058   2.0554  10.076   1.9655  41.093  3.2163 34.430  3.6995 6.663635       4.902128 
1 1 1 18 7  67 o 14.549  5.0336 1.8579   1.3980  0.3453   1.8013  4.1497   2.2171  12.018  5.2005 20.333  6.3029 -8.315431      8.171369 
1 1 1 18 7  68 o 27.822  3.5235 6.6304   1.5024  6.3440   2.2462  6.8623   2.0209  25.504  5.7548 27.296  4.9030 -1.792091      7.560229 
1 1 1 18 8  0  o 89.668  2.1315 63.176   2.9924  63.176   2.9924  63.176   2.9924  89.668  2.1315 89.668  2.1315 0.000000       0.000000 
1 1 1 18 8  1  o 34.142  2.4860 9.2064   1.3214  10.508   1.9002  7.9879   1.8389  36.382  3.3700 31.616  3.7854 4.766174       5.068166 
1 1 1 18 8  2  o 21.283  4.0667 3.6908   1.3074  4.0712   1.8685  3.3259   1.8300  22.230  5.4125 20.179  5.5917 2.050951       7.782146 
1 1 1 18 8  3  o 197.738 1.6309 306.791  5.0557  325.959  7.4337  290.296  6.8962  203.714 2.3277 192.254 2.2881 11.46017       3.264019 
1 1 1 18 8  4  o 22.149  3.8262 3.9760   1.2805  2.5227   1.8038  5.4524   1.8181  17.976  5.7018 25.882  4.6520 -7.905825      7.358767 
1 1 1 18 8  5  o 158.958 1.5715 198.246  3.9161  198.600  5.3119  197.824  5.7962  159.035 2.1306 158.697 2.3298 0.3382721      3.157136 
1 1 1 18 8  6  f 72.439  1.6547 41.175   1.8791  42.870   2.7898  39.768   2.5424  73.869  2.4091 71.155  2.2792 2.714119       3.316348 
1 1 1 18 8  7  o 106.657 1.4512 89.242   2.4265  93.955   3.5480  85.101   3.3259  109.389 2.0689 104.110 2.0378 5.279602       2.904022 
1 1 1 18 8  8  o 68.987  1.6871 37.348   1.8246  36.957   2.6637  37.693   2.5043  68.579  2.4776 69.270  2.3062 -0.6907120     3.384841 
1 1 1 18 8  9  o 81.176  1.5807 51.706   2.0116  51.822   2.9556  51.606   2.7455  81.218  2.3213 81.061  2.1605 0.1571503      3.171208 
1 1 1 18 8  10 o 143.727 1.5298 162.084  3.4469  161.966  5.0604  162.187  4.7080  143.591 2.2480 143.710 2.0897 -0.1192017     3.069308 
1 1 1 18 8  11 o 28.687  2.9258 6.5416   1.2974  8.8806   1.9546  4.6995   1.7346  33.340  3.8080 23.950  4.7874 9.390232       6.117213 
1 1 1 18 8  12 o 94.441  1.5126 69.984   2.2395  71.162   3.3280  69.009   3.0275  95.174  2.2305 93.739  2.0602 1.435501       3.036398 
1 1 1 18 8  13 o 70.206  1.6376 38.683   1.8023  42.148   2.4841  34.832   2.6190  73.248  2.1633 66.562  2.5099 6.685722       3.313496 
1 1 1 18 8  14 o 95.547  1.5016 71.637   2.2492  71.012   2.9916  72.451   3.4113  95.088  2.0069 96.020  2.2662 -0.9325027     3.027138 
1 1 1 18 8  15 o 88.546  1.7099 61.546   2.3735  60.803   3.1511  62.522   3.6084  87.958  2.2852 89.160  2.5816 -1.202499      3.447759 
1 1 1 18 8  16 o 54.452  1.9273 23.287   1.6452  22.922   2.1296  23.826   2.5911  53.988  2.5163 54.919  3.0212 -0.9318924     3.931843 
1 1 1 18 8  17 o 32.924  2.8696 8.5987   1.4663  8.3516   1.9154  8.9486   2.2789  32.286  3.8610 33.318  4.4764 -1.031902      5.911417 
1 1 1 18 8  18 o 29.475  3.0884 6.9204   1.4058  8.0179   1.9062  5.6115   2.0817  31.607  3.9321 26.098  5.2695 5.508379       6.574929 
1 1 1 18 8  19 o 33.372  2.7957 8.8307   1.4491  7.8238   1.8781  10.312   2.2780  31.212  3.9251 35.861  4.1275 -4.648695      5.695855 
1 1 1 18 8  20 o 23.315  3.4999 4.3863   1.2397  3.3518   1.6811  5.6197   1.8355  20.139  5.2654 26.228  4.6336 -6.088713      7.013851 
1 1 1 18 8  21 o 84.546  1.6278 56.125   2.1575  50.297   2.9320  63.008   3.1862  79.963  2.3389 89.508  2.2707 -9.545067      3.259867 
1 1 1 18 8  22 o 29.691  2.9634 7.0188   1.3609  4.7635   1.9012  9.3883   1.9488  23.985  5.2058 34.259  3.6867 -10.27344      6.379017 
1 1 1 18 8  23 o 71.997  1.6950 40.713   1.9131  41.312   2.7121  40.119   2.6990  72.452  2.3878 71.396  2.4114 1.056702       3.393574 
1 1 1 18 8  24 o 109.045 1.4393 93.347   2.4604  96.142   3.5322  90.712   3.4291  110.581 2.0375 107.413 2.0364 3.167854       2.880732 
1 1 1 18 8  25 o 55.365  1.8234 24.088   1.5826  21.892   2.1580  26.643   2.3279  52.710  2.6116 58.156  2.5534 -5.445580      3.652398 
1 1 1 18 8  26 o 39.143  2.2411 12.097   1.3695  11.333   1.8381  13.051   2.0533  37.749  3.1344 40.504  3.2614 -2.754673      4.523404 
1 1 1 18 8  27 o 99.700  1.5017 78.060   2.3471  76.985   3.1915  79.327   3.4637  98.929  2.0579 100.397 2.2007 -1.467850      3.012980 
1 1 1 18 8  28 o 65.678  1.7743 33.904   1.8269  34.358   2.6000  33.462   2.5675  66.025  2.5120 65.159  2.5135 0.8663712      3.553545 
1 1 1 18 8  29 o 47.997  1.9378 18.119   1.4581  16.476   1.9888  20.028   2.1440  45.602  2.7954 50.306  2.7288 -4.703949      3.906497 
1 1 1 18 8  30 o 160.376 1.5023 202.037  3.7771  201.913  4.9533  202.209  5.8386  160.204 1.9723 160.207 2.3247 -0.2868652E-02 3.048651 
1 1 1 18 8  31 o 14.647  4.4909 1.7199   1.1291  2.0240   1.4716  1.2848   1.7604  16.033  5.1569 14.687  5.5644 1.345581       7.586558 
1 1 1 18 8  32 o 26.308  3.0983 5.5516   1.2533  5.3450   1.5616  5.9256   2.1010  25.609  4.0224 26.699  5.2065 -1.090755      6.579315 
1 1 1 18 8  33 o 29.570  2.6104 6.9560   1.1977  6.8701   1.5667  7.0769   1.8578  29.217  3.4895 29.511  4.1288 -0.2938271     5.405866 
1 1 1 18 8  34 o 101.651 1.4214 81.174   2.2651  80.334   2.9548  82.371   3.5273  101.042 1.8654 102.239 2.2008 -1.196251      2.884964 
1 1 1 18 8  35 o 61.129  1.6479 29.381   1.5792  30.394   2.0902  28.035   2.4106  62.106  2.1469 59.578  2.5809 2.527920       3.357127 
1 1 1 18 8  36 o 72.574  1.5415 41.400   1.7538  39.857   2.2656  43.708   2.7703  71.134  2.0316 74.425  2.3744 -3.290932      3.124931 
1 1 1 18 8  37 o 65.985  1.5767 34.232   1.6310  34.558   2.1514  33.792   2.5009  66.224  2.0723 65.421  2.4385 0.8038025      3.200120 
1 1 1 18 8  38 o 34.327  2.3787 9.3464   1.2721  9.6353   1.6563  8.9309   1.9865  34.721  3.0748 33.223  3.8877 1.497753       4.956671 
1 1 1 18 8  39 o 33.664  2.5018 9.0046   1.3108  9.5181   1.7663  8.3750   1.9558  34.445  3.3118 32.126  3.9676 2.318974       5.168162 
1 1 1 18 8  40 o 21.654  3.7699 3.8496   1.2332  3.8724   1.7012  3.8244   1.7903  21.429  5.1319 21.265  5.3694 0.1630993      7.427427 
1 1 1 18 8  41 o 10.876  4.4486 0.3748   1.2050  -0.0519  1.6463  0.8670   1.7684  11.605  4.9968 13.712  5.4670 -2.107115      7.406528 
1 1 1 18 8  42 o 68.435  1.7681 36.884   1.8969  36.827   2.5571  36.954   2.8287  68.248  2.3900 68.301  2.6418 -0.5220032E-01 3.562471 
1 1 1 18 8  43 o 46.158  2.2793 16.839   1.6493  16.264   2.3067  17.441   2.3592  45.048  3.2891 46.672  3.2446 -1.623493      4.620155 
1 1 1 18 8  44 o 50.965  2.1340 20.517   1.7050  20.590   2.1238  20.384   2.8596  50.878  2.6721 50.308  3.6508 0.5699654      4.524240 
1 1 1 18 8  45 o 10.600  4.5489 -0.0052  1.3560  -0.0402  1.5719  0.0967   2.6814  11.317  4.8777 14.774  6.3692 -3.456974      8.022402 
1 1 1 18 8  46 o 35.944  2.8225 10.342   1.5777  14.304   2.2707  6.6440   2.1935  42.103  3.4713 28.017  5.1852 14.08595       6.239891 
1 1 1 18 8  47 o 27.921  3.3158 6.3290   1.4230  6.6459   2.0461  6.0321   1.9804  28.119  4.8147 26.726  4.9074 1.392891       6.874916 
1 1 1 18 8  48 o 45.301  2.4545 16.343   1.7366  18.712   2.9150  15.039   2.1623  47.921  3.9144 43.207  3.2153 4.714329       5.065604 
1 1 1 18 8  49 o 40.199  2.6469 12.926   1.6587  12.554   2.7465  13.140   2.0811  38.842  4.5998 40.301  3.3236 -1.459274      5.674888 
1 1 1 18 8  50 o 19.837  4.4598 3.3539   1.3532  1.9797   2.0720  4.3759   1.7869  16.439  6.0757 22.481  5.1773 -6.041782      7.982359 
1 1 1 18 8  51 o 41.415  2.5910 13.737   1.6737  15.468   2.8447  12.821   2.0699  43.206  4.2551 39.718  3.3558 3.488594       5.419215 
1 1 1 18 8  52 o 28.459  3.2538 6.6191   1.4256  5.5051   2.1513  7.4912   1.9035  24.958  5.6322 29.929  4.1705 -4.970234      7.008146 
1 1 1 18 8  53 o 14.392  4.9270 1.6569   1.3380  -1.1181  1.9564  4.0950   1.8338  10.887  5.0041 21.490  5.4387 -10.60297      7.390533 
1 1 1 18 8  54 o 52.361  2.1045 21.810   1.7274  19.573   2.5623  23.674   2.3389  48.949  3.3595 54.201  2.7618 -5.252392      4.348958 
1 1 1 18 8  55 o 19.451  4.5881 3.3034   1.3764  3.5238   2.0580  3.1251   1.8513  19.713  6.0663 18.694  5.7536 1.018105       8.360860 
1 1 1 18 8  56 o 10.087  4.4132 -0.1075  1.3274  -0.8583  2.0040  0.4794   1.7719  11.240  5.1280 12.530  5.2812 -1.290511      7.361234 
1 1 1 18 8  57 o 20.947  4.4172 3.8248   1.4048  3.1931   2.1663  4.2833   1.8455  18.759  6.2701 21.720  5.4336 -2.961060      8.296838 
1 1 1 18 8  58 o 34.516  2.8253 9.7117   1.5154  7.2234   2.2889  11.653   2.0219  28.363  5.3440 37.469  3.4821 -9.106640      6.378294 
1 1 1 18 8  59 o 21.013  4.2141 3.8386   1.3399  3.2345   1.8959  4.4414   1.8939  18.737  5.8317 21.979  5.5076 -3.242718      8.021402 
1 1 1 18 8  60 o 9.2640  4.2716 -0.8591  1.4412  0.0724   1.8892  -2.1557  2.2288  12.051  5.2689 10.458  4.9743 1.592909       7.246032 
1 1 1 18 8  61 o 17.625  5.0671 2.8149   1.4747  3.0997   2.0317  2.4978   2.1440  18.294  6.0706 16.962  6.1945 1.331268       8.673126 
1 1 1 18 8  62 o 12.565  4.7786 1.1188   1.3015  0.8846   1.9654  1.3018   1.7368  13.494  5.6159 13.839  5.4493 -0.3451967     7.825188 
1 1 1 18 8  63 o 13.723  4.7785 1.5726   1.2609  3.6927   1.9560  0.0652   1.6494  19.672  5.8853 11.272  4.9258 8.400446       7.674680 
1 1 1 18 8  64 o 11.524  4.7368 0.6403   1.3745  0.3722   2.2649  0.7966   1.7293  13.208  5.7719 12.706  5.2762 0.5016699      7.820040 
1 1 1 18 8  65 o 12.081  4.8436 0.8923   1.3961  2.4334   2.3725  0.0760   1.7268  16.618  6.4187 11.401  5.0097 5.216331       8.142223 
1 1 1 18 8  66 o 7.3928  3.6077 -2.1830  1.3673  -0.9048  1.8918  -3.5808  1.9783  10.487  4.8559 8.4301  4.1589 2.056736       6.393463 
1 1 1 18 8  67 o 21.661  4.7923 4.3835   1.5842  7.7423   2.4495  1.9683   2.0771  28.067  5.7601 15.160  5.9626 12.90697       8.290457 
1 1 1 18 9  0  o 107.954 2.2105 91.561   3.7374  91.561   3.7374  91.561   3.7374  107.954 2.2105 107.954 2.2105 0.000000       0.000000 
1 1 1 18 9  1  o 123.759 1.5679 120.208  3.0419  124.192  4.3660  116.451  4.2404  125.713 2.2154 121.731 2.2220 3.982040       3.137736 
1 1 1 18 9  2  o 60.882  1.8492 29.106   1.7650  28.247   2.4969  29.963   2.4952  59.921  2.6581 61.721  2.5788 -1.800182      3.703504 
1 1 1 18 9  3  o 55.532  1.9030 24.217   1.6566  21.763   2.3152  26.793   2.3714  52.507  2.8230 58.362  2.5920 -5.854710      3.832467 
1 1 1 18 9  4  o 29.895  3.1572 7.1195   1.4572  7.2959   1.9764  6.9094   2.1571  30.063  4.3175 29.123  4.8987 0.9405174      6.529820 
1 1 1 18 9  5  o 17.864  4.8190 2.6174   1.3806  2.3137   2.0639  2.8634   1.8573  17.780  6.1180 18.896  5.7534 -1.115324      8.398298 
1 1 1 18 9  6  o 84.516  1.5238 56.060   2.0190  57.515   2.7471  54.351   2.9772  85.563  2.0480 83.153  2.2839 2.409302       3.067685 
1 1 1 18 9  7  o 112.123 1.5554 98.672   2.7339  99.075   3.9013  98.283   3.8323  112.275 2.2165 111.829 2.1860 0.4458694      3.113122 
1 1 1 18 9  8  o 36.772  2.4306 10.680   1.3933  14.703   1.9224  6.2289   2.0222  43.117  2.8603 27.619  4.8472 15.49849       5.628214 
1 1 1 18 9  9  o 71.379  1.6036 39.995   1.7944  37.334   2.3846  43.469   2.7247  68.919  2.2071 74.353  2.3376 -5.434418      3.214875 
1 1 1 18 9  10 o 97.984  1.5490 75.360   2.3793  80.255   3.1686  69.032   3.6028  101.069 1.9999 93.681  2.4532 7.388062       3.165070 
1 1 1 18 9  11 o 131.824 1.4865 136.392  3.0719  137.375  4.1990  135.260  4.5059  132.224 2.0258 131.174 2.1912 1.049194       2.984110 
1 1 1 18 9  12 o 68.416  1.6291 36.749   1.7473  37.631   2.3835  35.723   2.5689  69.186  2.1976 67.387  2.4317 1.799072       3.277597 
1 1 1 18 9  13 o 20.553  3.9850 3.4560   1.2377  2.9750   1.6667  4.0472   1.8479  19.047  5.3573 22.090  5.3850 -3.043045      7.595996 
1 1 1 18 9  14 o 93.416  1.5849 68.514   2.3210  71.162   3.3526  66.077   3.2163  95.126  2.2482 91.665  2.2382 3.460617       3.172338 
1 1 1 18 9  15 o 45.150  2.0366 16.023   1.4415  15.462   1.9496  16.700   2.1410  44.207  2.8281 45.924  2.9901 -1.717190      4.115668 
1 1 1 18 9  16 o 128.444 1.4948 129.517  3.0100  134.896  4.1830  123.740  4.3345  130.998 2.0369 125.433 2.2043 5.564598       3.001340 
1 1 1 18 9  17 o 28.630  2.8735 6.5263   1.2723  5.8323   1.6659  7.4978   1.9709  26.822  4.0913 30.451  4.2440 -3.629124      5.894957 
1 1 1 18 9  18 o 45.090  2.0047 15.984   1.4170  18.369   1.9730  13.442   2.0365  48.217  2.6201 41.137  3.1827 7.079384       4.122378 
1 1 1 18 9  19 o 95.863  1.4930 72.155   2.2438  68.746   2.9910  76.542   3.3933  93.502  2.0405 98.637  2.1945 -5.134720      2.996543 
1 1 1 18 9  20 f 61.405  1.6994 29.622   1.6359  29.796   2.2198  29.415   2.4200  61.526  2.3015 61.106  2.5263 0.4203911      3.417446 
1 1 1 18 9  21 o 74.233  1.5872 43.283   1.8471  45.876   2.5184  40.264   2.7173  76.366  2.1037 71.500  2.4243 4.865837       3.209749 
1 1 1 18 9  22 o 49.309  1.9000 19.116   1.4687  19.263   1.9931  18.941   2.1727  49.368  2.5843 48.909  2.8460 0.4591980      3.844236 
1 1 1 18 9  23 o 27.336  3.0221 5.9743   1.2734  4.3749   1.5997  8.7409   2.1039  23.024  4.5930 32.893  4.1740 -9.869398      6.206307 
1 1 1 18 9  24 o 27.211  2.9164 5.9139   1.2247  5.8198   1.5381  6.0770   2.0243  26.826  3.7608 27.149  4.9381 -0.3231869     6.207170 
1 1 1 18 9  25 o 8.3093  3.8271 -0.8726  1.1523  -0.5090  1.4238  -1.5631  1.9619  10.069  4.4807 10.699  4.9511 -0.6298361     6.677536 
1 1 1 18 9  26 o 106.564 1.4909 89.204   2.4906  87.962   3.0959  91.484   4.1932  105.755 1.8674 107.711 2.4833 -1.956566      3.107106 
1 1 1 18 9  27 o 26.828  3.2006 5.7780   1.3195  6.4466   1.6747  4.6833   2.1429  28.211  3.8902 23.590  5.8284 4.621214       7.007394 
1 1 1 18 9  28 o 36.655  2.5274 10.651   1.4434  11.350   1.9110  9.7222   2.2025  37.707  3.2650 34.679  4.1328 3.027756       5.266892 
1 1 1 18 9  29 o 18.824  4.1939 2.9379   1.2059  2.1495   1.6519  3.8374   1.7645  16.605  5.4720 21.393  5.2909 -4.788624      7.611628 
1 1 1 18 9  30 o 46.226  2.1062 16.832   1.5263  15.373   1.9578  19.093   2.4371  43.997  2.8540 48.976  3.1917 -4.979527      4.281610 
1 1 1 18 9  31 o 87.913  1.5884 60.756   2.1891  58.311   2.7933  64.649   3.5242  86.038  2.0710 90.495  2.4842 -4.457764      3.234186 
1 1 1 18 9  32 o 27.576  3.3154 6.1216   1.4045  7.3399   1.7148  3.6385   2.4481  30.139  3.7074 21.034  6.6394 9.105181       7.604359 
1 1 1 18 9  33 o 14.864  4.7076 1.7588   1.2300  1.9511   1.5608  1.4437   1.9978  15.899  5.3221 15.519  5.9161 0.3803406      7.957696 
1 1 1 18 9  34 o 83.476  1.7185 54.825   2.2490  54.725   2.7726  55.018   3.8452  83.318  2.1228 83.322  2.9438 -0.3829956E-02 3.629301 
1 1 1 18 9  35 o 67.340  1.8328 35.701   1.9348  37.598   2.4100  32.262   3.2451  69.033  2.2269 63.631  3.2641 5.401905       3.951404 
1 1 1 18 9  36 o 119.191 1.7722 111.833  3.3115  108.743  4.1521  117.233  5.4892  117.377 2.2565 121.610 2.8793 -4.232613      3.658156 
1 1 1 18 9  37 o 22.043  4.6313 4.0617   1.5495  4.5311   1.8317  2.8803   2.9058  23.181  5.1719 19.840  7.2167 3.340055       8.878605 
1 1 1 18 9  38 o 32.199  3.1324 8.3184   1.5611  7.9695   1.8352  9.2320   2.9695  31.335  3.8146 33.031  5.9537 -1.695961      7.070864 
1 1 1 18 9  39 o 33.713  2.7038 9.0653   1.4169  8.6161   1.8340  9.7303   2.2317  32.630  3.6478 34.529  4.2100 -1.898952      5.570495 
1 1 1 18 9  40 o 63.520  2.0508 31.842   2.0422  32.127   2.5335  31.315   3.4509  63.689  2.5374 62.481  3.5377 1.208298       4.353571 
1 1 1 18 9  41 o 54.551  2.0848 23.498   1.7828  21.973   2.6537  24.753   2.4069  52.381  3.2476 55.836  2.7498 -3.455452      4.255386 
1 1 1 18 9  42 o 38.410  2.4695 11.738   1.4791  10.328   2.1002  13.126   2.0835  35.646  3.8177 40.395  3.3195 -4.748871      5.059071 
1 1 1 18 9  43 f 55.202  1.9065 24.051   1.6498  23.560   2.3101  24.561   2.3569  54.446  2.7066 55.591  2.7045 -1.145149      3.826233 
1 1 1 18 9  44 o 45.906  2.1409 16.672   1.5407  17.491   2.2024  15.887   2.1562  46.716  3.0235 44.483  3.1116 2.232788       4.338630 
1 1 1 18 9  45 o 21.735  4.0216 3.9418   1.3198  2.4999   1.8466  5.4475   1.8871  17.472  5.7870 25.328  4.9299 -7.855843      7.602236 
1 1 1 18 9  46 o 14.531  4.8513 1.6776   1.2969  -0.8113  1.7374  4.8090   1.9488  10.647  4.8252 23.572  5.3910 -12.92447      7.235023 
1 1 1 18 9  47 o 22.881  4.0130 4.3752   1.3869  4.1153   1.8238  4.7317   2.1358  21.748  5.3792 23.178  5.8713 -1.430279      7.962873 
1 1 1 18 9  48 o 19.455  4.9357 3.2721   1.5077  2.1919   2.1069  4.4057   2.1585  16.914  6.1462 22.271  6.0328 -5.357452      8.612275 
1 1 1 18 9  49 o 10.276  4.4199 0.0212   1.2854  0.5413   1.7113  -0.6520  1.9470  12.658  5.2518 11.486  5.1656 1.171384       7.366491 
1 1 1 18 9  50 o 54.006  2.1790 23.189   1.8448  23.596   2.5791  22.762   2.6398  54.031  3.0574 52.993  3.1925 1.037804       4.420381 
1 1 1 18 9  51 o 11.659  4.6602 0.6793   1.2881  2.0584   1.7688  -0.8780  1.8797  15.998  5.6531 10.914  4.9743 5.083559       7.530051 
1 1 1 18 9  52 o 14.809  4.8040 1.8387   1.2750  0.1296   1.6957  4.0623   1.9341  11.765  5.0685 21.212  5.6960 -9.446484      7.624557 
1 1 1 18 9  53 o 17.718  4.6023 2.7500   1.2898  2.9062   1.8203  2.5925   1.8279  18.077  5.7271 17.264  5.7594 0.8132401      8.122264 
1 1 1 18 9  54 o 20.514  4.3759 3.6599   1.3643  3.7305   1.9159  3.5873   1.9432  20.185  5.7671 19.791  5.8535 0.3939667      8.217254 
1 1 1 18 9  55 o 42.012  2.2357 14.160   1.4671  11.589   2.0744  16.733   2.0752  37.317  3.5902 45.311  2.9373 -7.993790      4.638681 
1 1 1 18 9  56 f 33.205  2.6901 8.9671   1.3882  9.8485   2.0686  8.2448   1.8726  34.132  3.9382 31.214  3.9128 2.917953       5.551572 
1 1 1 18 9  57 o 11.034  4.5653 0.4743   1.2880  1.7283   1.8732  -0.6501  1.7739  15.056  5.7313 10.690  4.8568 4.365962       7.512435 
1 1 1 18 9  58 o 24.942  3.5687 5.2511   1.3556  4.4443   2.0043  5.9315   1.8405  21.760  5.7784 25.904  4.7055 -4.143711      7.451949 
1 1 1 18 9  59 o 28.080  3.2131 6.5595   1.3889  3.3230   1.9972  9.5911   1.9329  18.809  6.0032 33.706  3.7201 -14.89712      7.062367 
1 1 1 18 9  60 o 22.656  4.2165 4.4877   1.4425  4.2968   2.2596  4.6191   1.8740  21.001  6.3352 22.302  5.4145 -1.300783      8.333721 
1 1 1 18 9  61 o 22.725  4.1357 4.5131   1.4191  6.5232   2.3365  3.3383   1.7862  26.228  5.8335 18.817  5.6228 7.410397       8.102191 
1 1 1 18 9  62 o 26.397  3.9614 6.0328   1.5887  4.8812   2.5068  6.8057   2.0538  21.900  6.6877 27.369  4.9697 -5.469088      8.332044 
1 1 1 18 9  63 o 21.955  5.1364 4.5049   1.7364  3.3322   2.3471  5.9229   2.5809  18.389  6.5104 24.013  6.6353 -5.624561      9.295871 
1 1 1 18 9  64 o 12.449  5.0138 0.9891   1.5033  3.1194   2.3140  -0.5665  1.9774  17.770  6.4437 11.119  5.0810 6.651530       8.205936 
1 1 1 18 9  65 o 15.537  5.3400 2.2658   1.5721  1.7380   2.0429  3.0322   2.4620  14.685  5.8691 17.404  6.5835 -2.719733      8.819831 
1 1 1 18 10 0  o 28.006  4.5521 6.6462   1.8401  6.6462   1.8401  6.6462   1.8401  28.006  4.5521 28.006  4.5521 0.000000       0.000000 
1 1 1 18 10 1  o 50.327  1.9093 19.904   1.5063  19.266   2.0338  20.679   2.2420  49.388  2.6363 51.147  2.8069 -1.759037      3.850824 
1 1 1 18 10 2  o 58.466  1.7674 26.852   1.6199  27.073   2.1928  26.587   2.4035  58.653  2.3848 58.099  2.6389 0.5547752      3.556814 
1 1 1 18 10 3  o 82.643  1.5548 53.626   2.0144  52.792   2.7074  54.660   3.0149  81.940  2.1077 83.351  2.3073 -1.411201      3.125075 
1 1 1 18 10 4  o 77.460  1.5710 47.113   1.9077  45.113   2.5379  49.709   2.8924  75.742  2.1374 79.484  2.3213 -3.741241      3.155439 
1 1 1 18 10 5  o 46.825  1.9843 17.235   1.4566  17.185   1.9647  17.296   2.1706  46.624  2.6996 46.733  2.9783 -0.1085815     4.019683 
1 1 1 18 10 6  o 10.505  4.3864 0.1785   1.2046  -0.3127  1.6171  0.7908   1.8055  11.166  4.8785 13.810  5.5183 -2.644363      7.365572 
1 1 1 18 10 7  o 22.431  3.9734 4.1045   1.3461  4.6433   1.9320  3.5962   1.8765  23.640  5.3393 20.828  5.6180 2.812626       7.750539 
1 1 1 18 10 8  o 80.207  1.5521 50.515   1.9516  52.057   2.6746  48.759   2.8540  81.361  2.0969 78.714  2.3129 2.647018       3.121939 
1 1 1 18 10 9  o 35.370  2.4046 9.8936   1.3254  10.031   1.8127  9.7355   1.9427  35.479  3.2968 34.891  3.6037 0.5881233      4.884223 
1 1 1 18 10 10 o 37.178  2.3924 10.926   1.3869  10.573   1.8532  11.376   2.0910  36.432  3.2800 37.747  3.5763 -1.314999      4.852629 
1 1 1 18 10 11 o 47.740  1.9224 17.916   1.4387  17.807   1.9025  18.061   2.1987  47.473  2.5660 47.750  2.9518 -0.2769432     3.911141 
1 1 1 18 10 12 f 88.118  1.5203 60.976   2.1002  60.430   2.8166  61.659   3.1518  87.657  2.0497 88.510  2.2715 -0.8532257     3.059522 
1 1 1 18 10 13 o 84.124  1.6318 55.592   2.1519  55.997   3.0494  55.189   3.0373  84.339  2.3064 83.728  2.3140 0.6117401      3.267090 
1 1 1 18 10 14 o 47.234  1.9662 17.544   1.4559  20.879   2.0326  14.031   2.0863  51.475  2.5189 42.012  3.1916 9.462463       4.065856 
1 1 1 18 10 15 o 73.983  1.6024 42.997   1.8585  38.577   2.4247  49.293   2.8937  70.008  2.2093 79.118  2.3331 -9.109940      3.213166 
1 1 1 18 10 16 o 17.283  4.4500 2.4712   1.2129  2.3154   1.6329  2.6630   1.8116  17.085  5.4256 18.221  5.7054 -1.136526      7.873309 
1 1 1 18 10 17 o 47.975  1.9233 18.100   1.4465  19.098   1.9891  16.980   2.1073  49.146  2.5909 46.277  2.9197 2.869209       3.903532 
1 1 1 18 10 18 o 95.570  1.4964 71.740   2.2420  72.211   3.0417  71.179   3.3175  95.801  2.0253 95.077  2.2258 0.7236938      3.009340 
1 1 1 18 10 19 o 74.943  1.5907 44.130   1.8688  44.449   2.5238  43.741   2.7808  75.141  2.1425 74.503  2.3809 0.6385498      3.202944 
1 1 1 18 10 20 o 75.046  1.5974 44.255   1.8793  46.041   2.5666  42.190   2.7595  76.470  2.1410 73.160  2.4060 3.309990       3.220674 
1 1 1 18 10 21 o 23.261  3.5638 4.3902   1.2581  2.4180   1.6869  6.8628   1.8888  17.398  5.5134 29.031  4.2784 -11.63363      6.978691 
1 1 1 18 10 22 o 98.310  1.4996 75.932   2.3112  78.264   3.1647  73.267   3.3833  99.713  2.0246 96.432  2.2380 3.280617       3.017876 
1 1 1 18 10 23 o 42.873  2.0360 14.471   1.3684  15.409   1.8729  13.396   2.0041  44.083  2.7235 41.010  3.1411 3.072144       4.157393 
1 1 1 18 10 24 o 74.851  1.5755 44.035   1.8487  44.709   2.5300  43.264   2.7080  75.335  2.1423 74.073  2.3320 1.261513       3.166677 
1 1 1 18 10 25 o 78.459  1.5651 48.385   1.9250  48.623   2.5978  48.095   2.8668  78.564  2.1093 78.091  2.3417 0.4726791      3.151608 
1 1 1 18 10 26 o 36.848  2.3220 10.751   1.3344  11.199   1.7032  10.038   2.1474  37.504  2.9200 35.259  3.9529 2.244301       4.914462 
1 1 1 18 10 27 o 29.876  2.7499 7.1177   1.2735  6.8533   1.7351  7.4265   1.8749  29.059  3.9079 30.231  4.0587 -1.171999      5.634259 
1 1 1 18 10 28 o 61.910  1.7777 30.160   1.7253  29.007   2.2257  31.895   2.7309  60.629  2.3417 63.497  2.7435 -2.867954      3.606978 
1 1 1 18 10 29 o 16.123  4.6785 2.1396   1.2519  1.9242   1.6673  2.4179   1.8956  15.985  5.4989 17.571  5.8653 -1.585266      8.039833 
1 1 1 18 10 30 o 60.302  1.8968 28.636   1.7931  30.446   2.2205  25.243   3.0399  62.114  2.2804 56.210  3.4667 5.904617       4.149452 
1 1 1 18 10 31 o 28.235  3.0160 6.3942   1.3143  6.3664   1.5743  6.4579   2.3879  28.022  3.6720 27.649  5.6985 0.3726768      6.779141 
1 1 1 18 10 32 o 55.352  1.9484 24.142   1.6907  23.087   1.9964  26.816   3.1788  54.064  2.3555 57.896  3.5191 -3.831284      4.234711 
1 1 1 18 10 33 o 52.707  2.1122 21.914   1.7452  20.578   2.0684  25.216   3.2517  50.928  2.5994 56.050  3.7218 -5.122257      4.539666 
1 1 1 18 10 34 o 19.293  4.7740 3.1311   1.4360  3.2339   1.8295  2.9661   2.3177  19.603  5.6462 19.279  6.4853 0.3245049      8.598772 
1 1 1 18 10 35 o 32.227  3.0834 8.3317   1.5388  5.7430   2.0700  11.529   2.3005  26.102  5.2408 37.711  3.9500 -11.60902      6.562633 
1 1 1 18 10 36 o 79.412  1.7634 49.678   2.1953  51.863   2.9128  46.804   3.3402  81.001  2.2938 76.800  2.7743 4.201126       3.599817 
1 1 1 18 10 37 o 13.252  4.9532 1.1246   1.3848  0.1017   1.7203  3.0075   2.3340  12.083  5.1527 19.312  6.5079 -7.229243      8.300821 
1 1 1 18 10 38 o 25.002  3.6844 5.1157   1.4008  6.6727   1.8692  3.1208   2.1158  28.420  4.3325 19.365  6.1787 9.055525       7.546296 
1 1 1 18 10 39 f 20.865  4.4321 3.6596   1.4050  2.1625   1.6853  7.0711   2.5441  16.499  5.5302 28.691  5.8545 -12.19191      8.053470 
1 1 1 18 10 40 f 28.387  3.1737 6.5152   1.3882  6.2447   1.8148  6.8968   2.1551  27.419  4.3688 28.621  4.9845 -1.201586      6.628039 
1 1 1 18 10 41 o 29.434  3.0388 6.9891   1.3820  7.3867   1.7917  6.4050   2.1717  30.004  3.9014 27.427  5.2420 2.577341       6.534463 
1 1 1 18 10 42 o 28.785  3.0734 6.6988   1.3655  8.2914   1.8918  4.9669   1.9729  31.795  3.8756 24.002  5.3766 7.792946       6.627831 
1 1 1 18 10 43 o 33.625  2.6575 9.0608   1.3895  7.8943   1.8660  10.512   2.0816  30.965  3.9327 35.863  3.7584 -4.897715      5.439826 
1 1 1 18 10 44 o 21.883  4.1352 4.0249   1.3666  3.4693   1.7271  4.9555   2.2351  19.984  5.3895 23.674  6.0115 -3.689878      8.073668 
1 1 1 18 10 45 o 47.819  2.1363 18.138   1.6015  17.083   2.0423  19.822   2.5806  46.118  2.8386 49.463  3.3478 -3.344452      4.389221 
1 1 1 18 10 46 o 34.806  2.6694 9.7383   1.4455  8.7800   1.8461  11.257   2.3237  32.679  3.6669 36.849  4.0917 -4.170670      5.494361 
1 1 1 18 10 47 o 48.750  2.2706 18.915   1.7352  18.424   2.2935  19.572   2.6538  47.719  3.0823 48.982  3.4787 -1.262962      4.647754 
1 1 1 18 10 48 o 11.102  4.5857 0.4219   1.2964  0.8673   1.6648  -0.2644  2.0663  13.107  5.2770 12.306  5.4405 0.8010683      7.579312 
1 1 1 18 10 49 f 10.463  4.5483 -0.0486  1.3905  -0.8065  1.8149  1.0284   2.1636  10.768  4.9001 14.513  5.9515 -3.744609      7.709152 
1 1 1 18 10 50 o 28.722  3.0934 6.7610   1.3709  6.0842   1.8095  7.6726   2.1002  26.603  4.4994 29.864  4.6362 -3.261227      6.460581 
1 1 1 18 10 51 o 20.598  4.2914 3.6743   1.3407  5.2041   1.8957  2.1432   1.8965  24.174  5.1594 16.178  5.8384 7.996561       7.791450 
1 1 1 18 10 52 o 24.069  3.8061 4.9065   1.3884  4.2708   1.9238  5.5974   2.0057  21.576  5.6286 24.955  5.2910 -3.378805      7.724998 
1 1 1 18 10 53 o 25.801  3.6310 5.6028   1.4280  5.3569   1.9892  5.8643   2.0512  24.296  5.3658 25.486  5.3065 -1.190187      7.546566 
1 1 1 18 10 54 o 33.556  2.7174 9.1746   1.4172  7.5354   2.0498  10.676   1.9615  29.376  4.6022 35.755  3.5463 -6.378248      5.810032 
1 1 1 18 10 55 f 14.205  4.9111 1.6857   1.3307  1.4494   1.9720  1.8832   1.8031  14.598  5.7880 15.268  5.6629 -0.6706104     8.097487 
1 1 1 18 10 56 f 39.566  2.4762 12.681   1.5281  12.116   2.2802  13.141   2.0589  37.784  3.9060 39.768  3.3333 -1.984600      5.134985 
1 1 1 18 10 57 o 14.891  5.0392 1.9195   1.3995  3.4722   2.0061  0.4475   1.9533  19.129  6.0062 12.717  5.4587 6.411504       8.116120 
1 1 1 18 10 58 o 11.380  4.6379 0.6441   1.3038  0.9515   1.9374  0.3896   1.7627  13.493  5.5923 12.116  5.1927 1.376294       7.631339 
1 1 1 18 10 59 o 28.373  3.2250 6.7353   1.4090  7.2704   2.1157  6.3088   1.8887  28.377  4.9352 26.550  4.7102 1.826872       6.822195 
1 1 1 18 10 60 f 15.924  5.0469 2.3146   1.4135  1.6279   2.1604  2.8285   1.8690  14.959  6.0154 17.318  5.8237 -2.359342      8.372643 
1 1 1 18 10 61 o 8.6722  4.0208 -0.8184  1.3032  -0.3341  1.8906  -1.2568  1.7989  11.230  5.0665 9.8491  4.6182 1.380865       6.855415 
1 1 1 18 10 62 o 16.409  5.0546 2.5305   1.4285  1.0031   2.0066  4.1000   2.0340  13.421  5.6365 20.191  5.9926 -6.769664      8.226882 
1 1 1 18 10 63 f 34.640  2.8197 9.9909   1.5180  10.230   2.3441  9.8181   1.9921  33.544  4.5771 33.508  3.8630 0.3591156E-01  5.989352 
1 1 1 18 11 0  o 108.590 2.0384 92.667   3.4673  92.667   3.4673  92.667   3.4673  108.590 2.0384 108.590 2.0384 0.000000       0.000000 
1 1 1 18 11 1  o 65.659  1.6160 33.871   1.6634  33.597   2.3500  34.146   2.3547  65.315  2.2951 65.848  2.2811 -0.5331726     3.235900 
1 1 1 18 11 2  o 32.610  2.5009 8.4309   1.2688  7.0660   1.7468  9.9551   1.8459  29.587  3.8578 35.300  3.3768 -5.712986      5.126958 
1 1 1 18 11 3  o 27.753  2.9755 6.1535   1.2743  6.5053   1.7524  5.7586   1.8565  28.323  4.0630 26.482  4.6411 1.840784       6.168310 
1 1 1 18 11 4  o 86.757  1.5479 59.127   2.1052  58.229   2.8473  60.210   3.1268  86.016  2.1116 87.437  2.2811 -1.421494      3.108428 
1 1 1 18 11 5  o 22.363  3.7642 4.0751   1.2728  4.6016   1.7144  3.4287   1.8997  23.574  4.8021 20.324  5.7205 3.250351       7.468918 
1 1 1 18 11 6  o 123.886 1.4983 120.550  2.9098  116.491  3.8558  125.920  4.4349  121.679 2.0213 126.454 2.2372 -4.775520      3.015084 
1 1 1 18 11 7  o 32.483  2.6371 8.3782   1.3313  8.3794   1.7756  8.3767   2.0119  32.316  3.5642 32.198  4.0772 0.1179123      5.415482 
1 1 1 18 11 8  o 127.913 1.4995 128.521  3.0068  129.966  4.0996  126.839  4.4233  128.516 2.0348 126.912 2.2233 1.603653       3.013894 
1 1 1 18 11 9  o 70.908  1.6858 39.518   1.8739  38.417   2.3989  41.241   3.0013  69.848  2.1908 72.294  2.6482 -2.445892      3.436973 
1 1 1 18 11 10 o 40.092  2.2609 12.701   1.4152  13.202   1.9196  12.106   2.0946  40.750  3.0265 38.924  3.4690 1.825809       4.603653 
1 1 1 18 11 11 o 67.897  1.6443 36.231   1.7502  35.864   2.3243  36.713   2.6600  67.482  2.1971 68.230  2.4869 -0.7486801     3.318383 
1 1 1 18 11 12 o 96.421  1.5107 73.040   2.2836  70.335   3.0427  76.530   3.4554  94.528  2.0533 98.564  2.2363 -4.036636      3.035951 
1 1 1 18 11 13 o 54.324  1.7989 23.208   1.5319  22.918   2.0775  23.553   2.2680  53.907  2.4583 54.622  2.6487 -0.7152443     3.613698 
1 1 1 18 11 14 o 45.314  2.0206 16.163   1.4354  14.037   1.9238  18.833   2.1558  42.030  2.9382 48.734  2.8340 -6.704037      4.082268 
1 1 1 18 11 15 o 71.318  1.6271 39.980   1.8192  40.489   2.4318  39.334   2.7414  71.694  2.1636 70.610  2.4766 1.083961       3.288617 
1 1 1 18 11 16 o 70.579  1.6328 39.159   1.8066  39.829   2.4399  38.346   2.6879  71.099  2.1890 69.716  2.4594 1.383163       3.292447 
1 1 1 18 11 17 o 80.937  1.5710 51.487   1.9933  51.900   2.7068  50.999   2.9464  81.169  2.1272 80.420  2.3371 0.7492828      3.160217 
1 1 1 18 11 18 o 52.118  1.9039 21.378   1.5556  21.535   2.1503  21.206   2.2531  52.147  2.6390 51.714  2.7896 0.4331474      3.840054 
1 1 1 18 11 19 o 105.937 1.5193 88.201   2.5232  86.865   3.3767  89.890   3.7967  105.017 2.0511 106.773 2.2682 -1.755493      3.058067 
1 1 1 18 11 20 o 20.745  4.1753 3.5598   1.3109  3.5137   1.7647  3.6166   1.9581  20.456  5.4171 20.759  5.7956 -0.3022213     7.933054 
1 1 1 18 11 21 o 58.553  2.0414 27.009   1.8738  26.661   2.3588  27.604   3.0849  58.086  2.5904 58.853  3.3576 -0.7665062     4.240675 
1 1 1 18 11 22 o 44.571  2.3984 15.727   1.6696  15.976   2.1261  15.325   2.6968  44.791  3.0460 43.619  3.9880 1.171124       5.018176 
1 1 1 18 11 23 o 81.620  1.9426 52.467   2.4856  53.979   3.3299  50.563   3.7351  82.641  2.5703 79.868  2.9832 2.772461       3.937762 
1 1 1 18 11 24 o 58.811  2.1598 27.275   1.9912  25.115   2.6147  30.257   3.0725  56.207  2.9780 61.645  3.1902 -5.438545      4.364181 
1 1 1 18 11 25 o 61.984  2.0229 30.278   1.9656  30.131   2.7727  30.427   2.7869  61.665  2.8682 61.967  2.8689 -0.3012276     4.056726 
1 1 1 18 11 26 o 80.326  1.8610 50.813   2.3434  53.363   3.3599  48.397   3.2702  82.131  2.6095 78.200  2.6675 3.930984       3.731673 
1 1 1 18 11 27 o 43.943  2.4008 15.301   1.6476  17.753   2.3140  12.780   2.3464  47.166  3.1477 39.809  3.8063 7.357464       4.939205 
1 1 1 18 11 28 o 28.222  3.2109 6.4130   1.3953  6.2188   1.7994  6.7059   2.2097  27.498  4.3163 28.316  5.1683 -0.8183784     6.733669 
1 1 1 18 11 29 o 41.795  2.4153 13.855   1.5758  12.956   2.0872  15.047   2.4031  40.193  3.3429 43.269  3.5748 -3.075191      4.894248 
1 1 1 18 11 30 o 39.671  2.4313 12.492   1.5048  13.695   1.9754  10.829   2.3227  41.396  3.0657 36.482  4.1342 4.913597       5.146834 
1 1 1 18 11 31 o 20.782  3.9885 3.5788   1.2522  3.0533   1.5413  4.5989   2.1476  19.019  5.0751 23.162  5.8986 -4.142220      7.781387 
1 1 1 18 11 32 o 79.553  1.6938 49.839   2.1123  47.951   2.4793  54.838   4.0346  77.952  2.0288 82.993  3.1010 -5.040543      3.705716 
1 1 1 18 11 33 o 58.126  1.7263 26.617   1.5731  27.106   2.0870  25.975   2.3937  58.549  2.2738 57.220  2.6685 1.328526       3.505892 
1 1 1 18 11 34 o 46.569  1.9594 17.114   1.4305  16.838   1.8626  17.511   2.2336  46.005  2.5932 46.783  3.0624 -0.7786560     4.012807 
1 1 1 18 11 35 o 40.432  2.2318 12.970   1.4091  12.504   1.8984  13.542   2.1028  39.478  3.0922 41.031  3.2971 -1.552540      4.520191 
1 1 1 18 11 36 o 54.209  1.7736 23.174   1.5073  24.577   1.9674  21.181   2.3452  55.722  2.2522 51.481  2.9179 4.241791       3.686017 
1 1 1 18 11 37 o 52.417  1.8397 21.685   1.5117  23.018   1.9845  19.842   2.3334  53.888  2.3491 49.772  3.0046 4.115898       3.813950 
1 1 1 18 11 38 o 29.528  2.8807 7.0178   1.3165  8.0564   1.6792  5.3614   2.1207  31.484  3.4593 24.901  5.5717 6.582945       6.558265 
1 1 1 18 11 39 o 39.043  2.3749 12.144   1.4467  13.372   1.9679  10.700   2.1341  40.751  3.1038 36.173  3.8212 4.577492       4.922906 
1 1 1 18 11 40 o 14.508  4.8199 1.6822   1.2806  0.4932   1.7301  3.1233   1.9046  12.696  5.2751 19.058  5.8310 -6.362215      7.863057 
1 1 1 18 11 41 o 54.728  2.0604 23.730   1.7677  22.771   2.2550  25.258   2.8472  53.342  2.7055 55.931  3.2614 -2.588364      4.237459 
1 1 1 18 11 42 o 31.181  3.0474 7.8791   1.4706  9.5998   1.9460  5.5878   2.2455  34.202  3.6877 25.146  5.8126 9.055593       6.883720 
1 1 1 18 11 43 o 30.048  3.0808 7.3374   1.4307  9.1093   1.8722  4.8502   2.2181  33.290  3.6471 23.270  6.0308 10.01987       7.047854 
1 1 1 18 11 44 o 27.788  3.2962 6.3294   1.4079  6.7088   1.7983  5.7286   2.2632  28.260  4.1856 25.335  5.8207 2.925383       7.169377 
1 1 1 18 11 45 f 27.512  3.4224 6.2396   1.4442  8.4390   2.0722  4.1623   2.0138  31.653  4.2863 21.508  5.8277 10.14489       7.234275 
1 1 1 18 11 46 f 28.135  3.5354 6.5578   1.5249  7.8298   2.3555  5.6402   2.0007  29.918  5.2116 25.293  5.2188 4.624456       7.375423 
1 1 1 18 11 47 o 63.226  1.9126 31.755   1.8957  32.436   2.7037  31.096   2.6588  63.473  2.7172 62.140  2.7293 1.332256       3.851270 
1 1 1 18 11 48 o 17.165  4.8522 2.6004   1.3637  2.9815   1.9839  2.2591   1.8776  18.251  5.9960 16.429  5.8223 1.821875       8.357704 
1 1 1 18 11 49 f 24.780  3.6464 5.1662   1.3742  3.9713   1.8250  6.7308   2.0883  20.855  5.5024 27.594  5.0122 -6.739237      7.443027 
1 1 1 18 11 50 o 17.120  4.7221 2.6047   1.3085  3.6641   1.7744  1.3420   1.9371  19.984  5.4936 14.409  5.7292 5.575048       7.937487 
1 1 1 18 11 51 o 18.699  4.5379 3.1030   1.3167  2.1274   1.7356  4.4262   2.0212  15.815  5.5986 21.740  5.8165 -5.925521      8.073149 
1 1 1 18 11 52 o 10.777  4.5074 0.3850   1.2750  1.6583   1.8267  -0.8247  1.7805  14.789  5.6525 10.460  4.7952 4.328859       7.412517 
1 1 1 18 11 53 o 6.2372  3.1145 -3.1305  1.2475  -1.8495  1.7518  -4.4486  1.7769  9.2063  4.3876 7.3670  3.6845 1.839348       5.729384 
1 1 1 18 11 54 o 44.927  2.2063 16.211   1.5539  16.315   2.2007  16.108   2.1944  44.402  3.1827 44.108  3.1952 0.2935791      4.509856 
1 1 1 18 11 55 o 18.602  4.9054 3.1596   1.4510  3.6406   2.0436  2.6707   2.0604  19.468  6.0540 17.140  6.0965 2.328941       8.591730 
1 1 1 18 11 56 o 13.707  5.0543 1.5008   1.4323  1.7997   1.9865  1.1772   2.0669  15.144  5.8667 14.090  5.8021 1.053666       8.251183 
1 1 1 18 11 57 o 28.924  3.4814 7.0832   1.5468  5.7091   2.0264  9.0017   2.3944  24.700  5.3852 31.495  5.0180 -6.794888      7.360769 
1 1 1 18 11 58 o 21.023  4.6020 4.0136   1.4746  4.2041   2.1582  3.8468   2.0194  20.518  6.1918 19.760  5.9954 0.7572155      8.618778 
1 1 1 18 11 59 f 19.412  4.8331 3.5043   1.4651  5.8468   2.2946  1.8921   1.9036  24.228  6.0574 15.006  5.7620 9.222172       8.360179 
1 1 1 18 11 60 o 22.683  4.4885 4.6889   1.5395  2.3597   2.3941  6.3313   2.0104  16.203  6.3924 25.929  5.1275 -9.725180      8.194736 
1 1 1 18 11 61 o 23.531  4.2843 5.0187   1.5222  4.6494   2.2625  5.3241   2.0575  20.939  6.3444 23.058  5.7196 -2.119146      8.541983 
1 1 1 18 12 0  o 55.953  2.4884 24.754   2.1729  24.754   2.1729  24.754   2.1729  55.953  2.4884 55.953  2.4884 0.000000       0.000000 
1 1 1 18 12 1  f 71.157  1.5622 39.797   1.7426  38.362   2.4393  41.292   2.4904  69.764  2.2304 72.385  2.1947 -2.621353      3.129080 
1 1 1 18 12 2  o 57.958  1.7805 26.424   1.6177  26.271   2.1819  26.611   2.4108  57.705  2.4120 58.038  2.6497 -0.3330956     3.583068 
1 1 1 18 12 3  o 74.808  1.6050 43.993   1.8822  42.759   2.7576  45.069   2.5755  73.622  2.3893 75.627  2.1723 -2.005203      3.229181 
1 1 1 18 12 4  o 30.815  2.6583 7.5570   1.2716  7.9913   1.8577  7.1742   1.7443  31.445  3.8490 29.776  3.8251 1.668983       5.426427 
1 1 1 18 12 5  o 65.441  1.6299 33.669   1.6721  33.791   2.3906  33.552   2.3396  65.457  2.3297 65.232  2.2879 0.2247620      3.265233 
1 1 1 18 12 6  o 37.491  2.3993 11.134   1.4027  12.949   2.1323  9.7498   1.8625  40.238  3.4124 34.868  3.4527 5.370888       4.854445 
1 1 1 18 12 7  o 96.134  1.5277 72.634   2.3023  73.615   3.1221  71.465   3.4088  96.674  2.0601 95.199  2.2841 1.475639       3.075860 
1 1 1 18 12 8  o 52.978  1.8354 22.086   1.5243  20.536   2.0099  24.185   2.3387  50.998  2.5140 55.313  2.6971 -4.314854      3.687066 
1 1 1 18 12 9  o 29.866  3.0234 7.1365   1.3960  7.3244   1.8275  6.8732   2.1633  30.043  3.9780 28.821  4.9673 1.222027       6.363875 
1 1 1 18 12 10 o 47.777  2.0183 17.979   1.5116  16.813   2.0217  19.457   2.2764  46.013  2.8163 49.482  2.9480 -3.468781      4.077059 
1 1 1 18 12 11 f 88.334  1.7663 61.392   2.4460  62.158   3.2701  60.419   3.6852  88.756  2.3502 87.416  2.6892 1.339905       3.571471 
1 1 1 18 12 12 o 34.852  3.0678 9.7023   1.6591  11.162   2.2280  7.8854   2.4856  37.206  3.8768 30.786  5.3441 6.419884       6.602199 
1 1 1 18 12 13 o 35.889  3.0321 10.281   1.6900  11.608   2.2159  8.4367   2.6127  37.971  3.7726 31.833  5.4302 6.138170       6.612075 
1 1 1 18 12 14 o 12.008  4.9147 0.4567   1.4719  1.0884   1.9066  -0.4750  2.3155  14.564  5.7177 13.149  5.7889 1.414968       8.136522 
1 1 1 18 12 15 o 92.246  2.0931 67.073   3.0268  68.056   4.2114  66.022   4.3533  92.682  2.8985 91.237  3.0436 1.445183       4.202964 
1 1 1 18 12 16 o 59.441  2.4286 27.907   2.2631  27.381   2.7611  28.984   3.9505  58.684  3.0114 59.977  4.2287 -1.293224      5.191370 
1 1 1 18 12 17 o 37.466  2.7208 11.167   1.5871  10.803   2.2049  11.559   2.2864  36.562  3.9074 37.831  3.9118 -1.268818      5.529010 
1 1 1 18 12 18 o 33.941  2.9266 9.1987   1.5419  8.6105   2.0411  9.9807   2.3533  32.541  4.0916 34.981  4.3878 -2.440292      5.999495 
1 1 1 18 12 19 o 52.837  2.1075 22.016   1.7457  22.210   2.3191  21.762   2.6517  52.873  2.8080 52.217  3.2556 0.6565247      4.299241 
1 1 1 18 12 20 o 27.159  3.2954 5.9511   1.3743  6.3715   1.7480  5.2706   2.2241  27.904  4.1198 24.884  5.8073 3.019657       7.120178 
1 1 1 18 12 21 o 49.543  2.1088 19.361   1.6378  17.707   2.0806  22.055   2.6558  47.180  2.8260 52.559  3.2391 -5.378162      4.298605 
1 1 1 18 12 22 o 57.580  1.8223 26.113   1.6449  26.744   2.2223  25.350   2.4462  58.161  2.4374 56.557  2.7590 1.603970       3.681477 
1 1 1 18 12 23 o 60.139  1.7866 28.484   1.6844  27.540   2.2426  29.706   2.5512  59.017  2.4239 61.241  2.6574 -2.223598      3.596800 
1 1 1 18 12 24 o 57.574  1.8141 26.112   1.6373  27.044   2.2280  25.019   2.4143  58.475  2.4304 56.175  2.7415 2.299995       3.663727 
1 1 1 18 12 25 o 47.848  2.0546 18.064   1.5411  18.547   2.0751  17.470   2.3014  48.283  2.7529 46.744  3.1592 1.538567       4.190327 
1 1 1 18 12 26 o 41.222  2.2298 13.464   1.4356  13.203   1.9067  13.806   2.1813  40.639  3.0143 41.457  3.3859 -0.8177605     4.533292 
1 1 1 18 12 27 o 71.412  1.6742 40.159   1.8743  41.504   2.5183  38.490   2.8063  72.472  2.2166 69.695  2.5685 2.777321       3.392739 
1 1 1 18 12 28 o 29.462  3.0219 6.9789   1.3760  8.0857   1.8437  5.5875   2.0672  31.518  3.8088 25.662  5.3135 5.855986       6.537627 
1 1 1 18 12 29 o 55.087  2.0968 23.972   1.8108  22.408   2.6401  25.361   2.4883  52.898  3.1986 56.487  2.8100 -3.588909      4.257594 
1 1 1 18 12 30 o 39.383  2.2156 12.305   1.3623  12.647   1.7762  11.815   2.1231  39.770  2.8682 38.220  3.5854 1.550842       4.591473 
1 1 1 18 12 31 o 46.098  2.0280 16.787   1.4656  14.865   1.9163  19.496   2.2749  43.125  2.8506 49.380  2.9522 -6.254913      4.103806 
1 1 1 18 12 32 f 25.636  3.1152 5.3231   1.2262  4.3375   1.6246  6.6279   1.8693  22.643  4.7294 28.258  4.3601 -5.615141      6.432548 
1 1 1 18 12 33 o 18.368  4.2388 2.8458   1.1957  1.7729   1.5513  4.4161   1.8768  15.225  5.3004 22.646  5.3682 -7.421199      7.543997 
1 1 1 18 12 34 o 31.290  2.6497 7.8443   1.2875  5.8684   1.6610  10.818   2.0378  26.600  4.1163 36.474  3.6114 -9.874382      5.475948 
1 1 1 18 12 35 o 11.101  4.4512 0.5441   1.1792  1.1599   1.5351  -0.3426  1.8419  13.603  5.1858 11.668  5.1487 1.934074       7.307649 
1 1 1 18 12 36 o 28.796  2.9050 6.6938   1.2935  6.6839   1.6959  6.7076   2.0000  28.451  3.9054 28.202  4.6883 0.2491722      6.101849 
1 1 1 18 12 37 o 33.066  2.7854 8.7958   1.4304  9.0636   1.7574  8.2701   2.4623  33.361  3.4080 31.083  5.2395 2.278091       6.250394 
1 1 1 18 12 38 o 39.228  2.3799 12.286   1.4566  11.229   1.9726  13.554   2.1601  37.130  3.4275 40.830  3.4058 -3.700249      4.831900 
1 1 1 18 12 39 o 42.584  2.3167 14.469   1.5407  13.414   2.0767  15.759   2.2978  40.635  3.2883 44.033  3.3540 -3.398190      4.697005 
1 1 1 18 12 40 o 26.196  3.4036 5.6458   1.3647  8.9305   1.9547  2.5223   1.9062  32.835  3.8718 17.354  5.8811 15.48174       7.041195 
1 1 1 18 12 41 o 24.104  3.7335 4.8488   1.3652  3.3355   1.8608  6.6129   2.0091  19.392  5.7259 27.747  4.7919 -8.355696      7.466509 
1 1 1 18 12 42 o 67.126  1.7679 35.687   1.8603  33.542   2.5210  38.251   2.7566  64.754  2.4834 69.115  2.5442 -4.361549      3.555324 
1 1 1 18 12 43 o 11.731  4.6544 0.7397   1.2759  1.5390   1.7017  -0.2865  1.9282  14.587  5.4833 11.811  5.2369 2.775945       7.582283 
1 1 1 18 12 44 o 70.591  1.7552 39.513   1.9423  37.769   2.5769  41.808   2.9556  68.678  2.3935 72.109  2.6146 -3.431740      3.544696 
1 1 1 18 12 45 o 35.495  2.8114 10.245   1.5516  11.738   2.2245  8.8294   2.1651  37.446  3.8440 32.104  4.4191 5.342014       5.857042 
1 1 1 18 12 46 o 30.668  3.0900 7.7369   1.4654  7.4606   2.0027  8.0551   2.1498  29.374  4.4918 30.442  4.6524 -1.068048      6.466966 
1 1 1 18 12 47 o 8.7203  4.0319 -0.8562  1.2970  -0.7886  1.7728  -0.9340  1.9026  10.519  4.8084 10.749  4.9384 -0.2298307     6.892666 
1 1 1 18 12 48 o 11.062  4.7077 0.2792   1.4306  1.1997   1.8179  -1.2185  2.3188  13.837  5.5342 11.598  5.3725 2.238397       7.713080 
1 1 1 18 12 49 o 11.499  4.8058 0.4884   1.4479  0.0968   1.8610  1.0891   2.3049  11.966  5.2307 14.519  6.0653 -2.552532      8.009267 
1 1 1 18 12 50 o 51.003  2.2423 20.904   1.7929  20.717   2.2758  21.211   2.9109  50.288  2.8991 50.192  3.7260 0.9590912E-01  4.721003 
1 1 1 18 12 51 o 32.557  2.9774 8.7506   1.5028  11.162   2.2896  6.9257   1.9919  36.007  4.1309 27.900  4.7227 8.107925       6.274397 
1 1 1 18 12 52 o 21.081  4.4242 3.9554   1.4155  3.8350   2.0820  4.0590   1.9303  19.894  6.0981 20.620  5.7532 -0.7259274     8.383679 
1 1 1 18 12 53 o 41.859  2.5941 14.288   1.6939  14.102   2.6717  14.413   2.1904  40.268  4.2987 41.476  3.3985 -1.208080      5.479864 
1 1 1 18 12 54 o 22.611  4.2557 4.5223   1.4532  4.2372   2.0729  4.7978   2.0377  20.800  6.0156 22.305  5.7803 -1.505188      8.342638 
1 1 1 18 12 55 o 17.530  5.0733 2.8681   1.4739  4.9797   2.2104  1.1776   1.9777  22.390  6.1217 13.809  5.6797 8.580948       8.350642 
1 1 1 18 12 56 o 16.903  5.1120 2.6825   1.4699  -0.0436  2.0355  5.6536   2.1250  11.963  5.3378 24.135  5.7062 -12.17195      7.813603 
1 1 1 18 12 57 o 11.266  4.7545 0.5048   1.4389  -0.0649  2.0496  1.0585   2.0206  11.898  5.3291 13.516  5.6652 -1.617570      7.777801 
1 1 1 18 12 58 o 11.663  4.8562 0.6967   1.4706  0.3949   2.2928  0.9076   1.9167  12.930  5.7229 12.978  5.4827 -0.4834270E-01 7.925324 
1 1 1 18 12 59 o 13.257  5.2691 1.3561   1.6379  2.5848   2.6251  0.5729   2.0959  16.410  6.6196 12.681  5.5467 3.729649       8.636314 
1 1 1 18 13 0  o 24.710  6.7109 5.8158   2.2471  5.8158   2.2471  5.8158   2.2471  24.710  6.7109 24.710  6.7109 0.000000       0.000000 
1 1 1 18 13 1  o 36.715  3.2014 10.791   1.8242  10.393   2.3576  11.384   2.8796  35.731  4.2949 37.158  5.0763 -1.426491      6.649472 
1 1 1 18 13 2  o 65.432  2.8692 33.936   2.9431  32.211   3.9723  36.035   4.3820  63.290  4.0246 66.880  4.2008 -3.590805      5.817572 
1 1 1 18 13 3  o 37.958  3.6889 11.606   2.1674  9.5207   2.7261  15.188   3.5735  33.845  5.3130 42.861  5.4409 -9.015850      7.604719 
1 1 1 18 13 4  o 44.759  2.8688 15.943   2.0024  17.157   2.4627  13.574   3.4397  46.296  3.4174 40.432  5.5751 5.864388       6.539094 
1 1 1 18 13 5  o 61.790  2.2233 30.130   2.1536  34.297   2.9141  25.117   3.1967  65.787  2.8256 55.979  3.6629 9.808033       4.626148 
1 1 1 18 13 6  o 51.500  2.4739 20.966   1.9973  19.802   2.6399  22.523   3.0545  49.753  3.4052 52.982  3.7008 -3.229546      5.028984 
1 1 1 18 13 7  o 42.031  2.4927 14.015   1.6351  11.780   2.3373  16.158   2.2883  38.158  3.9652 44.955  3.2694 -6.796947      5.139186 
1 1 1 18 13 8  o 35.229  2.8513 9.9013   1.5612  8.8929   2.0181  11.404   2.4636  33.098  3.9687 37.442  4.2737 -4.343922      5.832214 
1 1 1 18 13 9  o 59.099  1.9119 27.519   1.7714  28.847   2.4967  26.173   2.5136  60.368  2.6382 57.469  2.7900 2.899387       3.839835 
1 1 1 18 13 10 o 52.619  1.9151 21.816   1.5798  22.018   2.1453  21.577   2.3350  52.747  2.5944 52.084  2.8708 0.6624680      3.869424 
1 1 1 18 13 11 o 74.262  1.7714 43.423   2.0622  44.498   2.9538  42.400   2.8805  75.005  2.5121 73.216  2.5096 1.788666       3.550898 
1 1 1 18 13 12 o 74.152  1.6688 43.275   1.9399  43.334   2.6463  43.206   2.8521  74.073  2.2789 73.917  2.4613 0.1559982      3.354272 
1 1 1 18 13 13 o 11.797  4.5886 0.7312   1.2190  0.5567   1.6722  0.9293   1.7810  12.809  5.2399 13.869  5.5000 -1.060007      7.596516 
1 1 1 18 13 14 o 55.718  1.8577 24.460   1.6227  28.298   2.2289  20.131   2.3670  59.832  2.3763 50.250  3.0187 9.582344       3.841803 
1 1 1 18 13 15 o 36.851  2.4600 10.789   1.4130  12.920   1.9179  8.2592   2.0897  40.201  3.0663 31.751  4.3097 8.449436       5.289218 
1 1 1 18 13 16 o 39.865  2.2491 12.593   1.3998  12.476   1.8759  12.740   2.1027  39.499  3.0532 39.825  3.4006 -0.3255997     4.570131 
1 1 1 18 13 17 o 97.786  1.5485 75.232   2.3738  72.451   3.1460  78.909   3.6173  95.812  2.0945 99.918  2.3093 -4.105759      3.117708 
1 1 1 18 13 18 o 36.964  2.4578 10.859   1.4161  8.4831   1.8578  14.156   2.1879  32.340  3.7330 41.995  3.3513 -9.655083      5.016611 
1 1 1 18 13 19 o 14.584  4.7714 1.6783   1.2568  1.5319   1.6458  1.8830   1.9464  14.873  5.4280 16.267  5.9080 -1.393613      8.022885 
1 1 1 18 13 20 o 43.441  2.1668 14.907   1.4756  17.165   2.0266  12.361   2.1527  46.413  2.7984 39.153  3.5457 7.259659       4.517015 
1 1 1 18 13 21 o 20.610  4.1481 3.5408   1.2939  2.8328   1.7503  4.3940   1.9213  18.408  5.5808 22.677  5.4681 -4.268812      7.813136 
1 1 1 18 13 22 o 35.607  2.4534 10.088   1.3611  8.8904   1.8158  11.624   2.0563  33.139  3.5505 37.957  3.4951 -4.818024      4.982167 
1 1 1 18 13 23 o 49.351  1.9962 19.227   1.5444  19.865   2.0803  18.444   2.3053  49.956  2.6659 48.007  3.0793 1.948723       4.073006 
1 1 1 18 13 24 o 59.068  1.8250 27.517   1.6899  29.863   2.3299  24.912   2.4548  61.393  2.4208 55.973  2.7976 5.419369       3.699590 
1 1 1 18 13 25 o 78.444  1.6443 48.481   2.0221  49.356   2.7570  47.462   2.9747  78.981  2.2267 77.374  2.4524 1.607033       3.312459 
1 1 1 18 13 26 o 39.012  2.3504 12.101   1.4308  12.208   1.9503  11.977   2.1055  38.944  3.2234 38.472  3.5304 0.4726067      4.780599 
1 1 1 18 13 27 o 57.344  1.9330 25.971   1.7377  25.865   2.2367  26.133   2.7599  57.083  2.4995 57.109  3.0943 -0.2579498E-01 3.977657 
1 1 1 18 13 28 o 44.773  2.1589 15.867   1.5153  19.044   2.0924  12.364   2.1974  48.832  2.7444 39.022  3.6338 9.809563       4.553770 
1 1 1 18 13 29 f 15.276  4.8559 1.9097   1.3077  2.1500   1.8333  1.6607   1.8660  16.572  5.7624 15.473  5.7565 1.098723       8.145037 
1 1 1 18 13 30 o 52.286  1.9700 21.618   1.6148  22.751   2.1995  20.294   2.3781  53.457  2.6247 50.273  3.0316 3.183506       4.009953 
1 1 1 18 13 31 o 15.409  4.7820 1.9712   1.2758  3.1565   1.7165  0.5083   1.9070  19.121  5.4573 13.223  5.5199 5.898019       7.762182 
1 1 1 18 13 32 o 28.389  3.0546 6.5325   1.3380  6.7752   1.7842  6.2206   2.0228  28.555  4.1035 27.001  4.9616 1.554346       6.438639 
1 1 1 18 13 33 o 14.685  4.7857 1.7567   1.2648  2.5399   1.7000  0.7857   1.8929  17.343  5.5389 13.641  5.5772 3.701120       7.860328 
1 1 1 18 13 34 o 34.877  2.5116 9.7460   1.3640  10.073   1.8563  9.3615   2.0111  35.146  3.4120 33.681  3.8798 1.465603       5.166739 
1 1 1 18 13 35 f 18.954  4.8189 3.1129   1.4351  3.2156   1.9468  2.9906   2.1237  19.164  5.9004 18.675  6.2070 0.4891167      8.563964 
1 1 1 18 13 36 o 16.026  5.0566 2.1737   1.4201  2.3045   1.8907  2.0044   2.1512  16.796  5.8512 16.460  6.1694 0.3361473      8.502792 
1 1 1 18 13 37 f 20.951  4.3417 3.7611   1.3791  2.2102   1.9578  5.2887   1.9430  16.604  5.9389 24.556  5.2088 -7.951429      7.899500 
1 1 1 18 13 38 o 15.055  4.9408 1.8898   1.3472  4.4170   1.9517  -0.4106  1.8620  22.193  5.6074 11.467  5.1116 10.72670       7.587589 
1 1 1 18 13 39 o 26.896  3.5532 6.0095   1.4615  5.3874   2.0941  6.6003   2.0407  24.499  5.5775 27.556  4.9036 -3.056688      7.426580 
1 1 1 18 13 40 o 30.604  3.1414 7.6818   1.4858  5.4338   2.0741  10.051   2.1294  24.572  5.5192 34.604  3.9991 -10.03193      6.815726 
1 1 1 18 13 41 o 50.773  2.0753 20.551   1.6519  21.003   2.2713  20.043   2.4068  50.876  2.8594 49.539  3.1150 1.336521       4.228417 
1 1 1 18 13 42 o 20.919  4.6569 3.8614   1.4879  3.0455   1.9323  5.0500   2.3322  18.320  5.9110 23.117  6.2747 -4.796839      8.620401 
1 1 1 18 13 43 o 50.176  2.1196 20.124   1.6672  21.353   2.2847  18.725   2.4384  51.211  2.8573 47.662  3.2835 3.548325       4.352659 
1 1 1 18 13 44 o 32.724  3.0555 8.8201   1.5494  12.296   2.2628  5.7525   2.1259  38.183  3.8319 24.987  5.5694 13.19624       6.760334 
1 1 1 18 13 45 o 26.799  3.3843 6.0156   1.3901  6.1431   1.9038  5.8699   2.0346  26.288  4.7963 25.371  5.2870 0.9171715      7.138392 
1 1 1 18 13 46 o 17.006  4.8843 2.6156   1.3708  3.6415   1.8951  1.4899   1.9853  19.639  5.7726 14.628  5.8051 5.010857       8.186752 
1 1 1 18 13 47 o 38.202  2.7613 11.944   1.6425  13.145   2.3365  10.770   2.3095  39.337  3.8378 35.264  4.2643 4.073048       5.736977 
1 1 1 18 13 48 o 15.368  5.2320 2.0857   1.5087  3.2921   2.0104  0.5305   2.2826  18.571  6.0327 13.507  5.8495 5.064184       8.402999 
1 1 1 18 13 49 o 11.613  4.8120 0.6057   1.4339  1.0281   2.0603  0.2089   1.9970  13.805  5.7480 12.369  5.4123 1.435745       7.895117 
1 1 1 18 13 50 o 18.763  4.7658 3.2200   1.4045  2.0302   1.9036  4.6416   2.0808  15.483  5.8035 21.852  5.9251 -6.368320      8.293806 
1 1 1 18 13 51 f 33.299  2.9030 9.1746   1.5002  9.6338   2.0641  8.6603   2.1844  33.348  4.0300 31.160  4.6109 2.187939       6.123885 
1 1 1 18 13 52 o 47.024  2.2906 17.882   1.6886  17.179   2.2565  18.776   2.5456  45.347  3.1946 47.160  3.4675 -1.813091      4.714761 
1 1 1 18 13 53 o 8.7731  4.0850 -0.9126  1.3677  -2.1310  1.8513  0.5517   2.0295  9.1345  4.3949 12.792  5.5278 -3.657459      7.061952 
1 1 1 18 13 54 o 34.703  3.2226 10.162   1.7332  9.4052   2.2408  11.288   2.7345  32.291  4.5529 34.788  5.1715 -2.497150      6.890059 
1 1 1 18 13 55 f 34.093  3.1061 9.7970   1.6419  10.022   2.2734  9.5521   2.3737  33.305  4.4669 32.130  4.8648 1.174870       6.604491 
1 1 1 18 13 56 o 15.189  5.4722 2.1735   1.6650  -1.1625  2.7965  4.0057   2.0724  12.170  5.7228 19.545  6.0996 -7.374969      8.363903 
1 1 1 18 13 57 o 7.7446  3.7976 -2.5208  1.5702  -2.7036  2.4488  -2.3932  2.0463  10.112  4.9106 9.3059  4.5121 0.8061924      6.668842 
1 1 1 18 14 0  o 8.0104  5.3022 -0.3859  1.7429  -0.3859  1.7429  -0.3859  1.7429  8.0104  5.3022 8.0104  5.3022 0.000000       0.000000 
1 1 1 18 14 1  o 28.038  3.2494 6.3470   1.4018  5.6609   1.9460  7.0871   2.0210  25.970  4.9608 29.269  4.5526 -3.299713      6.733137 
1 1 1 18 14 2  o 65.349  1.7181 33.635   1.7601  33.897   2.4971  33.376   2.4815  65.446  2.4339 64.940  2.4375 0.5052643      3.444551 
1 1 1 18 14 3  o 8.9741  4.0840 -0.7290  1.2611  -1.3816  1.7140  0.0413   1.8621  9.9171  4.6027 12.442  5.3348 -2.524734      7.045872 
1 1 1 18 14 4  o 17.158  4.8985 2.4613   1.3827  4.3326   1.9550  0.5883   1.9559  22.518  5.5693 13.654  5.6358 8.863425       7.923331 
1 1 1 18 14 5  o 45.942  2.3634 16.740   1.6964  15.436   2.2603  18.421   2.5671  43.864  3.3114 47.896  3.4418 -4.032246      4.776159 
1 1 1 18 14 6  o 29.200  3.3793 6.8948   1.5183  8.3882   2.0436  5.0549   2.2683  32.009  4.1718 24.225  6.0034 7.784294       7.310551 
1 1 1 18 14 7  o 75.639  1.9865 45.140   2.3555  45.730   2.9796  44.157   3.8464  75.986  2.5013 74.384  3.2985 1.601662       4.139703 
1 1 1 18 14 8  o 35.976  2.8521 10.345   1.5954  9.3317   2.1220  11.664   2.4195  33.808  4.0867 37.825  4.1485 -4.016750      5.823307 
1 1 1 18 14 9  o 63.524  1.9984 31.845   1.9901  29.552   2.8636  33.986   2.7678  60.939  2.9975 65.445  2.6978 -4.505669      4.032730 
1 1 1 18 14 10 o 47.161  2.2464 17.585   1.6608  16.330   2.3489  18.839   2.3486  45.096  3.3464 48.532  3.1032 -3.436012      4.563786 
1 1 1 18 14 11 o 77.600  1.8635 47.485   2.2669  46.293   3.3889  48.450   3.0496  76.321  2.8325 78.202  2.4876 -1.880730      3.769736 
1 1 1 18 14 12 o 28.448  3.7868 6.6080   1.6469  5.3614   2.3776  7.7578   2.2833  24.877  6.1350 30.470  4.9500 -5.593063      7.882931 
1 1 1 18 14 13 o 13.595  5.2434 1.0697   1.5814  0.8855   2.2880  1.2381   2.1883  14.993  6.1310 15.387  6.0984 -0.3936224     8.647555 
1 1 1 18 14 14 o 48.844  2.5739 18.975   1.9639  19.731   2.8718  18.311   2.6918  49.422  3.7342 47.638  3.6317 1.783463       5.208996 
1 1 1 18 14 15 o 16.850  4.9612 2.3732   1.3987  3.5235   2.1500  1.5291   1.8417  20.343  6.1893 15.216  5.7073 5.127182       8.419109 
1 1 1 18 14 16 f 32.932  3.1086 8.7273   1.5859  9.8630   2.4965  7.9590   2.0535  34.472  4.7455 31.055  4.3362 3.416168       6.428211 
1 1 1 18 14 17 o 62.054  2.0400 30.424   1.9846  32.389   3.0988  29.058   2.5840  63.697  3.1033 60.457  2.7264 3.239662       4.130815 
1 1 1 18 14 18 o 23.381  4.0900 4.5411   1.4445  6.0189   2.2509  3.5063   1.8836  26.473  5.5987 20.210  5.6989 6.262766       7.988929 
1 1 1 18 14 19 o 22.872  4.3491 4.3817   1.5024  4.2826   2.2818  4.4575   1.9962  22.173  6.2795 22.710  5.6339 -0.5377884     8.436453 
1 1 1 18 14 20 o 42.033  2.6040 14.092   1.7074  11.476   2.4983  16.386   2.3390  37.323  4.3515 45.097  3.3321 -7.773159      5.480700 
1 1 1 18 14 21 o 62.490  2.0168 30.871   1.9757  29.888   2.9430  31.677   2.6658  61.068  3.0840 63.090  2.6953 -2.021793      4.095870 
1 1 1 18 14 22 o 37.818  2.6635 11.436   1.5690  10.360   2.1802  12.593   2.2598  35.552  3.9800 39.341  3.7077 -3.789433      5.439487 
1 1 1 18 14 23 o 69.985  1.7199 38.645   1.8870  38.933   2.5603  38.304   2.7919  70.053  2.3314 69.397  2.5663 0.6565170      3.467150 
1 1 1 18 14 24 o 55.191  1.9011 24.075   1.6448  24.433   2.2393  23.656   2.4239  55.408  2.5780 54.357  2.8545 1.051292       3.846351 
1 1 1 18 14 25 o 49.500  2.0680 19.401   1.6048  19.426   2.1450  19.370   2.4185  49.254  2.7895 49.034  3.1631 0.2193527      4.217407 
1 1 1 18 14 26 o 70.594  1.7390 39.355   1.9246  39.465   2.5682  39.214   2.9067  70.488  2.3241 70.128  2.6440 0.3601913      3.520228 
1 1 1 18 14 27 o 24.669  3.7231 5.0367   1.3950  5.6069   1.7927  4.1613   2.2211  25.720  4.6158 21.659  6.2163 4.061663       7.742588 
1 1 1 18 14 28 o 32.445  2.8240 8.4855   1.4220  9.2121   1.9383  7.6386   2.0926  33.472  3.7589 30.105  4.5783 3.367138       5.923706 
1 1 1 18 14 29 o 20.909  4.2546 3.7127   1.3472  2.8809   1.8762  4.5977   1.9355  18.300  5.8162 22.873  5.4713 -4.572775      7.985179 
1 1 1 18 14 30 o 41.733  2.3433 13.910   1.5269  13.414   2.0440  14.536   2.2967  40.641  3.2351 42.192  3.5040 -1.550774      4.769034 
1 1 1 18 14 31 o 23.590  3.7312 4.6406   1.3340  3.7925   1.7708  5.7533   2.0283  20.723  5.3972 25.679  5.2165 -4.956087      7.506084 
1 1 1 18 14 32 o 12.451  4.7723 0.9768   1.3044  -0.6446  1.7499  3.0046   1.9569  10.806  4.8747 18.536  5.9451 -7.730012      7.688148 
1 1 1 18 14 33 o 45.015  2.4074 16.230   1.6927  15.874   2.4016  16.581   2.3861  43.993  3.5116 45.026  3.4056 -1.033428      4.891752 
1 1 1 18 14 34 o 48.979  2.0884 19.087   1.6035  18.121   2.1699  20.249   2.3799  47.296  2.9412 49.942  3.0545 -2.646320      4.240329 
1 1 1 18 14 35 o 24.279  4.2254 5.0336   1.5499  5.0065   1.9005  5.0876   2.6780  23.728  5.2483 23.164  6.8764 0.5646858      8.650421 
1 1 1 18 14 36 o 13.639  4.9012 1.4347   1.3349  1.3931   1.8225  1.4828   1.9606  14.423  5.6104 14.860  5.8083 -0.4367161     8.075451 
1 1 1 18 14 37 o 11.734  4.6686 0.7534   1.2871  1.4996   1.7440  -0.1394  1.9074  14.467  5.5245 11.880  5.2408 2.587761       7.614873 
1 1 1 18 14 38 o 35.752  2.6259 10.362   1.4614  10.460   2.0029  10.251   2.1372  35.380  3.6642 34.828  3.9860 0.5514832      5.414353 
1 1 1 18 14 39 f 17.863  4.7094 2.8452   1.3375  2.5048   1.8082  3.2566   1.9876  16.836  5.7279 18.768  5.9886 -1.931938      8.286906 
1 1 1 18 14 40 o 11.007  4.5860 0.4327   1.3128  0.1200   1.7826  0.8033   1.9405  11.815  5.1431 13.351  5.5704 -1.535739      7.581601 
1 1 1 18 14 41 o 10.975  4.7640 0.0929   1.5209  -0.5986  1.9364  1.2066   2.4574  11.204  5.0841 14.965  6.2582 -3.761682      8.063090 
1 1 1 18 14 42 o 33.770  3.0964 9.4373   1.6210  9.4415   2.2175  9.4326   2.3754  32.926  4.4067 32.630  4.7860 0.2960167      6.505712 
1 1 1 18 14 43 o 42.645  2.6467 14.827   1.7607  15.310   2.3818  14.245   2.6143  42.656  3.5954 40.677  4.1582 1.979103       5.497087 
1 1 1 18 14 44 o 13.057  4.9488 1.2710   1.3928  1.5046   1.8890  0.9926   2.0618  14.408  5.6801 13.764  5.7422 0.6441355      8.076946 
1 1 1 18 14 45 o 33.134  3.2681 9.1866   1.6754  8.5459   2.1612  10.152   2.6523  31.045  4.5780 33.299  5.2551 -2.253942      6.969536 
1 1 1 18 14 46 o 12.747  5.0120 1.1037   1.4671  0.2645   1.8819  2.4044   2.3427  12.129  5.2820 16.609  6.3886 -4.479689      8.289399 
1 1 1 18 14 47 o 30.698  3.4813 7.9865   1.6457  6.2299   2.0539  11.137   2.7507  25.888  5.2408 34.846  5.1940 -8.958529      7.378606 
1 1 1 18 14 48 o 16.926  5.2878 2.6868   1.5571  1.7712   2.2209  3.5720   2.1836  15.218  6.1063 18.949  6.2937 -3.731082      8.769126 
1 1 1 18 14 49 o 22.353  4.5017 4.5191   1.5230  5.8340   2.3476  3.5636   2.0012  24.130  6.1791 18.967  6.0045 5.163437       8.616016 
1 1 1 18 14 50 o 8.4228  4.0320 -1.6712  1.5144  -1.4336  2.2421  -1.8705  2.0536  10.875  5.1173 9.9562  4.7465 0.9189434      6.979658 
1 1 1 18 14 51 o 21.546  4.4435 4.2329   1.4510  4.9118   1.9870  3.4571   2.1240  22.306  5.6700 18.427  6.2083 3.879248       8.407855 
1 1 1 18 14 52 o 14.702  5.0217 1.9934   1.3899  2.4174   1.8772  1.4789   2.0678  15.926  5.7992 14.186  5.8178 1.740352       8.214506 
1 1 1 18 14 53 o 26.407  3.5806 6.0780   1.4440  3.8917   1.9934  8.4920   2.0947  19.336  5.9736 30.424  4.5300 -11.08815      7.497007 
1 1 1 18 14 54 o 13.601  4.9949 1.6558   1.3968  -0.2505  1.9348  3.7309   2.0186  11.129  5.0624 18.719  6.0418 -7.589925      7.882355 
1 1 1 18 15 0  o 55.934  2.8718 24.873   2.5030  24.873   2.5030  24.873   2.5030  55.934  2.8718 55.934  2.8718 0.000000       0.000000 
1 1 1 18 15 1  o 46.939  2.1101 17.424   1.5527  18.329   2.2290  16.571   2.1642  47.843  2.9868 45.459  3.0545 2.383907       4.272127 
1 1 1 18 15 2  o 43.030  2.2428 14.698   1.5077  13.272   2.1215  16.154   2.1430  40.560  3.3669 44.877  3.0644 -4.316738      4.552645 
1 1 1 18 15 3  o 76.360  1.6401 45.951   1.9634  44.763   2.7799  47.134   2.7733  75.149  2.3597 77.138  2.2933 -1.988869      3.290536 
1 1 1 18 15 4  o 53.396  1.9321 22.517   1.6173  21.661   2.2702  23.400   2.3046  52.089  2.7903 54.236  2.7105 -2.147392      3.890007 
1 1 1 18 15 5  o 32.067  2.9277 8.2648   1.4556  9.3517   2.2016  7.4209   1.9401  33.687  4.2644 29.961  4.2497 3.726116       6.020379 
1 1 1 18 15 6  o 21.160  4.2205 3.7539   1.3509  3.7388   1.7919  3.7737   2.0562  20.837  5.4305 20.888  5.9770 -0.5018044E-01 8.075573 
1 1 1 18 15 7  o 11.695  4.5578 0.7366   1.2046  1.9262   1.7073  -0.4424  1.6998  15.867  5.5584 11.075  4.9133 4.792588       7.418679 
1 1 1 18 15 8  o 33.233  2.7584 8.8512   1.4241  8.3996   1.9136  9.4118   2.1320  32.022  3.8919 33.843  4.1023 -1.821320      5.654717 
1 1 1 18 15 9  o 27.510  3.2823 6.1458   1.3876  4.8515   2.0191  7.3041   1.9101  23.692  5.5360 29.713  4.2192 -6.021294      6.960464 
1 1 1 18 15 10 o 69.541  1.6554 38.127   1.8047  37.984   2.5338  38.274   2.5709  69.212  2.3353 69.467  2.3608 -0.2548447     3.320667 
1 1 1 18 15 11 o 75.741  1.6253 45.222   1.9298  42.719   2.7066  47.811   2.7523  73.387  2.3526 77.673  2.2603 -4.285896      3.262483 
1 1 1 18 15 12 o 46.838  2.0305 17.351   1.4909  15.848   2.1081  18.855   2.1089  44.417  3.0459 48.561  2.7818 -4.143250      4.124991 
1 1 1 18 15 13 o 55.542  1.8127 24.357   1.5783  25.454   2.2632  23.319   2.2022  56.576  2.5518 54.139  2.5947 2.437119       3.639212 
1 1 1 18 15 14 o 27.865  3.1522 6.2966   1.3528  7.2495   1.8394  5.1741   1.9964  29.617  4.0692 24.491  5.3497 5.126194       6.721443 
1 1 1 18 15 15 o 51.591  2.0613 21.068   1.6671  20.892   2.1321  21.346   2.6743  51.141  2.6687 51.428  3.3351 -0.2868462     4.271400 
1 1 1 18 15 16 o 74.584  1.8798 43.967   2.1979  44.422   2.9788  43.422   3.2563  74.713  2.5433 73.742  2.8168 0.9709320      3.795050 
1 1 1 18 15 17 o 63.477  1.9703 31.879   1.9607  31.891   2.5822  31.864   3.0131  63.270  2.6034 63.055  3.0482 0.2143097      4.008629 
1 1 1 18 15 18 o 71.518  1.9107 40.453   2.1421  42.673   2.8966  37.774   3.1825  73.209  2.5239 68.682  2.9557 4.527435       3.886684 
1 1 1 18 15 19 o 12.521  4.9046 0.8675   1.4003  1.7021   1.9145  -0.0927  2.0535  15.565  5.8228 12.640  5.5108 2.924472       8.017087 
1 1 1 18 15 20 o 16.089  5.0599 2.1681   1.4231  3.3665   1.8954  0.6196   2.1545  19.635  5.7735 14.007  5.8588 5.628171       8.225524 
1 1 1 18 15 21 o 61.060  2.0187 29.543   1.9323  27.289   2.5209  32.754   3.0088  58.413  2.7529 63.874  3.0048 -5.460686      4.075193 
1 1 1 18 15 22 o 47.158  2.2805 17.683   1.6859  20.674   2.3713  14.625   2.3975  50.648  2.9999 42.282  3.6529 8.365887       4.726831 
1 1 1 18 15 23 o 45.596  2.2096 16.523   1.5794  16.826   2.1117  16.138   2.3796  45.673  2.9653 44.512  3.4368 1.161556       4.539199 
1 1 1 18 15 24 o 39.259  2.4657 12.343   1.5098  14.494   2.0815  9.9550   2.1933  42.274  3.1638 34.572  4.1284 7.701607       5.201303 
1 1 1 18 15 25 o 47.574  2.1964 18.002   1.6381  17.079   2.1629  19.243   2.5086  45.953  3.0192 48.640  3.3096 -2.687237      4.479795 
1 1 1 18 15 26 o 42.590  2.3335 14.504   1.5520  14.927   2.1040  13.999   2.2988  42.864  3.1532 41.291  3.5870 1.572830       4.775858 
1 1 1 18 15 27 o 32.840  2.9956 8.7673   1.5252  9.3167   1.9443  7.8884   2.4593  33.525  3.7645 29.959  5.4365 3.565245       6.612632 
1 1 1 18 15 28 o 25.534  3.8112 5.4618   1.4789  4.8782   1.8921  6.3781   2.3710  23.466  5.2720 26.603  5.8448 -3.137535      7.871217 
1 1 1 18 15 29 o 24.461  3.9767 5.0571   1.4725  5.2891   1.9056  4.7131   2.3199  24.487  5.1286 22.568  6.3108 1.918425       8.132010 
1 1 1 18 15 30 o 54.194  2.3767 23.503   2.0192  24.515   2.8713  22.513   2.8400  54.698  3.3649 52.330  3.4818 2.368507       4.842026 
1 1 1 18 15 31 o 76.769  2.0627 46.956   2.4825  46.186   3.1392  48.242   4.0559  75.744  2.6437 76.782  3.3696 -1.037857      4.282903 
1 1 1 18 15 32 o 18.773  4.9743 3.1463   1.4874  3.8990   1.9864  2.1856   2.2441  20.557  5.8719 16.625  6.2863 3.932077       8.602162 
1 1 1 18 15 33 o 26.281  3.8723 5.8544   1.5475  4.8796   2.0342  7.1936   2.3844  23.021  5.6732 28.133  5.6032 -5.111858      7.973768 
1 1 1 18 15 34 o 18.040  5.7310 2.9680   1.8218  2.7914   2.2458  3.3078   3.1156  17.754  6.3595 19.257  7.3769 -1.503269      9.739688 
1 1 1 18 15 35 o 38.159  3.1432 12.005   1.8636  11.488   2.4930  12.659   2.8056  36.448  4.4559 37.991  4.8190 -1.543262      6.563376 
1 1 1 18 15 36 o 14.481  5.3110 1.6848   1.5784  2.8087   2.0246  -0.0571  2.5205  17.559  6.0584 13.364  5.9530 4.195333       8.493615 
1 1 1 18 15 37 o 22.870  4.5099 4.6334   1.5594  3.3530   1.9089  7.2018   2.7037  18.861  5.8487 27.194  6.4414 -8.332729      8.700521 
1 1 1 18 15 38 o 41.945  2.9232 14.464   1.9102  15.040   2.4416  13.555   3.0667  42.171  3.7317 38.772  5.1746 3.399067       6.379849 
1 1 1 18 15 39 o 15.157  5.5693 1.9351   1.7368  3.9240   2.3347  -0.5294  2.5990  19.929  6.5025 12.866  5.8581 7.063786       8.752143 
1 1 1 18 15 40 f 17.707  5.5482 2.9461   1.7128  2.3130   2.5787  3.4459   2.2911  16.701  6.6197 18.798  6.4472 -2.097530      9.240555 
1 1 1 18 15 41 o 15.674  5.5363 2.1907   1.6963  0.1183   2.6424  3.6434   2.2124  13.606  6.0756 19.215  6.3328 -5.608907      8.775927 
1 1 1 18 15 42 o 9.7437  4.5566 -1.1836  1.7314  0.1005   2.7457  -2.0314  2.2309  13.745  6.1612 10.395  4.9535 3.349102       7.905529 
1 1 1 18 15 43 o 29.454  3.9892 7.5399   1.7946  8.2352   2.5489  6.8563   2.5272  29.365  5.7426 26.289  6.2278 3.076174       8.471285 
1 1 1 18 15 44 o 23.064  4.6885 4.8455   1.6374  2.7435   2.1431  7.7938   2.5381  17.048  6.1982 28.350  5.9027 -11.30131      8.559181 
1 1 1 18 15 45 o 47.575  2.5341 18.506   1.8832  16.460   2.5715  20.872   2.7655  43.769  3.7849 49.533  3.5857 -5.764259      5.213734 
1 1 1 18 15 46 o 24.574  3.9879 5.3134   1.4836  5.5666   2.2067  5.1045   2.0042  23.645  5.9562 22.884  5.6263 0.7605972      8.193379 
1 1 1 18 15 47 f 14.849  5.1107 2.0114   1.4403  3.2357   2.1070  0.9377   1.9733  17.934  6.1809 13.204  5.5696 4.730724       8.320113 
1 1 1 18 15 48 o 13.228  5.0462 1.4119   1.4541  -2.2274  2.1026  4.7480   2.0131  9.7142  4.6762 21.726  5.8015 -12.01142      7.451478 
1 1 1 18 15 49 o 13.371  5.0318 1.5057   1.4338  1.1659   2.0928  1.8064   1.9684  13.626  5.7412 14.614  5.7865 -0.9882107     8.151355 
1 1 1 18 15 50 o 24.291  4.2793 5.3871   1.5700  6.2306   2.3107  4.6639   2.1398  24.463  6.0573 20.963  6.1261 3.499531       8.615114 
1 1 1 18 15 51 o 21.131  4.6249 4.2370   1.4895  3.4699   2.2213  4.8637   2.0078  17.835  6.3315 21.582  5.8070 -3.747095      8.591236 
1 1 1 18 15 52 o 9.5352  4.3279 -0.2877  1.4043  -1.0199  2.0203  0.3968   1.9535  10.351  4.8665 11.897  5.2731 -1.545519      7.175553 
1 1 1 18 16 0  f 14.747  6.9480 2.5991   1.8109  2.5991   1.8109  2.5991   1.8109  14.747  6.9480 14.747  6.9480 0.000000       0.000000 
1 1 1 18 16 1  o 26.657  3.3308 5.8081   1.3615  4.7283   1.9093  6.9254   1.9421  23.312  5.3393 28.718  4.4585 -5.406197      6.956033 
1 1 1 18 16 2  f 12.105  4.6567 0.8738   1.2448  0.6658   1.7755  1.0748   1.7456  13.117  5.3865 13.859  5.4613 -0.7422256     7.670737 
1 1 1 18 16 3  o 21.192  4.0912 3.7810   1.3100  3.8070   1.8487  3.7548   1.8565  20.852  5.5554 20.706  5.5891 0.1460915      7.880429 
1 1 1 18 16 4  f 28.458  3.0514 6.5687   1.3401  3.1599   1.8151  10.653   1.9868  19.081  5.6605 36.125  3.5543 -17.04421      6.683841 
1 1 1 18 16 5  o 28.700  3.0740 6.6843   1.3616  6.3840   1.9083  6.9957   1.9433  27.486  4.5906 28.864  4.4367 -1.377920      6.384197 
1 1 1 18 16 6  o 13.728  4.7321 1.4596   1.2351  0.2294   1.7109  2.7981   1.7847  12.121  5.1532 18.083  5.6630 -5.961738      7.656700 
1 1 1 18 16 7  o 43.129  2.2416 14.812   1.5103  14.711   2.1267  14.915   2.1453  42.636  3.2052 42.930  3.2109 -0.2940407     4.536922 
1 1 1 18 16 8  o 9.9093  4.3654 -0.2533  1.3188  -1.7110  1.9172  1.0560   1.8170  10.154  4.7633 13.966  5.5501 -3.811802      7.313840 
1 1 1 18 16 9  o 56.594  1.8375 25.334   1.6303  25.622   2.2972  25.041   2.3140  56.664  2.5861 55.999  2.6359 0.6653023      3.692631 
1 1 1 18 16 10 o 31.361  2.8219 7.9363   1.3725  8.1746   1.9477  7.7013   1.9344  31.372  4.0552 30.389  4.1705 0.9829025      5.817059 
1 1 1 18 16 11 o 19.280  4.4492 3.1850   1.3174  4.7509   1.9184  1.7873   1.8124  23.295  5.3640 15.525  5.6914 7.770420       7.820796 
1 1 1 18 16 12 o 34.375  2.6373 9.4958   1.4104  7.7902   1.9514  11.361   2.0407  30.540  4.1861 37.271  3.5350 -6.730907      5.479030 
1 1 1 18 16 13 o 54.992  1.9571 23.965   1.6872  21.667   2.3396  26.455   2.4354  51.884  2.8878 57.496  2.7020 -5.611359      3.954778 
1 1 1 18 16 14 o 71.475  1.7248 40.392   1.9327  42.036   2.7688  38.830   2.6990  72.606  2.4325 69.765  2.4678 2.841011       3.465135 
1 1 1 18 16 15 o 69.225  1.7270 37.896   1.8742  36.105   2.6363  39.727   2.6649  67.244  2.5009 70.583  2.4084 -3.339447      3.471975 
1 1 1 18 16 16 o 35.351  2.7141 10.070   1.4926  8.8994   1.9974  11.551   2.2463  32.711  3.9770 37.361  3.8923 -4.650696      5.564715 
1 1 1 18 16 17 o 18.850  4.5898 3.0768   1.3436  1.1716   1.8062  5.4373   2.0105  14.081  5.5532 24.870  5.3178 -10.78895      7.688787 
1 1 1 18 16 18 o 38.391  2.4929 11.828   1.4922  13.460   2.0543  10.006   2.1711  40.641  3.2517 34.620  4.0786 6.020664       5.216187 
1 1 1 18 16 19 o 17.590  4.7196 2.6927   1.3285  2.1608   1.7717  3.3759   2.0078  16.244  5.6639 19.447  5.9931 -3.202848      8.245984 
1 1 1 18 16 20 o 46.530  2.2237 17.253   1.6221  18.242   2.1915  16.056   2.4123  47.461  2.9602 44.228  3.5080 3.232765       4.590081 
1 1 1 18 16 21 o 44.119  2.2752 15.571   1.5683  15.424   2.0967  15.757   2.3628  43.543  3.0917 43.809  3.4687 -0.2659760     4.646551 
1 1 1 18 16 22 o 7.9023  3.7490 -1.3791  1.2503  0.3031   1.7626  -3.0828  1.7738  12.241  5.2178 8.3319  4.0753 3.908857       6.620654 
1 1 1 18 16 23 o 38.177  2.5296 11.742   1.5054  10.383   2.0055  13.496   2.2782  35.363  3.6711 40.378  3.6382 -5.014900      5.168549 
1 1 1 18 16 24 o 35.528  2.5906 10.197   1.4329  9.7492   1.9306  10.746   2.1383  34.241  3.6529 35.845  3.8665 -1.604469      5.319164 
1 1 1 18 16 25 o 23.994  3.7800 4.8614   1.3748  5.8041   1.8793  3.7762   2.0163  25.725  4.8376 20.250  5.9550 5.474989       7.672364 
1 1 1 18 16 26 o 11.088  4.6738 0.3259   1.3879  1.9267   1.9568  -1.2947  1.9689  15.712  5.8850 10.586  4.9198 5.126109       7.670582 
1 1 1 18 16 27 o 23.741  4.4285 4.9043   1.5876  5.9563   2.2221  3.8075   2.2690  25.463  5.7077 20.124  6.3961 5.339121       8.572551 
1 1 1 18 16 28 o 54.530  2.7575 24.148   2.3496  23.162   2.9073  26.005   3.9895  52.820  3.5314 54.850  4.6846 -2.029411      5.866582 
1 1 1 18 16 29 o 13.102  5.5638 0.5831   1.9903  0.0163   2.6977  1.2601   2.9482  13.891  6.1751 15.921  6.7666 -2.030180      9.160700 
1 1 1 18 16 30 o 46.334  3.1221 17.680   2.2545  18.406   3.2410  17.000   3.1383  46.075  4.5464 44.223  4.5938 1.851219       6.463132 
1 1 1 18 16 31 o 12.639  5.3221 0.6200   1.7968  0.1635   2.6191  1.0258   2.4696  13.810  6.1143 14.683  6.2142 -0.8729477     8.717836 
1 1 1 18 16 32 o 51.716  3.1789 22.123   2.5648  19.391   3.8358  24.331   3.4492  46.225  5.3948 53.270  4.1633 -7.045528      6.814451 
1 1 1 18 16 33 o 47.302  3.5677 18.807   2.6261  19.607   4.1408  18.269   3.3966  45.778  5.9079 45.361  4.8517 0.4168167      7.644732 
1 1 1 18 16 34 o 39.309  3.6778 13.096   2.2401  12.755   3.1982  13.425   3.1385  36.970  5.7015 38.262  5.3811 -1.291924      7.839851 
1 1 1 18 16 35 o 39.290  3.2980 12.915   2.0125  15.370   3.2790  11.432   2.5492  41.069  5.2102 35.883  4.6404 5.186218       6.977080 
1 1 1 18 16 36 o 55.035  2.5317 24.624   2.1843  24.349   2.9667  24.950   3.2279  53.722  3.5425 54.059  3.8338 -0.3366432     5.219872 
1 1 1 18 16 37 o 24.096  4.0048 5.0781   1.4597  6.7152   1.9736  3.1014   2.1687  27.207  4.8030 17.893  6.2648 9.313332       7.894086 
1 1 1 18 16 38 o 13.225  4.9379 1.3895   1.3756  1.8405   1.8413  0.8198   2.0693  14.889  5.6787 13.339  5.6690 1.549695       8.024015 
1 1 1 18 16 39 o 16.542  5.1089 2.5564   1.4582  2.6239   1.9924  2.4785   2.1398  16.708  5.9895 16.455  6.1559 0.2534657      8.588897 
1 1 1 18 16 40 o 37.937  2.7017 11.855   1.5963  12.946   2.1516  10.519   2.3808  38.978  3.5605 34.276  4.5426 4.701668       5.771683 
1 1 1 18 16 41 o 14.997  5.1556 2.0423   1.4655  1.4897   1.9852  2.7041   2.1726  14.265  5.7557 16.850  6.2227 -2.585143      8.476423 
1 1 1 18 16 42 f 26.793  3.7452 6.2360   1.5301  4.5788   2.0317  8.4073   2.3256  21.393  5.8774 29.998  5.1296 -8.605478      7.801029 
1 1 1 18 16 43 o 9.9012  4.4567 -0.2884  1.4531  -0.0423  2.0030  -0.5618  2.1112  11.773  5.2709 11.391  5.2218 0.3822403      7.419527 
1 1 1 18 16 44 o 27.666  3.4423 6.5827   1.4606  5.2610   2.0587  7.9223   2.0727  22.939  5.7392 29.384  4.6546 -6.445620      7.389422 
1 1 1 18 16 45 o 27.237  3.6144 6.4620   1.5051  10.302   2.1474  2.7536   2.1103  33.998  4.1127 16.622  6.1339 17.37590       7.385040 
1 1 1 18 16 46 o 15.132  5.0795 2.1865   1.4218  1.8290   2.0339  2.5283   1.9883  14.614  5.8508 16.011  5.9449 -1.397059      8.341065 
1 1 1 18 16 47 o 20.498  4.5322 3.9611   1.4177  6.1442   2.0478  1.9516   1.9647  24.833  5.4129 14.683  5.7914 10.14998       7.927173 
1 1 1 18 16 48 o 31.855  3.0711 8.6795   1.5146  7.3143   2.0753  10.235   2.2156  27.447  5.0077 33.302  4.3477 -5.854790      6.631686 
1 1 1 18 16 49 o 11.068  4.6727 0.6454   1.3908  1.9923   1.9785  -0.6705  1.9556  14.495  5.7816 10.505  4.8891 3.990425       7.571660 
1 1 1 18 17 0  o 10.542  6.3197 1.0192   1.8701  1.0192   1.8701  1.0192   1.8701  10.542  6.3197 10.542  6.3197 0.000000       0.000000 
1 1 1 18 17 1  o 57.001  1.9624 25.795   1.7536  25.157   2.3372  26.616   2.6525  55.994  2.6626 57.370  2.9594 -1.376072      3.980843 
1 1 1 18 17 2  o 26.129  3.4977 5.6554   1.3968  6.3436   1.9653  4.9530   1.9855  27.105  4.8008 23.575  5.4771 3.530849       7.283261 
1 1 1 18 17 3  o 10.952  4.5749 0.3383   1.3111  0.2806   1.8713  0.3939   1.8375  12.548  5.3631 12.645  5.3564 -0.9682655E-01 7.579881 
1 1 1 18 17 4  f 33.116  2.9653 8.9150   1.5232  8.8245   2.2497  8.9916   2.0697  32.177  4.5900 32.731  4.1254 -0.5537567     6.171418 
1 1 1 18 17 5  o 12.378  4.7244 0.9898   1.2750  2.5527   1.8411  -0.4506  1.7674  17.261  5.7803 11.102  4.9623 6.158496       7.618145 
1 1 1 18 17 6  o 50.241  2.0601 20.073   1.6226  21.134   2.2999  19.021   2.2894  51.129  2.8811 48.420  3.0314 2.708973       4.182141 
1 1 1 18 17 7  o 15.648  4.9730 2.0862   1.3717  3.5794   1.8987  0.4560   1.9838  19.944  5.7541 13.118  5.5617 6.826812       8.002590 
1 1 1 18 17 8  o 12.579  4.7766 1.0496   1.2992  2.0221   1.8760  0.1533   1.8009  15.982  5.8008 12.115  5.2213 3.866991       7.804537 
1 1 1 18 17 9  o 48.130  2.0881 18.437   1.5755  19.565   2.2413  17.336   2.2150  49.145  2.9224 46.170  3.0779 2.975849       4.244277 
1 1 1 18 17 10 o 57.517  1.9175 26.272   1.7289  26.281   2.4339  26.264   2.4565  57.154  2.7164 57.121  2.7432 0.3336716E-01  3.860621 
1 1 1 18 17 11 o 37.843  2.4763 11.520   1.4610  13.313   2.1160  9.8871   2.0196  40.259  3.3841 34.447  3.8034 5.812450       5.090978 
1 1 1 18 17 12 o 33.427  2.6944 9.0463   1.4000  9.6761   2.0116  8.4547   1.9495  34.043  3.8362 31.709  4.0116 2.334017       5.550611 
1 1 1 18 17 13 o 26.857  3.2688 5.9555   1.3479  6.5876   1.8816  5.2892   1.9318  27.687  4.4889 24.389  5.2107 3.297735       6.877601 
1 1 1 18 17 14 o 24.061  3.6210 4.8534   1.3235  5.8631   1.9162  3.9323   1.8302  25.854  4.9071 20.834  5.5167 5.020866       7.383331 
1 1 1 18 17 15 o 22.130  3.8957 4.1642   1.3022  2.5906   1.8148  5.8339   1.8694  17.202  5.7389 25.829  4.7934 -8.627518      7.477355 
1 1 1 18 17 16 o 37.283  2.5395 11.224   1.4755  12.779   2.1502  9.8406   2.0283  39.276  3.5300 34.260  3.8428 5.015617       5.218078 
1 1 1 18 17 17 o 40.365  2.5203 13.150   1.5868  15.731   2.2585  10.634   2.2300  43.714  3.3205 35.455  4.0870 8.258759       5.265818 
1 1 1 18 17 18 o 22.639  4.5639 4.4899   1.5638  5.6491   2.0878  3.0085   2.3603  24.935  5.4897 18.370  6.5261 6.565353       8.527964 
1 1 1 18 17 19 o 33.454  3.5334 9.3279   1.8250  11.723   2.5019  6.6044   2.6681  36.965  4.4041 26.275  6.5106 10.69012       7.860324 
1 1 1 18 17 20 o 20.933  5.0313 3.9488   1.6306  2.9651   2.1787  5.2015   2.4586  18.108  6.2827 23.232  6.4969 -5.123842      9.037823 
1 1 1 18 17 21 o 28.238  4.1680 6.8514   1.7896  7.6656   2.3711  5.7737   2.7281  29.092  5.3979 24.173  6.8733 4.919025       8.739538 
1 1 1 18 17 22 o 28.820  4.1841 7.1516   1.8351  6.2496   2.4565  8.2907   2.7604  25.602  6.1891 29.651  6.1406 -4.049013      8.718480 
1 1 1 18 17 23 o 12.139  5.2481 0.2588   1.8311  -0.7047  2.5600  1.2681   2.6201  12.710  5.7977 15.333  6.4401 -2.622412      8.665302 
1 1 1 18 17 24 o 24.914  4.4471 5.4589   1.6732  5.3509   2.4234  5.5573   2.3130  23.375  6.4177 24.041  6.1211 -0.6657734     8.868718 
1 1 1 18 17 25 o 10.211  4.5921 -0.3956  1.5388  -0.3071  2.1965  -0.4808  2.1564  12.224  5.4930 11.908  5.3881 0.3161983      7.694458 
1 1 1 18 17 26 f 14.919  5.3754 1.8843   1.6067  1.6761   2.2314  2.1085   2.3153  15.264  6.1222 16.157  6.3128 -0.8927031     8.793882 
1 1 1 18 17 27 o 26.556  3.7998 6.0510   1.5368  8.9783   2.2732  3.5871   2.0855  31.762  4.7080 19.231  6.1342 12.53028       7.732635 
1 1 1 18 17 28 o 18.939  5.1674 3.3455   1.5769  1.3090   2.1426  5.7521   2.3291  14.402  5.9161 24.234  6.1272 -9.832808      8.517193 
1 1 1 18 17 29 o 10.828  4.6503 0.2460   1.4189  -1.1746  2.0100  1.6572   2.0034  10.614  4.9455 14.794  5.8440 -4.180267      7.655777 
1 1 1 18 17 30 o 28.021  3.6487 6.7194   1.5648  5.8678   2.2316  7.5431   2.1948  24.590  5.8703 28.674  5.0681 -4.084028      7.755382 
1 1 1 18 17 31 o 24.853  4.3131 5.4875   1.6195  4.9512   2.2024  6.1188   2.3897  22.293  6.1171 24.815  6.1692 -2.522333      8.687812 
1 1 1 18 17 32 o 17.441  5.5529 2.9076   1.7096  1.3232   2.3463  4.7010   2.4963  14.590  6.1094 21.229  6.7047 -6.638541      9.070746 
1 1 1 18 17 33 o 40.612  2.7160 13.580   1.7192  14.464   2.4353  12.702   2.4274  40.969  3.8365 38.108  4.1293 2.860630       5.636477 
1 1 1 18 17 34 o 45.669  2.5040 17.052   1.7859  17.706   2.5446  16.417   2.5071  45.569  3.5912 43.776  3.6876 1.792637       5.147318 
1 1 1 18 17 35 o 24.796  4.2190 5.4769   1.5812  4.2056   2.1763  6.8985   2.3014  20.281  6.2376 26.675  5.6777 -6.393917      8.434658 
1 1 1 18 17 36 o 21.586  5.1248 4.4215   1.7083  1.4830   2.3698  7.6000   2.4648  14.738  6.1530 27.844  5.8334 -13.10552      8.478708 
1 1 1 18 17 37 o 17.818  5.1557 3.0424   1.5223  3.1035   2.1752  2.9838   2.1311  17.607  6.2640 17.347  6.1970 0.2601070      8.811386 
1 1 1 18 17 38 o 13.680  5.1289 1.5702   1.4870  0.0505   2.0572  3.2328   2.1518  12.009  5.3618 17.842  6.2407 -5.832950      8.227707 
1 1 1 18 17 39 o 7.2151  3.5871 -3.3916  1.5809  -4.2033  2.1192  -2.3729  2.3740  8.3991  4.1719 10.304  4.9624 -1.905104      6.483105 
1 1 1 18 17 40 o 7.9849  3.8322 -1.5821  1.3877  -2.9716  1.7991  0.4588   2.1805  8.2058  4.0321 12.726  5.6093 -4.520081      6.908117 
1 1 1 18 17 41 o 22.445  4.8839 4.7961   1.6696  4.3097   2.2602  5.3802   2.4770  19.955  6.3882 22.089  6.6262 -2.133755      9.204063 
1 1 1 18 17 42 o 12.331  5.0842 0.9824   1.5897  3.3376   2.1406  -1.9138  2.3737  17.705  6.2226 10.535  5.0443 7.169746       8.010386 
1 1 1 18 17 43 o 23.296  4.5885 5.1160   1.6161  7.4844   2.3395  2.9541   2.2351  27.139  5.6812 16.716  6.2841 10.42250       8.471454 
1 1 1 18 17 44 o 14.529  5.2813 2.0389   1.5559  -1.2977  2.1384  5.7921   2.2679  10.380  4.9184 23.056  6.1582 -12.67589      7.881232 
1 1 1 18 17 45 o 31.827  3.5225 8.9494   1.7281  8.8177   2.4536  9.0791   2.4342  29.358  5.5341 30.000  5.3732 -0.6415520     7.713517 
1 1 1 18 18 0  f 13.305  7.7689 1.8255   2.6947  1.8255   2.6947  1.8255   2.6947  13.305  7.7689 13.305  7.7689 0.000000       0.000000 
1 1 1 18 18 1  o 16.994  7.1678 3.3972   1.9269  3.3972   1.9269  3.3972   1.9269  16.994  7.1678 16.994  7.1678 0.000000       0.000000 
1 1 1 18 18 2  o 20.918  7.2391 4.7122   2.1404  4.7122   2.1404  4.7122   2.1404  20.918  7.2391 20.918  7.2391 0.000000       0.000000 
1 1 1 18 18 3  o 14.996  7.0000 2.7549   1.8342  2.7549   1.8342  2.7549   1.8342  14.996  7.0000 14.996  7.0000 0.000000       0.000000 
1 1 1 18 18 4  o 9.7003  6.1421 0.4661   2.0113  0.4661   2.0113  0.4661   2.0113  9.7003  6.1421 9.7003  6.1421 0.000000       0.000000 
1 1 1 18 18 5  o 14.520  7.4294 2.6629   2.1404  2.6629   2.1404  2.6629   2.1404  14.520  7.4294 14.520  7.4294 0.000000       0.000000 
1 1 1 18 18 6  o 30.344  5.2600 8.1171   2.2768  8.1171   2.2768  8.1171   2.2768  30.344  5.2600 30.344  5.2600 0.000000       0.000000 
1 1 1 18 18 7  o 23.024  7.1836 5.4886   2.2735  5.4886   2.2735  5.4886   2.2735  23.024  7.1836 23.024  7.1836 0.000000       0.000000 
1 1 1 18 18 8  o 20.002  7.8917 4.6299   2.3786  4.6299   2.3786  4.6299   2.3786  20.002  7.8917 20.002  7.8917 0.000000       0.000000 
1 1 1 18 18 9  o 21.443  7.5043 5.0122   2.2843  5.0122   2.2843  5.0122   2.2843  21.443  7.5043 21.443  7.5043 0.000000       0.000000 
1 1 1 18 18 10 o 13.180  7.6499 2.0249   2.5888  2.0249   2.5888  2.0249   2.5888  13.180  7.6499 13.180  7.6499 0.000000       0.000000 
1 1 1 18 18 11 o 9.5927  6.3694 -0.3586  2.5467  -0.3586  2.5467  -0.3586  2.5467  9.5927  6.3694 9.5927  6.3694 0.000000       0.000000 
1 1 1 18 18 12 o 12.769  7.3103 1.9366   2.3139  1.9366   2.3139  1.9366   2.3139  12.769  7.3103 12.769  7.3103 0.000000       0.000000 
1 1 1 18 18 13 o 41.679  3.6352 14.253   2.3336  14.253   2.3336  14.253   2.3336  41.679  3.6352 41.679  3.6352 0.000000       0.000000 
1 1 1 18 18 14 o 12.205  6.8976 1.7834   2.0251  1.7834   2.0251  1.7834   2.0251  12.205  6.8976 12.205  6.8976 0.000000       0.000000 
1 1 1 18 18 15 o 5.6838  4.0754 -2.6214  1.7109  -2.6214  1.7109  -2.6214  1.7109  5.6838  4.0754 5.6838  4.0754 0.000000       0.000000 
1 1 1 18 18 16 o 44.825  3.1956 16.305   2.2193  16.305   2.2193  16.305   2.2193  44.825  3.1956 44.825  3.1956 0.000000       0.000000 
1 1 1 18 18 17 o 26.697  5.2016 6.4302   1.9401  6.4302   1.9401  6.4302   1.9401  26.697  5.2016 26.697  5.2016 0.000000       0.000000 
1 1 1 18 18 18 o 27.436  5.1574 6.7556   1.9890  6.7556   1.9890  6.7556   1.9890  27.436  5.1574 27.436  5.1574 0.000000       0.000000 
1 1 1 18 18 19 o 12.126  6.9836 1.7451   2.1315  1.7451   2.1315  1.7451   2.1315  12.126  6.9836 12.126  6.9836 0.000000       0.000000 
1 1 1 18 18 20 o 21.434  7.0506 4.9140   2.1026  4.9140   2.1026  4.9140   2.1026  21.434  7.0506 21.434  7.0506 0.000000       0.000000 
1 1 1 18 18 21 o 57.699  3.0105 26.838   2.7062  26.838   2.7062  26.838   2.7062  57.699  3.0105 57.699  3.0105 0.000000       0.000000 
1 1 1 18 18 22 o 6.4523  4.6084 -2.8681  2.1030  -2.8681  2.1030  -2.8681  2.1030  6.4523  4.6084 6.4523  4.6084 0.000000       0.000000 
1 1 1 18 18 23 o 20.320  7.2023 4.5919   2.0879  4.5919   2.0879  4.5919   2.0879  20.320  7.2023 20.320  7.2023 0.000000       0.000000 
1 1 1 18 18 24 o 10.870  6.6475 1.1291   2.1574  1.1291   2.1574  1.1291   2.1574  10.870  6.6475 10.870  6.6475 0.000000       0.000000 
1 1 1 18 18 25 o 29.595  5.3430 7.9014   2.2389  7.9014   2.2389  7.9014   2.2389  29.595  5.3430 29.595  5.3430 0.000000       0.000000 
1 1 1 18 18 26 o 7.8838  5.3599 -0.8107  2.0123  -0.8107  2.0123  -0.8107  2.0123  7.8838  5.3599 7.8838  5.3599 0.000000       0.000000 
1 1 1 18 18 27 o 14.525  7.5085 2.8160   2.1994  2.8160   2.1994  2.8160   2.1994  14.525  7.5085 14.525  7.5085 0.000000       0.000000 
1 1 1 18 18 28 o 10.062  6.3390 0.7225   2.1120  0.7225   2.1120  0.7225   2.1120  10.062  6.3390 10.062  6.3390 0.000000       0.000000 
1 1 1 18 18 29 o 36.018  4.3857 11.107   2.3784  11.107   2.3784  11.107   2.3784  36.018  4.3857 36.018  4.3857 0.000000       0.000000 
1 1 1 18 18 30 o 9.2688  6.0274 0.2103   2.1064  0.2103   2.1064  0.2103   2.1064  9.2688  6.0274 9.2688  6.0274 0.000000       0.000000 
1 1 1 18 18 31 o 9.0529  5.9828 -0.0879  2.2050  -0.0879  2.2050  -0.0879  2.2050  9.0529  5.9828 9.0529  5.9828 0.000000       0.000000 
1 1 1 18 18 32 o 53.949  3.2923 23.780   2.7606  23.780   2.7606  23.780   2.7606  53.949  3.2923 53.949  3.2923 0.000000       0.000000 
1 1 1 18 18 33 o 13.428  7.3237 2.4381   2.1888  2.4381   2.1888  2.4381   2.1888  13.428  7.3237 13.428  7.3237 0.000000       0.000000 
1 1 1 18 18 34 o 30.343  5.3434 8.3823   2.3063  8.3823   2.3063  8.3823   2.3063  30.343  5.3434 30.343  5.3434 0.000000       0.000000 
1 1 1 18 18 35 f 12.001  7.0483 1.8102   2.2403  1.8102   2.2403  1.8102   2.2403  12.001  7.0483 12.001  7.0483 0.000000       0.000000 
1 1 1 18 18 36 f 35.199  5.2113 11.106   2.6904  11.106   2.6904  11.106   2.6904  35.199  5.2113 35.199  5.2113 0.000000       0.000000 
1 1 1 18 18 37 o 27.457  6.1682 7.3310   2.3174  7.3310   2.3174  7.3310   2.3174  27.457  6.1682 27.457  6.1682 0.000000       0.000000 
1 1 1 18 18 38 o 44.469  4.3209 16.956   2.9469  16.956   2.9469  16.956   2.9469  44.469  4.3209 44.469  4.3209 0.000000       0.000000 
1 1 1 18 18 39 o 14.054  7.3871 2.8131   2.1559  2.8131   2.1559  2.8131   2.1559  14.054  7.3871 14.054  7.3871 0.000000       0.000000 
1 1 1 18 18 40 o 25.342  6.0601 6.3896   2.0887  6.3896   2.0887  6.3896   2.0887  25.342  6.0601 25.342  6.0601 0.000000       0.000000 
1 1 1 18 18 41 o 6.0749  4.3563 -2.6823  1.9571  -2.6823  1.9571  -2.6823  1.9571  6.0749  4.3563 6.0749  4.3563 0.000000       0.000000 
1 1 1 19 0  0  f 275.252 3.8039 594.431  16.407  594.431  16.407  594.431  16.407  275.252 3.8039 275.252 3.8039 0.000000       0.000000 
1 1 1 19 0  1  o 95.956  2.1390 72.297   3.2140  72.297   3.2140  72.297   3.2140  95.956  2.1390 95.956  2.1390 0.000000       0.000000 
1 1 1 19 0  2  o 18.259  6.4243 3.4343   1.6687  3.4343   1.6687  3.4343   1.6687  18.259  6.4243 18.259  6.4243 0.000000       0.000000 
1 1 1 19 0  3  o 202.694 2.2302 322.242  7.0846  322.242  7.0846  322.242  7.0846  202.694 2.2302 202.694 2.2302 0.000000       0.000000 
1 1 1 19 0  4  o 155.153 2.0172 188.826  4.9046  188.826  4.9046  188.826  4.9046  155.153 2.0172 155.153 2.0172 0.000000       0.000000 
1 1 1 19 0  5  o 14.642  6.7939 2.4580   1.7267  2.4580   1.7267  2.4580   1.7267  14.642  6.7939 14.642  6.7939 0.000000       0.000000 
1 1 1 19 0  6  o 7.7645  5.1466 -0.4433  1.6514  -0.4433  1.6514  -0.4433  1.6514  7.7645  5.1466 7.7645  5.1466 0.000000       0.000000 
1 1 1 19 0  7  o 70.298  2.1657 38.856   2.3815  38.856   2.3815  38.856   2.3815  70.298  2.1657 70.298  2.1657 0.000000       0.000000 
1 1 1 19 0  8  o 77.775  2.0827 47.527   2.5353  47.527   2.5353  47.527   2.5353  77.775  2.0827 77.775  2.0827 0.000000       0.000000 
1 1 1 19 0  9  o 23.888  5.3880 5.1039   1.7604  5.1039   1.7604  5.1039   1.7604  23.888  5.3880 23.888  5.3880 0.000000       0.000000 
1 1 1 19 0  10 o 232.884 2.4157 425.390  8.8171  425.390  8.8171  425.390  8.8171  232.884 2.4157 232.884 2.4157 0.000000       0.000000 
1 1 1 19 0  11 o 185.230 2.1488 269.115  6.2378  269.115  6.2378  269.115  6.2378  185.230 2.1488 185.230 2.1488 0.000000       0.000000 
1 1 1 19 0  12 o 10.024  6.1393 0.6449   1.8466  0.6449   1.8466  0.6449   1.8466  10.024  6.1393 10.024  6.1393 0.000000       0.000000 
1 1 1 19 0  13 o 244.043 2.4885 467.146  9.5181  467.146  9.5181  467.146  9.5181  244.043 2.4885 244.043 2.4885 0.000000       0.000000 
1 1 1 19 0  14 o 342.946 3.1762 922.693  17.073  922.693  17.073  922.693  17.073  342.946 3.1762 342.946 3.1762 0.000000       0.000000 
1 1 1 19 0  15 o 14.420  6.7483 2.3898   1.7052  2.3898   1.7052  2.3898   1.7052  14.420  6.7483 14.420  6.7483 0.000000       0.000000 
1 1 1 19 0  16 o 92.849  2.0098 67.686   2.9223  67.686   2.9223  67.686   2.9223  92.849  2.0098 92.849  2.0098 0.000000       0.000000 
1 1 1 19 0  17 o 259.537 2.5928 528.379  10.547  528.379  10.547  528.379  10.547  259.537 2.5928 259.537 2.5928 0.000000       0.000000 
1 1 1 19 0  18 o 38.999  3.2129 12.171   1.9336  12.171   1.9336  12.171   1.9336  38.999  3.2129 38.999  3.2129 0.000000       0.000000 
1 1 1 19 0  19 o 323.370 3.0396 820.389  15.406  820.389  15.406  820.389  15.406  323.370 3.0396 323.370 3.0396 0.000000       0.000000 
1 1 1 19 0  20 o 9.1899  5.8690 0.1209   1.8835  0.1209   1.8835  0.1209   1.8835  9.1899  5.8690 9.1899  5.8690 0.000000       0.000000 
1 1 1 19 0  21 o 168.944 2.0903 223.899  5.5341  223.899  5.5341  223.899  5.5341  168.944 2.0903 168.944 2.0903 0.000000       0.000000 
1 1 1 19 0  22 o 85.641  2.0373 57.606   2.7317  57.606   2.7317  57.606   2.7317  85.641  2.0373 85.641  2.0373 0.000000       0.000000 
1 1 1 19 0  23 o 259.709 2.5950 529.137  10.563  529.137  10.563  529.137  10.563  259.709 2.5950 259.709 2.5950 0.000000       0.000000 
1 1 1 19 0  24 o 219.738 2.3407 378.779  8.0610  378.779  8.0610  378.779  8.0610  219.738 2.3407 219.738 2.3407 0.000000       0.000000 
1 1 1 19 0  25 o 47.861  2.7448 18.144   2.0439  18.144   2.0439  18.144   2.0439  47.861  2.7448 47.861  2.7448 0.000000       0.000000 
1 1 1 19 0  26 o 42.488  3.0806 14.384   2.0271  14.384   2.0271  14.384   2.0271  42.488  3.0806 42.488  3.0806 0.000000       0.000000 
1 1 1 19 0  27 o 79.683  2.2615 49.915   2.8198  49.915   2.8198  49.915   2.8198  79.683  2.2615 79.683  2.2615 0.000000       0.000000 
1 1 1 19 0  28 o 174.392 2.2910 238.643  6.2610  238.643  6.2610  238.643  6.2610  174.392 2.2910 174.392 2.2910 0.000000       0.000000 
1 1 1 19 0  29 o 198.444 2.4506 309.031  7.6209  309.031  7.6209  309.031  7.6209  198.444 2.4506 198.444 2.4506 0.000000       0.000000 
1 1 1 19 0  30 o 63.436  2.6230 31.731   2.5984  31.731   2.5984  31.731   2.5984  63.436  2.6230 63.436  2.6230 0.000000       0.000000 
1 1 1 19 0  31 o 7.7712  5.1493 -0.4304  1.6509  -0.4304  1.6509  -0.4304  1.6509  7.7712  5.1493 7.7712  5.1493 0.000000       0.000000 
1 1 1 19 0  32 o 96.401  2.0602 72.990   3.1102  72.990   3.1102  72.990   3.1102  96.401  2.0602 96.401  2.0602 0.000000       0.000000 
1 1 1 19 0  33 o 185.640 2.5684 270.577  7.4714  270.577  7.4714  270.577  7.4714  185.640 2.5684 185.640 2.5684 0.000000       0.000000 
1 1 1 19 0  34 o 7.3559  4.8872 -0.4297  1.5030  -0.4297  1.5030  -0.4297  1.5030  7.3559  4.8872 7.3559  4.8872 0.000000       0.000000 
1 1 1 19 0  35 o 37.661  2.9844 11.345   1.7365  11.345   1.7365  11.345   1.7365  37.661  2.9844 37.661  2.9844 0.000000       0.000000 
1 1 1 19 0  36 o 33.273  3.2447 8.9422   1.6555  8.9422   1.6555  8.9422   1.6555  33.273  3.2447 33.273  3.2447 0.000000       0.000000 
1 1 1 19 0  37 o 65.263  2.2831 33.551   2.3294  33.551   2.3294  33.551   2.3294  65.263  2.2831 65.263  2.2831 0.000000       0.000000 
1 1 1 19 0  38 o 15.394  6.6650 2.6773   1.6589  2.6773   1.6589  2.6773   1.6589  15.394  6.6650 15.394  6.6650 0.000000       0.000000 
1 1 1 19 0  39 o 60.725  2.3452 29.079   2.2249  29.079   2.2249  29.079   2.2249  60.725  2.3452 60.725  2.3452 0.000000       0.000000 
1 1 1 19 0  40 o 34.587  4.0180 9.7956   2.1019  9.7956   2.1019  9.7956   2.1019  34.587  4.0180 34.587  4.0180 0.000000       0.000000 
1 1 1 19 0  41 o 159.788 2.5333 200.724  6.3423  200.724  6.3423  200.724  6.3423  159.788 2.5333 159.788 2.5333 0.000000       0.000000 
1 1 1 19 0  42 o 98.471  2.1560 76.246   3.3246  76.246   3.3246  76.246   3.3246  98.471  2.1560 98.471  2.1560 0.000000       0.000000 
1 1 1 19 0  43 o 14.684  6.5042 2.4658   1.5785  2.4658   1.5785  2.4658   1.5785  14.684  6.5042 14.684  6.5042 0.000000       0.000000 
1 1 1 19 0  44 o 80.008  2.0648 50.367   2.5859  50.367   2.5859  50.367   2.5859  80.008  2.0648 80.008  2.0648 0.000000       0.000000 
1 1 1 19 0  45 f 48.770  2.2325 18.803   1.6987  18.803   1.6987  18.803   1.6987  48.770  2.2325 48.770  2.2325 0.000000       0.000000 
1 1 1 19 0  46 o 25.069  4.0266 5.3254   1.4600  5.3254   1.4600  5.3254   1.4600  25.069  4.0266 25.069  4.0266 0.000000       0.000000 
1 1 1 19 0  47 o 54.557  2.1253 23.491   1.8115  23.491   1.8115  23.491   1.8115  54.557  2.1253 54.557  2.1253 0.000000       0.000000 
1 1 1 19 0  48 o 118.832 1.9540 111.010  3.6378  111.010  3.6378  111.010  3.6378  118.832 1.9540 118.832 1.9540 0.000000       0.000000 
1 1 1 19 0  49 o 8.1670  5.1111 0.3147   1.3484  0.3147   1.3484  0.3147   1.3484  8.1670  5.1111 8.1670  5.1111 0.000000       0.000000 
1 1 1 19 0  50 o 56.346  2.0576 25.050   1.8120  25.050   1.8120  25.050   1.8120  56.346  2.0576 56.346  2.0576 0.000000       0.000000 
1 1 1 19 0  51 o 65.922  1.9539 34.239   2.0153  34.239   2.0153  34.239   2.0153  65.922  1.9539 65.922  1.9539 0.000000       0.000000 
1 1 1 19 0  52 o 54.291  2.1113 23.280   1.7908  23.280   1.7908  23.280   1.7908  54.291  2.1113 54.291  2.1113 0.000000       0.000000 
1 1 1 19 0  53 o 14.596  6.0262 2.3874   1.3678  2.3874   1.3678  2.3874   1.3678  14.596  6.0262 14.596  6.0262 0.000000       0.000000 
1 1 1 19 0  54 o 6.4203  4.4211 -1.0482  1.4696  -1.0482  1.4696  -1.0482  1.4696  6.4203  4.4211 6.4203  4.4211 0.000000       0.000000 
1 1 1 19 0  55 o 16.538  6.2687 2.9671   1.5256  2.9671   1.5256  2.9671   1.5256  16.538  6.2687 16.538  6.2687 0.000000       0.000000 
1 1 1 19 0  56 o 15.863  6.5470 2.8462   1.6146  2.8462   1.6146  2.8462   1.6146  15.863  6.5470 15.863  6.5470 0.000000       0.000000 
1 1 1 19 0  57 o 13.299  6.5166 2.1262   1.6119  2.1262   1.6119  2.1262   1.6119  13.299  6.5166 13.299  6.5166 0.000000       0.000000 
1 1 1 19 0  58 o 41.102  3.1819 13.629   2.0219  13.629   2.0219  13.629   2.0219  41.102  3.1819 41.102  3.1819 0.000000       0.000000 
1 1 1 19 0  59 o 44.778  3.0365 16.112   2.1090  16.112   2.1090  16.112   2.1090  44.778  3.0365 44.778  3.0365 0.000000       0.000000 
1 1 1 19 0  60 o 9.1953  5.7627 0.4741   1.7202  0.4741   1.7202  0.4741   1.7202  9.1953  5.7627 9.1953  5.7627 0.000000       0.000000 
1 1 1 19 0  61 o 28.110  4.7067 6.8683   1.8993  6.8683   1.8993  6.8683   1.8993  28.110  4.7067 28.110  4.7067 0.000000       0.000000 
1 1 1 19 0  62 o 22.036  5.9056 4.7056   1.7629  4.7056   1.7629  4.7056   1.7629  22.036  5.9056 22.036  5.9056 0.000000       0.000000 
1 1 1 19 0  63 o 14.544  6.4527 2.5338   1.5536  2.5338   1.5536  2.5338   1.5536  14.544  6.4527 14.544  6.4527 0.000000       0.000000 
1 1 1 19 0  64 o 21.275  5.6371 4.3885   1.6244  4.3885   1.6244  4.3885   1.6244  21.275  5.6371 21.275  5.6371 0.000000       0.000000 
1 1 1 19 0  65 o 19.536  5.9224 3.8896   1.5828  3.8896   1.5828  3.8896   1.5828  19.536  5.9224 19.536  5.9224 0.000000       0.000000 
1 1 1 19 0  66 o 45.471  2.6840 16.653   1.8980  16.653   1.8980  16.653   1.8980  45.471  2.6840 45.471  2.6840 0.000000       0.000000 
1 1 1 19 0  67 o 19.404  6.0308 3.9042   1.6072  3.9042   1.6072  3.9042   1.6072  19.404  6.0308 19.404  6.0308 0.000000       0.000000 
1 1 1 19 0  68 o 9.2740  5.6777 0.7653   1.5779  0.7653   1.5779  0.7653   1.5779  9.2740  5.6777 9.2740  5.6777 0.000000       0.000000 
1 1 1 19 0  69 o 21.543  5.5221 4.5188   1.6121  4.5188   1.6121  4.5188   1.6121  21.543  5.5221 21.543  5.5221 0.000000       0.000000 
1 1 1 19 0  70 o 25.924  4.4341 5.9688   1.6437  5.9688   1.6437  5.9688   1.6437  25.924  4.4341 25.924  4.4341 0.000000       0.000000 
1 1 1 19 0  71 o 14.113  7.1301 2.6871   1.9570  2.6871   1.9570  2.6871   1.9570  14.113  7.1301 14.113  7.1301 0.000000       0.000000 
1 1 1 19 0  72 o 35.110  5.4394 11.204   2.7799  11.204   2.7799  11.204   2.7799  35.110  5.4394 35.110  5.4394 0.000000       0.000000 
1 1 1 19 0  73 o 34.540  5.8624 11.165   2.8997  11.165   2.8997  11.165   2.8997  34.540  5.8624 34.540  5.8624 0.000000       0.000000 
1 1 1 19 0  74 o 35.436  5.3394 11.548   2.7672  11.548   2.7672  11.548   2.7672  35.436  5.3394 35.436  5.3394 0.000000       0.000000 
1 1 1 19 1  0  o 24.643  5.3495 5.3867   1.8116  5.3867   1.8116  5.3867   1.8116  24.643  5.3495 24.643  5.3495 0.000000       0.000000 
1 1 1 19 1  1  o 121.866 1.3895 116.438  2.6545  113.002  3.7139  120.027  3.7954  120.038 1.9736 123.714 1.9570 -3.675468      2.779376 
1 1 1 19 1  2  o 322.003 2.1433 813.215  10.819  831.422  15.599  796.337  15.019  325.486 3.0571 318.551 3.0075 6.935120       4.288493 
1 1 1 19 1  3  o 302.229 2.0450 716.369  9.6889  744.075  14.163  691.994  13.284  307.929 2.9339 296.966 2.8534 10.96280       4.092614 
1 1 1 19 1  4  o 80.224  1.4771 50.461   1.8577  50.406   2.6465  50.514   2.6082  80.168  2.1058 80.255  2.0731 -0.8696747E-01 2.955006 
1 1 1 19 1  5  o 53.457  1.8101 22.409   1.5169  22.857   2.1567  21.971   2.1339  53.978  2.5487 52.920  2.5722 1.057903       3.621042 
1 1 1 19 1  6  o 193.243 1.6250 292.810  4.9229  292.848  7.3148  292.779  6.6559  193.214 2.4150 193.205 2.1975 0.9887695E-02  3.265154 
1 1 1 19 1  7  o 75.571  1.5167 44.778   1.7968  44.236   2.5158  45.344   2.5672  75.100  2.1369 76.034  2.1538 -0.9343185     3.033980 
1 1 1 19 1  8  o 87.251  1.5230 59.690   2.0832  57.911   2.8037  61.882   3.1126  85.929  2.0813 88.822  2.2354 -2.892639      3.054284 
1 1 1 19 1  9  o 103.454 1.3983 83.914   2.2678  87.859   3.2858  80.325   3.1339  105.843 1.9803 101.204 1.9753 4.639595       2.797016 
1 1 1 19 1  10 o 254.244 1.8167 506.903  7.2407  493.755  10.014  521.309  10.482  250.869 2.5463 257.769 2.5939 -6.900299      3.634804 
1 1 1 19 1  11 o 251.660 1.8794 496.673  7.4145  501.282  11.059  492.910  9.9933  252.749 2.7911 250.653 2.5432 2.096039       3.775969 
1 1 1 19 1  12 o 235.086 1.7279 433.376  6.3680  434.902  9.0275  431.865  8.9841  235.449 2.4458 234.626 2.4426 0.8233337      3.456577 
1 1 1 19 1  13 o 86.729  1.4528 58.977   1.9753  58.304   2.7779  59.666   2.8094  86.219  2.0552 87.220  2.0546 -1.001587      2.906131 
1 1 1 19 1  14 f 38.768  2.2509 11.829   1.3621  11.637   1.9411  12.016   1.9118  38.362  3.2585 38.997  3.1542 -0.6344414     4.535075 
1 1 1 19 1  15 o 159.997 1.4457 200.718  3.6261  200.957  5.1142  200.476  5.1420  160.067 2.0381 159.875 2.0516 0.1922607      2.891870 
1 1 1 19 1  16 o 100.013 1.4038 78.427   2.2010  80.073   3.1231  76.804   3.1023  101.041 1.9717 98.957  1.9998 2.084328       2.808313 
1 1 1 19 1  17 o 123.482 1.3929 119.554  2.6963  119.160  3.7989  119.954  3.8276  123.259 1.9660 123.669 1.9743 -0.4097290     2.786219 
1 1 1 19 1  18 o 231.447 1.7113 420.085  6.2093  421.738  8.8016  418.446  8.7609  231.846 2.4216 230.940 2.4199 0.9066162      3.423487 
1 1 1 19 1  19 o 215.363 1.6482 363.718  5.5645  364.904  7.8861  362.543  7.8527  215.663 2.3326 214.965 2.3302 0.6986389      3.297083 
1 1 1 19 1  20 o 55.681  1.7678 24.315   1.5431  22.460   2.1332  26.352   2.2348  53.499  2.5435 57.951  2.4599 -4.452232      3.538464 
1 1 1 19 1  21 o 145.537 1.6396 166.106  3.7408  162.947  5.5423  168.749  5.0699  144.103 2.4534 146.662 2.2051 -2.558929      3.298712 
1 1 1 19 1  22 f 245.027 2.0510 470.978  7.8783  455.039  10.245  494.041  12.324  240.773 2.7143 250.822 3.1342 -10.04803      4.146153 
1 1 1 19 1  23 o 217.124 1.8100 369.762  6.1608  370.736  8.7233  368.792  8.7022  217.339 2.5603 216.768 2.5608 0.5708313      3.621179 
1 1 1 19 1  24 o 145.536 1.6207 166.113  3.6976  166.498  4.9993  165.649  5.4942  145.672 2.1892 145.285 2.4123 0.3873291      3.257542 
1 1 1 19 1  25 o 99.252  1.6448 77.260   2.5591  76.251   3.5794  78.316   3.6603  98.573  2.3163 99.897  2.3373 -1.324341      3.290624 
1 1 1 19 1  26 o 98.229  1.5721 75.675   2.4208  73.478   3.2317  78.485   3.6541  96.769  2.1303 100.002 2.3309 -3.232811      3.157756 
1 1 1 19 1  27 o 98.812  1.4871 76.574   2.3036  75.206   3.2453  77.964   3.2703  97.898  2.1146 99.678  2.0929 -1.779755      2.975180 
1 1 1 19 1  28 f 155.220 1.5454 188.970  3.7604  182.812  5.1993  195.724  5.4453  152.623 2.1730 157.918 2.1996 -5.295258      3.091960 
1 1 1 19 1  29 o 11.698  4.4984 0.7116   1.1613  0.7437   1.6534  0.6803   1.6314  13.352  5.2980 13.148  5.2482 0.2038536      7.457375 
1 1 1 19 1  30 o 112.966 1.4525 100.093  2.5722  100.701  3.6268  99.478   3.6487  113.272 2.0424 112.581 2.0674 0.6913376      2.906099 
1 1 1 19 1  31 o 82.154  1.4486 52.941   1.8657  50.393   2.4788  56.270   2.8335  80.128  1.9734 84.663  2.1349 -4.534569      2.907246 
1 1 1 19 1  32 o 49.146  1.7241 18.953   1.3283  17.707   1.8337  20.328   1.9269  47.412  2.4756 50.871  2.4162 -3.459194      3.459281 
1 1 1 19 1  33 o 153.761 1.5504 185.496  3.7373  186.461  5.2870  184.533  5.2836  154.087 2.1887 153.287 2.1988 0.8000183      3.102415 
1 1 1 19 1  34 o 110.801 1.3559 96.308   2.3552  101.657  3.4028  91.391   3.2630  113.792 1.9076 107.891 1.9292 5.900620       2.713021 
1 1 1 19 1  35 o 127.139 1.3662 126.813  2.7229  123.490  3.7789  130.402  3.9270  125.407 1.9222 128.867 1.9439 -3.459358      2.733741 
1 1 1 19 1  36 o 51.622  1.6849 20.918   1.3635  20.640   1.9294  21.196   1.9273  51.239  2.4019 51.926  2.3675 -0.6873169     3.372619 
1 1 1 19 1  37 o 129.661 1.3699 131.916  2.7845  130.685  3.9058  133.188  3.9709  128.988 1.9315 130.215 1.9452 -1.227539      2.741303 
1 1 1 19 1  38 o 28.248  2.6263 6.3340   1.1497  5.2723   1.6430  7.3525   1.6093  25.462  4.2672 30.328  3.4461 -4.865664      5.484955 
1 1 1 19 1  39 o 20.295  3.3866 3.3383   1.0395  3.7625   1.5240  2.9692   1.4215  21.353  4.6818 18.959  4.7829 2.394186       6.692979 
1 1 1 19 1  40 o 46.841  1.6973 17.232   1.2464  17.040   1.8310  17.398   1.7013  46.456  2.5237 47.026  2.3078 -0.5706635     3.419771 
1 1 1 19 1  41 o 127.834 1.3775 128.268  2.7604  122.041  4.1240  133.323  3.7155  124.575 2.1117 130.260 1.8195 -5.685616      2.787472 
1 1 1 19 1  42 o 94.294  1.4297 69.805   2.1133  73.620   3.1443  66.660   2.8542  96.752  2.0731 92.079  1.9773 4.672859       2.864815 
1 1 1 19 1  43 o 100.915 1.4953 79.972   2.3655  83.262   3.3424  76.670   3.3483  102.882 2.0724 98.710  2.1638 4.172195       2.996095 
1 1 1 19 1  44 o 75.987  1.7063 45.374   2.0326  48.141   2.6606  41.496   3.1501  78.208  2.1701 72.516  2.7710 5.691986       3.519634 
1 1 1 19 1  45 o 124.856 1.6342 122.495  3.1986  121.510  4.1836  123.880  4.9624  124.242 2.1480 125.346 2.5254 -1.103630      3.315346 
1 1 1 19 1  46 o 65.587  1.8051 33.825   1.8560  34.160   2.4452  33.370   2.8509  65.835  2.3692 65.001  2.7978 0.8346634      3.666150 
1 1 1 19 1  47 o 16.192  4.8027 2.1362   1.3068  1.5942   1.9915  2.5460   1.7317  15.881  5.9392 17.788  5.5796 -1.907198      8.148995 
1 1 1 19 1  48 o 94.961  1.4623 70.845   2.1769  71.610   3.3085  70.261   2.8909  95.332  2.2138 94.485  1.9517 0.8471375      2.951284 
1 1 1 19 1  49 o 41.170  1.8984 13.339   1.2253  14.336   1.7308  12.337   1.7348  42.527  2.6087 39.398  2.8276 3.128593       3.847175 
1 1 1 19 1  50 o 56.207  1.6101 24.839   1.4187  24.115   1.9843  25.597   2.0292  55.295  2.2890 56.972  2.2721 -1.676689      3.225209 
1 1 1 19 1  51 o 52.522  1.6840 21.699   1.3865  21.895   2.1398  21.557   1.8204  52.632  2.5934 52.281  2.2211 0.3505898      3.414544 
1 1 1 19 1  52 o 21.166  3.3977 3.6506   1.0893  2.8497   1.6594  4.2570   1.4439  18.507  5.3909 22.698  4.2128 -4.190931      6.841793 
1 1 1 19 1  53 o 31.799  2.2252 8.0198   1.1023  8.3973   1.6441  7.7116   1.4856  32.325  3.2903 31.008  3.0975 1.316477       4.518970 
1 1 1 19 1  54 o 66.906  1.5096 35.209   1.5834  33.491   2.4633  36.420   2.0669  65.078  2.4145 67.970  1.9398 -2.892006      3.097187 
1 1 1 19 1  55 o 59.963  1.5627 28.296   1.4690  26.907   2.2526  29.323   1.9377  58.302  2.4646 60.959  2.0277 -2.657795      3.191522 
1 1 1 19 1  56 o 37.436  2.1543 11.111   1.2590  9.6172   1.8718  12.345   1.7013  34.488  3.5111 39.325  2.7776 -4.836731      4.476897 
1 1 1 19 1  57 o 12.334  4.4409 1.0645   1.0964  -0.7244  1.8398  2.0498   1.3654  11.175  5.0238 15.814  4.9535 -4.638912      7.055181 
1 1 1 19 1  58 o 36.152  2.2509 10.391   1.2694  12.703   1.9046  8.5425   1.7026  39.757  3.0800 32.464  3.3958 7.293064       4.584545 
1 1 1 19 1  59 o 61.401  1.6905 29.741   1.6272  28.728   2.4371  30.555   2.1857  60.090  2.5871 62.085  2.2457 -1.995087      3.425856 
1 1 1 19 1  60 f 16.557  4.5751 2.3305   1.2270  3.2536   1.6719  1.2529   1.8063  19.385  5.3340 14.400  5.5899 4.985591       7.726443 
1 1 1 19 1  61 o 20.362  4.0231 3.4949   1.2387  2.6011   1.6728  4.5799   1.8430  17.479  5.4842 22.941  5.2396 -5.462334      7.584837 
1 1 1 19 1  62 o 30.220  2.6451 7.3561   1.2405  6.7294   1.7832  7.9439   1.7269  28.354  4.1333 31.066  3.6134 -2.712244      5.490039 
1 1 1 19 1  63 o 34.502  2.3414 9.5332   1.2589  11.297   1.8416  7.9859   1.7250  37.250  3.1842 31.107  3.6040 6.142628       4.809107 
1 1 1 19 1  64 o 28.885  2.6284 6.7433   1.1772  8.5899   1.8337  5.4488   1.5353  32.187  3.7015 25.439  3.9803 6.747267       5.435437 
1 1 1 19 1  65 o 31.580  2.3561 8.0137   1.1580  7.3761   1.5854  8.7430   1.6955  29.874  3.4486 32.591  3.3671 -2.716307      4.819798 
1 1 1 19 1  66 o 14.267  4.3073 1.7355   1.0442  0.9513   1.4123  2.6814   1.5510  12.566  4.9246 17.414  5.2476 -4.848217      7.196492 
1 1 1 19 1  67 f 10.423  4.1873 0.5179   1.0458  0.9818   1.4492  0.0139   1.5106  12.702  4.9853 10.923  4.7445 1.778954       6.882150 
1 1 1 19 1  68 o 27.286  2.7194 6.0653   1.1477  5.7737   1.5729  6.3972   1.6784  26.075  3.9736 27.447  4.0199 -1.372114      5.652343 
1 1 1 19 1  69 o 21.951  3.3293 4.0300   1.1097  2.5548   1.5228  5.7006   1.6206  16.936  5.2192 25.787  4.1496 -8.850412      6.667765 
1 1 1 19 1  70 o 32.628  2.5262 8.6307   1.2821  8.0225   1.7112  9.4090   1.9358  30.935  3.5958 33.432  3.7587 -2.496855      5.201700 
1 1 1 19 1  71 o 31.952  2.9966 8.4104   1.4834  9.4766   2.0235  7.1716   2.1811  33.366  3.9449 28.231  5.1168 5.134609       6.460903 
1 1 1 19 1  72 o 34.067  3.7766 9.8620   1.9830  8.6501   2.8063  11.071   2.8024  30.056  6.1628 34.905  5.2870 -4.848171      8.119833 
1 1 1 19 1  73 o 7.8000  3.8596 -3.5052  1.7494  -6.5712  2.4250  -0.1782  2.5261  8.2062  4.1314 13.025  5.8681 -4.818502      7.176586 
1 1 1 19 2  0  f 171.877 2.1185 231.730  5.7064  231.730  5.7064  231.730  5.7064  171.877 2.1185 171.877 2.1185 0.000000       0.000000 
1 1 1 19 2  1  o 63.102  1.6506 31.224   1.6328  33.642   2.3445  28.945   2.2754  65.488  2.2837 60.743  2.3895 4.745171       3.305305 
1 1 1 19 2  2  o 104.552 1.4233 85.707   2.3328  82.738   3.2416  88.895   3.3596  102.710 2.0133 106.463 2.0129 -3.753273      2.846952 
1 1 1 19 2  3  o 208.217 1.6255 339.958  5.3057  335.877  7.4178  344.233  7.5921  206.924 2.2867 209.480 2.3119 -2.556244      3.251737 
1 1 1 19 2  4  o 129.856 1.4095 132.213  2.8693  134.901  4.0949  129.620  4.0218  131.150 1.9917 128.557 1.9956 2.593063       2.819412 
1 1 1 19 2  5  o 225.366 1.6907 398.276  5.9731  396.907  8.4175  399.664  8.4773  224.931 2.3872 225.710 2.3958 -0.7789764     3.382083 
1 1 1 19 2  6  o 204.175 1.6105 326.886  5.1550  329.421  7.3491  324.431  7.2327  204.924 2.2877 203.368 2.2686 1.556580       3.221814 
1 1 1 19 2  7  o 87.768  1.4718 60.400   2.0250  61.264   2.9087  59.586   2.8209  88.379  2.0994 87.161  2.0645 1.217751       2.944408 
1 1 1 19 2  8  o 136.735 1.4924 146.599  3.1991  142.299  4.6616  150.427  4.3982  134.687 2.2078 138.489 2.0259 -3.801285      2.996398 
1 1 1 19 2  9  o 159.164 1.4607 198.636  3.6448  194.503  5.0684  203.064  5.2452  157.474 2.0531 160.901 2.0795 -3.427063      2.922207 
1 1 1 19 2  10 f 98.401  1.4191 75.920   2.1891  79.056   3.1183  72.873   3.0740  100.397 1.9813 96.389  2.0343 4.007797       2.839683 
1 1 1 19 2  11 o 66.788  1.6760 34.979   1.7548  38.063   2.3953  31.407   2.5781  69.658  2.1934 63.266  2.5994 6.392014       3.401166 
1 1 1 19 2  12 o 86.009  1.4677 58.005   1.9790  58.480   2.8067  57.536   2.7909  86.346  2.0735 85.645  2.0787 0.7004776      2.936000 
1 1 1 19 2  13 o 198.369 1.5859 308.568  4.9317  303.897  6.8851  313.489  7.0675  196.821 2.2314 199.902 2.2553 -3.080307      3.172623 
1 1 1 19 2  14 o 142.638 1.4222 159.529  3.1803  159.648  4.4875  159.410  4.5077  142.667 2.0064 142.559 2.0170 0.1072235      2.845016 
1 1 1 19 2  15 o 178.736 1.5173 250.508  4.2514  247.419  5.9638  253.699  6.0622  177.595 2.1421 179.835 2.1503 -2.239243      3.035205 
1 1 1 19 2  16 o 74.624  1.6495 43.671   1.9297  46.708   2.7802  40.848   2.6806  77.158  2.2985 72.153  2.3699 5.004379       3.301388 
1 1 1 19 2  17 o 148.760 1.5592 173.536  3.6362  172.265  5.0908  174.860  5.1957  148.182 2.1915 149.292 2.2200 -1.110138      3.119443 
1 1 1 19 2  18 o 124.075 1.5982 120.727  3.1087  117.180  4.5407  123.857  4.2649  122.203 2.3702 125.648 2.1652 -3.444427      3.210294 
1 1 1 19 2  19 o 118.885 1.7894 110.855  3.3350  116.607  5.1738  106.766  4.3622  121.882 2.7078 116.644 2.3855 5.237892       3.608749 
1 1 1 19 2  20 o 89.925  1.6852 63.422   2.3757  63.528   3.3350  63.312   3.3852  89.975  2.3644 89.821  2.4041 0.1548920      3.371934 
1 1 1 19 2  21 o 318.956 2.4557 798.442  12.279  808.196  16.671  786.874  18.153  320.729 3.3156 316.389 3.6600 4.339966       4.938483 
1 1 1 19 2  22 o 212.809 1.7842 355.230  5.9523  351.534  8.3339  359.079  8.5043  211.625 2.5120 213.881 2.5364 -2.256027      3.569800 
1 1 1 19 2  23 o 93.430  1.5221 68.460   2.2293  68.489   3.1522  68.430   3.1533  93.425  2.1523 93.385  2.1539 0.4033661E-01  3.044968 
1 1 1 19 2  24 o 89.849  1.4638 63.312   2.0618  62.861   3.0280  63.701   2.8152  89.501  2.1581 90.105  1.9930 -0.6041565     2.937626 
1 1 1 19 2  25 o 86.292  1.4177 58.398   1.9178  56.099   2.6633  60.874   2.7639  84.555  2.0093 88.079  2.0017 -3.524796      2.836180 
1 1 1 19 2  26 o 12.779  4.5568 1.0986   1.1518  0.2600   1.5857  2.0351   1.6757  12.144  5.0485 16.522  5.5146 -4.377409      7.476495 
1 1 1 19 2  27 o 51.533  1.7138 20.834   1.3845  21.557   1.9502  20.100   1.9659  52.398  2.3742 50.592  2.4786 1.805622       3.432263 
1 1 1 19 2  28 o 118.651 1.3668 110.416  2.5423  109.236  3.5427  111.669  3.6506  117.981 1.9154 119.284 1.9522 -1.303467      2.734956 
1 1 1 19 2  29 o 93.241  1.3832 68.191   2.0218  69.230   2.8597  67.152   2.8589  93.918  1.9423 92.496  1.9716 1.422073       2.767637 
1 1 1 19 2  30 o 111.432 1.4290 97.406   2.4963  97.911   3.6160  96.946   3.4505  111.674 2.0655 111.129 1.9806 0.5447693      2.861667 
1 1 1 19 2  31 o 148.482 1.4820 172.969  3.4496  171.545  4.6293  174.748  5.1727  147.815 1.9978 149.161 2.2121 -1.346008      2.980704 
1 1 1 19 2  32 o 39.772  2.1347 12.460   1.3261  14.166   1.8053  10.460   1.9544  42.354  2.7335 36.267  3.4802 6.087158       4.425386 
1 1 1 19 2  33 o 109.633 1.5005 94.314   2.5788  92.565   3.5560  96.256   3.7454  108.555 2.0896 110.690 2.1584 -2.135384      3.004158 
1 1 1 19 2  34 o 133.169 1.3924 139.145  2.9068  136.310  4.0018  142.312  4.2294  131.742 1.9377 134.602 2.0043 -2.859818      2.787808 
1 1 1 19 2  35 f 17.810  3.9563 2.6058   1.0759  2.8420   1.4985  2.3544   1.5457  18.598  5.0219 17.171  5.2528 1.426805       7.267142 
1 1 1 19 2  36 o 50.479  1.7279 20.010   1.3674  23.328   1.9596  16.860   1.9089  54.467  2.2950 46.206  2.6464 8.261185       3.502870 
1 1 1 19 2  37 o 37.471  2.1020 11.072   1.2298  11.230   1.7066  10.901   1.7737  37.636  2.9153 37.052  3.0815 0.5838737      4.242037 
1 1 1 19 2  38 o 29.715  2.5461 7.0026   1.1746  8.0053   1.6396  5.9454   1.6836  31.661  3.3545 27.091  4.0916 4.569836       5.290931 
1 1 1 19 2  39 o 89.979  1.3973 63.553   1.9709  63.489   2.9834  63.602   2.6255  89.851  2.1180 89.964  1.8616 -0.1136780     2.819845 
1 1 1 19 2  40 o 64.603  1.5309 32.773   1.5504  34.176   2.3534  31.698   2.0608  65.897  2.2781 63.485  2.0707 2.411991       3.078542 
1 1 1 19 2  41 o 85.317  1.3974 57.148   1.8690  59.176   2.8714  55.657   2.4619  86.728  2.1120 84.143  1.8664 2.584244       2.818467 
1 1 1 19 2  42 o 62.065  1.5269 30.256   1.4856  30.675   2.2838  29.948   1.9560  62.409  2.3343 61.702  2.0222 0.7069397      3.088408 
1 1 1 19 2  43 o 61.347  1.5446 29.565   1.4855  29.027   2.2376  29.988   1.9864  60.699  2.3515 61.733  2.0526 -1.034126      3.121329 
1 1 1 19 2  44 o 24.700  3.0916 4.8997   1.1709  4.9650   1.6853  4.8388   1.6280  24.553  4.5461 24.253  4.4455 0.2991276      6.358413 
1 1 1 19 2  45 o 74.953  1.5970 44.150   1.8764  47.168   3.5237  42.955   2.2169  77.240  2.9101 73.890  1.9139 3.350044       3.483015 
1 1 1 19 2  46 f 72.477  1.5146 41.275   1.7209  46.387   2.8899  38.467   2.1422  76.692  2.4037 69.911  1.9546 6.780838       3.098089 
1 1 1 19 2  47 o 67.819  1.7542 36.176   1.8651  35.927   2.6456  36.421   2.6297  67.467  2.5014 67.935  2.4692 -0.4679565     3.514809 
1 1 1 19 2  48 o 88.419  1.5360 61.449   2.1291  59.840   2.8692  63.420   3.1761  87.150  2.1001 89.683  2.2591 -2.532776      3.084473 
1 1 1 19 2  49 o 13.093  4.6220 1.2195   1.1821  1.7816   1.6107  0.5633   1.7403  15.526  5.4011 13.071  5.3464 2.454484       7.599720 
1 1 1 19 2  50 o 71.867  1.6418 40.626   1.8498  39.549   2.9170  41.351   2.3922  70.715  2.6314 72.423  2.1070 -1.708565      3.371001 
1 1 1 19 2  51 o 108.865 1.3504 93.131   2.3046  90.633   3.3919  95.273   3.1411  107.229 2.0178 109.996 1.8216 -2.767159      2.718350 
1 1 1 19 2  52 o 98.324  1.3438 75.980   2.0713  76.961   3.1045  75.193   2.7806  98.796  2.0044 97.707  1.8154 1.089569       2.704319 
1 1 1 19 2  53 f 23.096  3.0192 4.3098   1.0670  5.2204   1.5759  3.5389   1.4498  25.166  4.1383 20.522  4.6182 4.644159       6.201079 
1 1 1 19 2  54 o 54.981  1.5200 23.788   1.3101  22.750   1.8395  24.856   1.8664  53.656  2.1868 56.098  2.1223 -2.442165      3.047328 
1 1 1 19 2  55 o 85.530  1.3302 57.526   1.7835  61.176   2.5733  54.152   2.4742  88.064  1.8640 82.843  1.9051 5.221840       2.665298 
1 1 1 19 2  56 o 11.127  4.2297 0.7363   1.0194  3.7497   1.5489  -1.5663  1.3539  21.007  4.8072 8.2289  3.9032 12.77789       6.192294 
1 1 1 19 2  57 o 9.1238  3.9894 -0.1776  1.0833  -2.2599  1.6664  1.3466   1.4257  8.7517  4.2000 13.850  5.0523 -5.097872      6.570033 
1 1 1 19 2  58 o 35.991  2.2008 10.305   1.2358  8.4762   1.9512  11.529   1.5968  32.089  3.9631 37.940  2.7024 -5.851410      4.796782 
1 1 1 19 2  59 f 36.927  2.0719 10.837   1.1946  11.848   1.8398  10.101   1.5708  38.303  3.0902 35.428  2.8523 2.875286       4.205369 
1 1 1 19 2  60 o 36.732  2.1000 10.738   1.2042  11.059   1.8427  10.498   1.5910  36.913  3.2164 36.096  2.8345 0.8170586      4.287152 
1 1 1 19 2  61 f 7.3938  3.5199 -1.3465  1.1209  -0.1724  1.6074  -2.4579  1.5638  11.054  4.8457 8.1131  3.9362 2.940608       6.242965 
1 1 1 19 2  62 o 19.837  4.6698 3.4199   1.4281  5.5132   1.9626  1.0639   2.0821  25.087  5.1625 14.447  5.8714 10.63964       7.818164 
1 1 1 19 2  63 o 26.672  3.4957 5.8966   1.4265  5.2148   1.7618  7.1940   2.4304  24.513  4.7563 28.388  5.6598 -3.875120      7.392900 
1 1 1 19 2  64 o 10.795  4.4984 0.3559   1.2632  -0.2254  1.6453  1.1907   1.9716  11.004  4.8603 14.346  5.7544 -3.341771      7.532257 
1 1 1 19 2  65 o 27.985  3.1273 6.4387   1.3485  7.1052   1.9180  5.7872   1.8964  28.805  4.3858 25.687  4.8880 3.118376       6.567129 
1 1 1 19 2  66 o 28.263  3.0982 6.5702   1.3502  5.6801   1.9038  7.4711   1.9152  25.357  4.9669 29.583  4.2519 -4.226530      6.538301 
1 1 1 19 2  67 o 20.146  3.8544 3.4711   1.1729  4.5200   1.5655  2.1286   1.7710  22.729  4.5521 15.947  5.6544 6.782310       7.259073 
1 1 1 19 2  68 o 10.901  4.3483 0.6277   1.1192  0.7876   1.4572  0.3977   1.7476  12.223  4.9315 12.234  5.2047 -0.1106262E-01 7.169959 
1 1 1 19 2  69 o 12.345  4.5053 1.1461   1.1339  -0.7756  1.4945  3.7528   1.7405  9.5735  4.3905 20.203  5.3943 -10.62902      6.955200 
1 1 1 19 2  70 o 8.5342  3.9050 -0.6162  1.1732  -1.0386  1.8007  -0.3047  1.5464  10.245  4.7416 10.403  4.6464 -0.1584902     6.638631 
1 1 1 19 2  71 o 9.8669  4.5347 -0.7925  1.6060  -1.3943  2.1596  -0.0481  2.4020  10.875  5.0867 13.004  5.8007 -2.129323      7.715136 
1 1 1 19 2  72 f 30.472  3.7527 7.9569   1.7548  8.8804   2.4079  6.9110   2.5626  31.160  5.1061 26.435  6.2772 4.725220       8.091740 
1 1 1 19 3  0  o 65.071  2.4130 33.340   2.4538  33.340   2.4538  33.340   2.4538  65.071  2.4130 65.071  2.4130 0.000000       0.000000 
1 1 1 19 3  1  o 111.564 1.4206 97.594   2.4845  98.709   3.5647  96.540   3.4647  112.180 2.0270 110.943 1.9921 1.237778       2.842038 
1 1 1 19 3  2  o 68.834  1.6167 37.155   1.7446  40.620   2.5506  34.108   2.3915  71.957  2.2611 65.936  2.3136 6.021362       3.235019 
1 1 1 19 3  3  o 93.015  1.4520 67.840   2.1173  68.087   2.9746  67.586   3.0143  93.168  2.0366 92.824  2.0714 0.3442841      2.904938 
1 1 1 19 3  4  o 89.110  1.4818 62.264   2.0701  61.991   2.9169  62.541   2.9382  88.898  2.0930 89.291  2.0990 -0.3928833     2.964246 
1 1 1 19 3  5  o 124.830 1.4162 122.183  2.7715  119.758  3.8758  124.719  3.9646  123.564 2.0008 126.098 2.0056 -2.533157      2.832967 
1 1 1 19 3  6  o 107.863 1.4136 91.226   2.3902  91.080   3.3969  91.369   3.3640  107.758 2.0108 107.929 1.9882 -0.1718369     2.827786 
1 1 1 19 3  7  o 278.250 2.0284 607.299  8.8481  602.212  11.916  613.550  13.210  277.000 2.7441 279.558 3.0142 -2.557800      4.076220 
1 1 1 19 3  8  o 135.222 1.4998 143.380  3.1793  144.932  4.7755  142.145  4.2608  135.919 2.2412 134.617 2.0190 1.302109       3.016518 
1 1 1 19 3  9  f 133.076 1.6555 138.878  3.4537  140.698  4.6056  136.540  5.2205  133.920 2.1937 131.908 2.5246 2.012009       3.344537 
1 1 1 19 3  10 o 96.425  1.7534 72.920   2.6505  73.673   3.7145  72.139   3.7832  96.896  2.4453 95.879  2.5170 1.017105       3.509235 
1 1 1 19 3  11 o 122.065 1.7289 116.855  3.3083  117.910  4.2090  115.148  5.3514  122.595 2.1901 121.115 2.8185 1.479691       3.569358 
1 1 1 19 3  12 o 189.704 1.8049 282.257  5.3675  277.288  7.0754  288.995  8.2384  187.983 2.4009 191.878 2.7388 -3.895737      3.642178 
1 1 1 19 3  13 o 88.170  1.8575 60.976   2.5674  61.503   3.4019  60.279   3.9134  88.529  2.4512 87.626  2.8489 0.9027557      3.758252 
1 1 1 19 3  14 o 37.201  2.9748 10.936   1.7203  7.3243   2.2075  16.522   2.7454  30.126  4.8379 45.682  3.8700 -15.55578      6.195370 
1 1 1 19 3  15 o 107.709 1.5943 90.981   2.6920  92.749   3.6436  88.856   3.9946  108.728 2.1377 106.409 2.3946 2.318695       3.209956 
1 1 1 19 3  16 o 66.824  1.8027 35.025   1.8885  33.474   2.4911  37.121   2.8959  65.309  2.4331 68.766  2.6863 -3.456635      3.624368 
1 1 1 19 3  17 o 110.515 1.5983 95.787   2.7691  94.125   3.6909  97.927   4.1884  109.527 2.1496 111.704 2.3918 -2.176819      3.215796 
1 1 1 19 3  18 o 124.066 1.7255 120.731  3.3559  126.622  4.7796  115.003  4.7131  127.017 2.4004 121.043 2.4838 5.973587       3.454104 
1 1 1 19 3  19 o 78.268  1.6293 48.047   1.9992  47.393   2.5268  49.140   3.2690  77.719  2.0739 79.114  2.6358 -1.394989      3.353861 
1 1 1 19 3  20 o 30.987  3.0239 7.6146   1.4502  6.6680   1.8672  9.0539   2.3023  28.795  4.2653 33.611  4.4811 -4.816574      6.186574 
1 1 1 19 3  21 o 192.428 1.7162 290.462  5.1771  292.769  6.7169  287.087  8.1254  193.141 2.2184 191.198 2.7109 1.943176       3.502886 
1 1 1 19 3  22 o 88.909  1.5705 62.002   2.1890  60.967   2.8210  63.568   3.4703  88.143  2.0416 89.981  2.4602 -1.837257      3.196930 
1 1 1 19 3  23 o 62.301  1.7887 30.452   1.7470  30.870   2.2454  29.811   2.7807  62.709  2.2841 61.597  2.8797 1.112396       3.675605 
1 1 1 19 3  24 f 69.452  1.6642 37.841   1.8119  38.566   2.3421  36.761   2.8595  70.095  2.1314 68.408  2.6664 1.686935       3.413603 
1 1 1 19 3  25 o 33.416  2.6543 8.8277   1.3790  8.9992   1.7808  8.5707   2.1795  33.647  3.4238 32.682  4.3629 0.9652481      5.545920 
1 1 1 19 3  26 o 46.402  2.0577 16.903   1.4969  18.658   1.9364  14.297   2.3595  48.666  2.5470 42.463  3.5779 6.203011       4.391845 
1 1 1 19 3  27 o 151.147 1.6592 179.257  3.9314  173.877  5.1558  186.731  6.0768  148.801 2.2102 154.162 2.5145 -5.360275      3.347773 
1 1 1 19 3  28 o 115.965 1.4475 105.498  2.6315  103.682  3.8261  107.129  3.6250  114.905 2.1241 116.814 1.9795 -1.908966      2.903450 
1 1 1 19 3  29 o 92.848  1.4688 67.637   2.1379  63.490   3.0431  71.678   3.0042  89.907  2.1591 95.542  2.0058 -5.635147      2.946970 
1 1 1 19 3  30 o 190.771 1.7071 285.658  5.1052  279.611  7.8279  290.133  6.7346  188.558 2.6482 192.165 2.2355 -3.606491      3.465622 
1 1 1 19 3  31 o 88.614  1.6304 61.633   2.2649  64.211   3.5134  59.800   2.9628  90.368  2.4801 87.241  2.1663 3.126945       3.292958 
1 1 1 19 3  32 o 82.096  1.5511 52.898   1.9963  52.464   2.8200  53.335   2.8264  81.704  2.2017 82.381  2.1885 -0.6770935     3.104352 
1 1 1 19 3  33 o 111.448 1.4601 97.478   2.5510  97.540   3.7085  97.423   3.5146  111.405 2.1234 111.354 2.0134 0.5153656E-01  2.926178 
1 1 1 19 3  34 o 43.121  2.0167 14.612   1.3633  12.087   1.9258  17.148   1.9302  39.019  3.1758 46.596  2.6534 -7.576488      4.138397 
1 1 1 19 3  35 o 23.791  3.1980 4.5455   1.1625  5.2829   1.6654  3.8447   1.6236  25.462  4.3271 21.556  4.9138 3.905952       6.547469 
1 1 1 19 3  36 o 12.285  4.4326 1.0053   1.0931  1.6309   1.5586  0.3998   1.5333  15.140  5.3105 12.176  5.0037 2.964010       7.296447 
1 1 1 19 3  37 o 47.547  1.8654 17.766   1.3904  17.472   1.9763  18.054   1.9566  47.009  2.6929 47.799  2.6212 -0.7897682     3.757967 
1 1 1 19 3  38 o 54.819  1.7051 23.610   1.4653  24.666   2.1506  22.695   2.0018  55.963  2.4514 53.688  2.3785 2.275047       3.415620 
1 1 1 19 3  39 o 63.875  1.6016 32.049   1.6038  31.408   2.3027  32.654   2.2351  63.157  2.3257 64.411  2.2135 -1.254429      3.210673 
1 1 1 19 3  40 o 85.174  1.4168 56.966   1.8917  56.585   2.6109  57.386   2.7448  84.820  1.9635 85.405  2.0501 -0.5852585     2.838717 
1 1 1 19 3  41 o 24.024  2.9718 4.6289   1.0954  5.9532   1.5078  3.1489   1.5940  27.161  3.6321 19.457  5.1465 7.703373       6.299069 
1 1 1 19 3  42 o 104.990 1.3314 86.550   2.1914  88.525   2.9689  84.187   3.2481  106.107 1.7848 103.433 2.0031 2.674042       2.682945 
1 1 1 19 3  43 o 87.598  1.3504 60.259   1.8544  60.599   2.4984  59.842   2.7674  87.778  1.8156 87.192  2.0246 0.5856705      2.719426 
1 1 1 19 3  44 o 24.819  2.8932 4.9358   1.1046  5.3830   1.4995  4.4053   1.6332  25.736  3.8337 23.043  4.6809 2.693087       6.050429 
1 1 1 19 3  45 o 94.435  1.4442 70.066   2.1380  72.977   3.1797  67.663   2.8885  96.251  2.1073 92.706  1.9875 3.545013       2.896741 
1 1 1 19 3  46 o 17.278  4.0266 2.4773   1.0705  3.5196   1.4678  1.2931   1.5646  20.538  4.6650 14.201  5.2734 6.337503       7.040655 
1 1 1 19 3  47 o 86.547  1.4162 58.857   1.9215  56.057   2.6308  62.059   2.8131  84.362  1.9892 88.757  2.0217 -4.394707      2.836263 
1 1 1 19 3  48 o 87.526  1.4088 60.203   1.9330  61.388   2.7161  58.986   2.7516  88.278  1.9626 86.518  2.0287 1.759567       2.822714 
1 1 1 19 3  49 o 31.956  2.3183 8.1046   1.1535  7.6724   1.5667  8.6162   1.7045  30.892  3.2855 32.736  3.3694 -1.844177      4.706064 
1 1 1 19 3  50 o 10.780  4.3253 0.4718   1.1142  1.7071   1.4373  -1.3887  1.7639  14.980  5.1068 10.116  4.6858 4.864543       6.930798 
1 1 1 19 3  51 f 52.993  1.7573 22.117   1.4599  23.504   1.9331  20.276   2.2273  54.543  2.2607 50.472  2.8264 4.071007       3.619277 
1 1 1 19 3  52 o 57.550  1.7224 26.089   1.5539  24.587   1.9976  28.390   2.4729  55.765  2.2851 59.838  2.6362 -4.072231      3.488663 
1 1 1 19 3  53 o 25.436  2.9950 5.2198   1.1714  4.9638   1.5399  5.5714   1.8045  24.479  4.1617 25.821  4.6278 -1.341730      6.223854 
1 1 1 19 3  54 o 32.643  2.7416 8.5301   1.3900  10.921   2.0447  6.4765   1.8952  36.708  3.5995 27.900  4.4851 8.808214       5.750836 
1 1 1 19 3  55 o 38.461  2.0981 11.735   1.2602  11.983   1.7884  11.490   1.7762  38.637  2.9756 37.816  3.0213 0.8204575      4.240540 
1 1 1 19 3  56 o 26.879  2.7964 5.8212   1.1611  8.2767   1.7060  3.7025   1.5847  31.894  3.4680 20.783  4.9373 11.11185       6.033546 
1 1 1 19 3  57 o 89.008  1.4638 62.423   2.0425  67.150   2.9845  58.258   2.8013  92.080  2.0675 85.759  2.0836 6.320267       2.935315 
1 1 1 19 3  58 o 84.828  1.5290 56.751   2.0333  58.442   2.8156  54.909   2.9395  85.853  2.0920 83.140  2.2554 2.712936       3.076221 
1 1 1 19 3  59 o 25.064  3.2894 5.1547   1.2613  5.4931   1.8336  4.8509   1.7376  25.302  4.7984 23.727  4.8357 1.575111       6.812419 
1 1 1 19 3  60 o 13.855  4.8006 1.5070   1.2719  1.7588   1.9484  1.3201   1.6789  15.595  5.8663 14.131  5.4147 1.463324       7.983242 
1 1 1 19 3  61 o 15.112  4.4924 1.9504   1.1424  0.1702   1.6801  3.4812   1.5580  11.807  5.0651 19.886  5.0022 -8.079228      7.118746 
1 1 1 19 3  62 o 48.329  2.0453 18.582   1.5496  21.198   2.4717  16.888   1.9890  51.047  3.1034 45.706  2.7893 5.340225       4.172659 
1 1 1 19 3  63 o 16.534  4.5601 2.3874   1.2203  4.4927   1.7585  0.4318   1.6948  22.478  5.1066 12.244  5.1630 10.23443       7.261794 
1 1 1 19 3  64 o 23.685  4.3821 4.8493   1.5672  4.4534   1.9503  5.5709   2.6328  22.087  5.6190 24.126  6.7148 -2.038485      8.755651 
1 1 1 19 3  65 o 32.530  3.3388 8.7527   1.6785  8.8349   2.0095  8.5630   3.0530  32.294  4.0589 30.006  6.6638 2.287838       7.802630 
1 1 1 19 3  66 o 13.486  5.2634 1.1966   1.6081  -0.5453  1.8297  7.1091   3.3710  11.042  4.9827 26.396  7.6822 -15.35387      9.156601 
1 1 1 19 3  67 o 14.122  5.3135 1.4946   1.5987  2.6756   1.8440  -2.0797  3.2080  17.284  5.7848 13.010  6.1215 4.273910       8.422381 
1 1 1 19 3  68 o 20.044  4.2108 3.5149   1.2811  3.2884   1.5279  4.0510   2.3507  19.026  5.0417 20.488  6.5101 -1.462475      8.234082 
1 1 1 19 3  69 o 22.850  3.8541 4.4902   1.3315  3.4598   1.7886  5.7710   1.9941  19.216  5.5966 25.122  5.2332 -5.906666      7.662141 
1 1 1 19 3  70 o 14.901  5.2331 1.9204   1.5138  0.8937   2.0002  3.2968   2.3159  13.467  5.6401 18.511  6.4743 -5.044447      8.586478 
1 1 1 19 3  71 o 14.020  5.4110 1.5201   1.6850  1.7607   2.0872  1.0700   2.8550  15.055  5.9594 15.069  6.5340 -0.1393700E-01 8.843528 
1 1 1 19 4  0  o 93.297  2.2682 68.378   3.3131  68.378   3.3131  68.378   3.3131  93.297  2.2682 93.297  2.2682 0.000000       0.000000 
1 1 1 19 4  1  o 80.418  1.7929 50.723   2.2602  50.163   2.9510  51.517   3.5156  79.954  2.3543 81.010  2.7682 -1.055634      3.634011 
1 1 1 19 4  2  o 136.086 1.7989 145.253  3.8377  155.226  4.9819  130.699  6.0183  140.654 2.2594 129.017 2.9756 11.63699       3.736197 
1 1 1 19 4  3  o 91.536  1.9604 65.727   2.8131  68.975   3.6791  61.155   4.3649  93.748  2.5034 88.243  3.1553 5.505707       4.027803 
1 1 1 19 4  4  o 204.014 2.1442 326.542  6.8575  327.130  8.9845  325.721  10.614  204.131 2.8076 203.626 3.3250 0.5045624      4.351790 
1 1 1 19 4  5  f 92.163  1.9526 66.630   2.8212  72.255   3.8016  59.735   4.2090  95.950  2.5274 87.214  3.0784 8.735397       3.983010 
1 1 1 19 4  6  o 132.245 2.2140 137.219  4.5900  135.673  5.7429  139.954  7.6374  131.460 2.7866 133.442 3.6509 -1.982666      4.592853 
1 1 1 19 4  7  o 106.069 2.2097 88.274   3.6743  86.947   4.6524  90.475   5.9901  105.235 2.8201 107.297 3.5612 -2.062294      4.542576 
1 1 1 19 4  8  o 98.153  1.9464 75.574   2.9950  78.616   4.0603  71.943   4.4357  100.079 2.5880 95.717  2.9561 4.361870       3.928921 
1 1 1 19 4  9  o 187.055 2.0328 274.501  5.9610  279.534  7.9859  268.169  8.9578  188.699 2.6996 184.779 3.0924 3.920364       4.104976 
1 1 1 19 4  10 o 115.246 1.8442 104.182  3.3319  103.734  4.3727  104.801  5.1448  114.967 2.4262 115.530 2.8407 -0.5626068     3.735766 
1 1 1 19 4  11 o 110.320 1.9631 95.478   3.3951  94.653   4.1409  97.170   5.9300  109.819 2.4053 111.199 3.4018 -1.379326      4.166212 
1 1 1 19 4  12 o 90.842  1.7165 64.727   2.4444  59.135   3.1332  73.425   3.9077  86.806  2.3024 96.713  2.5774 -9.906387      3.456002 
1 1 1 19 4  13 o 98.484  1.6653 76.074   2.5711  78.407   3.4212  73.046   3.8973  99.960  2.1832 96.461  2.5772 3.498901       3.377675 
1 1 1 19 4  14 o 43.396  2.4085 14.827   1.6321  17.221   2.1644  11.671   2.4849  46.729  2.9699 38.278  4.2106 8.451069       5.152679 
1 1 1 19 4  15 o 44.652  2.1808 15.646   1.5265  14.581   2.1549  16.719   2.1627  42.955  3.2237 46.035  3.0134 -3.079727      4.412781 
1 1 1 19 4  16 o 40.518  2.3896 12.932   1.5111  11.268   2.1240  14.637   2.1502  37.677  3.6414 43.037  3.2102 -5.360287      4.854391 
1 1 1 19 4  17 o 177.630 1.7723 247.526  4.9353  252.434  7.5391  243.846  6.5287  179.285 2.6824 176.247 2.3629 3.038101       3.574720 
1 1 1 19 4  18 o 85.050  1.6031 56.739   2.1374  56.412   2.9984  57.078   3.0478  84.774  2.2562 85.272  2.2800 -0.4977798     3.207567 
1 1 1 19 4  19 o 173.676 1.6546 236.621  4.5050  234.402  6.3056  238.933  6.4384  172.793 2.3278 174.452 2.3542 -1.658875      3.310755 
1 1 1 19 4  20 f 109.916 1.4748 94.763   2.5413  96.067   3.7533  93.659   3.4533  110.627 2.1642 109.242 2.0164 1.385254       2.958000 
1 1 1 19 4  21 f 63.078  1.6952 31.216   1.6763  30.693   2.4139  31.704   2.3298  62.514  2.4631 63.541  2.3388 -1.027546      3.396636 
1 1 1 19 4  22 o 137.251 1.4926 147.770  3.2114  151.136  4.7849  145.012  4.3320  138.742 2.2000 135.918 2.0331 2.823441       2.995556 
1 1 1 19 4  23 o 86.357  1.5151 58.504   2.0512  59.836   3.0476  57.401   2.7733  87.291  2.2270 85.508  2.0689 1.783554       3.039754 
1 1 1 19 4  24 o 94.055  1.4620 69.400   2.1557  70.870   3.1775  68.145   2.9344  95.002  2.1335 93.167  2.0091 1.835136       2.930586 
1 1 1 19 4  25 o 101.177 1.4618 80.312   2.3186  82.029   3.4107  78.837   3.1613  102.202 2.1288 100.204 2.0125 1.997993       2.929472 
1 1 1 19 4  26 o 46.279  1.8810 16.814   1.3646  16.574   1.9279  17.056   1.9319  45.830  2.6952 46.497  2.6614 -0.6671104     3.787733 
1 1 1 19 4  27 o 145.760 1.4348 166.697  3.2785  165.111  4.5876  168.352  4.6868  144.995 2.0183 146.408 2.0420 -1.413010      2.871126 
1 1 1 19 4  28 o 117.505 1.3928 108.334  2.5656  110.509  3.6211  106.142  3.6356  118.622 1.9472 116.249 1.9949 2.373169       2.787746 
1 1 1 19 4  29 o 60.665  1.5938 28.887   1.5157  28.945   2.1153  28.825   2.1730  60.686  2.2234 60.555  2.2890 0.1310196      3.191094 
1 1 1 19 4  30 o 49.324  1.8116 19.106   1.4008  17.873   1.9787  20.346   1.9834  47.579  2.6635 50.856  2.4878 -3.277298      3.644638 
1 1 1 19 4  31 o 62.983  1.6098 31.143   1.5894  31.699   2.1525  30.477   2.3569  63.501  2.1623 62.243  2.4154 1.257526       3.241903 
1 1 1 19 4  32 o 11.608  4.4583 0.7202   1.1398  2.6833   1.5511  -1.5846  1.6806  18.124  5.1927 9.6557  4.5068 8.468225       6.875663 
1 1 1 19 4  33 f 77.994  1.4701 47.754   1.7974  49.228   2.4785  46.118   2.6106  79.139  1.9978 76.578  2.1746 2.560356       2.952945 
1 1 1 19 4  34 o 123.265 1.3932 119.269  2.6922  117.939  3.7116  120.745  3.9109  122.495 1.9328 123.929 2.0130 -1.434273      2.790733 
1 1 1 19 4  35 o 20.714  3.4139 3.4810   1.0700  4.0524   1.3956  2.6663   1.6665  22.241  4.1556 18.127  5.4343 4.114338       6.841093 
1 1 1 19 4  36 o 54.420  1.6001 23.262   1.3651  25.694   1.8760  20.526   1.9901  57.150  2.0939 51.043  2.4870 6.107578       3.251096 
1 1 1 19 4  37 o 35.538  2.1281 9.9737   1.1802  9.6897   1.5666  10.346   1.7945  34.917  2.8880 36.032  3.2106 -1.114956      4.318362 
1 1 1 19 4  38 o 64.933  1.4729 33.114   1.4993  35.093   2.0250  30.713   2.2304  66.797  1.9338 62.449  2.2782 4.348026       2.988308 
1 1 1 19 4  39 o 129.745 1.4036 132.197  2.8550  129.183  3.9507  135.492  4.1303  128.141 1.9667 131.223 2.0078 -3.081238      2.810527 
1 1 1 19 4  40 o 19.069  3.7992 2.9900   1.0958  3.4082   1.5317  2.5516   1.5684  20.218  4.8867 17.669  5.2664 2.548866       7.184338 
1 1 1 19 4  41 o 38.063  2.0608 11.440   1.2251  10.181   1.7023  12.792   1.7645  35.736  3.0684 40.134  2.8225 -4.397266      4.169074 
1 1 1 19 4  42 o 68.546  1.5129 36.921   1.6257  34.728   2.2080  39.519   2.4025  66.399  2.1212 70.824  2.1639 -4.425247      3.030211 
1 1 1 19 4  43 f 69.163  1.6174 37.607   1.7537  36.278   2.3071  39.425   2.6989  67.850  2.1691 70.682  2.4357 -2.832390      3.261523 
1 1 1 19 4  44 o 18.375  4.1713 2.8050   1.1741  2.9682   1.7459  2.6703   1.5864  18.920  5.5349 17.985  5.2803 0.9353123      7.649571 
1 1 1 19 4  45 o 37.143  2.1107 10.908   1.2240  12.707   1.7096  9.0172   1.7531  39.985  2.7440 33.517  3.3827 6.468121       4.355755 
1 1 1 19 4  46 o 66.460  1.5995 34.737   1.6664  34.701   2.2273  34.782   2.5116  66.338  2.1417 66.362  2.4142 -0.2429962E-01 3.227284 
1 1 1 19 4  47 o 47.026  1.7983 17.411   1.3257  18.135   1.8458  16.640   1.9054  47.837  2.4697 45.776  2.6668 2.060787       3.634694 
1 1 1 19 4  48 o 27.522  2.7174 6.0577   1.1572  7.7132   1.6020  4.2516   1.6733  30.944  3.3563 22.495  4.8848 8.448561       5.926713 
1 1 1 19 4  49 o 20.167  3.6224 3.3459   1.1031  2.6436   1.5127  4.1436   1.6122  17.787  5.1372 22.207  4.7731 -4.419672      7.012393 
1 1 1 19 4  50 o 55.770  1.7058 24.497   1.4913  26.507   2.1430  22.610   2.0767  57.886  2.3616 53.436  2.4790 4.449146       3.423807 
1 1 1 19 4  51 o 94.142  1.3669 69.699   2.0173  69.277   2.9203  70.085   2.7899  93.684  1.9884 94.261  1.8880 -0.5766602     2.741967 
1 1 1 19 4  52 o 57.163  1.5743 25.734   1.4108  24.834   2.0624  26.525   1.9342  55.994  2.3495 57.923  2.1301 -1.929310      3.171335 
1 1 1 19 4  53 o 51.546  1.7808 20.961   1.4390  19.872   1.9365  22.305   2.1504  50.039  2.4686 52.982  2.5890 -2.942215      3.577282 
1 1 1 19 4  54 o 83.506  1.6161 54.974   2.1157  54.835   2.9567  55.120   3.0287  83.170  2.2677 83.365  2.3175 -0.1947556     3.242432 
1 1 1 19 4  55 o 58.862  1.9364 27.401   1.7869  30.748   2.6308  24.534   2.4346  62.093  2.7026 55.358  2.8147 6.734985       3.902137 
1 1 1 19 4  56 f 36.983  2.3624 10.917   1.3625  10.374   2.0822  11.324   1.8018  35.546  3.7954 37.430  3.0985 -1.883736      4.899551 
1 1 1 19 4  57 o 44.355  2.3194 15.693   1.6071  14.291   2.1705  17.395   2.3912  41.935  3.3290 46.294  3.3169 -4.359566      4.699347 
1 1 1 19 4  58 o 42.283  2.2783 14.273   1.5046  13.441   1.8909  15.710   2.4841  40.764  2.9797 43.757  3.6547 -2.992901      4.715438 
1 1 1 19 4  59 o 12.260  4.6854 0.9578   1.2551  1.0809   1.7477  0.8266   1.8035  13.730  5.4473 13.355  5.4502 0.3746309      7.705706 
1 1 1 19 4  60 o 39.132  2.4450 12.300   1.4924  11.708   2.0833  12.923   2.1388  37.667  3.5707 39.637  3.4772 -1.969982      4.984079 
1 1 1 19 4  61 o 8.6917  3.9860 -0.7275  1.2318  0.4415   2.2624  -1.2200  1.4685  13.716  5.8806 8.9756  4.1971 4.740032       7.224769 
1 1 1 19 4  62 o 21.441  3.8305 3.9056   1.2403  2.8098   2.1542  4.4489   1.5169  17.913  6.2454 22.648  4.4311 -4.734467      7.657686 
1 1 1 19 4  63 o 15.017  4.4753 1.9545   1.1327  1.6963   1.7099  2.1564   1.5119  14.845  5.5129 15.816  5.2362 -0.9709578     7.603268 
1 1 1 19 4  64 o 29.790  2.6411 7.2132   1.2206  9.0221   1.9523  6.0521   1.5640  32.708  3.8832 26.740  3.8414 5.968609       5.462227 
1 1 1 19 4  65 o 30.114  2.6225 7.3736   1.2257  7.9890   1.9348  6.9610   1.5841  30.576  4.1432 28.813  3.5846 1.763058       5.478630 
1 1 1 19 4  66 o 16.867  4.7618 2.5415   1.3142  2.9542   1.7943  2.0637   1.9304  17.958  5.6857 15.847  5.8629 2.111305       8.167032 
1 1 1 19 4  67 o 31.922  2.9522 8.3876   1.4607  9.4437   2.0916  7.3823   2.0407  33.184  4.1086 28.948  4.6546 4.235630       6.208523 
1 1 1 19 4  68 o 16.265  4.9141 2.3919   1.3588  3.4919   1.8794  1.1873   1.9667  19.184  5.7757 13.970  5.6953 5.213120       8.111382 
1 1 1 19 4  69 o 17.799  5.1194 2.9441   1.5050  1.6160   2.2441  4.0297   2.0288  15.078  6.1071 20.328  5.9722 -5.249430      8.541928 
1 1 1 19 4  70 o 12.931  5.2051 1.0865   1.6193  1.5755   2.2432  0.5544   2.3399  14.863  6.0734 13.456  5.8740 1.406750       8.449226 
1 1 1 19 5  0  o 82.087  3.5482 53.180   4.5466  53.180   4.5466  53.180   4.5466  82.087  3.5482 82.087  3.5482 0.000000       0.000000 
1 1 1 19 5  1  o 46.893  3.3887 17.373   2.4744  13.706   3.4860  21.096   3.5127  41.307  5.5215 51.576  4.3862 -10.26851      7.051597 
1 1 1 19 5  2  o 87.212  2.2380 59.690   3.0598  60.343   4.1080  58.876   4.5858  87.646  2.9898 86.548  3.3799 1.097984       4.512490 
1 1 1 19 5  3  o 56.203  3.0769 24.891   2.7007  23.436   4.0545  26.051   3.6210  54.318  4.8112 57.395  4.0504 -3.076645      6.289157 
1 1 1 19 5  4  o 141.227 2.0641 156.500  4.5699  156.467  6.6444  156.529  6.2953  141.131 3.0032 141.174 2.8445 -0.4360962E-01 4.136437 
1 1 1 19 5  5  o 165.233 1.8684 214.186  4.8397  216.014  6.9502  212.465  6.7433  165.862 2.6730 164.500 2.6149 1.361816       3.739322 
1 1 1 19 5  6  o 152.150 1.8349 181.608  4.3766  175.510  6.1350  187.927  6.2455  149.509 2.6176 154.712 2.5751 -5.202469      3.671854 
1 1 1 19 5  7  o 48.415  2.3510 18.399   1.7844  16.543   2.7287  19.784   2.3585  45.695  3.8450 50.092  3.0175 -4.396629      4.887619 
1 1 1 19 5  8  o 91.072  1.6497 65.058   2.3553  64.383   3.7761  65.488   3.0132  90.548  2.6602 91.352  2.1041 -0.8048859     3.391728 
1 1 1 19 5  9  o 54.503  1.9802 23.309   1.6920  25.185   2.6664  22.044   2.1892  56.536  3.0194 52.983  2.6356 3.553150       4.007886 
1 1 1 19 5  10 o 165.047 1.5786 213.663  4.0844  215.565  6.0979  212.116  5.5005  165.713 2.3473 164.403 2.1342 1.309967       3.172503 
1 1 1 19 5  11 o 109.877 1.4991 94.690   2.5821  97.512   3.8850  92.457   3.4559  111.460 2.2234 108.545 2.0309 2.915169       3.011341 
1 1 1 19 5  12 o 94.936  1.5265 70.692   2.2719  72.705   3.3812  69.036   3.0675  96.241  2.2411 93.790  2.0863 2.450630       3.061877 
1 1 1 19 5  13 o 163.118 1.5722 208.710  4.0204  209.180  5.9456  208.313  5.4571  163.232 2.3235 162.913 2.1367 0.3188171      3.156608 
1 1 1 19 5  14 o 148.323 1.5312 172.565  3.5605  181.238  5.4272  166.011  4.7176  151.939 2.2785 145.437 2.0692 6.502365       3.077827 
1 1 1 19 5  15 o 33.089  2.6725 8.6570   1.3745  9.1727   2.0534  8.2383   1.8501  33.901  3.9370 32.134  3.7427 1.767075       5.432084 
1 1 1 19 5  16 o 85.221  1.5407 56.972   2.0583  55.469   3.0520  58.226   2.7877  84.048  2.3163 86.127  2.0647 -2.079117      3.102935 
1 1 1 19 5  17 o 64.203  1.7117 32.343   1.7228  31.653   2.5465  32.925   2.3394  63.475  2.5591 64.752  2.3046 -1.276115      3.443870 
1 1 1 19 5  18 o 143.624 1.5176 161.822  3.4169  162.178  5.0372  161.519  4.6503  143.711 2.2359 143.438 2.0681 0.2731323      3.045656 
1 1 1 19 5  19 o 101.851 1.5633 81.388   2.4961  76.344   3.8460  85.058   3.2809  98.574  2.4888 104.091 2.0106 -5.516510      3.199507 
1 1 1 19 5  20 o 19.153  4.3232 3.0112   1.2673  2.3544   1.8853  3.5527   1.7117  17.645  5.8474 20.776  5.2525 -3.131100      7.860121 
1 1 1 19 5  21 o 11.362  4.5808 0.4524   1.2564  2.2546   1.8758  -1.0137  1.6919  17.373  5.8344 10.444  4.7441 6.929664       7.519771 
1 1 1 19 5  22 o 118.671 1.4194 110.487  2.6405  112.762  3.7816  108.321  3.6887  119.832 2.0130 117.450 2.0034 2.382637       2.840035 
1 1 1 19 5  23 o 64.502  1.6220 32.652   1.6401  32.923   2.3271  32.385   2.3118  64.728  2.2933 64.197  2.2972 0.5319672      3.245982 
1 1 1 19 5  24 o 107.489 1.4746 90.663   2.4848  89.017   3.3270  92.740   3.7366  106.460 1.9935 108.641 2.1940 -2.180542      2.964381 
1 1 1 19 5  25 o 32.221  2.4565 8.2108   1.2315  8.2812   1.7527  8.1421   1.7307  32.208  3.5290 31.935  3.5151 0.2728825      4.980991 
1 1 1 19 5  26 o 84.737  1.4602 56.350   1.9398  56.175   2.7463  56.525   2.7402  84.554  2.0719 84.817  2.0608 -0.2635803     2.922275 
1 1 1 19 5  27 o 141.285 1.4410 156.659  3.1916  157.375  4.5127  155.943  4.5144  141.520 2.0341 140.873 2.0442 0.6472168      2.883762 
1 1 1 19 5  28 o 55.140  1.6737 23.874   1.4468  24.186   2.0460  23.562   2.0461  55.451  2.3537 54.728  2.3849 0.7232361      3.350733 
1 1 1 19 5  29 o 46.940  1.8278 17.310   1.3450  19.833   1.9352  14.952   1.8707  50.200  2.4591 43.478  2.7589 6.721813       3.695792 
1 1 1 19 5  30 o 84.146  1.5123 55.589   1.9949  56.037   2.9421  55.209   2.7141  84.404  2.2235 83.798  2.0661 0.6057816      3.035223 
1 1 1 19 5  31 o 58.334  1.6348 26.726   1.4950  27.580   2.1018  25.851   2.1269  59.205  2.2646 57.309  2.3674 1.895901       3.276076 
1 1 1 19 5  32 o 27.797  2.7729 6.1526   1.1922  5.8656   1.6385  6.4755   1.7380  26.904  4.0072 28.289  4.0332 -1.385525      5.685414 
1 1 1 19 5  33 o 86.131  1.4633 58.251   1.9759  57.080   2.7316  59.536   2.8615  85.189  2.0454 86.994  2.0982 -1.805138      2.930211 
1 1 1 19 5  34 o 64.228  1.6654 32.412   1.6768  32.092   2.4349  32.701   2.3127  63.823  2.4336 64.445  2.2891 -0.6217079     3.341017 
1 1 1 19 5  35 o 37.337  2.2600 11.017   1.3166  11.479   1.9530  10.633   1.7825  37.939  3.3169 36.536  3.1428 1.403000       4.569367 
1 1 1 19 5  36 o 61.556  1.6878 29.781   1.6287  30.920   2.4280  28.849   2.1961  62.625  2.4731 60.513  2.3150 2.112545       3.387525 
1 1 1 19 5  37 f 25.409  3.1536 5.1863   1.2291  6.3392   1.8588  4.2906   1.6384  27.851  4.4039 22.739  4.7495 5.112253       6.477054 
1 1 1 19 5  38 o 46.845  1.8735 17.264   1.3758  18.565   1.9262  15.908   1.9658  48.439  2.5456 44.780  2.8146 3.658451       3.794990 
1 1 1 19 5  39 o 31.814  2.4443 8.0310   1.2098  8.3014   1.6740  7.7355   1.7502  32.177  3.3685 30.981  3.6753 1.195911       4.985485 
1 1 1 19 5  40 o 38.924  2.0935 11.968   1.2727  10.858   1.7360  13.259   1.8714  36.908  3.0270 40.827  2.9438 -3.918606      4.222383 
1 1 1 19 5  41 o 38.127  2.1077 11.488   1.2549  11.152   1.7551  11.840   1.7950  37.403  3.0190 38.551  2.9936 -1.147682      4.251620 
1 1 1 19 5  42 o 89.255  1.5136 62.618   2.1178  62.944   2.8289  62.203   3.1943  89.390  2.0187 88.798  2.2947 0.5916290      3.056282 
1 1 1 19 5  43 o 48.370  1.8440 18.418   1.3983  16.370   1.9262  20.700   2.0331  45.407  2.7185 51.181  2.5340 -5.773693      3.716313 
1 1 1 19 5  44 o 32.403  2.4138 8.3386   1.2173  7.5945   1.6820  9.1572   1.7641  30.672  3.5644 33.763  3.3784 -3.090534      4.911058 
1 1 1 19 5  45 o 8.8299  3.9274 -0.3792  1.0927  -2.0450  1.5168  1.4182   1.5755  8.4313  4.0358 14.490  5.3073 -6.058753      6.667496 
1 1 1 19 5  46 o 39.194  2.1834 12.163   1.3362  15.124   1.8299  8.7799   1.9558  43.613  2.6896 32.895  3.8665 10.71781       4.709951 
1 1 1 19 5  47 o 73.795  1.5075 42.838   1.7439  45.151   2.4779  40.568   2.4549  75.637  2.0897 71.673  2.1849 3.964592       3.023338 
1 1 1 19 5  48 o 53.399  1.7292 22.463   1.4475  22.668   2.0263  22.248   2.0686  53.516  2.4153 53.003  2.4896 0.5137939      3.468656 
1 1 1 19 5  49 o 65.784  1.7191 34.100   1.7729  34.947   2.4708  33.201   2.5454  66.439  2.3722 64.720  2.5088 1.718712       3.452789 
1 1 1 19 5  50 o 47.357  1.9745 17.710   1.4659  21.050   2.0674  14.333   2.0788  51.500  2.5607 42.248  3.1617 9.252171       4.068614 
1 1 1 19 5  51 o 56.386  1.8272 25.092   1.6151  23.995   2.2285  26.305   2.3442  54.953  2.5868 57.532  2.5991 -2.579834      3.666989 
1 1 1 19 5  52 o 6.4047  3.1961 -3.3689  1.3044  -5.5846  1.7213  -0.3804  1.9991  6.7355  3.4021 12.126  5.3565 -5.390090      6.345550 
1 1 1 19 5  53 o 55.051  2.0814 24.000   1.7963  25.241   2.3445  22.235   2.7953  56.277  2.6574 52.435  3.4193 3.841305       4.330515 
1 1 1 19 5  54 o 63.681  1.9342 32.092   1.9310  34.120   2.5698  29.461   2.9264  65.453  2.5045 60.496  3.0961 4.957588       3.982226 
1 1 1 19 5  55 o 8.3035  3.9306 -1.4752  1.3594  -2.7918  1.8552  0.0513   1.9976  8.9165  4.3168 12.651  5.4756 -3.734796      6.972539 
1 1 1 19 5  56 o 41.386  2.5376 13.733   1.6384  14.174   2.3222  13.295   2.3120  41.588  3.5973 40.215  3.7092 1.373569       5.167066 
1 1 1 19 5  57 o 54.621  2.0622 23.708   1.7658  23.132   2.5967  24.203   2.4083  53.408  3.1149 54.803  2.8127 -1.394253      4.196894 
1 1 1 19 5  58 o 13.516  4.6768 1.4457   1.2069  1.2701   1.7910  1.5918   1.6335  14.175  5.5484 14.607  5.3954 -0.4318953     7.739240 
1 1 1 19 5  59 o 50.397  1.9297 20.184   1.5246  20.448   2.2612  19.963   2.0644  50.232  2.8836 49.754  2.6564 0.4776268      3.920600 
1 1 1 19 5  60 o 24.854  3.1842 5.1051   1.2121  6.2309   1.8746  4.2961   1.5890  26.800  4.6292 22.114  4.7270 4.686930       6.616180 
1 1 1 19 5  61 o 9.4157  4.1730 -0.2468  1.2230  -0.5586  1.8298  0.0050   1.6441  11.048  4.9842 11.308  4.9303 -0.2601776     7.010752 
1 1 1 19 5  62 o 25.000  3.6377 5.2635   1.3839  5.8889   2.2961  4.9067   1.7343  25.175  5.9178 23.516  4.8648 1.658991       7.660727 
1 1 1 19 5  63 o 13.781  4.7739 1.5560   1.2577  2.2667   2.2390  1.2284   1.5202  16.659  6.2840 13.353  5.1435 3.306439       8.120561 
1 1 1 19 5  64 f 9.6871  4.1943 0.0209   1.1730  1.7684   1.9249  -1.0113  1.4794  15.203  5.8045 9.2042  4.2733 5.999160       7.207861 
1 1 1 19 5  65 o 20.601  3.7922 3.6460   1.1796  3.9027   1.8721  3.4770   1.5190  20.420  5.6547 19.582  4.9466 0.8374844      7.512980 
1 1 1 19 5  66 o 20.461  3.8156 3.6144   1.1789  7.3158   1.8745  1.1926   1.5162  29.025  4.2450 13.147  5.1164 15.87853       6.648119 
1 1 1 19 5  67 o 41.747  2.3037 14.096   1.5018  14.292   2.1447  13.907   2.1036  41.350  3.3370 40.800  3.3176 0.5497475      4.705510 
1 1 1 19 5  68 o 20.950  4.1401 3.8865   1.3115  3.9355   1.8666  3.8388   1.8431  20.179  5.6674 19.945  5.6419 0.2338066      7.996884 
1 1 1 19 5  69 o 24.586  4.0925 5.3440   1.5219  2.3012   2.2137  8.0710   2.0957  16.067  6.2018 29.881  4.6232 -13.81410      7.735376 
1 1 1 19 6  0  o 167.245 2.3644 219.538  6.1964  219.538  6.1964  219.538  6.1964  167.245 2.3644 167.245 2.3644 0.000000       0.000000 
1 1 1 19 6  1  o 56.118  1.8082 24.710   1.5908  23.152   2.2171  26.362   2.2837  54.291  2.6050 57.937  2.5144 -3.646339      3.620511 
1 1 1 19 6  2  o 117.071 1.4511 107.500  2.6632  108.275  3.7846  106.739  3.7484  117.454 2.0554 116.618 2.0503 0.8357925      2.903177 
1 1 1 19 6  3  o 67.720  1.6597 35.978   1.7620  36.350   2.5255  35.624   2.4596  68.040  2.3677 67.359  2.3292 0.6811600      3.321328 
1 1 1 19 6  4  o 136.615 1.5159 146.397  3.2467  141.449  4.7072  150.887  4.4839  134.229 2.2370 138.651 2.0629 -4.422150      3.042959 
1 1 1 19 6  5  o 85.774  1.6471 57.718   2.2148  57.359   3.1245  58.080   3.1400  85.470  2.3319 86.006  2.3289 -0.5356598     3.295682 
1 1 1 19 6  6  o 163.232 1.5851 209.020  4.0562  208.080  5.9533  209.834  5.5415  162.788 2.3328 163.492 2.1621 -0.7047272     3.180696 
1 1 1 19 6  7  o 20.180  5.0557 3.3444   1.5961  5.7925   2.7013  2.0315   1.9783  26.481  6.5446 17.034  5.9824 9.447390       8.866840 
1 1 1 19 6  8  o 18.966  4.9183 2.9482   1.4746  3.2960   1.9861  2.5210   2.2013  20.202  5.9016 18.542  6.3199 1.659386       8.646968 
1 1 1 19 6  9  o 49.718  2.1572 19.406   1.6814  18.913   2.2509  20.029   2.5289  48.960  2.9464 50.357  3.2203 -1.396919      4.364761 
1 1 1 19 6  10 o 143.249 1.5892 160.988  3.5688  157.836  4.5702  165.914  5.7131  141.797 2.0560 145.327 2.5077 -3.530090      3.242758 
1 1 1 19 6  11 o 75.174  1.6943 44.341   1.9967  44.581   2.5812  43.984   3.1505  75.351  2.1852 74.811  2.6863 0.5399704      3.462847 
1 1 1 19 6  12 o 83.497  1.7367 54.710   2.2733  56.272   3.0881  52.861   3.3587  84.643  2.3273 82.016  2.6123 2.627182       3.498600 
1 1 1 19 6  13 o 134.589 1.6717 142.140  3.5272  140.471  4.7224  144.245  5.3048  133.738 2.2524 135.491 2.4975 -1.753906      3.363164 
1 1 1 19 6  14 o 232.575 1.9285 424.622  7.0314  427.087  9.9826  422.196  9.9055  233.074 2.7321 231.736 2.7266 1.336945       3.859921 
1 1 1 19 6  15 o 47.922  2.0249 18.032   1.5212  17.521   2.2484  18.463   2.0659  47.088  3.0625 48.381  2.7350 -1.293007      4.105998 
1 1 1 19 6  16 f 44.156  2.3056 15.360   1.5905  16.976   2.6526  14.453   1.9873  46.255  3.6888 42.754  2.9837 3.500992       4.744482 
1 1 1 19 6  17 o 12.509  4.7195 0.9013   1.2631  1.9242   1.9645  0.1804   1.6491  16.723  5.9524 12.183  5.1129 4.539302       7.846860 
1 1 1 19 6  18 o 212.527 1.8445 354.617  6.1455  372.566  10.119  344.127  7.7355  217.558 2.9669 209.252 2.3581 8.306320       3.789897 
1 1 1 19 6  19 o 139.546 1.4705 152.802  3.2168  153.700  4.5989  151.942  4.5011  139.877 2.0973 139.080 2.0645 0.7975006      2.942884 
1 1 1 19 6  20 o 89.203  1.3961 62.436   1.9523  61.259   2.6431  63.849   2.8961  88.319  1.9090 90.154  2.0492 -1.834579      2.800607 
1 1 1 19 6  21 o 101.379 1.3623 80.642   2.1651  79.288   2.9330  82.262   3.2094  100.480 1.8620 102.332 2.0006 -1.852066      2.733032 
1 1 1 19 6  22 o 65.650  1.5605 33.830   1.6060  34.636   2.1178  32.739   2.4637  66.395  2.0347 64.517  2.4359 1.877617       3.173900 
1 1 1 19 6  23 o 22.072  3.2613 3.9247   1.0945  3.4840   1.4598  4.4905   1.6540  20.550  4.6409 23.378  4.6764 -2.828259      6.588394 
1 1 1 19 6  24 o 76.543  1.4872 45.989   1.7846  48.387   2.3754  42.881   2.7041  78.476  1.9308 73.835  2.3361 4.640549       3.030795 
1 1 1 19 6  25 o 55.589  1.6600 24.266   1.4466  23.957   1.9415  24.652   2.1690  55.191  2.2440 55.966  2.4722 -0.7753754     3.338762 
1 1 1 19 6  26 o 75.482  1.4395 44.725   1.7034  45.304   2.2891  44.006   2.5499  75.926  1.9232 74.803  2.1744 1.123016       2.902925 
1 1 1 19 6  27 o 15.940  4.2612 2.0881   1.0853  3.2014   1.4806  0.7950   1.5956  19.657  4.8375 13.206  5.2159 6.450839       7.113840 
1 1 1 19 6  28 o 69.909  1.4803 38.373   1.6223  37.823   2.1795  39.056   2.4292  69.358  2.0045 70.456  2.1994 -1.098694      2.975786 
1 1 1 19 6  29 o 32.662  2.3950 8.4455   1.2178  9.3155   1.7037  7.5366   1.7413  34.184  3.2170 30.624  3.7023 3.560091       4.904684 
1 1 1 19 6  30 o 15.535  4.5363 1.9614   1.1737  2.6209   1.7111  1.3753   1.6129  18.021  5.5290 14.579  5.3654 3.441615       7.704386 
1 1 1 19 6  31 o 120.897 1.4129 114.767  2.6777  115.103  3.7685  114.425  3.8056  120.969 1.9872 120.607 2.0128 0.3618164      2.828442 
1 1 1 19 6  32 o 97.401  1.4321 74.502   2.1866  77.475   3.0925  71.530   3.0922  99.238  1.9878 95.340  2.0689 3.898170       2.869111 
1 1 1 19 6  33 o 147.274 1.5252 170.392  3.5213  170.921  4.7686  169.759  5.2218  147.365 2.0642 146.801 2.2690 0.5642242      3.067467 
1 1 1 19 6  34 o 77.157  1.5128 46.770   1.8298  48.469   2.5719  45.029   2.6039  78.463  2.0909 75.611  2.1967 2.852303       3.032729 
1 1 1 19 6  35 o 34.739  2.3031 9.5529   1.2471  10.432   1.7323  8.6063   1.7969  36.175  3.0840 32.734  3.5591 3.440857       4.709369 
1 1 1 19 6  36 o 9.6795  4.1135 0.0351   1.0894  -0.6384  1.5145  0.7573   1.5683  10.212  4.5769 12.981  5.1571 -2.769255      6.895145 
1 1 1 19 6  37 o 26.727  2.8930 5.7164   1.1928  6.2942   1.6827  5.1330   1.6910  27.825  3.9702 24.951  4.4884 2.874819       5.992347 
1 1 1 19 6  38 o 38.924  2.1222 11.973   1.2901  9.8637   1.7339  14.589   1.9308  35.126  3.1834 42.838  2.8921 -7.711216      4.300930 
1 1 1 19 6  39 o 34.778  2.2788 9.5808   1.2355  8.4324   1.7127  10.827   1.7842  32.396  3.4242 36.821  3.1203 -4.424793      4.632655 
1 1 1 19 6  40 o 51.406  1.7899 20.797   1.4424  18.940   1.9857  22.873   2.0988  48.879  2.6008 53.808  2.4881 -4.929386      3.599263 
1 1 1 19 6  41 o 37.387  2.2269 11.066   1.2993  8.3810   1.7554  14.320   1.9322  32.252  3.5295 42.406  2.9244 -10.15436      4.583601 
1 1 1 19 6  42 o 45.111  2.0047 16.040   1.4177  16.634   2.0984  15.541   1.9230  45.702  2.9445 44.205  2.7892 1.496986       4.055792 
1 1 1 19 6  43 o 25.804  3.5783 5.4111   1.4085  5.0068   2.1803  5.7006   1.8453  24.227  5.8146 26.199  4.6637 -1.972572      7.453795 
1 1 1 19 6  44 o 60.469  1.8827 28.816   1.7847  29.152   2.6694  28.545   2.3999  60.620  2.8089 60.048  2.5494 0.5715637      3.793345 
1 1 1 19 6  45 o 59.610  2.0575 28.043   1.9227  29.303   2.7392  26.820   2.6994  60.737  2.8769 58.006  2.9785 2.730705       4.141015 
1 1 1 19 6  46 o 62.874  1.9695 31.193   1.9413  30.739   2.7714  31.630   2.7201  62.192  2.8425 63.116  2.7491 -0.9237251     3.954449 
1 1 1 19 6  47 o 48.774  2.3306 18.832   1.7820  17.728   2.3921  20.208   2.6712  46.993  3.2673 50.133  3.4192 -3.139954      4.729306 
1 1 1 19 6  48 o 30.522  3.1304 7.5150   1.4767  8.4333   1.9644  6.3221   2.2391  32.082  3.9923 27.207  5.4399 4.875540       6.747622 
1 1 1 19 6  49 o 40.154  2.7221 12.890   1.7034  13.614   2.2943  12.001   2.5427  40.975  3.6086 38.175  4.3251 2.800438       5.632794 
1 1 1 19 6  50 o 45.803  2.2805 16.636   1.6375  15.914   2.3203  17.352   2.3112  44.384  3.3597 46.419  3.1954 -2.035301      4.636640 
1 1 1 19 6  51 o 65.195  1.9683 33.626   2.0117  27.772   3.1468  37.672   2.6161  58.603  3.4404 68.842  2.4241 -10.23854      4.208601 
1 1 1 19 6  52 o 36.334  3.0370 10.663   1.7140  13.309   3.3418  9.7182   1.9967  39.364  5.5709 34.405  3.7633 4.959423       6.722860 
1 1 1 19 6  53 o 62.053  1.9217 30.493   1.8694  35.431   2.9735  27.265   2.4038  66.483  2.8530 58.420  2.6247 8.063034       3.876670 
1 1 1 19 6  54 o 24.095  3.7709 4.8425   1.3777  3.4598   2.0060  6.0769   1.8954  19.753  5.9714 26.648  4.7093 -6.894882      7.604941 
1 1 1 19 6  55 o 25.620  3.5507 5.4431   1.3877  8.4796   2.1468  3.2634   1.8188  31.641  4.4511 19.171  5.6611 12.46993       7.201428 
1 1 1 19 6  56 o 33.627  2.7904 9.1615   1.4577  9.2412   2.2563  9.1044   1.9098  32.963  4.4827 33.100  3.7465 -0.1373596     5.842155 
1 1 1 19 6  57 o 12.809  4.8889 1.0928   1.3654  1.4034   2.0983  0.8647   1.7981  14.980  5.9607 13.327  5.4407 1.652818       8.070400 
1 1 1 19 6  58 o 36.167  2.7791 10.621   1.5637  9.3045   2.3674  11.640   2.0826  32.783  4.7446 37.451  3.5913 -4.667946      5.950463 
1 1 1 19 6  59 o 25.332  3.5975 5.3853   1.3885  4.7195   1.9502  6.0697   1.9773  22.743  5.5246 26.181  5.0000 -3.438173      7.451272 
1 1 1 19 6  60 o 29.932  2.9093 7.3391   1.3479  7.0040   2.0246  7.6059   1.8064  28.279  4.7341 29.958  3.9421 -1.678183      6.160530 
1 1 1 19 6  61 o 13.684  4.7878 1.5215   1.2666  1.6107   2.0575  1.4670   1.6072  15.109  5.9370 14.067  5.3196 1.042515       7.971607 
1 1 1 19 6  62 o 12.633  4.6583 1.1924   1.2166  0.7275   1.9408  1.4934   1.5615  13.228  5.5488 14.027  5.2565 -0.7986441     7.643273 
1 1 1 19 6  63 o 7.8195  3.6810 -1.0851  1.1625  -1.5726  1.7139  -0.6696  1.5820  9.3686  4.4283 10.003  4.5607 -0.6340609     6.356884 
1 1 1 19 6  64 o 49.354  2.0991 19.519   1.6241  19.690   2.5194  19.398   2.1243  48.683  3.3210 48.722  2.7930 -0.3853607E-01 4.339292 
1 1 1 19 6  65 f 8.0255  3.8203 -1.4255  1.3199  -2.9790  2.0510  -0.3274  1.7244  9.1601  4.4588 10.866  4.8760 -1.706107      6.607286 
1 1 1 19 6  66 o 20.589  3.9291 3.7103   1.2219  2.1195   1.8262  4.9998   1.6442  15.573  5.7124 23.553  4.6180 -7.980314      7.345576 
1 1 1 19 6  67 o 10.547  4.5152 0.2716   1.3301  -0.8684  1.8423  1.5128   1.9223  10.400  4.8072 14.269  5.6966 -3.869735      7.453926 
1 1 1 19 6  68 o 23.145  4.2368 4.8134   1.4806  5.8104   2.2155  4.0087   1.9904  24.093  5.9105 19.905  5.9326 4.187920       8.374372 
1 1 1 19 7  0  o 22.260  5.8109 4.6121   1.7522  4.6121   1.7522  4.6121   1.7522  22.260  5.8109 22.260  5.8109 0.000000       0.000000 
1 1 1 19 7  1  o 52.374  1.8689 21.532   1.5345  21.795   2.1766  21.273   2.1636  52.587  2.6488 51.951  2.6656 0.6360207      3.757865 
1 1 1 19 7  2  o 156.411 1.4985 191.940  3.6744  193.421  5.2027  190.466  5.1902  156.940 2.1147 155.735 2.1259 1.205032       2.998542 
1 1 1 19 7  3  o 104.886 1.4603 86.308   2.4010  85.000   3.3875  87.629   3.4037  104.040 2.0770 105.639 2.0553 -1.598816      2.921981 
1 1 1 19 7  4  o 133.534 1.4486 139.894  3.0325  143.104  4.3457  136.846  4.2337  134.997 2.0534 132.013 2.0458 2.983719       2.898564 
1 1 1 19 7  5  o 53.452  1.8411 22.428   1.5428  25.519   2.2170  19.525   2.1482  56.983  2.4818 49.751  2.7653 7.231598       3.715687 
1 1 1 19 7  6  o 15.064  4.8463 1.7500   1.2996  2.6861   1.9484  0.9996   1.7444  18.558  5.9301 14.135  5.4915 4.423281       8.082219 
1 1 1 19 7  7  o 91.425  1.5595 65.587   2.2352  66.737   3.4075  64.719   2.9613  92.158  2.3586 90.779  2.0808 1.379639       3.145256 
1 1 1 19 7  8  o 22.617  3.7001 4.1380   1.2666  3.6640   1.8195  4.5835   1.7642  21.087  5.4608 23.623  4.9235 -2.535839      7.352627 
1 1 1 19 7  9  o 29.785  2.7144 7.0350   1.2535  8.2118   1.7737  5.8606   1.7718  32.075  3.5888 26.892  4.3515 5.182789       5.640488 
1 1 1 19 7  10 o 33.956  2.5220 9.1149   1.3329  9.7989   1.8024  8.2892   1.9802  35.112  3.3137 32.152  4.0164 2.959576       5.206948 
1 1 1 19 7  11 o 60.265  1.7061 28.509   1.6119  27.336   2.2608  29.720   2.2986  58.969  2.4457 61.491  2.3845 -2.522110      3.415736 
1 1 1 19 7  12 o 69.797  1.6334 38.237   1.7872  38.084   2.6079  38.372   2.4541  69.604  2.3901 69.879  2.2402 -0.2749863     3.275814 
1 1 1 19 7  13 o 51.247  1.9188 20.625   1.5416  19.323   2.2119  21.854   2.1496  49.463  2.8648 52.710  2.6014 -3.246887      3.869719 
1 1 1 19 7  14 o 71.712  1.5607 40.362   1.7545  39.157   2.4818  41.565   2.4807  70.584  2.2429 72.728  2.1758 -2.143753      3.124855 
1 1 1 19 7  15 o 39.643  2.2263 12.391   1.3780  14.375   2.0760  10.829   1.8423  42.595  3.1309 36.925  3.2147 5.670662       4.487430 
1 1 1 19 7  16 o 73.357  1.5428 42.237   1.7742  40.817   2.4592  43.780   2.5623  72.064  2.1768 74.632  2.1900 -2.568115      3.087860 
1 1 1 19 7  17 o 101.529 1.4986 80.908   2.3852  78.890   3.2067  83.407   3.5687  100.198 2.0415 103.004 2.2101 -2.806549      3.008643 
1 1 1 19 7  18 o 71.179  1.7332 39.787   1.9340  43.576   2.5478  34.636   2.9708  74.450  2.1829 66.306  2.8581 8.144745       3.596339 
1 1 1 19 7  19 o 63.596  1.6881 31.760   1.6829  31.641   2.1138  31.966   2.7814  63.442  2.1253 63.701  2.7852 -0.2586632     3.503515 
1 1 1 19 7  20 o 79.685  1.5619 49.853   1.9511  49.541   2.4419  50.404   3.2447  79.397  1.9618 80.010  2.5869 -0.6127472     3.246643 
1 1 1 19 7  21 o 39.375  2.3175 12.240   1.4242  12.639   1.8151  11.602   2.2974  39.931  2.9198 38.077  3.9039 1.853859       4.875034 
1 1 1 19 7  22 o 69.718  1.7974 38.188   1.9645  35.970   2.5867  41.211   3.0196  67.595  2.4410 72.323  2.6633 -4.727501      3.612729 
1 1 1 19 7  23 o 64.417  1.7511 32.601   1.7683  33.275   2.5116  31.939   2.4901  65.005  2.4646 63.683  2.4942 1.321918       3.506507 
1 1 1 19 7  24 o 86.494  1.6785 58.771   2.2760  60.012   3.4790  57.843   3.0093  87.277  2.5427 85.734  2.2390 1.542610       3.388012 
1 1 1 19 7  25 f 74.096  1.7806 43.147   2.0683  41.789   3.0731  44.271   2.7964  72.800  2.6927 74.979  2.3791 -2.179283      3.593190 
1 1 1 19 7  26 o 16.160  4.8385 2.1128   1.3217  0.8815   1.9360  3.1876   1.8088  14.324  5.7174 19.650  5.5999 -5.325831      8.002979 
1 1 1 19 7  27 o 75.629  1.6643 44.943   1.9732  43.144   3.0979  46.172   2.5595  73.956  2.6720 76.595  2.1316 -2.638855      3.418085 
1 1 1 19 7  28 o 70.076  1.7085 38.595   1.8768  38.032   2.9390  38.982   2.4389  69.423  2.7005 70.363  2.2110 -0.9393692     3.490177 
1 1 1 19 7  29 o 74.382  1.6105 43.475   1.8779  43.408   2.7913  43.530   2.5382  74.212  2.3993 74.352  2.1776 -0.1406860     3.240145 
1 1 1 19 7  30 o 68.719  1.7117 37.123   1.8440  32.494   2.7957  40.688   2.4533  64.138  2.7804 71.878  2.1772 -7.739471      3.531463 
1 1 1 19 7  31 o 74.374  1.6027 43.474   1.8686  44.556   2.7686  42.568   2.5325  75.180  2.3491 73.510  2.1976 1.670372       3.216793 
1 1 1 19 7  32 o 83.842  1.5500 55.242   2.0373  55.656   2.7659  54.751   3.0122  84.065  2.0988 83.338  2.3056 0.7268600      3.117793 
1 1 1 19 7  33 o 57.905  1.7400 26.370   1.5795  25.303   2.1003  27.760   2.3965  56.639  2.3654 59.291  2.5782 -2.651871      3.498914 
1 1 1 19 7  34 o 34.625  2.3961 9.5042   1.2926  9.6824   1.8083  9.3179   1.8484  34.764  3.3600 34.063  3.5118 0.7010345      4.860228 
1 1 1 19 7  35 o 44.910  1.9090 15.878   1.3440  15.316   1.8600  16.492   1.9442  43.929  2.7141 45.586  2.7332 -1.657043      3.851853 
1 1 1 19 7  36 o 15.004  4.5505 1.8248   1.1635  3.1231   1.5988  0.3631   1.6965  19.308  5.1764 12.552  5.2203 6.755725       7.351605 
1 1 1 19 7  37 o 44.452  2.0255 15.570   1.4115  15.826   1.9153  15.266   2.0882  44.635  2.7506 43.766  3.0629 0.8696213      4.116706 
1 1 1 19 7  38 o 88.600  1.5722 61.734   2.1837  63.432   3.1013  60.063   3.0752  89.668  2.2062 87.243  2.2485 2.424454       3.150095 
1 1 1 19 7  39 o 13.382  4.6884 1.2987   1.2147  1.1762   1.6650  1.4381   1.7760  14.124  5.3970 14.979  5.6074 -0.8552904     7.782654 
1 1 1 19 7  40 o 6.8106  3.3387 -2.3637  1.2111  -2.5739  1.6273  -2.1027  1.8133  8.3677  4.0491 9.5209  4.5164 -1.153260      6.065703 
1 1 1 19 7  41 f 78.954  1.7736 49.096   2.1953  48.546   2.7729  50.020   3.5934  78.395  2.2563 79.381  2.8875 -0.9862366     3.664514 
1 1 1 19 7  42 o 66.692  1.8289 35.050   1.9121  33.597   2.3552  37.861   3.2751  65.192  2.3045 68.994  3.0280 -3.801987      3.805235 
1 1 1 19 7  43 o 53.135  2.0234 22.284   1.6854  23.514   2.1131  20.132   2.7942  54.490  2.4737 50.018  3.5873 4.471889       4.357513 
1 1 1 19 7  44 o 27.993  3.1901 6.3301   1.3749  7.6711   1.8644  4.7313   2.0358  30.619  3.9782 23.476  5.6085 7.143068       6.876129 
1 1 1 19 7  45 o 38.759  2.3822 11.946   1.4404  13.450   2.0663  10.523   2.0091  40.894  3.2499 36.031  3.6052 4.862682       4.853817 
1 1 1 19 7  46 o 64.207  1.7483 32.514   1.7598  32.253   2.4604  32.788   2.5180  63.756  2.4616 64.270  2.4991 -0.5141411     3.507872 
1 1 1 19 7  47 o 50.705  1.9102 20.311   1.5184  21.818   2.1019  18.667   2.1959  52.389  2.5593 48.276  2.9152 4.113422       3.879249 
1 1 1 19 7  48 o 39.916  2.2023 12.666   1.3728  15.764   1.9267  9.4719   1.9564  44.367  2.7843 34.037  3.7275 10.33012       4.652534 
1 1 1 19 7  49 o 33.078  2.8598 8.8105   1.4684  8.4100   2.2510  9.1072   1.9373  31.625  4.6819 33.313  3.7762 -1.688465      6.014963 
1 1 1 19 7  50 o 24.375  3.5547 4.9027   1.3184  4.7979   1.8529  5.0100   1.8762  23.521  5.1664 24.061  5.1307 -0.5395889     7.281223 
1 1 1 19 7  51 o 59.661  1.9610 28.206   1.8340  28.457   2.7877  28.014   2.4353  59.425  3.0022 59.204  2.6239 0.2203102      3.987207 
1 1 1 19 7  52 o 12.630  4.6940 1.0982   1.2402  1.3678   1.7592  0.8318   1.7486  14.411  5.5378 13.269  5.3851 1.141701       7.724406 
1 1 1 19 7  53 o 12.287  4.7023 0.9599   1.2652  0.3329   1.7342  1.6735   1.8500  12.257  5.1986 15.199  5.7164 -2.941080      7.726735 
1 1 1 19 7  54 o 26.906  3.1937 5.9522   1.3208  5.3250   1.8434  6.6138   1.8934  24.667  4.9394 27.788  4.5003 -3.120945      6.682106 
1 1 1 19 7  55 o 20.979  4.3853 3.8151   1.3958  0.2862   1.8186  8.8745   2.1775  12.334  5.2798 32.243  4.4245 -19.90945      6.888611 
1 1 1 19 7  56 o 7.8522  3.7565 -1.6211  1.3101  -2.3644  1.7753  -0.7323  1.9413  8.8918  4.2845 11.179  5.0797 -2.287531      6.645330 
1 1 1 19 7  57 o 39.704  2.5126 12.731   1.5559  10.793   2.1111  15.035   2.3019  35.862  3.8136 42.606  3.4767 -6.743923      5.160548 
1 1 1 19 7  58 o 12.402  4.7511 1.0360   1.2924  1.4817   1.8587  0.6190   1.7982  14.544  5.6635 12.744  5.3430 1.800498       7.786090 
1 1 1 19 7  59 o 22.454  4.1057 4.3582   1.3920  3.6621   1.9663  5.0574   1.9708  19.783  5.8967 23.472  5.4590 -3.688406      8.035631 
1 1 1 19 7  60 o 36.182  2.7919 10.693   1.5714  12.698   2.5488  9.4645   1.9958  38.433  4.3043 33.408  3.8832 5.024422       5.797085 
1 1 1 19 7  61 o 12.215  5.0423 0.6907   1.5660  -0.5611  2.4439  1.5626   2.0397  12.586  5.7113 14.885  5.8914 -2.299687      8.205355 
1 1 1 19 7  62 o 29.238  3.5915 7.2239   1.6115  8.0675   2.4410  6.5722   2.1456  29.625  5.4571 26.789  5.2966 2.835894       7.604901 
1 1 1 19 7  63 o 17.227  5.0107 2.7233   1.4345  6.0931   2.4835  1.0361   1.7573  24.862  6.3495 13.242  5.3893 11.62022       8.328291 
1 1 1 19 7  64 o 23.991  4.0483 5.0325   1.4684  4.8057   2.3900  5.1700   1.8610  21.781  6.5030 23.589  5.1748 -1.807863      8.310719 
1 1 1 19 7  65 o 23.042  3.8807 4.6384   1.3520  3.9911   2.4126  4.9347   1.6323  19.701  6.6167 23.300  4.6319 -3.599880      8.076882 
1 1 1 19 7  66 f 33.431  2.9623 9.3385   1.5364  11.939   2.3789  7.4774   2.0124  36.739  4.2062 28.661  4.6372 8.078222       6.260715 
1 1 1 19 8  0  o 23.119  5.5763 4.8759   1.7522  4.8759   1.7522  4.8759   1.7522  23.119  5.5763 23.119  5.5763 0.000000       0.000000 
1 1 1 19 8  1  o 75.002  1.5343 44.152   1.8041  44.254   2.5118  44.043   2.5928  75.042  2.1351 74.856  2.2095 0.1858597      3.072541 
1 1 1 19 8  2  o 35.875  2.3906 10.165   1.3368  11.718   1.9104  8.6757   1.8711  38.423  3.2008 32.942  3.6865 5.481129       4.882156 
1 1 1 19 8  3  o 93.069  1.4669 67.978   2.1402  73.434   3.1207  63.133   2.9408  96.674  2.0592 89.634  2.0929 7.039719       2.936018 
1 1 1 19 8  4  o 62.351  1.7318 30.525   1.6927  31.773   2.3137  29.088   2.4830  63.569  2.3217 60.799  2.6051 2.769306       3.489529 
1 1 1 19 8  5  o 46.805  2.0279 17.213   1.4880  16.659   2.2014  17.678   2.0191  45.873  3.0790 47.310  2.7340 -1.436546      4.117692 
1 1 1 19 8  6  o 51.697  1.8693 20.992   1.5150  21.165   2.1266  20.813   2.1588  51.792  2.6277 51.350  2.6911 0.4426460      3.761235 
1 1 1 19 8  7  o 9.0234  4.1042 -0.7791  1.2713  -0.3843  1.8926  -1.1038  1.7162  12.056  5.2722 10.396  4.7438 1.660297       7.092254 
1 1 1 19 8  8  o 87.204  1.4726 59.685   2.0131  62.658   2.9163  56.979   2.7823  89.290  2.0834 85.148  2.0844 4.142799       2.947066 
1 1 1 19 8  9  o 28.747  2.7413 6.5661   1.2204  6.2265   1.7489  6.8884   1.7039  27.741  4.1489 29.275  3.8025 -1.533762      5.627818 
1 1 1 19 8  10 o 55.672  1.7414 24.341   1.5198  24.839   2.1643  23.856   2.1346  56.186  2.4571 55.062  2.4730 1.124317       3.486151 
1 1 1 19 8  11 o 82.680  1.5029 53.661   1.9480  52.633   2.7333  54.723   2.7769  81.824  2.1308 83.433  2.1231 -1.609543      3.008000 
1 1 1 19 8  12 o 81.564  1.5600 52.230   1.9947  51.504   2.9345  52.853   2.7196  80.917  2.3134 81.993  2.1158 -1.076073      3.134982 
1 1 1 19 8  13 o 108.316 1.4851 92.100   2.5217  95.234   3.8038  89.643   3.3682  110.044 2.2049 106.794 2.0119 3.249321       2.984854 
1 1 1 19 8  14 o 77.359  1.5760 46.990   1.9112  45.866   2.8293  47.933   2.5920  76.345  2.3640 78.077  2.1177 -1.732048      3.173795 
1 1 1 19 8  15 o 104.166 1.4984 85.187   2.4468  86.396   3.6217  84.172   3.3188  104.803 2.2044 103.471 2.0460 1.332718       3.007576 
1 1 1 19 8  16 o 81.543  1.5747 52.215   2.0129  49.455   2.9037  54.769   2.7930  79.271  2.3366 83.449  2.1350 -4.178284      3.165102 
1 1 1 19 8  17 o 95.233  1.5056 71.211   2.2477  72.041   3.3037  70.496   3.0670  95.692  2.2023 94.681  2.0663 1.010437       3.019897 
1 1 1 19 8  18 o 22.730  3.4684 4.1791   1.1968  5.4799   1.7102  2.9308   1.6753  25.908  4.3660 18.884  5.3920 7.024311       6.938024 
1 1 1 19 8  19 o 93.722  1.4559 68.969   2.1390  68.173   2.9946  69.799   3.0565  93.100  2.0518 94.202  2.0697 -1.101166      2.914369 
1 1 1 19 8  20 o 40.089  2.1367 12.681   1.3380  11.369   1.8507  14.117   1.9365  37.799  3.1521 42.185  2.9467 -4.386158      4.314945 
1 1 1 19 8  21 o 52.023  1.7905 21.273   1.4602  21.528   2.0597  21.015   2.0705  52.264  2.5139 51.633  2.5580 0.6312866      3.586509 
1 1 1 19 8  22 o 41.893  2.0652 13.809   1.3563  16.489   1.9662  11.376   1.8732  45.629  2.7618 37.793  3.1916 7.836006       4.220675 
1 1 1 19 8  23 o 57.565  1.7082 26.044   1.5415  29.302   2.2323  23.075   2.1313  60.988  2.3348 54.099  2.5130 6.888943       3.430285 
1 1 1 19 8  24 o 116.488 1.4379 106.572  2.6258  107.175  3.7119  105.967  3.7151  116.703 2.0289 116.040 2.0422 0.6625061      2.878732 
1 1 1 19 8  25 o 59.136  1.7669 27.496   1.6380  25.389   2.1542  30.384   2.5221  56.749  2.4214 62.054  2.5926 -5.305382      3.547524 
1 1 1 19 8  26 o 47.516  1.9479 17.766   1.4510  20.093   2.0016  15.188   2.1065  50.401  2.5414 43.698  3.0950 6.703018       4.004696 
1 1 1 19 8  27 o 76.185  1.6559 45.627   1.9777  46.530   2.5394  44.236   3.1528  76.867  2.1074 74.838  2.6873 2.028358       3.415046 
1 1 1 19 8  28 o 85.721  1.6806 57.774   2.2585  55.603   2.7189  62.607   4.0563  84.029  2.0640 88.961  2.9086 -4.932167      3.566485 
1 1 1 19 8  29 o 15.732  4.6568 2.0199   1.2295  2.1913   1.5645  1.7430   1.9883  16.598  5.3149 16.169  5.9561 0.4298191      7.982687 
1 1 1 19 8  30 o 67.451  1.7256 35.785   1.8247  36.095   2.3393  35.304   2.9159  67.668  2.2052 66.811  2.7840 0.8567200      3.551580 
1 1 1 19 8  31 o 60.728  1.9123 29.035   1.8205  28.384   2.4007  29.915   2.7927  59.941  2.5548 61.468  2.8982 -1.526806      3.863482 
1 1 1 19 8  32 o 114.360 1.7363 102.896  3.1128  98.636   4.2249  107.955  4.6036  111.774 2.4112 116.900 2.5121 -5.125481      3.481973 
1 1 1 19 8  33 o 43.628  2.5554 15.094   1.7401  13.850   2.2290  17.037   2.7844  41.582  3.4506 46.021  3.8961 -4.438629      5.204420 
1 1 1 19 8  34 o 62.096  2.0801 30.397   2.0249  32.327   2.6739  27.802   3.1007  63.920  2.6684 59.023  3.3650 4.896530       4.294570 
1 1 1 19 8  35 o 13.685  5.1788 1.1381   1.5238  1.6492   1.8335  -0.0032  2.7398  15.588  5.7230 14.923  6.4357 0.6646757      8.612261 
1 1 1 19 8  36 o 42.291  2.5786 14.203   1.7014  15.531   2.0540  11.301   3.0369  44.136  2.9862 36.867  5.4161 7.269341       6.184762 
1 1 1 19 8  37 o 56.708  2.4528 25.431   2.1805  29.554   3.1163  21.477   3.0521  60.836  3.2797 51.666  3.7949 9.170528       5.015728 
1 1 1 19 8  38 o 59.682  2.2025 28.129   2.0607  31.043   2.7263  24.245   3.1474  62.559  2.7799 54.928  3.6764 7.630741       4.609083 
1 1 1 19 8  39 o 18.809  4.8492 2.9849   1.4390  1.6059   1.9862  4.5084   2.0876  15.732  5.9219 22.934  5.8022 -7.201521      8.290624 
1 1 1 19 8  40 o 43.685  2.3439 15.140   1.5993  14.964   2.3854  15.284   2.1555  43.092  3.5631 43.677  3.1696 -0.5842094     4.768898 
1 1 1 19 8  41 o 47.836  2.1025 18.079   1.5767  17.567   2.2825  18.546   2.1807  46.833  3.1268 48.196  2.8997 -1.363144      4.264377 
1 1 1 19 8  42 o 38.323  2.4956 11.695   1.4911  14.003   2.1443  9.5339   2.0748  41.715  3.3062 34.168  3.9460 7.546078       5.147995 
1 1 1 19 8  43 o 29.122  3.0518 6.8417   1.3726  7.6366   1.9745  6.0983   1.9094  30.402  4.2598 26.964  4.6872 3.437960       6.333728 
1 1 1 19 8  44 o 50.505  2.0236 20.169   1.6022  21.866   2.0643  17.598   2.5409  52.465  2.5099 46.655  3.4996 5.810329       4.306572 
1 1 1 19 8  45 o 15.007  4.8639 1.8280   1.3073  0.8007   1.6851  3.3807   2.0716  13.193  5.3100 19.808  6.0847 -6.615877      8.075902 
1 1 1 19 8  46 o 24.353  3.5788 4.8843   1.3256  6.1625   1.7278  3.0558   2.0666  27.192  4.1876 18.947  6.1128 8.245073       7.409619 
1 1 1 19 8  47 o 24.524  3.4939 4.9498   1.3052  3.7214   1.7231  6.6037   1.9993  20.668  5.2944 27.904  4.7401 -7.235500      7.106287 
1 1 1 19 8  48 o 14.936  5.0173 1.8004   1.3872  0.6053   1.9048  3.1502   2.0243  13.309  5.5330 19.049  6.0401 -5.739213      8.191248 
1 1 1 19 8  49 o 28.281  3.2118 6.5353   1.3987  6.9427   1.9112  6.0654   2.0524  28.681  4.3905 26.436  5.1374 2.244759       6.757855 
1 1 1 19 8  50 o 57.021  1.9422 25.792   1.7362  28.538   2.5116  23.279   2.4026  59.659  2.6855 53.730  2.8627 5.928410       3.925180 
1 1 1 19 8  51 o 30.032  2.9479 7.3422   1.3700  6.7239   1.9359  7.9624   1.9390  28.023  4.5636 30.766  4.1239 -2.742908      6.150871 
1 1 1 19 8  52 o 23.635  3.7552 4.6984   1.3448  4.6915   1.8762  4.7057   1.9287  22.910  5.3250 22.885  5.4533 0.2486038E-01  7.621929 
1 1 1 19 8  53 o 9.6406  4.2723 -0.2593  1.2817  -0.0178  1.8407  -0.4865  1.7858  11.892  5.2001 11.038  4.9569 0.8539524      7.184118 
1 1 1 19 8  54 o 24.262  3.6350 4.9524   1.3400  6.0395   1.9149  3.9094   1.8758  26.213  4.8382 20.647  5.6369 5.566200       7.428499 
1 1 1 19 8  55 f 21.475  4.2515 4.0052   1.3807  5.6669   1.9662  2.3890   1.9391  25.133  5.1630 16.678  5.9163 8.455519       7.852361 
1 1 1 19 8  56 o 35.613  2.7186 10.325   1.5063  11.240   2.1278  9.4062   2.1328  36.563  3.7661 33.152  4.1978 3.410694       5.639569 
1 1 1 19 8  57 o 31.803  2.9554 8.3127   1.4566  4.1876   2.1286  11.946   1.9976  20.977  6.1043 37.902  3.3981 -16.92496      6.986348 
1 1 1 19 8  58 o 12.509  4.7716 1.0935   1.3001  -0.1796  1.9532  2.1062   1.7420  11.815  5.2532 15.706  5.6037 -3.890429      7.681005 
1 1 1 19 8  59 o 8.8381  4.0747 -0.7817  1.3108  0.7784   1.9840  -1.9901  1.7461  13.337  5.6030 9.0449  4.3297 4.291702       7.080985 
1 1 1 19 8  60 o 13.611  4.9136 1.4982   1.3434  3.4117   2.0344  0.0187   1.7889  18.907  6.0615 11.592  5.0960 7.314814       7.919015 
1 1 1 19 8  61 o 17.508  4.7514 2.7927   1.3374  3.5267   1.9624  2.1561   1.8275  19.145  5.9289 15.741  5.7235 3.404092       8.240814 
1 1 1 19 8  62 o 9.0871  4.2129 -0.8805  1.4304  -0.0315  2.0285  -1.7202  2.0173  12.043  5.3539 10.074  4.7743 1.968694       7.173466 
1 1 1 19 8  63 o 30.170  3.6368 7.8035   1.6854  7.4413   2.2133  8.3033   2.6002  28.278  5.1838 29.273  5.8705 -0.9944172     7.831589 
1 1 1 19 8  64 o 17.109  5.2757 2.8066   1.5556  2.9337   2.0173  2.6200   2.4435  17.266  6.0423 16.717  6.4982 0.5484772      8.873294 
1 1 1 19 9  0  o 125.585 2.2129 123.926  4.3536  123.926  4.3536  123.926  4.3536  125.585 2.2129 125.585 2.2129 0.000000       0.000000 
1 1 1 19 9  1  o 58.079  1.8654 26.509   1.6985  24.984   2.3558  28.159   2.4511  56.308  2.6687 59.785  2.6152 -3.477036      3.736510 
1 1 1 19 9  2  o 67.826  1.7486 36.142   1.8593  32.798   2.5768  39.773   2.6854  64.530  2.5472 71.079  2.4099 -6.549225      3.506592 
1 1 1 19 9  3  o 49.815  2.0944 19.515   1.6356  20.241   2.2123  18.640   2.4290  50.592  2.8003 48.473  3.2147 2.118763       4.263356 
1 1 1 19 9  4  o 16.006  4.7860 2.0671   1.2938  3.1832   1.8438  0.9844   1.8159  19.684  5.6678 14.228  5.5819 5.455379       7.954934 
1 1 1 19 9  5  o 11.221  4.5792 0.3825   1.2732  -0.6879  1.7733  1.5212   1.8291  11.159  4.9804 15.434  5.7075 -4.274178      7.575023 
1 1 1 19 9  6  o 63.154  1.8918 31.349   1.8730  30.246   2.8086  32.232   2.5135  61.919  2.8934 63.971  2.5063 -2.052475      3.828012 
1 1 1 19 9  7  o 36.278  2.5057 10.415   1.4163  9.5972   2.0266  11.196   1.9801  34.597  3.7993 37.474  3.4078 -2.877251      5.103660 
1 1 1 19 9  8  o 32.928  2.7001 8.6039   1.3815  7.8589   1.9608  9.3383   1.9468  31.199  4.1089 34.139  3.6966 -2.940186      5.527013 
1 1 1 19 9  9  o 13.952  4.9273 1.3673   1.3436  0.8494   1.8089  2.0047   2.0067  13.923  5.5362 16.887  6.0155 -2.963942      8.175353 
1 1 1 19 9  10 o 36.138  2.4443 10.332   1.3766  10.970   1.9262  9.6669   1.9681  37.094  3.3485 34.741  3.6692 2.353264       4.967423 
1 1 1 19 9  11 o 15.409  4.7747 1.8919   1.2724  3.8850   1.8245  0.0045   1.7755  21.588  5.4038 12.241  5.2278 9.347910       7.518642 
1 1 1 19 9  12 o 41.872  2.2515 13.841   1.4725  14.103   2.0134  13.540   2.1591  42.141  3.0689 41.231  3.3698 0.9094124      4.557752 
1 1 1 19 9  13 o 53.426  1.9360 22.446   1.6215  24.454   2.3410  20.594   2.2481  55.683  2.6818 51.006  2.8225 4.676865       3.893338 
1 1 1 19 9  14 o 45.260  2.1324 16.121   1.5130  15.040   2.1072  17.271   2.1738  43.510  3.1098 46.664  2.9872 -3.153980      4.312115 
1 1 1 19 9  15 o 22.099  3.7506 3.9798   1.2529  3.3306   1.7477  4.6661   1.7970  20.016  5.4314 23.709  4.9927 -3.692469      7.377436 
1 1 1 19 9  16 o 90.779  1.5839 64.744   2.2540  65.353   3.1865  64.134   3.1888  91.102  2.2312 90.244  2.2540 0.8576660      3.171565 
1 1 1 19 9  17 o 26.519  3.2256 5.6459   1.3134  8.2386   1.8849  3.1992   1.8310  31.979  3.8363 19.666  5.6440 12.31396       6.824380 
1 1 1 19 9  18 o 122.050 1.5034 117.018  2.8766  114.683  3.8481  119.976  4.3309  120.717 2.0334 123.420 2.2384 -2.702370      3.024091 
1 1 1 19 9  19 o 55.626  1.8118 24.333   1.5799  25.589   2.1826  22.950   2.2899  56.967  2.4440 53.845  2.7216 3.122208       3.657928 
1 1 1 19 9  20 o 133.008 1.4567 138.970  3.0374  139.676  4.0001  138.010  4.6679  133.241 1.9150 132.350 2.2498 0.8909607      2.954472 
1 1 1 19 9  21 o 28.527  2.6737 6.4817   1.1818  6.3204   1.5389  6.7136   1.8450  27.988  3.5901 28.710  4.2258 -0.7215881     5.544885 
1 1 1 19 9  22 o 58.967  1.6700 27.337   1.5438  27.428   2.0467  27.216   2.3512  58.999  2.2129 58.719  2.5542 0.2801361      3.379473 
1 1 1 19 9  23 o 31.609  2.5220 7.9359   1.2393  8.1456   1.6277  7.6467   1.9117  31.879  3.3049 30.700  4.0727 1.179522       5.244900 
1 1 1 19 9  24 o 40.192  2.1058 12.761   1.3222  13.855   1.7331  11.237   2.0451  41.792  2.6592 37.440  3.5259 4.352203       4.416261 
1 1 1 19 9  25 o 123.533 1.4608 119.915  2.8290  122.165  3.7129  116.800  4.3681  124.579 1.9011 121.697 2.2896 2.882088       2.976021 
1 1 1 19 9  26 o 22.172  3.7487 4.0211   1.2566  4.2490   1.6199  3.6768   1.9911  22.582  4.7276 20.915  5.8458 1.666517       7.518178 
1 1 1 19 9  27 o 58.121  1.9154 26.599   1.7452  27.015   2.1235  25.732   3.0634  58.513  2.3149 56.776  3.4583 1.736816       4.161565 
1 1 1 19 9  28 o 72.286  1.8763 41.141   2.1262  41.951   2.6652  39.722   3.5263  72.906  2.3319 70.733  3.1801 2.172638       3.943491 
1 1 1 19 9  29 o 29.865  3.0203 7.1442   1.3946  7.8677   1.7270  5.7878   2.3645  31.224  3.5937 26.101  5.9154 5.122450       6.921437 
1 1 1 19 9  30 o 23.577  3.8141 4.5484   1.3616  5.3062   1.6270  2.7771   2.4874  25.397  4.2356 19.119  6.7085 6.277834       7.933766 
1 1 1 19 9  31 o 51.671  1.9961 21.043   1.6169  22.493   2.0829  18.845   2.5650  53.340  2.4909 48.534  3.3926 4.805500       4.208827 
1 1 1 19 9  32 o 34.352  2.7287 9.4051   1.4573  8.2248   1.8825  11.170   2.3022  31.840  3.8497 37.121  4.0204 -5.280760      5.566317 
1 1 1 19 9  33 o 10.999  4.4655 0.4321   1.2029  1.7862   1.6971  -0.9352  1.7054  15.633  5.5360 10.469  4.7585 5.164164       7.300019 
1 1 1 19 9  34 o 24.143  3.9495 4.7909   1.4431  3.7372   1.8118  6.6195   2.3868  20.973  5.4580 27.937  5.6441 -6.963299      7.851441 
1 1 1 19 9  35 o 31.047  2.9031 7.7214   1.3966  6.7484   1.7861  9.2524   2.2403  28.697  4.0856 33.596  4.3564 -4.898762      5.972436 
1 1 1 19 9  36 o 32.727  2.8160 8.5666   1.4307  8.5849   1.7293  8.5270   2.5466  32.604  3.4350 31.883  5.2800 0.7216892      6.299016 
1 1 1 19 9  37 o 19.740  4.3705 3.2722   1.3168  3.9971   1.5791  1.6173   2.3859  21.761  4.7611 16.513  6.4203 5.248581       7.993024 
1 1 1 19 9  38 o 26.046  3.5342 5.5311   1.4058  6.2812   1.6951  3.8786   2.5158  27.635  4.0314 21.329  6.7304 6.306126       7.845372 
1 1 1 19 9  39 o 24.746  3.8240 5.0404   1.4357  3.9631   1.7313  7.4116   2.5687  21.525  5.1910 29.382  5.7825 -7.857250      7.770740 
1 1 1 19 9  40 o 35.714  2.6923 10.201   1.4963  9.9097   1.9883  10.580   2.2721  34.896  3.6905 35.917  4.1093 -1.020485      5.523211 
1 1 1 19 9  41 o 34.225  2.8604 9.4051   1.5206  8.0906   2.2227  10.562   2.0849  31.094  4.7072 35.988  3.7507 -4.893942      6.018717 
1 1 1 19 9  42 o 24.201  3.6888 4.8305   1.3552  2.2671   1.8479  7.8139   1.9935  16.852  5.7895 30.688  4.2586 -13.83648      7.187061 
1 1 1 19 9  43 o 79.915  1.7055 50.413   2.1367  53.421   3.0814  47.627   2.9654  81.984  2.3975 77.390  2.4442 4.594254       3.423779 
1 1 1 19 9  44 o 25.262  3.5128 5.2495   1.3535  5.4298   1.8721  5.0520   1.9591  25.176  4.9198 24.108  5.3258 1.067795       7.250393 
1 1 1 19 9  45 o 36.028  2.6144 10.417   1.4666  10.877   1.8594  9.6588   2.3858  36.582  3.2769 33.872  4.6131 2.710190       5.658530 
1 1 1 19 9  46 o 13.979  4.9655 1.4856   1.3664  1.6981   1.7425  1.1463   2.2019  15.163  5.5774 14.929  6.0484 0.2341576      8.227403 
1 1 1 19 9  47 o 70.937  1.9951 39.935   2.2187  39.958   3.1346  39.913   3.1408  70.516  2.8356 70.471  2.8430 0.4437256E-01  4.015366 
1 1 1 19 9  48 o 18.670  4.8100 3.0503   1.4165  3.1455   1.8825  2.9261   2.1506  18.823  5.8034 18.372  6.2468 0.4507713      8.526569 
1 1 1 19 9  49 o 17.623  4.9758 2.7331   1.4350  0.9910   1.8799  5.1651   2.2212  13.785  5.5873 23.763  5.9701 -9.978813      8.176825 
1 1 1 19 9  50 o 39.048  2.5086 12.286   1.5275  12.617   2.1337  11.937   2.1878  39.067  3.5217 37.874  3.7333 1.193325       5.132273 
1 1 1 19 9  51 o 24.079  3.8691 4.9175   1.4110  4.8998   1.9931  4.9354   1.9980  23.189  5.5555 23.276  5.5530 -0.8691788E-01 7.854924 
1 1 1 19 9  52 o 30.446  3.0763 7.6263   1.4482  7.7366   2.0607  7.5186   2.0356  29.879  4.5426 29.439  4.5580 0.4400330      6.435154 
1 1 1 19 9  53 o 16.951  4.8877 2.5673   1.3703  4.8007   1.9556  0.4130   1.9207  22.842  5.5221 12.685  5.4280 10.15733       7.743175 
1 1 1 19 9  54 o 43.962  2.3207 15.569   1.5937  12.917   2.2143  18.418   2.2955  39.265  3.6387 47.330  3.1112 -8.064362      4.787399 
1 1 1 19 9  55 o 11.274  4.7252 0.4375   1.4056  0.9652   1.9034  -0.1953  2.0844  13.524  5.5682 12.143  5.4111 1.380524       7.764321 
1 1 1 19 9  56 o 40.643  2.5011 13.396   1.5859  15.415   2.4019  11.836   2.1115  42.858  3.6086 37.502  3.6373 5.355186       5.123645 
1 1 1 19 9  57 o 42.406  2.3591 14.539   1.5621  17.011   2.3889  12.692   2.0646  45.160  3.3992 38.968  3.4141 6.191872       4.817786 
1 1 1 19 9  58 o 18.220  4.7447 3.0176   1.3686  3.4869   2.0875  2.6637   1.8125  19.022  6.1444 17.006  5.7350 2.016487       8.404954 
1 1 1 19 9  59 o 27.285  3.5127 6.3173   1.4676  6.4640   2.2112  6.2018   1.9621  26.208  5.5544 26.086  4.9795 0.1217060      7.459710 
1 1 1 19 9  60 o 9.8639  4.3940 -0.2075  1.3733  1.0841   2.0894  -1.1898  1.8222  13.843  5.7783 10.012  4.6798 3.831124       7.435693 
1 1 1 19 9  61 o 12.074  4.8096 0.9446   1.3675  1.5815   2.0557  0.4392   1.8314  14.570  5.8647 12.170  5.2551 2.399944       7.874703 
1 1 1 19 9  62 o 19.796  4.7589 3.6609   1.4587  5.1348   2.0889  2.2581   2.0378  22.671  5.8412 15.752  5.9822 6.918667       8.360988 
1 1 1 19 9  63 o 15.891  5.1418 2.4206   1.4613  2.8077   2.2742  2.1483   1.9072  16.781  6.3324 15.282  5.7912 1.499117       8.581181 
1 1 1 19 10 0  o 108.293 2.2250 92.215   3.7737  92.215   3.7737  92.215   3.7737  108.293 2.2250 108.293 2.2250 0.000000       0.000000 
1 1 1 19 10 1  f 67.959  1.7515 36.305   1.8660  36.160   2.6214  36.455   2.6570  67.726  2.4690 67.999  2.4925 -0.2723465     3.508303 
1 1 1 19 10 2  o 52.707  1.9919 21.856   1.6458  20.300   2.2864  23.530   2.3710  50.611  2.8938 54.521  2.7833 -3.909916      4.015069 
1 1 1 19 10 3  o 101.055 1.5884 80.237   2.5164  76.508   3.4676  84.386   3.6573  98.562  2.2442 103.510 2.2538 -4.948288      3.180628 
1 1 1 19 10 4  f 82.335  1.7101 53.284   2.2073  54.790   3.3185  52.090   2.9559  83.351  2.5397 81.312  2.3189 2.038658       3.439097 
1 1 1 19 10 5  o 96.707  1.5853 73.482   2.4035  71.520   3.3436  75.580   3.4573  95.293  2.2382 97.958  2.2513 -2.664597      3.174575 
1 1 1 19 10 6  o 63.002  1.9409 31.225   1.9170  30.256   2.8777  31.999   2.5703  61.866  2.9671 63.690  2.5743 -1.823505      3.928205 
1 1 1 19 10 7  o 55.168  1.9302 23.942   1.6693  23.665   2.3902  24.207   2.3325  54.668  2.7983 55.378  2.6868 -0.7099991     3.879368 
1 1 1 19 10 8  o 53.401  1.9562 22.437   1.6376  22.240   2.3519  22.621   2.2816  52.982  2.8419 53.457  2.7317 -0.4746437     3.941930 
1 1 1 19 10 9  o 39.584  2.3208 12.390   1.4339  13.378   1.8556  10.924   2.2589  41.040  2.9029 36.840  3.9744 4.200806       4.921620 
1 1 1 19 10 10 o 38.746  2.2681 11.868   1.3716  12.742   1.8888  10.894   1.9951  40.021  3.0331 36.894  3.4910 3.126133       4.624603 
1 1 1 19 10 11 o 71.623  1.6184 40.317   1.8171  40.035   2.4543  40.660   2.7032  71.291  2.1961 71.811  2.4013 -0.5200729     3.254040 
1 1 1 19 10 12 o 57.738  1.7562 26.215   1.5896  23.942   2.0936  29.307   2.4425  55.099  2.4238 60.940  2.5567 -5.840672      3.523010 
1 1 1 19 10 13 o 59.269  1.8367 27.633   1.7066  25.761   2.3655  29.665   2.4644  57.118  2.6418 61.306  2.5642 -4.188217      3.681638 
1 1 1 19 10 14 o 26.025  3.1651 5.4425   1.2647  3.8319   1.7056  7.4095   1.8849  21.392  5.1483 30.216  4.0838 -8.824322      6.571369 
1 1 1 19 10 15 o 28.494  2.8980 6.4873   1.2765  5.6584   1.7531  7.4226   1.8623  26.252  4.4166 30.253  4.0268 -4.000441      5.976748 
1 1 1 19 10 16 o 87.796  1.5328 60.578   2.1096  61.321   2.8724  59.707   3.1085  88.236  2.0766 87.024  2.2785 1.211609       3.082846 
1 1 1 19 10 17 o 27.656  3.0254 6.1278   1.2903  6.7846   1.7665  5.3767   1.8892  28.897  4.0074 25.439  4.9150 3.457041       6.341699 
1 1 1 19 10 18 o 149.523 1.6308 175.788  3.8227  176.857  5.3677  174.688  5.4454  149.753 2.2864 148.813 2.3342 0.9404755      3.267462 
1 1 1 19 10 19 o 51.574  2.2093 20.971   1.7862  21.813   2.2540  19.549   2.9286  52.446  2.7511 49.373  3.8133 3.072472       4.702068 
1 1 1 19 10 20 o 34.902  2.8159 9.7016   1.5276  9.3735   1.9342  10.246   2.4904  34.113  3.6747 35.429  4.5920 -1.315655      5.881309 
1 1 1 19 10 21 o 73.944  1.8988 43.051   2.2011  41.773   2.7714  45.234   3.6225  72.734  2.4305 75.526  3.0596 -2.791138      3.907475 
1 1 1 19 10 22 o 72.744  2.1433 41.722   2.4442  42.218   3.3919  41.186   3.5253  72.981  2.9647 72.040  3.1215 0.9408264      4.305005 
1 1 1 19 10 23 o 46.283  2.2443 16.901   1.6283  16.715   2.2140  17.120   2.4033  45.791  3.1025 46.285  3.3345 -0.4936943     4.554625 
1 1 1 19 10 24 o 48.015  2.0887 18.176   1.5722  16.914   2.1937  19.509   2.2544  46.069  3.0548 49.525  2.9166 -3.456299      4.223540 
1 1 1 19 10 25 o 43.476  2.2427 14.957   1.5233  13.602   2.1113  16.428   2.2001  41.227  3.2942 45.378  3.1115 -4.151398      4.531340 
1 1 1 19 10 26 o 56.328  2.0034 25.010   1.7691  23.964   2.3680  26.331   2.6612  55.003  2.7463 57.533  2.9607 -2.529884      4.038271 
1 1 1 19 10 27 o 55.422  1.9403 24.206   1.6858  25.117   2.1739  22.833   2.6699  56.362  2.4604 53.488  3.1987 2.873604       4.035493 
1 1 1 19 10 28 o 60.956  1.7690 29.259   1.6904  30.628   2.1081  26.794   2.8293  62.295  2.1587 57.968  3.1249 4.326412       3.798008 
1 1 1 19 10 29 o 51.049  1.9602 20.547   1.5687  20.514   1.9353  20.609   2.6785  50.930  2.4240 50.726  3.3878 0.2038460      4.165636 
1 1 1 19 10 30 o 79.619  1.6072 49.891   2.0061  50.798   2.5076  48.279   3.3434  80.252  1.9932 78.023  2.7334 2.228821       3.382979 
1 1 1 19 10 31 o 80.519  1.6152 51.035   2.0388  53.607   2.5917  46.859   3.3023  82.429  2.0056 76.849  2.7412 5.580048       3.396526 
1 1 1 19 10 32 o 55.974  1.8509 24.701   1.6241  25.656   2.0306  23.006   2.7058  56.962  2.2740 53.610  3.2347 3.351898       3.954008 
1 1 1 19 10 33 o 16.180  4.4838 2.1903   1.1766  1.4561   1.5646  3.1460   1.7851  14.491  5.2918 19.269  5.5852 -4.777882      7.694007 
1 1 1 19 10 34 o 56.626  1.8282 25.288   1.6229  26.412   2.0755  23.520   2.6034  57.770  2.2917 54.225  3.0753 3.544743       3.835244 
1 1 1 19 10 35 o 72.412  1.6403 41.313   1.8621  41.145   2.4981  41.522   2.7933  72.114  2.2097 72.361  2.4624 -0.2475891     3.308481 
1 1 1 19 10 36 o 47.871  1.9579 18.102   1.4693  18.289   1.8979  17.821   2.3212  47.930  2.5349 47.110  3.1614 0.8204765      4.052189 
1 1 1 19 10 37 o 9.7988  4.2285 -0.0544  1.1842  -1.0754  1.5269  1.4872   1.8762  9.5326  4.3959 15.126  5.7411 -5.593718      7.230745 
1 1 1 19 10 38 o 15.520  4.7315 2.0034   1.2556  1.9886   1.5375  2.0329   2.1755  15.759  5.2821 16.796  6.2220 -1.036839      8.161759 
1 1 1 19 10 39 o 33.217  2.6568 8.8458   1.3719  8.3203   1.8629  9.4685   2.0280  31.838  3.8080 33.962  3.8787 -2.124275      5.435515 
1 1 1 19 10 40 o 36.369  2.4244 10.564   1.3743  10.240   1.7874  11.033   2.1495  35.545  3.2435 36.691  3.7917 -1.146011      4.989672 
1 1 1 19 10 41 o 14.745  4.7498 1.7835   1.2481  2.6035   1.6249  0.6036   1.9492  17.469  5.3926 13.450  5.5947 4.019045       7.770513 
1 1 1 19 10 42 o 13.991  4.8298 1.5285   1.2868  3.6030   1.6038  -2.2204  2.1559  20.346  5.0515 10.423  4.9387 9.922575       7.064599 
1 1 1 19 10 43 o 14.337  5.0028 1.6065   1.3824  2.5747   1.6496  -0.6766  2.5333  17.319  5.4480 13.109  5.8940 4.209842       8.026161 
1 1 1 19 10 44 o 14.916  5.0364 1.8133   1.3978  1.5704   1.8533  2.1339   2.1290  15.013  5.7041 16.653  6.1579 -1.639560      8.393803 
1 1 1 19 10 45 o 26.405  3.7206 5.8139   1.4974  5.5874   1.9392  6.1482   2.3565  25.265  5.0722 26.096  5.8989 -0.8308468     7.779765 
1 1 1 19 10 46 o 16.254  5.1735 2.2775   1.4840  0.8212   2.1479  3.6077   2.0528  14.085  5.8671 19.929  6.0443 -5.844485      8.423610 
1 1 1 19 10 47 o 52.603  2.1958 22.090   1.8108  21.765   2.7168  22.349   2.4290  51.481  3.3852 52.445  2.9665 -0.9645119     4.501056 
1 1 1 19 10 48 o 18.312  5.0015 2.9942   1.4763  3.6994   2.2415  2.4539   1.9620  19.951  6.3590 16.920  5.9566 3.031952       8.713048 
1 1 1 19 10 49 o 31.446  3.2514 8.1748   1.5797  9.5702   2.3497  7.0240   2.1339  33.215  4.6392 28.156  5.0184 5.059013       6.834198 
1 1 1 19 10 50 o 34.566  3.0007 9.8076   1.6099  10.297   2.4014  9.4077   2.1697  34.461  4.5569 33.103  4.2812 1.357407       6.252556 
1 1 1 19 10 51 o 23.166  4.0950 4.6388   1.4327  4.4476   2.0071  4.8374   2.0458  21.770  5.7832 22.742  5.7383 -0.9716511     8.146993 
1 1 1 19 10 52 o 28.078  3.4185 6.6082   1.4736  8.1779   2.1327  5.1741   2.0385  30.534  4.5981 23.565  5.6006 6.968567       7.246342 
1 1 1 19 10 53 o 15.758  5.1241 2.2107   1.4502  4.2627   2.0537  0.1697   2.0482  21.116  5.9494 12.523  5.4804 8.593068       8.088888 
1 1 1 19 10 54 o 37.765  2.8740 11.714   1.6887  11.960   2.2676  11.408   2.5303  37.447  3.9209 36.051  4.5806 1.395271       6.029473 
1 1 1 19 10 55 o 14.484  5.1338 1.7760   1.4598  0.8427   2.0221  2.7917   2.1097  13.449  5.6538 17.394  6.1709 -3.944635      8.369323 
1 1 1 19 10 56 o 14.003  5.0675 1.6232   1.4301  0.8147   1.9858  2.4944   2.0614  13.282  5.5941 16.646  6.0748 -3.364366      8.258152 
1 1 1 19 10 57 o 21.993  4.4879 4.3449   1.4949  4.8155   2.1018  3.8630   2.1267  22.198  5.9280 19.756  6.1810 2.441677       8.564252 
1 1 1 19 10 58 o 20.250  4.6830 3.7610   1.4570  5.5096   2.2778  2.5499   1.8955  23.504  6.1211 16.525  5.8508 6.979000       8.467566 
1 1 1 19 10 59 o 32.046  3.2595 8.6793   1.6147  7.0910   2.4653  9.8725   2.1368  26.715  6.0297 33.469  4.1625 -6.753963      7.326899 
1 1 1 19 10 60 o 35.979  2.8981 10.804   1.6208  13.378   2.3982  8.6403   2.1990  39.060  3.9718 30.682  4.7234 8.378580       6.171343 
1 1 1 19 10 61 o 25.626  3.9390 5.8401   1.5317  6.5171   2.2725  5.2763   2.0736  25.391  5.8319 22.786  5.7924 2.604637       8.219686 
1 1 1 19 11 0  o 123.369 2.2566 119.704  4.3610  119.704  4.3610  119.704  4.3610  123.369 2.2566 123.369 2.2566 0.000000       0.000000 
1 1 1 19 11 1  o 30.380  2.9490 7.3737   1.3868  6.6301   1.9793  8.0908   1.9436  28.401  4.6031 31.596  4.0147 -3.194412      6.107825 
1 1 1 19 11 2  o 26.183  3.4877 5.5410   1.3960  4.6203   1.8281  6.8289   2.1621  23.496  5.1086 28.727  4.9816 -5.230677      7.135439 
1 1 1 19 11 3  o 15.498  4.9504 1.9053   1.3579  3.2960   1.9941  0.7027   1.8543  19.934  5.9374 13.684  5.5482 6.249846       8.126202 
1 1 1 19 11 4  o 101.930 1.5239 81.660   2.4351  81.186   3.2910  82.233   3.6198  101.518 2.0679 102.121 2.2611 -0.6029968     3.064100 
1 1 1 19 11 5  o 42.484  2.1145 14.221   1.4082  12.712   1.8806  16.148   2.1249  39.946  3.0255 45.049  3.0264 -5.102131      4.279292 
1 1 1 19 11 6  o 106.915 1.5168 89.842   2.5422  88.250   3.4090  91.837   3.8158  105.843 2.0545 107.918 2.2555 -2.074791      3.050941 
1 1 1 19 11 7  o 51.878  1.9057 21.187   1.5499  23.207   2.1399  18.959   2.2477  54.207  2.5182 48.842  2.9495 5.365536       3.878234 
1 1 1 19 11 8  o 81.118  1.6402 51.744   2.0858  53.302   2.9700  50.229   2.9298  82.200  2.3048 79.787  2.3423 2.412781       3.286123 
1 1 1 19 11 9  o 36.154  2.7597 10.399   1.5523  11.185   2.0647  9.3774   2.3542  37.323  3.5724 33.886  4.5464 3.436897       5.782015 
1 1 1 19 11 10 o 65.938  2.0935 34.263   2.1640  37.241   2.8875  30.447   3.2686  68.625  2.6840 61.801  3.3866 6.823441       4.321255 
1 1 1 19 11 11 o 43.818  2.5794 15.226   1.7640  17.182   2.3500  12.701   2.6699  46.405  3.2509 39.561  4.3784 6.844307       5.453316 
1 1 1 19 11 12 o 74.836  2.1821 44.161   2.5600  42.371   3.5246  46.160   3.7244  73.088  3.0761 76.274  3.1147 -3.185829      4.377679 
1 1 1 19 11 13 o 41.520  2.8714 13.718   1.8575  11.924   2.4724  16.043   2.8145  38.366  4.1784 44.596  4.0706 -6.230492      5.833394 
1 1 1 19 11 14 f 47.617  2.8356 18.019   2.1071  15.542   2.6147  22.609   3.5587  43.954  3.8330 52.903  4.3289 -8.948948      5.781984 
1 1 1 19 11 15 o 40.906  2.6234 13.288   1.6734  11.903   2.2922  14.867   2.4487  38.412  3.8586 43.025  3.6655 -4.612164      5.322077 
1 1 1 19 11 16 o 36.512  2.6246 10.598   1.4922  11.257   2.0038  9.7786   2.2359  37.447  3.4522 34.679  4.1982 2.768040       5.435330 
1 1 1 19 11 17 o 11.254  4.6301 0.3628   1.3147  2.6181   1.7848  -2.3130  1.9440  17.943  5.6696 9.8009  4.6570 8.141867       7.337048 
1 1 1 19 11 18 o 15.438  4.9119 1.9062   1.3379  1.6747   1.7505  2.2314   2.0745  15.482  5.6059 17.340  6.1227 -1.857948      8.301423 
1 1 1 19 11 19 o 11.950  4.6996 0.6996   1.2903  3.5530   1.7006  -3.1711  1.9807  20.510  5.2629 9.1790  4.4479 11.33109       6.890715 
1 1 1 19 11 20 o 36.946  2.5246 10.846   1.4534  11.390   1.8852  10.049   2.2821  37.708  3.2200 35.125  4.2295 2.583370       5.315752 
1 1 1 19 11 21 o 31.717  2.7625 8.0314   1.3598  10.557   1.8657  5.1690   1.9861  36.264  3.3186 24.747  5.2805 11.51725       6.236713 
1 1 1 19 11 22 o 60.975  1.7859 29.281   1.7072  29.214   2.2926  29.365   2.5577  60.787  2.4058 60.881  2.6799 -0.9340286E-01 3.601308 
1 1 1 19 11 23 o 27.649  3.0451 6.1471   1.2980  6.2893   1.7551  5.9754   1.9284  27.676  4.1751 26.786  4.7670 0.8893280      6.336869 
1 1 1 19 11 24 o 59.050  1.8218 27.474   1.6865  26.516   2.2593  28.678   2.5343  57.882  2.4899 60.148  2.6877 -2.265888      3.663843 
1 1 1 19 11 25 o 31.812  2.7969 8.0920   1.3807  5.3724   1.8169  11.809   2.1240  25.352  4.7460 38.263  3.5827 -12.91109      5.946462 
1 1 1 19 11 26 o 47.851  2.0427 18.072   1.5323  18.731   1.9228  16.925   2.5367  48.562  2.5345 45.860  3.5563 2.701687       4.366988 
1 1 1 19 11 27 o 70.385  1.6043 39.002   1.7702  39.536   2.3218  38.261   2.7356  70.756  2.0932 69.492  2.5111 1.263763       3.269089 
1 1 1 19 11 28 o 48.792  1.9602 18.787   1.4994  18.145   1.9475  19.721   2.3495  47.758  2.6111 49.669  3.0320 -1.910587      4.001297 
1 1 1 19 11 29 o 44.916  1.9947 15.929   1.4045  14.557   1.7997  18.067   2.2463  42.728  2.7007 47.520  3.0312 -4.792007      4.059782 
1 1 1 19 11 30 o 34.088  2.4705 9.2603   1.3112  11.711   1.7355  6.0002   2.0016  38.239  2.9170 26.672  4.9700 11.56739       5.762764 
1 1 1 19 11 31 o 45.765  2.0061 16.548   1.4393  16.244   1.9040  16.953   2.1986  45.120  2.7042 45.984  3.0675 -0.8632240     4.089323 
1 1 1 19 11 32 o 37.122  2.4348 10.978   1.4091  11.594   1.7818  9.9511   2.3023  37.992  3.0165 34.733  4.3217 3.258583       5.270339 
1 1 1 19 11 33 o 59.472  1.7337 27.903   1.6164  26.029   2.0958  30.655   2.5393  57.291  2.3335 62.083  2.6091 -4.792282      3.500367 
1 1 1 19 11 34 o 14.455  4.6714 1.6891   1.2065  1.2220   1.5919  2.3196   1.8493  13.886  5.2840 16.993  5.7926 -3.106631      7.840617 
1 1 1 19 11 35 o 21.261  3.8938 3.7733   1.2500  3.1675   1.6325  4.6320   1.9435  19.162  5.2700 23.086  5.4563 -3.924511      7.585765 
1 1 1 19 11 36 o 33.208  2.5941 8.8393   1.3398  9.7785   1.7533  7.5211   2.0770  34.724  3.2590 29.919  4.5736 4.804882       5.615952 
1 1 1 19 11 37 o 54.057  1.9707 23.138   1.6700  20.580   2.0398  28.336   2.9082  50.740  2.5729 59.288  3.1401 -8.548321      4.059562 
1 1 1 19 11 38 o 24.725  3.3489 5.0203   1.2646  4.9889   1.6350  5.0672   1.9952  24.242  4.4669 24.054  5.4208 0.1882706      7.024088 
1 1 1 19 11 39 o 35.884  2.4975 10.324   1.3962  10.809   1.7909  9.5715   2.2294  36.482  3.1627 33.818  4.3027 2.663597       5.339993 
1 1 1 19 11 40 o 37.268  2.4882 11.141   1.4453  10.357   1.9488  12.098   2.1547  35.512  3.5480 38.368  3.6252 -2.856293      5.072556 
1 1 1 19 11 41 f 14.736  4.8323 1.7991   1.2888  0.1137   1.7727  3.6883   1.8769  12.005  5.1771 20.305  5.6758 -8.299945      7.682315 
1 1 1 19 11 42 o 38.485  2.7086 11.958   1.6237  10.224   2.1439  14.289   2.4864  34.982  3.9803 41.484  3.8679 -6.501846      5.550032 
1 1 1 19 11 43 o 19.791  4.5951 3.4234   1.3982  4.2624   1.9896  2.6047   1.9654  21.637  5.7626 17.392  5.9710 4.245117       8.298261 
1 1 1 19 11 44 o 59.768  2.0071 28.441   1.8806  29.344   2.7118  27.605   2.6103  60.222  2.8724 58.425  2.8500 1.797054       4.046364 
1 1 1 19 11 45 o 12.823  4.9968 1.0482   1.4476  0.9572   2.2537  1.1121   1.8887  14.395  6.0043 13.918  5.6148 0.4769993      8.220558 
1 1 1 19 11 46 o 29.237  3.3381 7.1018   1.5026  8.2088   2.1359  6.0172   2.1142  30.751  4.5696 25.754  5.4087 4.997225       7.080642 
1 1 1 19 11 47 o 25.813  3.7768 5.6541   1.4831  4.5209   2.0450  6.9113   2.1540  21.957  5.8397 27.762  5.1386 -5.805096      7.778638 
1 1 1 19 11 48 o 15.291  5.1581 2.0272   1.4662  1.6549   2.1047  2.3782   2.0437  15.191  5.9934 16.609  6.0505 -1.418642      8.516439 
1 1 1 19 11 49 o 12.269  5.0504 0.7233   1.5655  -0.7396  2.0896  2.5951   2.3636  11.451  5.2291 17.252  6.4667 -5.800737      8.316375 
1 1 1 19 11 50 o 21.173  5.0520 4.1023   1.6535  5.3508   2.2721  2.6968   2.4108  23.545  6.1047 17.423  6.5309 6.121851       8.939815 
1 1 1 19 11 51 o 16.838  5.4799 2.6000   1.6585  1.4692   2.2993  3.8265   2.3946  15.014  6.1436 19.730  6.5921 -4.715878      9.011072 
1 1 1 19 11 52 o 29.274  3.8255 7.3390   1.7136  9.0040   2.7397  6.2690   2.1963  30.846  5.8803 25.837  5.5852 5.008205       8.110033 
1 1 1 19 11 53 o 28.322  4.1540 6.9928   1.7895  11.644   3.6099  5.4773   2.0605  33.855  7.0316 24.058  5.5728 9.796223       8.972142 
1 1 1 19 11 54 o 31.321  3.9391 8.4747   1.8914  8.9497   3.4832  8.2761   2.2523  28.730  7.6120 30.200  4.9274 -1.470140      9.067574 
1 1 1 19 11 55 o 15.621  5.4230 2.2186   1.6234  -0.2107  2.7774  3.4792   2.0007  13.398  6.0832 18.798  6.0094 -5.400196      8.550917 
1 1 1 19 11 56 o 13.282  5.0871 1.3722   1.4815  -0.4420  2.3367  2.5917   1.9158  12.145  5.5395 16.548  5.8794 -4.402946      8.078028 
1 1 1 19 11 57 o 9.3286  4.3153 -0.7806  1.4886  -2.1312  2.3312  0.1491   1.9343  10.435  4.9973 11.883  5.2581 -1.447536      7.253995 
1 1 1 19 11 58 o 22.115  4.8115 4.6017   1.6207  7.4403   2.4922  2.5219   2.1333  27.084  6.0252 16.192  6.1275 10.89291       8.593582 
1 1 1 19 11 59 o 12.612  5.1074 1.1246   1.5693  -1.2853  2.4753  2.7443   2.0292  11.327  5.3441 16.472  6.0248 -5.145127      8.053381 
1 1 1 19 12 0  o 7.8154  5.5815 -4.5091  3.0826  -4.5091  3.0826  -4.5091  3.0826  7.8154  5.5815 7.8154  5.5815 0.000000       0.000000 
1 1 1 19 12 1  o 29.003  6.2577 7.1887   2.7616  7.8753   3.5524  6.1398   4.3905  29.967  7.5618 26.769  8.9259 3.197865       11.69839 
1 1 1 19 12 2  o 25.569  7.6571 5.6575   3.3098  8.1406   4.5927  2.9744   4.7742  30.166  9.0166 22.540  8.9842 7.625885       12.72845 
1 1 1 19 12 3  o 54.643  2.9780 23.762   2.5414  25.432   3.3439  21.479   3.9103  56.269  3.8132 51.272  4.9256 4.997593       6.229137 
1 1 1 19 12 4  o 35.207  3.4377 9.9658   1.8731  7.8445   2.5738  12.354   2.7312  30.553  5.5793 38.893  4.5664 -8.339809      7.209748 
1 1 1 19 12 5  o 45.551  2.8671 16.515   2.0369  18.612   2.9833  14.683   2.7878  48.035  3.9980 42.551  4.2355 5.483898       5.824401 
1 1 1 19 12 6  o 47.329  2.3153 17.692   1.7179  17.457   2.3114  17.982   2.5676  46.756  3.1721 47.369  3.4820 -0.6130371     4.710307 
1 1 1 19 12 7  o 51.531  2.1122 20.947   1.7063  21.659   2.3930  20.210   2.4336  52.166  2.9381 50.342  3.0987 1.824116       4.270185 
1 1 1 19 12 8  o 11.041  4.5711 0.3060   1.2924  -0.6760  1.6629  1.8039   2.0538  10.680  4.7906 16.341  6.0470 -5.660807      7.714681 
1 1 1 19 12 9  o 70.416  1.7017 39.029   1.8784  39.254   2.5409  38.758   2.7895  70.497  2.2991 69.991  2.5423 0.5060730      3.427720 
1 1 1 19 12 10 o 48.995  2.0171 18.928   1.5493  18.473   2.0590  19.522   2.3523  48.208  2.7358 49.480  3.0474 -1.272381      4.095239 
1 1 1 19 12 11 o 67.612  1.8353 36.010   1.9453  36.334   2.7446  35.682   2.7575  67.751  2.5841 67.131  2.6202 0.6196136      3.680135 
1 1 1 19 12 12 o 90.719  1.5781 64.749   2.2443  65.361   3.0474  64.024   3.3175  91.006  2.1360 90.006  2.3512 1.000465       3.176592 
1 1 1 19 12 13 o 30.155  2.8767 7.2796   1.3434  8.2631   1.8046  6.0571   2.0120  31.948  3.6697 26.922  4.9497 5.026247       6.161670 
1 1 1 19 12 14 o 60.516  1.9875 28.879   1.8855  28.347   2.7574  29.347   2.5840  59.741  2.9442 60.847  2.7090 -1.105907      4.000876 
1 1 1 19 12 15 o 71.813  1.6838 40.602   1.8957  41.040   2.5385  40.049   2.8502  72.076  2.2466 71.120  2.5564 0.9568329      3.403329 
1 1 1 19 12 16 o 29.630  2.9618 7.0435   1.3573  7.5252   1.8475  6.4785   2.0008  30.369  3.9761 27.910  4.7426 2.459169       6.188778 
1 1 1 19 12 17 o 36.092  2.5340 10.365   1.4247  9.3292   1.9005  11.694   2.1526  33.962  3.6256 38.055  3.6531 -4.093327      5.146842 
1 1 1 19 12 18 o 45.664  2.1007 16.463   1.5038  16.076   2.0307  16.933   2.2378  44.888  2.9012 46.012  3.1209 -1.123932      4.261117 
1 1 1 19 12 19 o 11.145  4.4865 0.5009   1.2032  1.5188   1.6424  -0.6780  1.7676  14.825  5.4205 11.023  4.9422 3.801855       7.335310 
1 1 1 19 12 20 o 38.360  2.3649 11.687   1.4152  11.622   1.8979  11.769   2.1241  38.043  3.2123 38.172  3.5917 -0.1290436     4.818624 
1 1 1 19 12 21 o 90.480  1.5933 64.455   2.2599  63.507   3.0407  65.626   3.3780  89.645  2.1637 91.056  2.3664 -1.410950      3.206478 
1 1 1 19 12 22 o 21.064  3.9434 3.6817   1.2543  5.9319   1.7288  1.1806   1.8226  26.779  4.2609 14.428  5.6111 12.35033       7.045530 
1 1 1 19 12 23 o 58.731  1.8530 27.209   1.7060  27.790   2.3366  26.544   2.4968  59.198  2.5178 57.790  2.7560 1.408119       3.732901 
1 1 1 19 12 24 o 23.863  3.5515 4.6622   1.2881  4.3830   1.7425  4.9985   1.9126  22.701  5.0289 24.224  5.1926 -1.523186      7.228635 
1 1 1 19 12 25 o 29.477  2.9637 6.9935   1.3510  8.4801   1.8526  5.3052   1.9744  32.258  3.7323 24.946  5.2164 7.311985       6.414133 
1 1 1 19 12 26 o 18.960  4.3497 3.0345   1.2654  2.8227   1.7427  3.2706   1.8403  18.291  5.5740 19.548  5.6723 -1.256956      7.952595 
1 1 1 19 12 27 o 37.715  2.4278 11.332   1.4278  10.127   1.9295  12.790   2.1228  35.324  3.5317 39.768  3.4388 -4.443939      4.929320 
1 1 1 19 12 28 o 45.392  2.1203 16.308   1.5088  15.397   2.0185  17.461   2.2714  43.813  2.9561 46.607  3.1269 -2.793980      4.302997 
1 1 1 19 12 29 o 20.721  4.2444 3.6175   1.3324  1.9375   1.8497  5.4292   1.9208  16.065  5.7698 25.219  5.0348 -9.154369      7.657625 
1 1 1 19 12 30 o 24.465  3.5488 4.9209   1.3213  4.8136   1.7920  5.0487   1.9561  23.708  4.9801 24.176  5.3068 -0.4679585     7.277586 
1 1 1 19 12 31 o 24.666  3.3899 4.9862   1.2762  4.9552   1.6570  5.0313   2.0007  24.198  4.5346 24.056  5.4336 0.1418152      7.077213 
1 1 1 19 12 32 o 62.999  1.7935 31.366   1.7713  31.616   2.2284  30.936   2.9192  63.100  2.2527 62.111  2.9980 0.9888878      3.750056 
1 1 1 19 12 33 o 38.178  2.3674 11.639   1.4099  12.676   1.8490  10.199   2.1794  39.634  2.9980 35.115  4.0322 4.518871       5.024655 
1 1 1 19 12 34 o 8.2457  3.8192 -0.8935  1.1714  0.8133   1.5649  -3.0685  1.7665  12.801  5.1294 8.3753  4.0902 4.425279       6.560502 
1 1 1 19 12 35 o 20.209  4.2064 3.4780   1.2893  2.6130   1.6016  5.0704   2.1731  17.412  5.3504 23.821  5.8597 -6.408627      7.934883 
1 1 1 19 12 36 o 23.068  3.8165 4.4580   1.3319  4.5956   1.6524  4.2028   2.2504  23.069  4.7279 21.539  6.2790 1.529549       7.859984 
1 1 1 19 12 37 o 9.8191  4.2652 -0.0649  1.2208  1.4327   1.6226  -2.0186  1.8533  14.250  5.3548 9.5542  4.5419 4.695994       7.021618 
1 1 1 19 12 38 o 11.517  4.5820 0.6905   1.2396  0.3425   1.6310  1.1664   1.9074  11.952  5.0538 14.215  5.6746 -2.262774      7.598806 
1 1 1 19 12 39 o 38.736  2.4418 12.061   1.4752  12.247   2.0030  11.840   2.1808  38.624  3.3409 37.762  3.7328 0.8617821      5.009494 
1 1 1 19 12 40 o 14.394  4.8724 1.7112   1.3084  1.8345   1.8047  1.5746   1.8995  15.361  5.6716 14.934  5.7504 0.4262066      8.076807 
1 1 1 19 12 41 o 44.286  2.2876 15.740   1.5828  16.029   2.1439  15.394   2.3465  44.260  3.1096 43.131  3.5006 1.129433       4.682304 
1 1 1 19 12 42 o 27.520  3.4416 6.3185   1.4523  4.8004   1.9408  8.2504   2.1894  22.920  5.4764 30.773  4.6863 -7.853949      7.207842 
1 1 1 19 12 43 o 25.083  3.8776 5.3613   1.4755  4.2104   2.0210  6.6753   2.1594  21.190  5.8778 27.215  5.2516 -6.025600      7.882118 
1 1 1 19 12 44 o 17.380  5.0187 2.7297   1.4438  3.0924   2.0833  2.3946   2.0027  18.281  6.1485 16.625  5.9998 1.655338       8.590769 
1 1 1 19 12 45 o 33.629  2.9103 9.2924   1.5191  6.6318   1.9245  13.691   2.4746  27.407  4.6450 40.105  3.9889 -12.69824      6.122696 
1 1 1 19 12 46 o 10.112  4.4541 -0.1098  1.3726  -0.5611  1.9074  0.3749   1.9768  11.131  5.0490 12.642  5.4594 -1.511349      7.436200 
1 1 1 19 12 47 o 47.524  2.6539 18.410   1.9693  20.180   2.8162  16.717   2.7548  48.895  3.7016 44.202  4.0194 4.692825       5.464180 
1 1 1 19 12 48 f 29.448  3.5712 7.3481   1.6149  5.9509   2.1425  9.1860   2.4573  25.158  5.5788 31.832  5.0962 -6.674564      7.556030 
1 1 1 19 12 49 o 37.138  2.8363 11.351   1.6388  11.212   2.1525  11.542   2.5277  36.203  3.8519 36.152  4.5615 0.5034256E-01  5.970310 
1 1 1 19 12 50 o 10.882  4.6556 0.2822   1.4125  0.6510   1.8763  -0.2002  2.1461  12.736  5.4048 12.127  5.4409 0.6087255      7.669117 
1 1 1 19 12 51 o 37.472  2.8885 11.606   1.6837  11.659   2.1889  11.530   2.6349  36.842  3.8466 35.787  4.8192 1.054920       6.166075 
1 1 1 19 12 52 o 32.740  3.1094 8.9672   1.5768  7.4958   2.1964  10.532   2.2649  28.466  5.1096 34.592  4.2671 -6.126080      6.657012 
1 1 1 19 12 53 o 7.2007  3.5649 -3.0454  1.4994  -3.5921  2.2045  -2.5749  2.0454  9.0772  4.4609 9.3412  4.5249 -0.2639771     6.354067 
1 1 1 19 12 54 o 14.638  5.3059 1.9109   1.5688  1.3015   2.2298  2.5082   2.2075  14.204  5.9523 16.354  6.2226 -2.149655      8.611073 
1 1 1 19 12 55 o 28.944  3.7854 7.3337   1.6764  7.8627   2.5174  6.9121   2.2472  28.015  5.9176 26.552  5.5762 1.462734       8.130918 
1 1 1 19 12 56 o 20.883  4.8549 4.1639   1.5592  4.7327   2.2100  3.6003   2.2001  21.041  6.2468 18.361  6.3167 2.680389       8.883876 
1 1 1 19 13 0  o 9.1580  5.7582 0.3664   1.7334  0.3664   1.7334  0.3664   1.7334  9.1580  5.7582 9.1580  5.7582 0.000000       0.000000 
1 1 1 19 13 1  o 17.183  4.5692 2.4787   1.2521  2.6255   1.7782  2.3344   1.7635  17.875  5.6601 17.091  5.6550 0.7841148      8.000985 
1 1 1 19 13 2  o 48.496  1.9931 18.557   1.5153  18.839   2.1194  18.262   2.1673  48.633  2.7916 47.850  2.9029 0.7829208      4.027396 
1 1 1 19 13 3  o 43.550  2.1755 14.984   1.4852  15.284   2.1040  14.686   2.0969  43.707  3.0907 42.823  3.1455 0.8837891      4.409842 
1 1 1 19 13 4  o 43.875  2.2585 15.257   1.5482  15.104   2.0763  15.448   2.3234  43.453  3.0677 43.845  3.4070 -0.3925552     4.584538 
1 1 1 19 13 5  o 19.345  4.8495 3.1645   1.4679  2.8931   1.9857  3.4915   2.1797  18.730  5.9867 20.336  6.2405 -1.605164      8.647813 
1 1 1 19 13 6  o 15.526  5.2478 1.8734   1.5177  1.4514   1.8920  2.6348   2.5417  15.188  5.7650 18.756  6.7605 -3.568039      8.884800 
1 1 1 19 13 7  o 28.590  3.6780 6.6543   1.6103  6.9065   2.0375  6.2346   2.6281  28.827  4.6683 26.803  6.3519 2.023727       7.882877 
1 1 1 19 13 8  o 69.126  2.0350 37.722   2.2053  39.992   2.7835  33.894   3.6142  71.049  2.4991 64.962  3.5626 6.086868       4.351694 
1 1 1 19 13 9  o 91.971  1.8706 66.705   2.6970  65.718   3.3737  68.453   4.4893  91.125  2.3616 92.686  3.0896 -1.561249      3.888836 
1 1 1 19 13 10 o 43.599  2.6509 15.137   1.8032  15.667   2.2570  14.201   2.9985  44.177  3.2824 41.540  4.6865 2.637321       5.721641 
1 1 1 19 13 11 o 17.304  5.0221 2.5093   1.4425  -0.5664  1.8561  7.1997   2.2921  11.471  5.1093 29.239  5.1908 -17.76757      7.283462 
1 1 1 19 13 12 o 31.320  3.2914 7.9191   1.5919  7.7822   2.1743  8.0772   2.3370  30.604  4.6808 31.086  4.9624 -0.4824390     6.821741 
1 1 1 19 13 13 o 35.651  3.1251 10.213   1.7290  8.1707   2.5069  12.066   2.3877  31.118  5.3308 38.483  4.0171 -7.364780      6.674911 
1 1 1 19 13 14 o 32.632  3.3696 8.6064   1.6990  8.7783   2.4549  8.4483   2.3537  32.401  4.9933 31.820  4.8736 0.5808620      6.977467 
1 1 1 19 13 15 o 33.290  3.1608 8.9246   1.6297  5.9388   2.2714  12.092   2.3396  26.291  5.6772 38.539  3.9274 -12.24810      6.903298 
1 1 1 19 13 16 f 67.975  1.9603 36.485   2.0890  41.284   3.2591  33.138   2.7215  72.000  2.8875 64.574  2.6884 7.425591       3.945265 
1 1 1 19 13 17 o 20.364  4.7503 3.5206   1.4887  5.6214   2.2099  1.7752   2.0144  25.542  5.6673 16.058  5.9795 9.483480       8.238531 
1 1 1 19 13 18 o 25.312  3.7633 5.2661   1.4479  5.5068   2.2771  5.1028   1.8759  25.192  5.8741 24.496  5.0527 0.6953506      7.748253 
1 1 1 19 13 19 o 18.133  4.8652 2.7953   1.4117  2.0360   2.1114  3.4092   1.8985  16.759  6.1432 19.921  5.7557 -3.161802      8.418218 
1 1 1 19 13 20 o 56.311  2.1394 25.094   1.8886  24.677   2.8305  25.428   2.5355  55.399  3.2737 56.399  2.8773 -1.000107      4.358432 
1 1 1 19 13 21 o 49.425  2.3188 19.370   1.7967  16.003   2.6753  22.137   2.4249  44.313  3.8904 52.571  2.9544 -8.258430      4.885061 
1 1 1 19 13 22 o 49.971  2.3000 19.803   1.8018  17.826   2.7986  21.203   2.3547  46.782  3.8502 51.442  2.9321 -4.659313      4.839536 
1 1 1 19 13 23 o 37.311  2.6482 11.140   1.5389  12.815   2.1628  9.4224   2.1901  39.736  3.5080 33.756  4.2317 5.979969       5.496689 
1 1 1 19 13 24 o 35.142  2.7535 9.9104   1.5048  9.3280   2.1098  10.513   2.1468  33.622  4.0868 35.802  3.8875 -2.179371      5.640449 
1 1 1 19 13 25 o 31.633  2.9959 8.0821   1.4680  6.9138   2.0844  9.2319   2.0677  28.569  4.8259 33.452  4.0237 -4.883041      6.283283 
1 1 1 19 13 26 o 36.580  2.7397 10.744   1.5597  11.080   2.2391  10.428   2.1739  36.690  3.9554 35.579  3.9650 1.110233       5.600544 
1 1 1 19 13 27 o 20.556  4.6318 3.6226   1.4568  1.0042   2.0135  6.4991   2.1104  14.333  5.7920 27.518  5.0791 -13.18447      7.703559 
1 1 1 19 13 28 o 34.428  2.9281 9.5719   1.5654  9.8948   2.2146  9.2495   2.2130  34.501  4.1799 33.266  4.3474 1.234150       6.030878 
1 1 1 19 13 29 o 49.565  2.4556 19.587   1.9081  17.947   3.0957  20.591   2.4230  46.477  4.2974 50.493  3.0758 -4.015686      5.284710 
1 1 1 19 13 30 o 31.554  2.8694 8.0553   1.4039  5.5244   1.8380  11.599   2.1750  25.350  4.8009 37.532  3.7467 -12.18201      6.089839 
1 1 1 19 13 31 o 20.069  4.1087 3.4273   1.2491  2.4582   1.5945  4.9671   2.0098  16.936  5.3596 23.667  5.5185 -6.731487      7.692767 
1 1 1 19 13 32 o 46.261  2.1969 17.037   1.5932  16.244   1.9977  18.422   2.6409  44.851  2.8561 47.387  3.5814 -2.536266      4.580799 
1 1 1 19 13 33 o 10.212  4.3843 0.0652   1.2605  0.4517   1.6633  -0.4564  1.9321  12.255  5.1385 11.611  5.1892 0.6439552      7.302883 
1 1 1 19 13 34 o 24.909  3.4959 5.1587   1.3275  4.9358   1.7370  5.4716   2.0584  23.779  4.8247 24.751  5.4524 -0.9718857     7.280498 
1 1 1 19 13 35 o 27.737  3.4339 6.3770   1.4613  4.9478   1.7283  9.9595   2.7363  23.777  4.8021 33.593  5.3773 -9.816210      7.209411 
1 1 1 19 13 36 o 21.439  4.0751 3.9413   1.3195  4.2342   1.8048  3.6049   1.9341  21.666  5.3465 19.850  5.8309 1.815609       7.911040 
1 1 1 19 13 37 o 7.6761  3.6855 -1.6857  1.2866  -0.6352  1.7534  -2.9109  1.8936  10.698  4.8480 8.8287  4.2945 1.869336       6.476541 
1 1 1 19 13 38 o 50.985  2.1031 20.768   1.6809  20.258   2.2887  21.365   2.4768  49.830  2.9429 51.063  3.1089 -1.232883      4.280863 
1 1 1 19 13 39 o 12.144  4.7664 0.9117   1.3247  -0.0156  1.7731  2.0830   1.9928  11.594  5.0858 15.973  5.9475 -4.379234      7.825440 
1 1 1 19 13 40 o 35.830  2.8547 10.511   1.5902  10.560   2.2470  10.461   2.2508  35.101  4.1647 34.912  4.1965 0.1885643      5.912286 
1 1 1 19 13 41 o 14.924  5.2905 1.8803   1.5503  0.9638   1.9799  3.3327   2.4925  13.653  5.6556 18.797  6.7033 -5.144123      8.770389 
1 1 1 19 13 42 o 25.574  4.0534 5.6577   1.5708  8.3793   2.1607  2.6065   2.2878  30.827  4.6129 17.155  6.3754 13.67201       7.869242 
1 1 1 19 13 43 o 33.049  3.3124 9.1338   1.6931  13.199   2.4664  5.5111   2.3283  39.186  4.0744 23.766  6.1884 15.42028       7.409270 
1 1 1 19 13 44 o 26.972  3.8410 6.2532   1.5782  6.6776   2.0209  5.5898   2.5268  27.161  4.9276 23.561  6.5854 3.599787       8.224863 
1 1 1 19 13 45 o 33.584  3.1776 9.4111   1.6531  10.272   2.1154  8.0604   2.6494  34.526  3.9813 28.913  6.0400 5.613577       7.234119 
1 1 1 19 13 46 o 36.207  3.2978 10.992   1.8513  9.5513   2.5943  12.487   2.6428  32.135  5.3369 37.522  4.5884 -5.386868      7.038204 
1 1 1 19 13 47 o 11.388  4.8290 0.4382   1.4958  -0.3694  2.0175  1.4242   2.2292  11.552  5.2207 14.652  6.0285 -3.099868      7.974810 
1 1 1 19 13 48 o 17.169  5.2969 2.7798   1.5680  0.9798   2.3116  4.3137   2.1340  14.029  5.9777 20.766  6.1318 -6.736945      8.563420 
1 1 1 19 13 49 o 11.363  4.8249 0.4540   1.4967  -0.4764  2.0552  1.5044   2.1839  11.447  5.2110 14.611  5.9841 -3.164607      7.934979 
1 1 1 19 13 50 o 12.096  5.0470 0.7359   1.5931  1.1598   2.1038  0.1662   2.4393  13.834  5.7884 13.039  5.8288 0.7949066      8.214647 
1 1 1 19 13 51 o 7.4553  3.6416 -2.2286  1.4024  -1.8875  1.8905  -2.6460  2.0912  9.4078  4.5039 9.3665  4.5461 0.4129696E-01  6.399357 
1 1 1 19 13 52 o 7.3297  3.5846 -2.2125  1.3711  -2.4215  1.8539  -1.9601  2.0370  8.8007  4.2735 9.7249  4.6608 -0.9241056     6.323451 
1 1 1 19 13 53 o 23.305  4.1153 4.9119   1.4486  4.8387   2.0262  4.9884   2.0718  21.675  5.8341 21.962  5.8943 -0.2867012     8.293365 
1 1 1 19 13 54 o 9.9929  4.4260 0.0198   1.3737  0.8553   1.9559  -0.7935  1.9297  12.703  5.4576 10.445  4.8598 2.257436       7.307719 
1 1 1 19 14 0  o 39.916  3.6605 12.929   2.2463  12.929   2.2463  12.929   2.2463  39.916  3.6605 39.916  3.6605 0.000000       0.000000 
1 1 1 19 14 1  o 13.718  4.8585 1.3812   1.3072  3.0921   1.8679  -0.2610  1.8300  19.068  5.7617 11.792  5.1698 7.276598       7.741017 
1 1 1 19 14 2  o 76.880  1.6688 46.593   2.0113  50.656   2.8847  42.750   2.8058  79.958  2.3014 73.406  2.4382 6.552330       3.352787 
1 1 1 19 14 3  f 48.148  2.0811 18.332   1.5708  22.073   2.2810  14.958   2.1664  52.582  2.7770 43.113  3.2288 9.469582       4.258727 
1 1 1 19 14 4  o 54.982  1.8624 23.865   1.6053  21.091   2.2329  26.832   2.3093  51.393  2.7819 58.124  2.5344 -6.731770      3.763270 
1 1 1 19 14 5  o 45.088  2.1505 16.087   1.5201  16.790   2.1585  15.396   2.1410  45.756  3.0263 43.768  3.1412 1.987453       4.361847 
1 1 1 19 14 6  o 63.048  1.7481 31.357   1.7278  32.249   2.4172  30.425   2.4707  63.755  2.4185 61.885  2.5468 1.870148       3.512125 
1 1 1 19 14 7  o 32.280  2.9514 8.3822   1.4770  8.2708   1.8836  8.5601   2.3801  31.779  3.8601 31.934  4.9116 -0.1549091     6.246981 
1 1 1 19 14 8  o 39.952  2.3884 12.706   1.4890  11.493   1.9988  14.220   2.2321  37.683  3.4209 41.945  3.4244 -4.262207      4.840329 
1 1 1 19 14 9  o 47.863  2.1098 18.128   1.5830  19.534   2.1504  16.464   2.3390  49.436  2.7860 45.185  3.3254 4.251713       4.338224 
1 1 1 19 14 10 o 17.832  4.6296 2.7035   1.3056  3.7268   1.7999  1.5673   1.8966  20.765  5.4577 15.328  5.7831 5.436828       7.951787 
1 1 1 19 14 11 o 29.253  2.9992 6.9072   1.3559  8.3557   1.8768  5.3257   1.9611  31.934  3.8251 24.933  5.1863 7.001051       6.444298 
1 1 1 19 14 12 o 73.025  1.7245 42.077   1.9741  45.120   2.7142  38.659   2.8766  75.427  2.2954 69.691  2.6330 5.736671       3.493049 
1 1 1 19 14 13 o 13.823  4.7817 1.4588   1.2616  0.3250   1.6490  3.0592   1.9592  12.160  5.1083 18.950  5.9334 -6.790002      7.829403 
1 1 1 19 14 14 o 95.080  1.6141 71.287   2.4058  74.175   3.2905  67.970   3.5264  96.753  2.1694 92.490  2.4321 4.263283       3.259059 
1 1 1 19 14 15 o 26.465  3.2643 5.7057   1.3256  4.7053   1.7861  6.9326   1.9779  23.421  5.0158 28.751  4.5391 -5.330015      6.764769 
1 1 1 19 14 16 o 65.506  1.8699 33.918   1.9203  32.747   2.4607  35.743   3.0710  64.175  2.4459 66.839  2.9309 -2.664215      3.817366 
1 1 1 19 14 17 o 30.338  3.1185 7.4588   1.4620  6.8897   1.9190  8.2463   2.2573  28.685  4.4085 31.282  4.7525 -2.597441      6.482349 
1 1 1 19 14 18 f 43.056  2.5225 14.812   1.6952  15.961   2.2410  13.275   2.5919  44.431  3.2397 40.088  4.1861 4.343483       5.293263 
1 1 1 19 14 19 o 54.313  2.1350 23.396   1.8179  20.680   2.3214  27.703   2.9232  50.723  2.9318 58.600  3.1941 -7.876324      4.335639 
1 1 1 19 14 20 o 50.829  2.2555 20.525   1.7972  20.964   2.3819  19.946   2.7387  51.030  2.9905 49.504  3.5526 1.525959       4.643665 
1 1 1 19 14 21 o 29.520  3.3986 7.1294   1.5441  8.0202   2.0663  6.0032   2.3235  30.927  4.3848 26.050  5.8345 4.876514       7.298418 
1 1 1 19 14 22 o 57.746  2.1302 26.473   1.9284  28.589   2.5756  23.772   2.9091  59.759  2.7493 54.071  3.4500 5.688057       4.411492 
1 1 1 19 14 23 o 48.055  2.2626 18.371   1.7045  20.864   2.4255  15.939   2.3959  50.819  3.0588 44.195  3.4864 6.624538       4.638035 
1 1 1 19 14 24 o 8.0459  3.8487 -1.7450  1.3741  -1.7930  1.9226  -1.6948  1.9647  10.045  4.7303 10.288  4.8249 -0.2432623     6.756849 
1 1 1 19 14 25 o 41.151  2.3690 13.548   1.5218  12.468   2.0237  14.954   2.3086  39.084  3.3349 42.756  3.4743 -3.671635      4.815836 
1 1 1 19 14 26 o 22.316  4.0246 4.2135   1.3561  5.3491   1.7894  2.6811   2.0787  24.889  4.7596 17.795  6.1389 7.094149       7.767895 
1 1 1 19 14 27 o 49.324  2.2956 19.406   1.7750  19.539   2.1642  19.134   3.1027  49.202  2.8175 47.877  4.1756 1.325497       5.037261 
1 1 1 19 14 28 o 21.365  4.3629 3.9312   1.4119  2.9801   1.8214  5.3631   2.2349  18.340  5.7173 24.283  5.9236 -5.943047      8.232651 
1 1 1 19 14 29 o 54.955  2.2141 24.094   1.9074  23.411   2.4999  25.045   2.9510  53.716  2.9803 55.270  3.4227 -1.554153      4.538376 
1 1 1 19 14 30 o 33.479  2.9741 9.1434   1.5447  9.0154   1.9927  9.3360   2.4452  32.761  3.9603 32.788  4.9081 -0.2693558E-01 6.306594 
1 1 1 19 14 31 f 30.929  3.1091 7.8530   1.4871  7.1456   1.9303  8.8857   2.3323  28.852  4.4077 31.989  4.7988 -3.136835      6.515826 
1 1 1 19 14 32 o 25.302  3.5882 5.3711   1.3834  5.2614   1.7072  5.5808   2.3609  24.544  4.6063 24.393  6.1697 0.1509857      7.699557 
1 1 1 19 14 33 o 10.625  4.5470 0.1702   1.3481  0.2851   1.6878  -0.0320  2.2404  11.876  5.0853 12.858  5.6757 -0.9815245     7.620612 
1 1 1 19 14 34 o 15.648  5.5453 2.0695   1.7032  2.4075   2.0147  1.2230   3.1883  16.719  6.0199 16.272  6.9789 0.4471626      9.216511 
1 1 1 19 14 35 f 47.580  2.5136 18.321   1.8683  19.728   2.4187  16.240   2.9417  48.931  3.1701 43.431  4.3804 5.500301       5.407210 
1 1 1 19 14 36 o 11.803  4.9383 0.5315   1.5312  0.9041   1.9535  -0.0620  2.4656  13.502  5.6074 13.216  5.8873 0.2861328      8.130374 
1 1 1 19 14 37 o 11.236  4.7823 0.3286   1.4766  0.0248   1.7800  0.9992   2.6442  11.591  5.0897 14.908  6.3738 -3.317698      8.156618 
1 1 1 19 14 38 f 21.492  4.8541 4.1953   1.5968  5.7519   2.0034  1.4842   2.6439  24.974  5.2821 15.546  6.4954 9.428743       8.372035 
1 1 1 19 14 39 o 16.851  5.3383 2.6187   1.5816  4.6720   2.2510  0.6168   2.2226  21.760  6.2616 13.479  5.8048 8.280797       8.538369 
1 1 1 19 14 40 f 25.982  4.4548 5.9901   1.7492  8.5822   2.4877  3.4554   2.4600  30.421  5.4149 18.779  6.6635 11.64256       8.586231 
1 1 1 19 14 41 o 32.700  3.3103 8.9834   1.6736  9.8014   2.4909  8.3102   2.2596  32.863  4.9920 30.272  4.9310 2.590731       7.016787 
1 1 1 19 14 42 o 29.777  4.1468 7.7531   1.8832  6.4984   2.9088  8.6585   2.4710  24.746  7.1171 30.499  5.3638 -5.752935      8.911995 
1 1 1 19 14 43 o 21.809  4.7844 4.3632   1.5908  4.9336   2.0740  3.5482   2.4791  22.466  5.8363 18.795  6.6872 3.670202       8.875849 
1 1 1 19 14 44 o 33.734  3.2181 9.5596   1.6812  9.5922   2.1189  9.5043   2.7621  33.062  4.1816 31.440  5.8184 1.622417       7.165153 
1 1 1 19 14 45 f 32.650  3.3805 9.0368   1.7052  5.1908   2.3466  13.340   2.4821  22.505  6.3661 39.052  4.1164 -16.54625      7.581022 
1 1 1 19 14 46 o 28.384  3.5397 6.9143   1.5408  5.4178   2.0675  8.7835   2.3108  23.532  5.6712 30.869  4.9418 -7.336496      7.522240 
1 1 1 19 14 47 o 11.713  4.9112 0.6471   1.5194  2.6672   2.1837  -1.2485  2.1153  16.656  6.2211 10.667  5.0036 5.989007       7.983630 
1 1 1 19 14 48 o 13.811  5.2175 1.6146   1.5450  1.9196   2.1601  1.2951   2.2108  15.082  6.0325 14.072  5.9134 1.009538       8.447495 
1 1 1 19 14 49 f 7.9414  3.8436 -1.9142  1.4680  -3.0967  2.1579  -0.8956  2.0028  9.1602  4.4834 10.634  4.9488 -1.473990      6.677737 
1 1 1 19 14 50 o 9.3897  4.3024 -0.5098  1.4307  -1.3393  2.1301  0.1720   1.9312  10.447  4.9377 11.701  5.2117 -1.254229      7.179326 
1 1 1 19 14 51 o 31.472  3.2634 8.5418   1.5867  6.6869   2.3263  10.155   2.1697  25.236  5.9728 33.345  4.2471 -8.108870      7.328872 
1 1 1 19 15 0  o 88.670  2.2805 62.068   3.1653  62.068   3.1653  62.068   3.1653  88.670  2.2805 88.670  2.2805 0.000000       0.000000 
1 1 1 19 15 1  o 33.102  2.8251 8.8259   1.4520  11.049   2.1408  6.9321   1.9760  36.701  3.7747 28.685  4.5457 8.015806       5.908632 
1 1 1 19 15 2  o 34.223  2.6332 9.3980   1.4019  10.380   2.0040  8.4564   1.9618  35.617  3.6402 31.970  4.0021 3.646570       5.409982 
1 1 1 19 15 3  o 64.989  1.7380 33.367   1.7707  31.649   2.4628  35.205   2.5477  63.034  2.4923 66.502  2.4437 -3.468178      3.490480 
1 1 1 19 15 4  o 15.508  4.8618 2.0058   1.3150  4.0552   1.9885  0.4129   1.7530  21.443  5.7829 12.573  5.2736 8.870026       7.826426 
1 1 1 19 15 5  o 24.479  3.5702 4.9449   1.3297  5.7379   1.9097  4.1986   1.8526  25.898  4.8830 21.903  5.4241 3.995226       7.298228 
1 1 1 19 15 6  o 47.137  2.1552 17.631   1.5926  17.953   2.1562  17.244   2.3623  47.239  2.9260 46.139  3.2875 1.100880       4.401054 
1 1 1 19 15 7  o 21.547  4.1862 3.9236   1.3631  4.6513   1.8281  3.0126   2.0455  23.143  5.1692 18.743  6.0850 4.399862       7.984216 
1 1 1 19 15 8  o 21.214  3.9748 3.7832   1.2733  1.7230   1.7947  5.8713   1.8068  15.361  5.6586 26.328  4.5416 -10.96750      7.255789 
1 1 1 19 15 9  o 30.321  3.0023 7.4507   1.4083  5.8813   1.8545  9.5888   2.1646  26.289  4.6710 33.967  4.1515 -7.677767      6.249269 
1 1 1 19 15 10 o 38.613  2.4803 11.933   1.4935  13.949   2.0165  9.4837   2.2227  41.519  3.1210 33.697  4.3061 7.821709       5.318171 
1 1 1 19 15 11 o 18.434  4.7431 2.9355   1.3786  2.4232   1.8277  3.6117   2.0998  17.079  5.7589 20.203  6.1100 -3.124084      8.396251 
1 1 1 19 15 12 f 32.410  3.0425 8.5194   1.5278  6.7045   1.9915  11.115   2.3815  28.066  4.6921 36.522  4.2384 -8.455976      6.322931 
1 1 1 19 15 13 o 39.132  2.6112 12.292   1.5927  13.330   2.1614  11.059   2.3558  40.414  3.4444 36.433  4.2018 3.981220       5.433133 
1 1 1 19 15 14 o 21.037  4.5425 3.8040   1.4542  0.6067   1.9188  8.1191   2.2291  13.306  5.5443 30.877  4.7580 -17.57049      7.305949 
1 1 1 19 15 15 o 54.632  2.0552 23.695   1.7601  23.168   2.3468  24.371   2.6612  53.665  2.7992 54.883  3.1057 -1.218307      4.181028 
1 1 1 19 15 16 o 67.186  1.8107 35.742   1.9071  34.473   2.5627  37.317   2.8551  65.690  2.4885 68.250  2.6685 -2.559784      3.648810 
1 1 1 19 15 17 o 48.163  2.0992 18.437   1.5850  16.567   2.1113  20.851   2.3993  45.245  2.9935 50.761  3.0289 -5.515968      4.258608 
1 1 1 19 15 18 o 22.566  4.0402 4.3096   1.3768  5.0066   1.8414  3.4262   2.0732  23.917  5.0687 19.588  6.0987 4.329084       7.930103 
1 1 1 19 15 19 o 30.115  3.1167 7.4087   1.4501  10.406   1.9779  3.9254   2.1322  35.517  3.6022 20.802  6.1257 14.71561       7.106298 
1 1 1 19 15 20 o 33.774  2.7442 9.2274   1.4404  8.5389   1.9097  10.136   2.1939  31.990  3.8879 34.772  4.1037 -2.782703      5.652987 
1 1 1 19 15 21 o 27.791  3.2920 6.3615   1.4063  7.2168   1.8991  5.3228   2.0927  29.167  4.2807 24.337  5.6014 4.829893       7.049785 
1 1 1 19 15 22 o 30.155  2.9990 7.4253   1.3989  6.7538   1.9076  8.2066   2.0575  28.071  4.4860 31.072  4.3426 -3.000944      6.243587 
1 1 1 19 15 23 o 32.207  2.9054 8.4494   1.4511  9.3851   2.0075  7.4256   2.1000  33.474  3.8987 29.291  4.7350 4.182840       6.133515 
1 1 1 19 15 24 o 36.719  2.6107 10.898   1.4930  12.711   2.0251  8.7389   2.2099  39.317  3.3165 31.892  4.5490 7.424692       5.629599 
1 1 1 19 15 25 o 13.070  4.8692 1.2352   1.3360  -0.5503  1.8059  3.3939   1.9857  10.997  4.9573 19.255  5.9643 -8.258264      7.755523 
1 1 1 19 15 26 o 20.961  4.5173 3.8535   1.4406  3.3454   2.0175  4.3822   2.0578  19.078  6.0278 21.721  5.8934 -2.642250      8.430065 
1 1 1 19 15 27 o 27.545  3.6092 6.3688   1.5210  8.5819   2.0720  3.7829   2.2398  31.635  4.2885 20.047  6.3530 11.58832       7.664958 
1 1 1 19 15 28 o 36.425  3.0627 10.905   1.7326  8.8494   2.1720  14.501   2.8732  31.980  4.4533 40.963  4.5511 -8.982920      6.367430 
1 1 1 19 15 29 o 29.635  4.3142 7.5940   1.9455  10.467   2.4551  2.7464   3.1893  34.627  4.6394 18.301  7.3267 16.32545       8.672070 
1 1 1 19 15 30 o 10.904  4.8168 -0.1300  1.6165  -0.0944  2.0098  -0.1953  2.7204  12.081  5.3521 13.627  6.1189 -1.545854      8.129316 
1 1 1 19 15 31 o 38.724  3.8428 12.721   2.3020  12.124   3.4051  13.224   3.1240  35.650  6.3243 38.189  5.3664 -2.538292      8.294285 
1 1 1 19 15 32 o 11.993  5.3324 -0.1179  2.0129  2.9166   3.1225  -2.2755  2.6330  18.253  7.2688 11.346  5.3996 6.907135       9.054917 
1 1 1 19 15 33 o 41.965  3.3311 14.701   2.1734  14.168   3.1494  15.186   3.0032  39.538  5.2078 41.447  4.7055 -1.908916      7.018792 
1 1 1 19 15 34 o 32.211  3.8057 8.8746   1.8846  9.0646   2.5173  8.6322   2.8428  31.404  5.3020 29.752  6.2917 1.651564       8.227826 
1 1 1 19 15 35 o 27.713  3.8738 6.6248   1.6370  9.9475   2.3176  3.3164   2.3126  33.526  4.5251 18.455  6.4688 15.07168       7.894452 
1 1 1 19 15 36 o 26.738  4.0306 6.2302   1.6370  3.7432   2.4011  8.3901   2.2376  19.306  6.6003 30.462  4.8482 -11.15622      8.189536 
1 1 1 19 15 37 o 9.3505  4.2604 -0.5426  1.3776  0.6931   1.9143  -1.8697  1.9839  12.834  5.4534 9.8110  4.6739 3.022793       7.182253 
1 1 1 19 15 38 o 10.968  4.6393 0.4095   1.3751  -0.2155  1.8557  1.1705   2.0478  11.290  5.0628 13.873  5.7497 -2.583124      7.661010 
1 1 1 19 15 39 o 10.058  4.5234 -0.3152  1.4931  -1.3966  1.9216  1.3324   2.3719  10.055  4.7331 14.619  6.1333 -4.564622      7.747253 
1 1 1 19 15 40 o 36.540  2.8157 11.051   1.6005  12.343   2.1597  9.4762   2.3837  37.943  3.6769 32.210  4.8731 5.733334       6.104623 
1 1 1 19 15 41 o 38.391  2.6521 12.135   1.5864  12.454   2.1191  11.729   2.3928  38.157  3.5846 36.403  4.2743 1.754105       5.578441 
1 1 1 19 15 42 o 21.459  4.5678 4.2266   1.4895  6.6217   2.0263  1.4111   2.1969  26.613  5.0416 14.362  5.9540 12.25046       7.801794 
1 1 1 19 15 43 o 19.961  4.8486 3.7533   1.5022  2.8111   2.0339  4.8839   2.2281  16.907  6.0526 21.703  6.2252 -4.796087      8.682545 
1 1 1 19 15 44 o 24.195  4.4088 5.3364   1.6106  7.0323   2.2824  3.6540   2.2732  26.746  5.6219 18.623  6.4200 8.123678       8.533550 
1 1 1 19 15 45 o 10.371  4.5776 0.0460   1.4572  2.0258   1.9478  -2.4707  2.1960  15.004  5.8102 9.7157  4.7020 5.288673       7.474405 
1 1 1 19 15 46 o 17.717  5.0565 3.0745   1.4736  2.2847   1.9746  4.0673   2.2139  15.457  5.8843 19.354  6.3329 -3.897321      8.644671 
1 1 1 19 15 47 o 21.349  4.5547 4.3022   1.4779  4.2539   2.1050  4.3492   2.0754  19.801  6.1420 20.094  6.0737 -0.2924976     8.637972 
1 1 1 19 15 48 o 13.644  4.9790 1.7242   1.3848  1.2906   1.9317  2.1827   1.9862  13.271  5.5491 14.992  5.8498 -1.720599      8.063060 
1 1 1 19 16 0  f 43.509  3.3247 15.301   2.2373  15.301   2.2373  15.301   2.2373  43.509  3.3247 43.509  3.3247 0.000000       0.000000 
1 1 1 19 16 1  o 39.658  2.5063 12.635   1.5502  11.310   2.0785  14.296   2.3269  37.020  3.6282 41.672  3.5972 -4.652092      5.109159 
1 1 1 19 16 2  o 34.549  2.6998 9.6401   1.4506  8.9452   2.0186  10.382   2.0860  32.695  4.0233 35.355  3.8245 -2.660545      5.551041 
1 1 1 19 16 3  o 24.939  3.6475 5.1857   1.3839  4.8694   1.9785  5.4886   1.9363  23.348  5.4967 25.009  5.1114 -1.661665      7.505977 
1 1 1 19 16 4  o 37.380  2.5597 11.245   1.4909  12.251   2.1262  10.273   2.0912  38.568  3.5567 35.143  3.8594 3.425617       5.248380 
1 1 1 19 16 5  o 10.777  4.6055 0.1403   1.3795  0.6681   1.8484  -0.5236  2.0728  13.143  5.4559 11.933  5.3508 1.210035       7.641892 
1 1 1 19 16 6  o 29.570  3.1189 7.1536   1.4240  5.6359   1.9943  8.7320   2.0338  25.286  5.2047 32.231  4.1195 -6.945040      6.637649 
1 1 1 19 16 7  o 18.093  4.6692 2.8607   1.3333  2.8833   1.8890  2.8383   1.8822  18.101  5.8448 17.983  5.8370 0.1182060      8.260247 
1 1 1 19 16 8  o 26.678  3.6345 5.9288   1.4805  4.0274   2.1859  7.5402   2.0123  20.966  6.2099 29.735  4.4540 -8.768980      7.642065 
1 1 1 19 16 9  f 28.799  3.0017 6.7749   1.3353  7.8579   1.8955  5.7080   1.8814  30.559  4.0570 25.591  4.8675 4.968447       6.336522 
1 1 1 19 16 10 o 12.632  4.7703 1.0837   1.2912  -0.5235  1.8772  2.5269   1.7789  11.314  5.0815 17.096  5.6807 -5.781930      7.621805 
1 1 1 19 16 11 o 47.297  2.2425 17.858   1.6627  19.214   2.2687  16.286   2.4439  48.635  2.9901 44.452  3.5363 4.183643       4.630986 
1 1 1 19 16 12 o 18.266  4.7234 2.9346   1.3626  2.5579   1.8483  3.3832   2.0168  17.187  5.7913 19.318  6.0152 -2.131706      8.349973 
1 1 1 19 16 13 o 33.438  2.8834 9.1006   1.4967  9.7624   2.0077  8.2728   2.2455  34.185  3.8112 30.901  4.7904 3.284161       6.121519 
1 1 1 19 16 14 o 28.643  3.2187 6.7614   1.4203  8.8195   2.0063  4.6939   2.0109  32.332  4.0469 22.690  5.6694 9.642427       6.965652 
1 1 1 19 16 15 o 30.741  3.1788 7.7740   1.5098  8.7138   2.0437  6.6450   2.2401  32.050  4.1662 27.213  5.4410 4.836657       6.852886 
1 1 1 19 16 16 o 17.639  4.7412 2.7524   1.3392  4.1015   1.8237  1.1735   1.9729  21.245  5.4494 14.229  5.7390 7.016886       7.914048 
1 1 1 19 16 17 o 40.942  2.3945 13.493   1.5302  13.793   2.1239  13.169   2.2064  40.897  3.3419 39.816  3.5729 1.081051       4.892231 
1 1 1 19 16 18 f 23.260  4.5224 4.7290   1.5897  3.6790   1.9884  6.5887   2.6463  19.918  5.9282 26.307  6.4631 -6.388607      8.770133 
1 1 1 19 16 19 o 34.670  3.4859 10.002   1.8690  8.7198   2.4488  11.791   2.8925  31.308  5.1698 36.456  5.2094 -5.148106      7.339242 
1 1 1 19 16 20 o 31.770  3.7139 8.4901   1.8148  7.7623   2.4272  9.4130   2.7331  29.238  5.4973 32.163  5.6255 -2.925097      7.865521 
1 1 1 19 16 21 o 21.360  5.2750 4.1721   1.7559  4.8830   2.5579  3.5386   2.4146  22.309  6.7429 19.361  6.6189 2.948248       9.448609 
1 1 1 19 16 22 o 18.619  5.3807 3.1892   1.6590  3.7262   2.2555  2.5562   2.4488  19.749  6.3877 17.315  6.5619 2.434078       9.157626 
1 1 1 19 16 23 o 46.437  2.6851 17.551   1.9463  18.055   2.6923  16.999   2.8171  46.315  3.7399 44.654  4.0689 1.660484       5.526548 
1 1 1 19 16 24 o 37.393  2.9062 11.486   1.6902  12.778   2.2965  9.9579   2.4968  38.825  3.8227 33.445  4.9081 5.379448       6.221145 
1 1 1 19 16 25 o 14.364  5.2421 1.6880   1.5350  3.1433   2.0808  -0.0497  2.2738  18.245  6.1449 12.730  5.6634 5.515841       8.356652 
1 1 1 19 16 26 o 28.867  3.4473 7.0236   1.5292  7.5093   1.9575  6.2631   2.4494  29.249  4.4058 25.353  6.2117 3.895838       7.615538 
1 1 1 19 16 27 o 41.829  2.4672 14.217   1.6107  14.374   2.1831  14.030   2.3861  41.422  3.3917 40.598  3.7931 0.8238678      5.088341 
1 1 1 19 16 28 o 12.889  4.9663 1.2006   1.4176  0.1213   2.0197  2.2485   1.9901  12.265  5.4027 16.031  5.9486 -3.766112      8.035871 
1 1 1 19 16 29 o 10.264  4.5856 -0.2465  1.5076  -1.6082  2.2537  0.8562   2.0281  10.849  5.1128 13.384  5.6462 -2.534955      7.617150 
1 1 1 19 16 30 o 18.721  5.0994 3.2826   1.5371  2.2915   2.2696  4.1224   2.0892  16.258  6.2785 20.397  6.0779 -4.139618      8.738381 
1 1 1 19 16 31 o 17.716  5.0160 2.9330   1.4561  2.3219   2.0578  3.5459   2.0607  16.117  6.0354 18.933  6.1037 -2.816011      8.583792 
1 1 1 19 16 32 o 14.710  5.3188 1.8871   1.5750  3.8669   2.4104  0.4119   2.0806  19.428  6.6132 12.714  5.5449 6.713532       8.630198 
1 1 1 19 16 33 o 39.274  2.7340 12.715   1.6728  13.470   2.3623  11.956   2.3690  39.490  3.8655 36.919  4.1661 2.570469       5.683191 
1 1 1 19 16 34 o 37.183  2.8931 11.480   1.6731  10.758   2.3571  12.213   2.3754  34.739  4.4290 37.317  4.1296 -2.578640      6.055517 
1 1 1 19 16 35 o 27.191  3.6679 6.3885   1.5236  6.0252   2.0285  6.8588   2.3078  25.184  5.3053 26.550  5.7141 -1.365881      7.797246 
1 1 1 19 16 36 o 16.643  5.2391 2.6363   1.5252  6.1234   2.1466  -0.9191  2.1676  25.108  5.5965 11.171  5.1814 13.93781       7.626839 
1 1 1 19 16 37 o 19.074  4.9330 3.4428   1.4861  3.1853   1.9866  3.7700   2.2393  17.838  6.0042 19.066  6.3747 -1.227295      8.757135 
1 1 1 19 16 38 o 24.015  4.1209 5.1519   1.4955  4.7119   2.0053  5.7034   2.2449  21.668  5.7921 23.692  6.0292 -2.024225      8.360625 
1 1 1 19 16 39 o 9.8681  4.4360 -0.2470  1.4342  -0.1737  1.9753  -0.3288  2.0856  11.476  5.1779 11.547  5.2537 -0.7065392E-01 7.376474 
1 1 1 19 16 40 o 15.179  5.1013 2.1777   1.4341  4.2699   1.9211  -0.4554  2.1552  20.496  5.7469 11.516  5.2780 8.980650       7.802791 
1 1 1 19 16 41 o 11.219  4.8064 0.4679   1.5091  -0.6352  1.9001  2.3528   2.4837  10.628  4.9020 15.899  6.4300 -5.271230      8.085460 
1 1 1 19 16 42 o 22.797  4.8814 4.9812   1.6919  5.6375   2.2558  4.1373   2.5581  23.032  6.1369 19.061  6.7916 3.971554       9.153579 
1 1 1 19 16 43 o 22.364  5.2068 4.9622   1.7913  4.7411   2.6018  5.1616   2.4700  20.072  6.8706 21.221  6.6649 -1.149599      9.572156 
1 1 1 19 16 44 o 20.856  5.1977 4.3781   1.6933  3.5961   2.2758  5.3480   2.5345  17.841  6.4007 21.290  6.7593 -3.449482      9.308971 
1 1 1 19 16 45 o 15.232  5.3057 2.3590   1.5545  2.1286   2.1727  2.6007   2.2251  14.810  6.0053 15.684  6.1706 -0.8748140     8.610458 
1 1 1 19 17 0  o 19.880  6.8716 4.2329   1.9300  4.2329   1.9300  4.2329   1.9300  19.880  6.8716 19.880  6.8716 0.000000       0.000000 
1 1 1 19 17 1  o 16.281  4.8944 2.3514   1.3504  4.2469   1.9534  0.6163   1.8689  21.378  5.7175 12.903  5.4304 8.474068       7.885427 
1 1 1 19 17 2  o 27.853  3.5505 6.5058   1.5150  7.2034   2.1618  5.8325   2.1238  28.461  5.0291 25.244  5.5204 3.217075       7.467684 
1 1 1 19 17 3  o 27.439  3.3281 6.2691   1.4023  9.1299   2.0700  3.8426   1.9064  32.707  4.1292 20.331  5.7336 12.37624       7.065717 
1 1 1 19 17 4  o 31.841  3.1130 8.3603   1.5340  7.7977   2.0819  9.0285   2.2689  29.912  4.5860 32.192  4.6290 -2.279968      6.516096 
1 1 1 19 17 5  o 17.763  5.0780 2.8482   1.4849  0.2170   2.0831  5.5667   2.1174  12.777  5.5606 24.564  5.6203 -11.78689      7.906254 
1 1 1 19 17 6  o 39.543  2.9641 12.809   1.8241  11.974   2.4485  13.852   2.7345  37.393  4.2526 40.110  4.4223 -2.717491      6.135251 
1 1 1 19 17 7  o 16.140  5.3677 2.2955   1.5882  2.7766   2.3933  1.9170   2.1229  17.758  6.5357 15.772  6.0774 1.986338       8.924644 
1 1 1 19 17 8  o 24.099  4.6790 5.1397   1.7039  6.3435   2.3616  3.8326   2.4609  26.010  5.9242 19.983  6.6828 6.026812       8.930625 
1 1 1 19 17 9  o 45.993  2.8313 17.264   2.0315  17.745   2.7467  16.683   3.0186  45.874  3.8551 43.978  4.4392 1.895718       5.879453 
1 1 1 19 17 10 o 24.364  5.2102 5.3989   1.9297  2.3053   2.6653  8.8071   2.7976  17.062  6.7404 30.636  6.0397 -13.57428      9.050509 
1 1 1 19 17 11 o 18.548  5.3212 3.1657   1.6278  3.6606   2.2427  2.6148   2.3664  19.563  6.3727 17.329  6.4754 2.233759       9.085258 
1 1 1 19 17 12 o 11.359  4.8996 0.2018   1.5886  -1.9196  2.1772  2.6170   2.3231  10.472  4.9621 17.274  6.4236 -6.802104      8.116986 
1 1 1 19 17 13 o 9.9806  4.5158 -0.5069  1.5146  -2.1556  2.0443  1.4992   2.2550  9.8518  4.7075 15.068  6.1152 -5.216283      7.717313 
1 1 1 19 17 14 o 12.560  5.1027 0.8711   1.5718  2.5212   2.1543  -1.0072  2.2984  16.899  6.2036 11.685  5.3903 5.213503       8.218243 
1 1 1 19 17 15 o 36.847  2.6542 11.082   1.5229  12.537   2.1083  9.4941   2.2022  38.640  3.5191 33.010  4.3624 5.630032       5.604823 
1 1 1 19 17 16 o 36.713  2.7614 11.045   1.5776  11.164   2.1708  10.912   2.2967  36.160  3.8908 35.506  4.2080 0.6537933      5.731069 
1 1 1 19 17 17 o 28.872  3.3263 6.9976   1.4780  7.2802   1.9578  6.6230   2.2538  28.715  4.4967 26.578  5.5866 2.136538       7.171446 
1 1 1 19 17 18 o 26.538  3.4773 5.9657   1.4118  7.0735   1.9724  4.8017   2.0218  28.181  4.6252 22.397  5.7337 5.783813       7.366661 
1 1 1 19 17 19 o 20.984  4.4981 3.9546   1.4352  4.6346   1.9866  3.2122   2.0758  21.975  5.7134 18.266  6.1375 3.708416       8.385270 
1 1 1 19 17 20 o 38.603  2.6292 12.193   1.5816  10.887   2.1204  13.831   2.3745  35.622  3.8588 40.226  3.8109 -4.603771      5.423369 
1 1 1 19 17 21 f 15.774  5.0103 2.2724   1.3924  2.0367   1.9067  2.5418   2.0382  15.438  5.8040 16.645  6.0456 -1.206232      8.380720 
1 1 1 19 17 22 o 33.574  2.9287 9.3473   1.5260  9.1460   2.0350  9.6058   2.3066  32.391  4.0994 32.782  4.6162 -0.3910065     6.173653 
1 1 1 19 17 23 o 34.666  2.8616 9.9460   1.5412  9.2828   2.0642  10.782   2.3169  32.580  4.1346 34.981  4.3165 -2.400810      5.977214 
1 1 1 19 17 24 o 16.015  5.3082 2.3807   1.5536  1.1294   2.1970  3.6322   2.1972  14.037  5.8967 19.009  6.3132 -4.972146      8.638706 
1 1 1 19 17 25 o 31.654  3.3278 8.4763   1.6266  9.4827   2.3487  7.5486   2.2550  32.321  4.7796 28.386  5.2611 3.934616       7.107994 
1 1 1 19 17 26 o 25.173  4.0569 5.5861   1.5466  4.4297   2.2158  6.6845   2.1596  20.817  6.2721 26.544  5.3741 -5.727587      8.259584 
1 1 1 19 17 27 o 11.897  4.9090 0.7593   1.4833  0.1254   2.0961  1.3952   2.0994  12.275  5.4506 14.241  5.8538 -1.965285      7.998462 
1 1 1 19 17 28 o 37.651  3.0391 11.860   1.7785  12.361   2.3859  11.233   2.6681  37.481  4.1290 34.842  5.0304 2.639866       6.508020 
1 1 1 19 17 29 o 15.409  5.3684 2.1996   1.5915  -0.3554  2.1881  5.0698   2.3191  11.839  5.3846 22.083  6.3559 -10.24453      8.330165 
1 1 1 19 17 30 o 12.420  5.0677 0.9574   1.5589  0.4387   2.2346  1.4491   2.1757  12.925  5.6884 14.359  5.9368 -1.434690      8.222141 
1 1 1 19 17 31 o 23.546  5.1004 5.2625   1.8282  8.4047   2.6128  2.2484   2.5590  29.093  5.9299 16.059  6.5155 13.03424       8.809984 
1 1 1 19 17 32 o 24.541  4.3151 5.4439   1.5995  5.4776   2.3012  5.4124   2.2248  22.969  6.2322 22.973  6.0819 -0.4226685E-02 8.708085 
1 1 1 19 17 33 o 30.371  3.4541 7.9312   1.6153  8.9564   2.3176  6.9628   2.2525  30.970  4.9397 26.661  5.5690 4.308687       7.444052 
1 1 1 19 17 34 o 31.969  3.4027 8.7759   1.6791  10.064   2.4368  7.6115   2.3170  32.851  4.8800 27.929  5.4877 4.922258       7.343627 
1 1 1 19 17 35 o 9.6663  4.4224 -0.5057  1.5038  1.5466   2.1523  -2.4632  2.1020  14.288  5.9058 9.4570  4.5825 4.830976       7.475135 
1 1 1 19 17 36 o 18.455  5.2118 3.3691   1.5741  4.0053   2.0654  2.4875   2.4313  19.425  6.0936 16.059  6.4080 3.366072       8.842773 
1 1 1 19 17 37 o 14.743  5.0932 2.0727   1.4311  2.5211   1.9605  1.5611   2.0938  15.896  5.9030 14.106  5.8273 1.790154       8.294710 
1 1 1 19 17 38 o 33.387  3.3616 9.6554   1.7355  10.012   2.2541  9.1364   2.7196  32.842  4.4962 29.554  6.0729 3.287859       7.556226 
1 1 1 19 17 39 o 23.458  4.3047 5.1194   1.5247  3.8847   2.0294  6.7195   2.3103  18.832  6.0557 25.209  5.9429 -6.376905      8.484684 
1 1 1 19 17 40 o 40.298  2.8409 13.754   1.7832  14.036   2.5401  13.480   2.5039  39.037  4.2176 38.206  4.2527 0.8311539      5.989510 
1 1 1 19 17 41 o 12.838  5.1315 1.3943   1.5617  1.5662   2.1495  1.2021   2.2729  13.763  5.8097 13.347  5.8085 0.4167004      8.215353 
1 1 1 19 18 0  o 19.855  8.7509 4.9999   2.8580  4.9999   2.8580  4.9999   2.8580  19.855  8.7509 19.855  8.7509 0.000000       0.000000 
1 1 1 19 18 1  o 11.030  4.9700 -0.3505  1.8126  -3.7664  2.5947  2.9054   2.5332  10.087  4.9325 17.622  6.6751 -7.535243      8.299811 
1 1 1 19 18 2  o 10.991  4.8547 -0.0396  1.6419  -2.5643  2.3045  2.5631   2.3398  10.159  4.8918 16.863  6.4086 -6.703396      8.062291 
1 1 1 19 18 3  o 56.429  3.0359 26.370   2.6757  20.938   4.0913  30.430   3.5370  47.331  5.6240 59.744  3.7962 -12.41299      6.785261 
1 1 1 19 18 4  o 9.6350  4.4039 -0.6182  1.4866  -0.2569  2.1111  -0.9735  2.0937  11.938  5.3729 11.047  5.1129 0.8913507      7.416839 
1 1 1 19 18 5  o 39.123  2.8177 12.615   1.7166  10.140   2.4297  15.083   2.4255  33.602  4.7445 42.057  3.7171 -8.455215      6.027152 
1 1 1 19 18 6  o 15.457  5.4435 2.1401   1.6387  2.4684   2.3866  1.8472   2.2540  16.678  6.4390 15.413  6.1633 1.265547       8.913295 
1 1 1 19 18 7  o 37.839  3.2568 12.005   1.9131  10.788   2.6419  13.348   2.7740  34.363  5.0553 38.646  4.6737 -4.283318      6.884686 
1 1 1 19 18 8  o 21.250  5.3554 4.2902   1.7834  5.0641   2.5159  3.5085   2.5284  22.100  6.6888 18.714  6.7431 3.385756       9.497921 
1 1 1 19 18 9  f 17.468  5.2754 2.8807   1.5662  5.6244   2.4741  1.0459   2.0232  23.451  6.5028 13.629  5.6872 9.821918       8.638926 
1 1 1 19 18 10 o 13.125  5.0168 1.3140   1.4390  0.3689   2.0655  2.2053   2.0059  12.634  5.5168 15.813  5.9514 -3.178884      8.115088 
1 1 1 19 18 11 o 35.671  2.9807 10.583   1.6515  9.3133   2.3202  11.887   2.3514  32.090  4.7560 36.876  4.1390 -4.785294      6.304861 
1 1 1 19 18 12 o 26.058  4.0696 5.9678   1.6081  5.9941   2.3269  5.9437   2.2249  24.547  6.0787 24.644  5.8471 -0.9734726E-01 8.434441 
1 1 1 19 18 13 o 42.072  2.6489 14.540   1.7381  11.501   2.3883  17.962   2.5344  36.077  4.3080 45.970  3.5441 -9.893002      5.578513 
1 1 1 19 18 14 o 25.804  4.0929 5.8725   1.6004  6.1162   2.3238  5.6526   2.2073  24.792  6.0357 23.901  5.9215 0.8906898      8.455400 
1 1 1 19 18 15 o 10.036  4.4917 -0.2307  1.4532  -2.5870  1.9659  2.6078   2.1577  9.0931  4.4121 16.647  6.1906 -7.554093      7.602002 
1 1 1 19 18 16 o 25.386  4.1033 5.7025   1.5773  5.2705   2.2297  6.1352   2.2316  22.835  6.1090 24.985  5.8077 -2.149971      8.429037 
1 1 1 19 18 17 o 7.6404  3.7072 -1.9825  1.3879  1.5522   1.8711  -6.3064  2.0695  14.192  5.6347 7.2802  3.6835 6.912186       6.731820 
1 1 1 19 18 18 o 12.165  4.8216 1.0061   1.3679  0.3712   1.8770  1.7253   1.9977  12.100  5.2721 14.673  5.8231 -2.572482      7.855169 
1 1 1 19 18 19 o 16.787  5.0191 2.6713   1.4230  1.8577   1.8905  3.7348   2.1614  14.800  5.7260 19.056  6.2584 -4.255684      8.482605 
1 1 1 19 18 20 o 18.993  5.1532 3.4665   1.5734  3.1300   2.1823  3.8307   2.2704  17.632  6.2740 19.161  6.4189 -1.528742      8.975835 
1 1 1 19 18 21 o 25.934  4.1057 5.9843   1.6136  5.0793   2.2997  6.8621   2.2648  22.052  6.3241 26.499  5.6257 -4.447550      8.464261 
1 1 1 19 18 22 o 13.145  5.1512 1.3188   1.5451  1.4506   2.2363  1.1984   2.1373  14.396  5.9909 13.842  5.8155 0.5540504      8.349315 
1 1 1 19 18 23 o 34.697  3.1799 10.186   1.7104  10.482   2.3859  9.8722   2.4534  33.910  4.6075 32.547  4.9657 1.362682       6.774048 
1 1 1 19 18 24 o 16.039  5.3207 2.4712   1.5608  1.4744   2.2223  3.4415   2.1927  14.369  5.9752 18.203  6.3035 -3.833837      8.685474 
1 1 1 19 18 25 o 17.795  5.2775 3.0978   1.5780  1.5579   2.2459  4.5990   2.2175  14.513  6.0185 20.881  6.2708 -6.368446      8.691676 
1 1 1 19 18 26 o 13.614  5.2214 1.5421   1.5621  1.7957   2.1484  1.2576   2.2752  14.781  5.9794 14.043  5.9552 0.7379656      8.439103 
1 1 1 19 18 27 o 8.5647  4.0855 -1.4913  1.5261  -2.0891  2.1126  -0.8388  2.2071  9.7965  4.7087 11.206  5.2082 -1.409054      7.021157 
1 1 1 19 18 28 o 19.176  5.2985 3.6394   1.6457  2.3616   2.2179  5.2050   2.4550  15.798  6.1769 21.737  6.6138 -5.939489      9.049654 
1 1 1 19 18 29 o 12.584  5.0203 1.1685   1.4920  0.7140   2.0984  1.6331   2.1219  12.839  5.5844 14.347  5.8898 -1.507504      8.116390 
1 1 1 19 18 30 o 12.738  5.0741 1.2313   1.5220  0.8706   2.1713  1.5797   2.1342  13.149  5.6999 14.217  5.8790 -1.067177      8.188466 
1 1 1 19 18 31 o 17.930  5.3807 3.2534   1.6331  4.8518   2.2825  1.5767   2.3377  20.975  6.3761 14.375  6.0629 6.599828       8.798512 
1 1 1 19 18 32 o 16.106  5.3461 2.6067   1.5757  3.5194   2.2815  1.7743   2.1787  17.833  6.4075 14.464  5.9565 3.368938       8.748487 
1 1 1 19 18 33 o 31.566  3.5264 8.7495   1.7152  7.2724   2.4578  10.152   2.3948  26.073  6.1183 32.598  4.8326 -6.525074      7.796635 
1 1 1 19 18 34 o 60.184  2.2483 29.729   2.1212  29.117   3.0120  30.331   2.9879  57.962  3.3287 59.335  3.2243 -1.373184      4.634289 
1 1 1 19 18 35 o 15.591  5.3842 2.5065   1.5992  2.8364   2.2587  2.1749   2.2646  16.114  6.2521 14.922  6.1005 1.192054       8.735287 
1 1 1 19 18 36 o 31.710  3.5408 8.9506   1.7301  10.000   2.4494  7.9055   2.4441  31.655  5.1100 27.067  5.9244 4.587328       7.823669 
1 1 1 19 18 37 o 19.582  5.5755 4.1736   1.7939  2.9636   2.8648  4.9541   2.3008  15.952  6.7190 20.266  6.4407 -4.313151      9.307417 
1 1 1 19 19 0  o 35.354  5.9752 10.976   3.0277  10.976   3.0277  10.976   3.0277  35.354  5.9752 35.354  5.9752 0.000000       0.000000 
1 1 1 19 19 1  o 13.255  7.0767 2.2997   2.0034  2.2997   2.0034  2.2997   2.0034  13.255  7.0767 13.255  7.0767 0.000000       0.000000 
1 1 1 19 19 2  o 18.515  7.4158 4.0826   2.0896  4.0826   2.0896  4.0826   2.0896  18.515  7.4158 18.515  7.4158 0.000000       0.000000 
1 1 1 19 19 3  o 11.105  6.5764 1.3820   1.9793  1.3820   1.9793  1.3820   1.9793  11.105  6.5764 11.105  6.5764 0.000000       0.000000 
1 1 1 19 19 4  o 23.130  6.7850 5.5214   2.1373  5.5214   2.1373  5.5214   2.1373  23.130  6.7850 23.130  6.7850 0.000000       0.000000 
1 1 1 19 19 5  o 11.249  6.7212 1.3936   2.1012  1.3936   2.1012  1.3936   2.1012  11.249  6.7212 11.249  6.7212 0.000000       0.000000 
1 1 1 19 19 6  o 29.759  4.9182 7.8570   2.1060  7.8570   2.1060  7.8570   2.1060  29.759  4.9182 29.759  4.9182 0.000000       0.000000 
1 1 1 19 19 7  o 18.665  7.3169 4.1023   2.0500  4.1023   2.0500  4.1023   2.0500  18.665  7.3169 18.665  7.3169 0.000000       0.000000 
1 1 1 19 19 8  o 10.204  6.3402 0.8708   2.0381  0.8708   2.0381  0.8708   2.0381  10.204  6.3402 10.204  6.3402 0.000000       0.000000 
1 1 1 19 19 9  o 23.038  6.6332 5.4385   2.0777  5.4385   2.0777  5.4385   2.0777  23.038  6.6332 23.038  6.6332 0.000000       0.000000 
1 1 1 19 19 10 o 11.237  6.5178 1.5002   1.8772  1.5002   1.8772  1.5002   1.8772  11.237  6.5178 11.237  6.5178 0.000000       0.000000 
1 1 1 19 19 11 o 10.032  6.2954 0.7578   2.0603  0.7578   2.0603  0.7578   2.0603  10.032  6.2954 10.032  6.2954 0.000000       0.000000 
1 1 1 19 19 12 o 8.2355  5.5767 -0.7016  2.1343  -0.7016  2.1343  -0.7016  2.1343  8.2355  5.5767 8.2355  5.5767 0.000000       0.000000 
1 1 1 19 19 13 o 29.307  5.7436 7.9442   2.3493  7.9442   2.3493  7.9442   2.3493  29.307  5.7436 29.307  5.7436 0.000000       0.000000 
1 1 1 19 19 14 o 34.298  4.7204 10.244   2.4013  10.244   2.4013  10.244   2.4013  34.298  4.7204 34.298  4.7204 0.000000       0.000000 
1 1 1 19 19 15 o 9.6639  6.4070 -0.1104  2.5614  -0.1104  2.5614  -0.1104  2.5614  9.6639  6.4070 9.6639  6.4070 0.000000       0.000000 
1 1 1 19 19 16 o 42.044  4.3544 15.009   2.7995  15.009   2.7995  15.009   2.7995  42.044  4.3544 42.044  4.3544 0.000000       0.000000 
1 1 1 19 19 17 o 16.077  8.4197 3.6508   2.7931  3.6508   2.7931  3.6508   2.7931  16.077  8.4197 16.077  8.4197 0.000000       0.000000 
1 1 1 19 19 18 o 7.4153  5.1777 -1.7272  2.2034  -1.7272  2.2034  -1.7272  2.2034  7.4153  5.1777 7.4153  5.1777 0.000000       0.000000 
1 1 1 19 19 19 o 24.538  7.0373 6.2677   2.3471  6.2677   2.3471  6.2677   2.3471  24.538  7.0373 24.538  7.0373 0.000000       0.000000 
1 1 1 19 19 20 o 55.642  3.2779 25.294   2.8365  25.294   2.8365  25.294   2.8365  55.642  3.2779 55.642  3.2779 0.000000       0.000000 
1 1 1 19 19 21 o 7.8742  5.3971 -1.0050  2.1318  -1.0050  2.1318  -1.0050  2.1318  7.8742  5.3971 7.8742  5.3971 0.000000       0.000000 
1 1 1 19 19 22 o 33.322  5.0585 9.8930   2.4620  9.8930   2.4620  9.8930   2.4620  33.322  5.0585 33.322  5.0585 0.000000       0.000000 
1 1 1 19 19 23 o 27.745  6.2259 7.4439   2.3639  7.4439   2.3639  7.4439   2.3639  27.745  6.2259 27.745  6.2259 0.000000       0.000000 
1 1 1 19 19 24 o 14.865  7.6984 3.0879   2.3154  3.0879   2.3154  3.0879   2.3154  14.865  7.6984 14.865  7.6984 0.000000       0.000000 
1 1 1 19 19 25 o 12.058  7.0311 1.8768   2.2024  1.8768   2.2024  1.8768   2.2024  12.058  7.0311 12.058  7.0311 0.000000       0.000000 
1 1 1 19 19 26 o 8.6262  5.8090 -0.4397  2.2553  -0.4397  2.2553  -0.4397  2.2553  8.6262  5.8090 8.6262  5.8090 0.000000       0.000000 
1 1 1 19 19 27 o 8.3584  5.6688 -0.6186  2.2232  -0.6186  2.2232  -0.6186  2.2232  8.3584  5.6688 8.3584  5.6688 0.000000       0.000000 
1 1 1 19 19 28 o 30.414  6.6262 9.1219   2.7680  9.1219   2.7680  9.1219   2.7680  30.414  6.6262 30.414  6.6262 0.000000       0.000000 
1 1 1 19 19 29 o 6.6790  4.7958 -3.3301  2.4046  -3.3301  2.4046  -3.3301  2.4046  6.6790  4.7958 6.6790  4.7958 0.000000       0.000000 
1 1 1 19 19 30 o 26.722  8.2660 8.1873   3.0312  8.1873   3.0312  8.1873   3.0312  26.722  8.2660 26.722  8.2660 0.000000       0.000000 
1 1 1 19 19 31 o 9.4706  6.4360 -0.4851  2.8952  -0.4851  2.8952  -0.4851  2.8952  9.4706  6.4360 9.4706  6.4360 0.000000       0.000000 
1 1 1 19 19 32 o 19.022  9.0351 5.5059   3.0685  5.5059   3.0685  5.5059   3.0685  19.022  9.0351 19.022  9.0351 0.000000       0.000000 
1 1 1 20 0  0  o 345.316 4.5487 935.769  24.614  935.769  24.614  935.769  24.614  345.316 4.5487 345.316 4.5487 0.000000       0.000000 
1 1 1 20 0  1  o 229.283 2.4234 412.358  8.7083  412.358  8.7083  412.358  8.7083  229.283 2.4234 229.283 2.4234 0.000000       0.000000 
1 1 1 20 0  2  f 212.799 2.3290 355.198  7.7675  355.198  7.7675  355.198  7.7675  212.799 2.3290 212.799 2.3290 0.000000       0.000000 
1 1 1 20 0  3  o 157.504 2.0657 194.604  5.0986  194.604  5.0986  194.604  5.0986  157.504 2.0657 157.504 2.0657 0.000000       0.000000 
1 1 1 20 0  4  o 61.670  2.4136 29.958   2.3253  29.958   2.3253  29.958   2.3253  61.670  2.4136 61.670  2.4136 0.000000       0.000000 
1 1 1 20 0  5  o 102.056 1.9853 81.753   3.1735  81.753   3.1735  81.753   3.1735  102.056 1.9853 102.056 1.9853 0.000000       0.000000 
1 1 1 20 0  6  o 59.543  2.3705 27.932   2.2047  27.932   2.2047  27.932   2.2047  59.543  2.3705 59.543  2.3705 0.000000       0.000000 
1 1 1 20 0  7  o 179.786 2.1574 253.546  6.0786  253.546  6.0786  253.546  6.0786  179.786 2.1574 179.786 2.1574 0.000000       0.000000 
1 1 1 20 0  8  o 118.750 2.2102 110.685  4.1114  110.685  4.1114  110.685  4.1114  118.750 2.2102 118.750 2.2102 0.000000       0.000000 
1 1 1 20 0  9  f 79.130  2.1268 49.201   2.6340  49.201   2.6340  49.201   2.6340  79.130  2.1268 79.130  2.1268 0.000000       0.000000 
1 1 1 20 0  10 o 121.905 1.9836 116.608  3.7886  116.608  3.7886  116.608  3.7886  121.905 1.9836 121.905 1.9836 0.000000       0.000000 
1 1 1 20 0  11 o 271.685 2.9345 579.121  12.495  579.121  12.495  579.121  12.495  271.685 2.9345 271.685 2.9345 0.000000       0.000000 
1 1 1 20 0  12 o 65.067  2.3584 33.329   2.3984  33.329   2.3984  33.329   2.3984  65.067  2.3584 65.067  2.3584 0.000000       0.000000 
1 1 1 20 0  13 o 116.768 1.9864 106.997  3.6338  106.997  3.6338  106.997  3.6338  116.768 1.9864 116.768 1.9864 0.000000       0.000000 
1 1 1 20 0  14 o 257.124 2.5948 518.632  10.457  518.632  10.457  518.632  10.457  257.124 2.5948 257.124 2.5948 0.000000       0.000000 
1 1 1 20 0  15 o 115.228 1.9644 104.194  3.5461  104.194  3.5461  104.194  3.5461  115.228 1.9644 115.228 1.9644 0.000000       0.000000 
1 1 1 20 0  16 o 18.013  7.1746 3.5241   1.9591  3.5241   1.9591  3.5241   1.9591  18.013  7.1746 18.013  7.1746 0.000000       0.000000 
1 1 1 20 0  17 o 221.528 2.5926 385.035  9.0010  385.035  9.0010  385.035  9.0010  221.528 2.5926 221.528 2.5926 0.000000       0.000000 
1 1 1 20 0  18 o 74.688  2.4141 43.883   2.8198  43.883   2.8198  43.883   2.8198  74.688  2.4141 74.688  2.4141 0.000000       0.000000 
1 1 1 20 0  19 o 166.950 2.2804 218.695  5.9658  218.695  5.9658  218.695  5.9658  166.950 2.2804 166.950 2.2804 0.000000       0.000000 
1 1 1 20 0  20 o 130.309 2.7345 133.366  5.5806  133.366  5.5806  133.366  5.5806  130.309 2.7345 130.309 2.7345 0.000000       0.000000 
1 1 1 20 0  21 o 124.606 2.3726 121.901  4.6309  121.901  4.6309  121.901  4.6309  124.606 2.3726 124.606 2.3726 0.000000       0.000000 
1 1 1 20 0  22 o 390.506 3.8716 1197.47  23.696  1197.47  23.696  1197.47  23.696  390.506 3.8716 390.506 3.8716 0.000000       0.000000 
1 1 1 20 0  23 o 43.967  3.1117 15.394   2.1201  15.394   2.1201  15.394   2.1201  43.967  3.1117 43.967  3.1117 0.000000       0.000000 
1 1 1 20 0  24 o 207.698 2.4835 338.515  8.0836  338.515  8.0836  338.515  8.0836  207.698 2.4835 207.698 2.4835 0.000000       0.000000 
1 1 1 20 0  25 o 116.033 1.9527 105.671  3.5498  105.671  3.5498  105.671  3.5498  116.033 1.9527 116.033 1.9527 0.000000       0.000000 
1 1 1 20 0  26 o 67.690  2.1467 36.044   2.2728  36.044   2.2728  36.044   2.2728  67.690  2.1467 67.690  2.1467 0.000000       0.000000 
1 1 1 20 0  27 o 128.135 1.9592 128.854  3.9334  128.854  3.9334  128.854  3.9334  128.135 1.9592 128.135 1.9592 0.000000       0.000000 
1 1 1 20 0  28 o 142.777 1.9853 159.974  4.4416  159.974  4.4416  159.974  4.4416  142.777 1.9853 142.777 1.9853 0.000000       0.000000 
1 1 1 20 0  29 o 90.896  1.9666 64.893   2.7994  64.893   2.7994  64.893   2.7994  90.896  1.9666 90.896  1.9666 0.000000       0.000000 
1 1 1 20 0  30 o 46.603  2.7206 17.219   1.9721  17.219   1.9721  17.219   1.9721  46.603  2.7206 46.603  2.7206 0.000000       0.000000 
1 1 1 20 0  31 o 59.382  2.2913 27.792   2.1258  27.792   2.1258  27.792   2.1258  59.382  2.2913 59.382  2.2913 0.000000       0.000000 
1 1 1 20 0  32 o 50.571  2.3995 20.206   1.8925  20.206   1.8925  20.206   1.8925  50.571  2.3995 50.571  2.3995 0.000000       0.000000 
1 1 1 20 0  33 o 138.218 2.1507 150.016  4.6576  150.016  4.6576  150.016  4.6576  138.218 2.1507 138.218 2.1507 0.000000       0.000000 
1 1 1 20 0  34 f 20.408  5.7497 3.9719   1.5926  3.9719   1.5926  3.9719   1.5926  20.408  5.7497 20.408  5.7497 0.000000       0.000000 
1 1 1 20 0  35 o 133.579 1.9638 140.101  4.1103  140.101  4.1103  140.101  4.1103  133.579 1.9638 133.579 1.9638 0.000000       0.000000 
1 1 1 20 0  36 o 14.339  6.6560 2.3788   1.6574  2.3788   1.6574  2.3788   1.6574  14.339  6.6560 14.339  6.6560 0.000000       0.000000 
1 1 1 20 0  37 f 124.515 2.1136 121.806  4.1230  121.806  4.1230  121.806  4.1230  124.515 2.1136 124.515 2.1136 0.000000       0.000000 
1 1 1 20 0  38 o 70.914  2.2551 39.606   2.5013  39.606   2.5013  39.606   2.5013  70.914  2.2551 70.914  2.2551 0.000000       0.000000 
1 1 1 20 0  39 o 11.631  6.3687 1.5076   1.6625  1.5076   1.6625  1.5076   1.6625  11.631  6.3687 11.631  6.3687 0.000000       0.000000 
1 1 1 20 0  40 o 126.614 2.1265 125.989  4.2181  125.989  4.2181  125.989  4.2181  126.614 2.1265 126.614 2.1265 0.000000       0.000000 
1 1 1 20 0  41 o 9.0781  5.6157 0.4839   1.5809  0.4839   1.5809  0.4839   1.5809  9.0781  5.6157 9.0781  5.6157 0.000000       0.000000 
1 1 1 20 0  42 o 34.456  3.4164 9.6244   1.8038  9.6244   1.8038  9.6244   1.8038  34.456  3.4164 34.456  3.4164 0.000000       0.000000 
1 1 1 20 0  43 o 30.743  3.5026 7.7333   1.6315  7.7333   1.6315  7.7333   1.6315  30.743  3.5026 30.743  3.5026 0.000000       0.000000 
1 1 1 20 0  44 o 158.457 2.0782 197.346  5.1604  197.346  5.1604  197.346  5.1604  158.457 2.0782 158.457 2.0782 0.000000       0.000000 
1 1 1 20 0  45 o 47.485  2.3640 17.858   1.7498  17.858   1.7498  17.858   1.7498  47.485  2.3640 47.485  2.3640 0.000000       0.000000 
1 1 1 20 0  46 o 5.0356  3.6334 -2.6738  1.4589  -2.6738  1.4589  -2.6738  1.4589  5.0356  3.6334 5.0356  3.6334 0.000000       0.000000 
1 1 1 20 0  47 o 37.054  2.9729 11.024   1.7013  11.024   1.7013  11.024   1.7013  37.054  2.9729 37.054  2.9729 0.000000       0.000000 
1 1 1 20 0  48 o 13.529  6.6837 2.1687   1.7014  2.1687   1.7014  2.1687   1.7014  13.529  6.6837 13.529  6.6837 0.000000       0.000000 
1 1 1 20 0  49 o 33.026  3.3599 8.8746   1.6983  8.8746   1.6983  8.8746   1.6983  33.026  3.3599 33.026  3.3599 0.000000       0.000000 
1 1 1 20 0  50 o 25.139  4.5380 5.4724   1.6154  5.4724   1.6154  5.4724   1.6154  25.139  4.5380 25.139  4.5380 0.000000       0.000000 
1 1 1 20 0  51 o 119.612 1.8098 112.505  3.3919  112.505  3.3919  112.505  3.3919  119.612 1.8098 119.612 1.8098 0.000000       0.000000 
1 1 1 20 0  52 o 21.910  4.7529 4.3072   1.4311  4.3072   1.4311  4.3072   1.4311  21.910  4.7529 21.910  4.7529 0.000000       0.000000 
1 1 1 20 0  53 o 30.698  3.1419 7.6792   1.4757  7.6792   1.4757  7.6792   1.4757  30.698  3.1419 30.698  3.1419 0.000000       0.000000 
1 1 1 20 0  54 o 10.088  5.7827 1.0731   1.4507  1.0731   1.4507  1.0731   1.4507  10.088  5.7827 10.088  5.7827 0.000000       0.000000 
1 1 1 20 0  55 o 9.4544  5.6501 0.7989   1.4855  0.7989   1.4855  0.7989   1.4855  9.4544  5.6501 9.4544  5.6501 0.000000       0.000000 
1 1 1 20 0  56 o 26.731  4.2077 6.1010   1.6327  6.1010   1.6327  6.1010   1.6327  26.731  4.2077 26.731  4.2077 0.000000       0.000000 
1 1 1 20 0  57 o 64.320  2.2302 32.750   2.2426  32.750   2.2426  32.750   2.2426  64.320  2.2302 64.320  2.2302 0.000000       0.000000 
1 1 1 20 0  58 o 14.790  6.1665 2.5056   1.4289  2.5056   1.4289  2.5056   1.4289  14.790  6.1665 14.790  6.1665 0.000000       0.000000 
1 1 1 20 0  59 o 6.9709  4.7902 -1.0824  1.7041  -1.0824  1.7041  -1.0824  1.7041  6.9709  4.7902 6.9709  4.7902 0.000000       0.000000 
1 1 1 20 0  60 o 10.799  6.3566 1.2159   1.8295  1.2159   1.8295  1.2159   1.8295  10.799  6.3566 10.799  6.3566 0.000000       0.000000 
1 1 1 20 0  61 o 19.839  6.7087 4.1931   1.8671  4.1931   1.8671  4.1931   1.8671  19.839  6.7087 19.839  6.7087 0.000000       0.000000 
1 1 1 20 0  62 o 83.119  2.1357 54.765   2.7787  54.765   2.7787  54.765   2.7787  83.119  2.1357 83.119  2.1357 0.000000       0.000000 
1 1 1 20 0  63 o 35.363  3.5433 10.356   1.9190  10.356   1.9190  10.356   1.9190  35.363  3.5433 35.363  3.5433 0.000000       0.000000 
1 1 1 20 0  64 o 37.789  2.9862 11.634   1.7436  11.634   1.7436  11.634   1.7436  37.789  2.9862 37.789  2.9862 0.000000       0.000000 
1 1 1 20 0  65 f 28.971  3.7717 7.1226   1.6327  7.1226   1.6327  7.1226   1.6327  28.971  3.7717 28.971  3.7717 0.000000       0.000000 
1 1 1 20 0  66 o 7.6861  5.0326 -0.0331  1.5056  -0.0331  1.5056  -0.0331  1.5056  7.6861  5.0326 7.6861  5.0326 0.000000       0.000000 
1 1 1 20 0  67 o 15.318  6.6085 2.8642   1.6318  2.8642   1.6318  2.8642   1.6318  15.318  6.6085 15.318  6.6085 0.000000       0.000000 
1 1 1 20 0  68 o 14.237  6.6148 2.5749   1.6371  2.5749   1.6371  2.5749   1.6371  14.237  6.6148 14.237  6.6148 0.000000       0.000000 
1 1 1 20 0  69 o 26.206  4.8016 6.2155   1.7770  6.2155   1.7770  6.2155   1.7770  26.206  4.8016 26.206  4.8016 0.000000       0.000000 
1 1 1 20 0  70 o 7.1627  4.9244 -0.9537  1.8059  -0.9537  1.8059  -0.9537  1.8059  7.1627  4.9244 7.1627  4.9244 0.000000       0.000000 
1 1 1 20 0  71 o 73.094  2.9642 43.461   3.3839  43.461   3.3839  43.461   3.3839  73.094  2.9642 73.094  2.9642 0.000000       0.000000 
1 1 1 20 0  72 o 28.937  5.7405 7.9996   2.3136  7.9996   2.3136  7.9996   2.3136  28.937  5.7405 28.937  5.7405 0.000000       0.000000 
1 1 1 20 1  0  o 159.992 2.0929 200.806  5.2473  200.806  5.2473  200.806  5.2473  159.992 2.0929 159.992 2.0929 0.000000       0.000000 
1 1 1 20 1  1  o 160.029 1.4816 200.804  3.7170  204.120  5.3196  197.641  5.1960  161.316 2.1035 158.735 2.0880 2.580017       2.963901 
1 1 1 20 1  2  o 209.083 1.6331 342.807  5.3527  344.240  7.6024  341.397  7.5377  209.474 2.3151 208.608 2.3049 0.8660126      3.266837 
1 1 1 20 1  3  o 136.380 1.4305 145.837  3.0583  147.088  4.3426  144.606  4.3078  136.941 2.0228 135.781 2.0238 1.160141       2.861401 
1 1 1 20 1  4  o 213.690 1.6523 358.086  5.5351  358.156  7.8204  358.014  7.8351  213.664 2.3348 213.621 2.3396 0.4273987E-01  3.305300 
1 1 1 20 1  5  o 92.881  1.4562 67.644   2.1203  70.003   3.0324  65.388   2.9659  94.471  2.0475 91.303  2.0722 3.167763       2.913112 
1 1 1 20 1  6  o 74.168  1.5647 43.136   1.8193  42.275   2.5653  44.007   2.5804  73.409  2.2291 74.899  2.1977 -1.489174      3.130289 
1 1 1 20 1  7  o 107.782 1.4849 91.091   2.5090  89.295   3.3532  93.375   3.7818  106.698 2.0047 109.100 2.2111 -2.401917      2.984613 
1 1 1 20 1  8  o 158.950 1.4785 198.111  3.6841  204.619  5.3129  192.083  5.1131  161.510 2.0984 156.485 2.0843 5.024841       2.957601 
1 1 1 20 1  9  o 154.696 1.4616 187.646  3.5446  186.434  5.0047  188.865  5.0211  154.167 2.0708 155.169 2.0641 -1.002319      2.923821 
1 1 1 20 1  10 o 211.309 1.6492 350.159  5.4630  346.691  7.6725  353.725  7.7804  210.210 2.3283 212.331 2.3374 -2.120880      3.299117 
1 1 1 20 1  11 f 176.760 1.7513 245.036  4.8529  242.766  6.4818  247.931  7.3207  175.901 2.3506 177.741 2.6273 -1.839539      3.525328 
1 1 1 20 1  12 o 127.305 1.5504 127.088  3.0942  127.073  4.3614  127.103  4.3906  127.270 2.1860 127.284 2.2004 -0.1436615E-01 3.101612 
1 1 1 20 1  13 o 82.494  1.6334 53.368   2.1124  49.184   2.9119  58.017   3.0691  79.173  2.3461 85.992  2.2767 -6.818504      3.269174 
1 1 1 20 1  14 o 102.379 1.5758 82.196   2.5292  82.790   3.5601  81.591   3.5938  102.725 2.2107 101.977 2.2480 0.7484360      3.152878 
1 1 1 20 1  15 o 153.990 1.7579 185.982  4.2438  186.400  5.9900  185.561  6.0133  154.117 2.4793 153.769 2.4945 0.3484955      3.517027 
1 1 1 20 1  16 o 143.817 1.7128 162.218  3.8617  164.600  5.5002  159.903  5.4231  144.826 2.4226 142.745 2.4234 2.081177       3.426642 
1 1 1 20 1  17 o 87.307  1.5691 59.778   2.1476  63.553   3.1100  56.338   2.9691  89.999  2.2043 84.735  2.2352 5.263908       3.139267 
1 1 1 20 1  18 o 113.688 1.5018 101.359  2.6766  100.767  3.7675  101.963  3.8032  113.328 2.1206 113.998 2.1281 -0.6700897     3.004313 
1 1 1 20 1  19 o 141.381 1.6201 156.769  3.5908  159.476  5.4517  154.694  4.7722  142.543 2.4397 140.410 2.1680 2.133804       3.263817 
1 1 1 20 1  20 o 28.464  3.0144 6.4350   1.3246  7.0161   1.7782  5.7105   1.9854  29.608  3.9280 26.491  4.9631 3.117077       6.329417 
1 1 1 20 1  21 o 169.230 1.5583 224.615  4.1342  222.064  6.1039  226.777  5.6193  168.206 2.3148 170.001 2.1085 -1.794449      3.131151 
1 1 1 20 1  22 o 175.159 1.5726 240.638  4.3183  239.647  5.8268  241.846  6.4319  174.751 2.1269 175.530 2.3374 -0.7787628     3.160269 
1 1 1 20 1  23 o 75.825  1.5758 45.097   1.8731  46.453   2.5454  43.494   2.7664  76.937  2.1104 74.434  2.3708 2.503075       3.174033 
1 1 1 20 1  24 o 106.106 1.4501 88.301   2.4121  88.177   3.2755  88.448   3.5654  106.004 1.9711 106.156 2.1425 -0.1523361     2.911253 
1 1 1 20 1  25 o 95.965  1.4516 72.232   2.1839  74.920   2.9992  69.199   3.1861  97.708  1.9581 93.891  2.1647 3.817245       2.918852 
1 1 1 20 1  26 o 54.134  1.7777 22.995   1.5086  24.084   2.0873  21.803   2.1830  55.378  2.4044 52.613  2.6553 2.764961       3.582135 
1 1 1 20 1  27 o 50.633  1.9073 20.121   1.5139  20.440   2.1507  19.808   2.1314  50.928  2.7035 50.130  2.7224 0.7984848      3.836737 
1 1 1 20 1  28 o 54.389  1.8593 23.218   1.5853  19.894   2.1722  27.006   2.3188  50.229  2.7694 58.626  2.5230 -8.396873      3.746333 
1 1 1 20 1  29 o 35.947  2.3911 10.197   1.3397  10.305   1.9155  10.094   1.8745  36.009  3.4350 35.641  3.3960 0.3684578      4.830318 
1 1 1 20 1  30 o 149.197 1.6312 174.687  3.8151  176.594  5.6931  173.132  5.1400  149.901 2.4227 148.457 2.2086 1.443604       3.278274 
1 1 1 20 1  31 o 50.605  1.9248 20.109   1.5269  20.298   2.1677  19.923   2.1512  50.723  2.7362 50.250  2.7412 0.4729233      3.873157 
1 1 1 20 1  32 o 48.873  1.9713 18.761   1.5104  19.847   2.1490  17.700   2.1232  50.146  2.7440 47.332  2.8750 2.814110       3.974319 
1 1 1 20 1  33 o 81.920  1.6126 52.679   2.0710  55.046   3.1364  50.849   2.7577  83.667  2.3912 80.436  2.1870 3.231323       3.240514 
1 1 1 20 1  34 o 33.106  2.4330 8.6674   1.2538  8.0193   1.7931  9.2875   1.7539  31.648  3.6830 34.151  3.3179 -2.502953      4.957099 
1 1 1 20 1  35 o 97.068  1.4293 73.952   2.1750  75.617   3.2595  72.616   2.9201  98.078  2.1200 96.135  1.9376 1.942818       2.872030 
1 1 1 20 1  36 o 87.440  1.4520 60.016   1.9903  59.934   2.9516  60.085   2.6953  87.304  2.1566 87.437  1.9663 -0.1334457     2.918461 
1 1 1 20 1  37 o 9.6716  4.1379 -0.0359  1.1159  -0.3064  1.6090  0.2148   1.5489  11.146  4.8682 11.859  4.9647 -0.7125931     6.953241 
1 1 1 20 1  38 o 28.444  2.6113 6.4277   1.1514  6.8658   1.6432  6.0052   1.6138  29.223  3.6676 27.257  3.8869 1.966373       5.344105 
1 1 1 20 1  39 o 131.328 1.3392 135.385  2.7571  132.263  3.9667  138.303  3.8350  129.699 1.9509 132.648 1.8442 -2.949829      2.684618 
1 1 1 20 1  40 o 127.133 1.3369 126.885  2.6645  124.637  3.8421  128.968  3.6984  125.894 1.9467 128.084 1.8419 -2.190170      2.679980 
1 1 1 20 1  41 o 121.097 1.3226 115.128  2.5109  111.677  3.5975  118.405  3.5061  119.163 1.9258 122.721 1.8224 -3.558235      2.651402 
1 1 1 20 1  42 o 59.425  1.5289 27.742   1.4243  26.697   2.0734  28.675   1.9600  58.218  2.2718 60.361  2.0713 -2.142933      3.074320 
1 1 1 20 1  43 o 57.119  1.5312 25.633   1.3711  25.395   1.9814  25.853   1.8992  56.779  2.2260 57.302  2.1142 -0.5233345     3.070043 
1 1 1 20 1  44 o 27.077  2.8699 5.8598   1.1997  5.6868   1.7324  6.0191   1.6629  26.349  4.3454 27.204  4.0203 -0.8548508     5.919894 
1 1 1 20 1  45 o 87.714  1.3356 60.424   1.8365  61.376   2.6650  59.564   2.5344  88.310  1.9250 87.009  1.8581 1.300987       2.675459 
1 1 1 20 1  46 o 39.707  1.9472 12.412   1.2121  11.501   1.8243  13.132   1.6218  37.977  3.0911 40.700  2.5547 -2.723778      4.010159 
1 1 1 20 1  47 o 52.908  1.5999 22.009   1.3270  23.901   1.9701  20.438   1.7954  55.049  2.2829 50.908  2.2497 4.140129       3.205106 
1 1 1 20 1  48 o 36.479  2.0193 10.516   1.1503  10.316   1.7061  10.683   1.5575  35.941  3.0571 36.646  2.7306 -0.7053833     4.099030 
1 1 1 20 1  49 o 7.8991  3.5932 -0.5817  0.9747  0.2972   1.4357  -1.3333  1.3276  11.544  4.8018 8.4414  3.9611 3.102730       6.224724 
1 1 1 20 1  50 o 31.941  2.5162 8.1172   1.2498  8.4001   1.6592  7.7461   1.9001  32.323  3.3216 30.843  4.0258 1.480507       5.219164 
1 1 1 20 1  51 f 67.999  1.6086 36.384   1.7148  36.853   2.2811  35.776   2.6002  68.335  2.1294 67.251  2.4664 1.083839       3.258396 
1 1 1 20 1  52 o 61.203  1.8119 29.516   1.7385  31.516   2.4762  27.572   2.4412  63.092  2.5036 58.978  2.6404 4.113449       3.638614 
1 1 1 20 1  53 o 53.843  1.6947 22.837   1.4304  21.848   2.2895  23.471   1.8320  52.370  2.7989 54.504  2.1441 -2.134369      3.525785 
1 1 1 20 1  54 o 59.591  1.6222 27.972   1.5154  30.745   2.2477  25.660   2.0519  62.322  2.3006 56.936  2.2989 5.385281       3.252317 
1 1 1 20 1  55 o 15.349  4.2564 1.9729   1.0599  4.3221   1.5561  -0.0603  1.4477  22.652  4.5403 10.812  4.6704 11.84029       6.513604 
1 1 1 20 1  56 o 53.275  1.5497 22.363   1.2943  22.344   1.8177  22.383   1.8433  53.116  2.1830 53.156  2.2120 -0.3999329E-01 3.107832 
1 1 1 20 1  57 o 37.582  1.9583 11.201   1.1498  10.396   1.5972  12.066   1.6565  35.967  2.8563 38.801  2.7408 -2.834259      3.958600 
1 1 1 20 1  58 o 61.785  1.6537 30.132   1.6017  28.417   2.2582  31.868   2.2723  59.769  2.4100 63.339  2.2884 -3.570847      3.323433 
1 1 1 20 1  59 o 16.026  4.4466 2.1904   1.1564  2.9360   1.6677  1.4999   1.6049  18.390  5.4180 14.477  5.3479 3.913116       7.612819 
1 1 1 20 1  60 o 48.836  1.8909 18.896   1.4476  19.903   2.0973  17.980   2.0007  49.777  2.6977 47.300  2.7094 2.477150       3.823439 
1 1 1 20 1  61 o 61.206  1.8299 29.685   1.7558  28.779   2.8007  30.272   2.2537  59.651  3.0046 61.599  2.3339 -1.948914      3.804575 
1 1 1 20 1  62 o 64.187  2.0867 32.785   2.0997  38.744   3.5894  29.685   2.5890  68.990  3.3188 60.760  2.7180 8.229221       4.289750 
1 1 1 20 1  63 o 7.2532  3.5251 -2.0488  1.2685  -3.6160  1.7538  -0.3295  1.8370  7.8717  3.8894 11.448  5.0919 -3.576012      6.407477 
1 1 1 20 1  64 o 24.238  4.3706 5.0649   1.5996  4.9345   2.0420  5.2719   2.5735  23.274  5.6529 23.533  6.6703 -0.2594013     8.743453 
1 1 1 20 1  65 o 12.836  4.8290 1.1614   1.3204  2.8927   1.8761  -0.5378  1.8586  17.955  5.8275 11.171  5.0331 6.783695       7.700147 
1 1 1 20 1  66 o 45.740  1.9638 16.665   1.4081  16.908   1.9787  16.415   2.0044  45.633  2.7792 44.913  2.8617 0.7194252      3.989129 
1 1 1 20 1  67 o 27.984  2.7966 6.4044   1.2104  7.9675   1.7068  4.8230   1.7168  30.848  3.5970 23.289  4.8594 7.559031       6.045867 
1 1 1 20 1  68 o 22.397  3.4626 4.2279   1.1765  3.9675   1.5661  4.5652   1.7825  21.033  4.8492 22.419  5.1764 -1.386440      7.092932 
1 1 1 20 1  69 o 15.153  4.5428 2.0270   1.1645  2.8238   1.5735  1.0621   1.7315  17.568  5.2838 13.336  5.3774 4.231615       7.538903 
1 1 1 20 1  70 o 25.915  3.2368 5.6254   1.2863  5.3589   1.8303  5.8855   1.8081  24.286  4.9746 25.688  4.6616 -1.402248      6.817466 
1 1 1 20 1  71 o 29.298  3.9279 7.4172   1.7586  8.4931   2.3914  6.1501   2.5952  30.385  5.2079 24.615  6.5931 5.769865       8.401812 
1 1 1 20 1  72 o 17.103  5.4610 2.7901   1.6526  2.7147   2.4906  2.8494   2.2089  17.058  6.5799 17.219  6.2877 -0.1617527     9.101117 
1 1 1 20 2  0  o 160.094 2.0976 201.073  5.2624  201.073  5.2624  201.073  5.2624  160.094 2.0976 160.094 2.0976 0.000000       0.000000 
1 1 1 20 2  1  o 109.296 1.4215 93.668   2.4357  92.705   3.4448  94.632   3.4443  108.711 2.0213 109.836 2.0003 -1.124969      2.843757 
1 1 1 20 2  2  f 80.223  1.5168 50.467   1.9076  51.607   2.7454  49.402   2.6526  81.106  2.1592 79.356  2.1322 1.750572       3.034579 
1 1 1 20 2  3  o 109.846 1.4350 94.615   2.4711  93.419   3.4928  95.813   3.4966  109.128 2.0417 110.519 2.0181 -1.390343      2.870768 
1 1 1 20 2  4  o 113.642 1.4999 101.271  2.6721  102.499  3.6250  99.810   3.9541  114.309 2.0229 112.790 2.2363 1.519157       3.015463 
1 1 1 20 2  5  o 172.122 1.6696 232.341  4.5052  236.656  6.4363  228.197  6.3082  173.667 2.3641 170.535 2.3596 3.131699       3.340154 
1 1 1 20 2  6  o 66.645  1.8101 34.836   1.8912  34.186   2.6318  35.530   2.7193  66.000  2.5437 67.284  2.5781 -1.284393      3.621698 
1 1 1 20 2  7  o 34.528  2.9457 9.4283   1.5792  7.2851   2.0336  12.685   2.5066  30.109  4.4417 39.961  4.0576 -9.851229      6.016046 
1 1 1 20 2  8  o 37.865  2.8041 11.317   1.6527  12.909   2.4081  9.8991   2.2722  40.341  3.8547 35.230  4.1968 5.111530       5.698468 
1 1 1 20 2  9  o 246.294 2.3433 475.999  9.0475  472.938  11.871  480.241  13.975  245.403 3.0857 247.204 3.6062 -1.801910      4.746164 
1 1 1 20 2  10 o 133.294 1.9900 139.377  4.1584  139.732  5.7578  138.989  6.0122  133.414 2.7529 133.049 2.8825 0.3648987      3.985893 
1 1 1 20 2  11 o 119.613 1.6334 112.207  3.0628  113.918  4.1486  110.159  4.5408  120.494 2.1962 118.476 2.4448 2.018723       3.286421 
1 1 1 20 2  12 o 78.910  1.8060 48.841   2.2342  49.808   3.1713  47.888   3.1479  79.660  2.5395 78.108  2.5708 1.551537       3.613615 
1 1 1 20 2  13 o 55.073  2.1482 23.797   1.8547  23.120   2.6126  24.485   2.6334  54.167  3.0895 55.754  3.0243 -1.587116      4.323314 
1 1 1 20 2  14 o 51.920  2.0940 21.150   1.7044  19.444   2.3692  22.981   2.4538  49.661  3.0581 54.017  2.9084 -4.356232      4.220259 
1 1 1 20 2  15 o 133.894 1.5529 140.601  3.2596  140.952  4.5903  140.243  4.6296  134.025 2.1847 133.686 2.2090 0.3390350      3.106919 
1 1 1 20 2  16 o 85.550  1.6181 57.403   2.1701  54.411   3.0281  60.561   3.1115  83.263  2.3199 87.846  2.2594 -4.582222      3.238364 
1 1 1 20 2  17 o 9.2480  4.1857 -0.7423  1.3025  -1.6922  1.8060  0.2873   1.8802  10.065  4.6890 13.184  5.4904 -3.119357      7.220170 
1 1 1 20 2  18 o 39.280  2.4797 12.161   1.5191  11.707   2.1601  12.605   2.1367  38.412  3.6302 39.893  3.4506 -1.480412      5.008510 
1 1 1 20 2  19 f 147.782 1.5746 171.300  3.6478  170.556  5.1319  172.061  5.1862  147.412 2.2207 148.060 2.2344 -0.6479034     3.150246 
1 1 1 20 2  20 f 60.136  1.8121 28.372   1.7083  29.490   2.3973  27.218   2.4349  61.284  2.4953 58.870  2.6384 2.414330       3.631463 
1 1 1 20 2  21 f 75.612  1.5617 44.846   1.8512  44.925   2.7138  44.777   2.5316  75.647  2.2884 75.530  2.1381 0.1171875      3.131806 
1 1 1 20 2  22 o 35.706  2.3644 10.055   1.3160  9.0409   1.9067  10.977   1.8186  33.693  3.6692 37.233  3.1452 -3.539505      4.832718 
1 1 1 20 2  23 o 107.581 1.4484 90.782   2.4427  95.138   3.6928  87.394   3.2571  110.085 2.1398 105.522 1.9689 4.562782       2.907844 
1 1 1 20 2  24 o 18.592  4.2317 2.8350   1.2056  3.4415   1.7907  2.3321   1.6306  20.489  5.4718 17.250  5.4148 3.238605       7.698130 
1 1 1 20 2  25 o 60.997  1.6783 29.195   1.6049  30.913   2.3988  27.803   2.1593  62.728  2.4394 59.496  2.3152 3.232071       3.363088 
1 1 1 20 2  26 o 55.203  1.7476 23.916   1.5124  23.707   2.2277  24.096   2.0599  54.919  2.5875 55.380  2.3726 -0.4608536     3.510620 
1 1 1 20 2  27 o 173.358 1.5689 235.824  4.2638  236.978  6.3348  234.868  5.7651  173.669 2.3268 172.928 2.1266 0.7407532      3.152215 
1 1 1 20 2  28 o 81.196  1.4288 51.727   1.8187  51.780   2.5550  51.672   2.5893  81.200  2.0072 81.113  2.0363 0.8715820E-01  2.859267 
1 1 1 20 2  29 o 22.684  3.2946 4.1388   1.1373  3.4991   1.5773  4.8317   1.6415  20.594  4.9474 24.332  4.4680 -3.737587      6.666306 
1 1 1 20 2  30 o 79.821  1.4874 50.002   1.8612  49.146   2.6532  50.830   2.6116  79.085  2.1401 80.435  2.0711 -1.349617      2.978178 
1 1 1 20 2  31 o 47.359  1.9438 17.619   1.4432  19.630   1.9143  14.971   2.1967  49.957  2.4443 43.451  3.2483 6.505730       4.065254 
1 1 1 20 2  32 o 82.099  1.5082 52.908   1.9411  52.665   2.6055  53.210   2.9099  81.864  2.0302 82.262  2.2564 -0.3983536     3.035308 
1 1 1 20 2  33 o 52.481  1.8314 21.637   1.5068  20.417   1.8886  23.772   2.4992  50.943  2.3649 54.841  2.9175 -3.897686      3.755560 
1 1 1 20 2  34 o 18.677  3.9244 2.8655   1.1125  3.5480   1.5423  2.1252   1.6063  20.701  4.8392 16.563  5.3931 4.138062       7.245937 
1 1 1 20 2  35 o 97.512  1.3843 74.638   2.1162  73.222   2.9244  76.195   3.0661  96.518  1.9327 98.450  1.9866 -1.932457      2.771671 
1 1 1 20 2  36 o 30.321  2.5083 7.2905   1.1816  7.4330   1.6451  7.1386   1.6981  30.452  3.5103 29.794  3.7165 0.6575356      5.112161 
1 1 1 20 2  37 o 29.247  2.5192 6.7889   1.1438  6.1771   1.5595  7.5012   1.6825  27.682  3.6852 30.572  3.5783 -2.889828      5.136632 
1 1 1 20 2  38 o 53.139  1.6692 22.187   1.3905  21.767   1.8964  22.676   2.0450  52.576  2.3009 53.649  2.4316 -1.072872      3.347607 
1 1 1 20 2  39 o 90.213  1.4078 63.908   1.9910  62.587   2.7237  65.423   2.9177  89.203  1.9477 91.185  2.0411 -1.982674      2.821321 
1 1 1 20 2  40 o 40.925  1.9338 13.175   1.2407  13.924   1.7164  12.356   1.7955  41.928  2.6245 39.435  2.9252 2.493099       3.929958 
1 1 1 20 2  41 o 80.768  1.4391 51.240   1.8221  49.216   2.5066  53.509   2.6534  79.077  2.0220 82.448  2.0529 -3.371040      2.881469 
1 1 1 20 2  42 o 75.716  1.4703 45.039   1.7452  42.801   2.3897  47.598   2.5548  73.729  2.0675 77.746  2.0962 -4.016922      2.944231 
1 1 1 20 2  43 o 123.680 1.4733 120.188  2.8567  120.630  3.7926  119.608  4.3429  123.796 1.9543 123.187 2.2488 0.6091995      2.979333 
1 1 1 20 2  44 o 63.669  1.6382 31.872   1.6351  30.911   2.3959  32.710   2.2371  62.584  2.4421 64.419  2.2152 -1.834770      3.297107 
1 1 1 20 2  45 o 48.579  1.7787 18.568   1.3546  20.143   1.8891  16.901   1.9433  50.522  2.3852 46.158  2.6973 4.364017       3.600637 
1 1 1 20 2  46 o 10.260  4.1967 0.3196   1.0724  -0.4886  1.3967  1.4806   1.6740  9.9603  4.4345 14.886  5.4679 -4.925968      7.040062 
1 1 1 20 2  47 o 25.127  2.8654 5.0651   1.1085  7.3746   1.5361  2.5557   1.6012  30.287  3.2882 17.631  5.3362 12.65636       6.267940 
1 1 1 20 2  48 o 13.705  4.3921 1.4838   1.0682  1.5485   1.4844  1.4144   1.5383  14.640  5.1782 14.401  5.2489 0.2385521      7.373253 
1 1 1 20 2  49 o 10.838  4.2627 0.5669   1.0616  0.3312   1.4820  0.8153   1.5215  11.751  4.8824 12.907  5.0947 -1.155982      7.056438 
1 1 1 20 2  50 o 12.569  4.3749 1.1563   1.0568  0.8563   1.4543  1.4920   1.5384  12.792  5.0018 14.563  5.2581 -1.771289      7.257061 
1 1 1 20 2  51 o 15.229  4.2485 1.9289   1.0527  3.3567   1.4392  0.2862   1.5437  19.947  4.6828 11.837  4.9560 8.109620       6.818398 
1 1 1 20 2  52 o 51.252  1.6666 20.694   1.3391  20.261   1.8032  21.226   1.9994  50.604  2.2730 51.753  2.4644 -1.148769      3.352633 
1 1 1 20 2  53 o 65.877  1.6063 34.188   1.6589  33.315   2.1100  35.601   2.6846  64.922  2.0732 66.967  2.5572 -2.045494      3.291959 
1 1 1 20 2  54 o 36.562  2.3615 10.643   1.3463  9.9490   1.6199  12.194   2.4209  35.185  2.9645 38.587  4.0630 -3.402153      5.029553 
1 1 1 20 2  55 o 41.103  2.0305 13.367   1.3083  14.685   1.7369  11.638   1.9892  42.882  2.5960 37.903  3.3833 4.978611       4.264511 
1 1 1 20 2  56 o 84.079  1.6599 55.787   2.1879  56.574   2.8486  54.654   3.4165  84.477  2.1510 82.800  2.6321 1.677216       3.399198 
1 1 1 20 2  57 o 41.504  2.1207 13.698   1.3752  13.231   2.0551  14.077   1.8506  40.391  3.2737 41.841  2.8381 -1.449844      4.332654 
1 1 1 20 2  58 o 41.948  2.2060 14.024   1.4456  13.917   2.0496  14.129   2.0392  41.424  3.1804 41.759  3.1380 -0.3342247     4.467844 
1 1 1 20 2  59 o 15.071  4.8213 1.9011   1.2876  0.8948   1.7735  3.0229   1.8725  13.442  5.4344 18.562  5.7987 -5.120015      7.947210 
1 1 1 20 2  60 o 75.003  1.7590 44.556   2.0682  44.325   2.8264  44.822   3.0343  74.465  2.4212 74.777  2.5884 -0.3123016     3.544338 
1 1 1 20 2  61 o 54.569  2.1563 23.732   1.8446  22.845   2.3093  25.294   3.0657  53.184  2.7795 55.466  3.5443 -2.281994      4.504147 
1 1 1 20 2  62 o 43.169  2.8450 15.117   1.9145  14.210   2.8428  15.869   2.5900  40.830  4.5170 43.656  3.8229 -2.825287      5.917608 
1 1 1 20 2  63 o 29.303  3.3467 7.1092   1.5098  5.3318   2.2229  8.6314   2.0571  24.017  5.9376 31.851  4.2241 -7.833382      7.286865 
1 1 1 20 2  64 o 31.080  3.3688 8.0075   1.6151  6.3327   1.8781  12.763   3.1649  26.974  4.6067 37.795  5.5031 -10.82099      7.176713 
1 1 1 20 2  65 o 10.568  4.5657 0.0754   1.3839  0.3604   1.7205  -0.4468  2.3289  12.101  5.1566 12.555  5.6476 -0.4544134     7.647635 
1 1 1 20 2  66 o 14.134  5.1100 1.5906   1.4537  1.8625   1.9095  1.2158   2.2420  15.410  5.8053 14.707  6.0477 0.7034273      8.383114 
1 1 1 20 2  67 o 39.842  2.7209 12.930   1.6893  11.948   2.1551  14.495   2.7205  37.702  3.6936 41.094  4.2860 -3.391911      5.657948 
1 1 1 20 2  68 o 14.285  4.7687 1.7539   1.2531  0.0995   1.5831  4.5293   2.0504  11.153  4.8508 21.812  5.8680 -10.65932      7.613403 
1 1 1 20 2  69 o 8.1905  3.8952 -1.4388  1.3656  -3.2575  1.7041  1.8256   2.2831  7.8332  3.8636 15.566  6.2102 -7.733112      7.313951 
1 1 1 20 2  70 o 30.180  3.7726 7.8242   1.7459  6.9080   2.3973  8.8591   2.5479  26.745  5.8780 30.756  5.4856 -4.010412      8.040064 
1 1 1 20 2  71 o 24.926  4.7790 5.7039   1.7994  5.7152   2.2153  5.6820   3.0852  24.015  5.9216 22.445  7.4822 1.569380       9.541986 
1 1 1 20 3  0  o 197.572 4.0709 306.839  12.597  306.839  12.597  306.839  12.597  197.572 4.0709 197.572 4.0709 0.000000       0.000000 
1 1 1 20 3  1  o 53.136  4.2039 22.354   3.4732  18.064   5.7886  24.768   4.3416  47.018  8.1487 55.838  5.0132 -8.819592      9.567286 
1 1 1 20 3  2  o 96.931  3.8501 73.886   5.8504  74.898   8.4892  72.970   8.0738  97.260  5.5913 96.031  5.3848 1.228661       7.762618 
1 1 1 20 3  3  o 91.836  3.0816 66.246   4.4365  63.533   7.4750  67.722   5.5124  89.590  5.3467 92.803  3.7890 -3.213081      6.553097 
1 1 1 20 3  4  o 243.806 2.5391 466.591  9.7044  459.079  13.581  474.428  13.872  241.664 3.5848 245.667 3.6020 -4.003220      5.081822 
1 1 1 20 3  5  o 78.320  2.2474 48.135   2.7593  49.218   3.8939  47.042   3.9107  79.153  3.1381 77.379  3.2238 1.774017       4.498959 
1 1 1 20 3  6  o 125.443 2.0227 123.459  3.9777  121.286  5.5721  125.716  5.6800  124.277 2.8600 126.526 2.8636 -2.248993      4.047253 
1 1 1 20 3  7  f 78.152  2.2149 47.929   2.7136  43.693   4.8377  49.873   3.2778  74.397  4.1646 79.703  2.6234 -5.306633      4.922008 
1 1 1 20 3  8  o 54.434  2.1550 23.251   1.8389  24.713   2.7563  22.077   2.4686  55.997  3.1527 52.932  2.9872 3.064732       4.343111 
1 1 1 20 3  9  o 131.341 1.6668 135.305  3.4319  134.212  5.1746  136.163  4.5855  130.754 2.5245 131.723 2.2206 -0.9692688     3.362141 
1 1 1 20 3  10 o 39.003  2.6799 12.001   1.6286  10.839   2.1644  13.518   2.4728  36.929  3.7926 41.274  3.8667 -4.345314      5.416181 
1 1 1 20 3  11 o 51.872  2.0703 21.113   1.6835  19.465   2.3932  22.728   2.3688  49.679  3.0882 53.720  2.8227 -4.041649      4.183816 
1 1 1 20 3  12 o 74.064  1.7086 43.029   1.9838  44.853   2.8903  41.405   2.7278  75.588  2.4392 72.626  2.3959 2.961266       3.419027 
1 1 1 20 3  13 o 39.969  2.4066 12.586   1.5009  11.649   2.1159  13.535   2.1292  38.322  3.5628 41.364  3.3114 -3.041271      4.864047 
1 1 1 20 3  14 o 53.573  1.9815 22.521   1.6641  21.735   2.3312  23.337   2.3764  52.525  2.8417 54.435  2.7941 -1.910286      3.985260 
1 1 1 20 3  15 o 99.344  1.5803 77.413   2.4612  75.044   3.4645  79.826   3.4970  97.776  2.2602 100.846 2.2120 -3.069710      3.162530 
1 1 1 20 3  16 o 136.849 1.5721 146.901  3.3727  158.517  4.9743  137.017  4.5885  142.104 2.2329 132.118 2.2154 9.986313       3.145451 
1 1 1 20 3  17 o 151.420 1.5996 179.859  3.7971  181.691  5.4262  178.101  5.3153  152.128 2.2753 150.620 2.2511 1.507813       3.200670 
1 1 1 20 3  18 o 36.117  2.5568 10.297   1.4383  11.279   2.0755  9.3904   1.9950  37.691  3.5545 34.330  3.7689 3.361111       5.180665 
1 1 1 20 3  19 o 88.946  1.5886 62.066   2.2151  61.475   3.1185  62.667   3.1470  88.484  2.2482 89.337  2.2470 -0.8532104     3.178597 
1 1 1 20 3  20 o 78.279  1.7216 48.081   2.1126  50.793   3.2128  46.016   2.8041  80.405  2.5489 76.545  2.3368 3.860214       3.457965 
1 1 1 20 3  21 o 79.644  1.6430 49.771   2.0514  49.238   2.8721  50.326   2.9311  79.177  2.3139 80.045  2.3358 -0.8687592     3.287897 
1 1 1 20 3  22 o 72.958  1.6419 41.768   1.8779  42.271   2.6944  41.293   2.6186  73.355  2.3431 72.504  2.3038 0.8514099      3.285971 
1 1 1 20 3  23 o 67.026  1.8132 35.264   1.9052  33.973   2.5390  36.927   2.8822  65.749  2.4633 68.531  2.6828 -2.782036      3.642134 
1 1 1 20 3  24 o 35.523  2.5176 9.9693   1.3930  9.7998   1.9671  10.140   1.9729  35.069  3.6306 35.688  3.5744 -0.6185608     5.094823 
1 1 1 20 3  25 o 40.192  2.2944 12.735   1.4397  10.186   1.9377  15.877   2.1509  35.775  3.4999 44.798  3.0815 -9.023239      4.663082 
1 1 1 20 3  26 o 134.590 1.5503 142.163  3.2709  142.920  4.6454  141.419  4.6064  134.864 2.1972 134.155 2.1903 0.7086792      3.102450 
1 1 1 20 3  27 f 126.342 1.4694 125.265  2.9104  125.932  4.3085  124.706  3.9471  126.589 2.1711 125.996 1.9983 0.5926514      2.950751 
1 1 1 20 3  28 o 43.137  2.0304 14.620   1.3730  18.279   2.1247  11.997   1.7992  48.097  2.8304 38.910  2.9721 9.186600       4.104213 
1 1 1 20 3  29 o 113.343 1.4647 100.830  2.6025  100.858  3.8591  100.806  3.5245  113.269 2.1733 113.267 1.9849 0.1396179E-02  2.943340 
1 1 1 20 3  30 o 104.750 1.5251 86.137   2.5043  82.511   3.8137  88.886   3.3207  102.410 2.3754 106.351 1.9917 -3.940880      3.099958 
1 1 1 20 3  31 o 44.734  2.0395 15.731   1.4302  17.238   2.0089  14.182   2.0367  46.692  2.7568 42.285  3.0939 4.407398       4.143949 
1 1 1 20 3  32 o 81.982  1.5769 52.777   2.0266  50.447   2.8194  55.269   2.9151  80.077  2.2459 83.820  2.2184 -3.743317      3.156825 
1 1 1 20 3  33 o 77.709  1.6057 47.427   1.9561  48.695   2.7712  46.168   2.7614  78.666  2.2471 76.590  2.2999 2.075882       3.215426 
1 1 1 20 3  34 o 66.920  1.6008 35.176   1.6793  36.660   2.7364  34.279   2.1270  68.208  2.5591 66.018  2.0552 2.190285       3.282230 
1 1 1 20 3  35 f 87.531  1.4316 60.160   1.9644  62.501   3.0779  58.550   2.5517  89.112  2.2032 86.297  1.8862 2.815086       2.900329 
1 1 1 20 3  36 o 47.708  1.8232 17.894   1.3636  17.248   2.1118  18.356   1.7858  46.645  2.9024 48.272  2.3598 -1.626961      3.740639 
1 1 1 20 3  37 o 69.427  1.5396 37.866   1.6757  37.458   2.5812  38.163   2.2031  68.944  2.3882 69.644  2.0179 -0.6993256     3.126569 
1 1 1 20 3  38 o 44.715  1.8838 15.727   1.3205  14.682   1.9858  16.556   1.7680  42.994  2.9645 45.755  2.4741 -2.761681      3.861214 
1 1 1 20 3  39 o 112.799 1.4057 99.935   2.4858  95.388   3.7604  103.465  3.3129  110.047 2.1797 114.690 1.8426 -4.643700      2.854182 
1 1 1 20 3  40 o 51.056  1.7650 20.501   1.4127  19.930   2.1219  20.956   1.8932  50.155  2.7088 51.554  2.3425 -1.398815      3.581204 
1 1 1 20 3  41 o 76.575  1.4903 46.076   1.7891  44.591   2.7198  47.209   2.3753  75.201  2.3070 77.442  1.9566 -2.240845      3.025008 
1 1 1 20 3  42 o 99.039  1.3604 77.050   2.1122  79.278   3.1403  75.209   2.8543  100.337 1.9965 97.757  1.8625 2.579170       2.730333 
1 1 1 20 3  43 o 67.732  1.4827 36.055   1.5743  33.716   2.2713  38.218   2.1841  65.391  2.2156 69.658  2.0001 -4.266838      2.984867 
1 1 1 20 3  44 o 18.964  4.1440 2.9877   1.1976  2.1935   1.9287  3.4861   1.5278  17.065  5.9118 20.393  4.8498 -3.327831      7.646502 
1 1 1 20 3  45 o 82.814  1.4038 53.898   1.8225  53.315   2.6549  54.418   2.5064  82.241  2.0593 83.117  1.9235 -0.8760376     2.817904 
1 1 1 20 3  46 o 12.290  4.3303 1.0781   1.0371  2.3122   1.5287  0.0259   1.4117  16.848  5.2355 10.913  4.6612 5.935103       7.009826 
1 1 1 20 3  47 o 46.488  1.7955 17.021   1.3086  18.999   1.8856  15.183   1.8174  48.952  2.4650 43.703  2.6654 5.248817       3.630532 
1 1 1 20 3  48 f 111.727 1.3674 98.134   2.3950  103.712  3.5795  93.612   3.2227  114.670 1.9912 108.978 1.8864 5.692192       2.742842 
1 1 1 20 3  49 o 69.176  1.4698 37.645   1.5940  36.603   2.3020  38.605   2.2093  68.070  2.1572 69.942  2.0150 -1.871979      2.951895 
1 1 1 20 3  50 o 9.4025  3.9902 0.0649   1.0226  -0.0874  1.4469  0.2169   1.4455  10.786  4.6642 11.355  4.7772 -0.5688152     6.676567 
1 1 1 20 3  51 o 20.366  3.5333 3.4181   1.0872  3.4467   1.5755  3.3921   1.5022  20.107  5.0151 19.975  4.8465 0.1318302      6.974245 
1 1 1 20 3  52 o 16.374  4.2654 2.2602   1.1058  1.2029   1.6654  3.0940   1.4789  14.048  5.3904 19.043  4.9193 -4.995289      7.297682 
1 1 1 20 3  53 o 30.395  2.5010 7.3898   1.1811  8.1918   1.7814  6.7607   1.5778  31.669  3.6554 28.760  3.5767 2.908796       5.114170 
1 1 1 20 3  54 o 70.133  1.7537 38.839   1.9281  38.657   2.5834  39.068   2.8970  69.761  2.3622 70.015  2.6394 -0.2546082     3.542075 
1 1 1 20 3  55 o 20.558  3.9061 3.5454   1.2128  3.9253   1.4858  2.7867   2.0997  21.444  4.5602 18.266  6.1725 3.177933       7.674338 
1 1 1 20 3  56 o 19.545  4.8100 3.3058   1.4638  3.2928   1.7751  3.3335   2.5875  19.382  5.5556 19.751  6.8470 -0.3689461     8.817392 
1 1 1 20 3  57 o 17.485  4.5231 2.6381   1.2492  1.0209   1.7758  4.2220   1.7575  13.718  5.4757 21.929  5.1927 -8.210892      7.546364 
1 1 1 20 3  58 o 21.224  4.0923 3.8320   1.3122  3.7591   1.8370  3.9080   1.8751  20.510  5.5696 20.895  5.6075 -0.3841228     7.903450 
1 1 1 20 3  59 f 22.750  3.8008 4.3594   1.3077  4.3363   1.7261  4.3905   2.0034  22.150  5.0792 22.013  5.7444 0.1369972      7.667850 
1 1 1 20 3  60 o 29.936  2.7371 7.2766   1.2703  6.5265   1.8191  7.9904   1.7748  27.633  4.3427 30.942  3.7343 -3.308954      5.727468 
1 1 1 20 3  61 o 10.321  4.3579 0.2342   1.2099  -3.2113  1.7814  3.1848   1.6485  8.2347  4.0394 18.812  5.3408 -10.57770      6.696330 
1 1 1 20 3  62 o 61.689  1.8558 30.255   1.7947  31.122   2.8849  29.706   2.2923  61.891  2.9733 60.839  2.4034 1.051086       3.823266 
1 1 1 20 3  63 o 18.812  4.4898 3.1194   1.3057  3.1096   2.2739  3.1243   1.5948  18.515  6.4187 18.581  5.2455 -0.6653023E-01 8.289454 
1 1 1 20 3  64 o 47.632  2.1496 18.148   1.6051  18.218   2.6903  18.110   2.0001  46.688  3.7062 47.231  2.7127 -0.5426102     4.592877 
1 1 1 20 3  65 o 20.172  4.5365 3.6059   1.3998  3.5543   1.9410  3.6619   2.0207  19.495  5.8695 19.732  5.9995 -0.2368431     8.393205 
1 1 1 20 3  66 o 51.472  2.0599 21.197   1.6622  20.881   2.2832  21.552   2.4245  50.519  2.8950 51.222  3.0328 -0.7037125     4.192713 
1 1 1 20 3  67 o 23.283  3.8750 4.6722   1.3646  6.9885   1.9373  2.3911   1.9226  28.142  4.5463 16.426  5.8841 11.71504       7.435837 
1 1 1 20 3  68 o 20.540  4.3585 3.7636   1.3600  5.2505   1.8795  2.1295   1.9704  23.816  5.1813 15.769  5.9056 8.047231       7.856332 
1 1 1 20 3  69 o 31.441  3.1851 8.2938   1.5482  6.0724   2.2030  10.462   2.1762  25.081  5.7286 34.649  4.0850 -9.567669      7.035893 
1 1 1 20 4  0  o 73.563  2.4369 42.586   2.8033  42.586   2.8033  42.586   2.8033  73.563  2.4369 73.563  2.4369 0.000000       0.000000 
1 1 1 20 4  1  o 72.989  1.7243 41.792   1.9730  41.616   2.7725  41.973   2.8082  72.807  2.4291 73.117  2.4500 -0.3104935     3.450082 
1 1 1 20 4  2  o 48.957  2.1163 18.810   1.6242  20.628   2.3322  17.097   2.2634  51.158  2.9202 46.538  3.1204 4.619923       4.273713 
1 1 1 20 4  3  o 191.919 1.7290 288.944  5.2018  285.132  7.2725  292.937  7.4435  190.572 2.4343 193.160 2.4581 -2.587708      3.459501 
1 1 1 20 4  4  o 61.382  1.9381 29.564   1.8650  30.085   2.5165  28.929   2.7777  61.896  2.5935 60.680  2.9200 1.216091       3.905499 
1 1 1 20 4  5  o 92.878  1.6768 67.669   2.4415  65.033   3.2218  71.226   3.7418  91.022  2.2579 95.242  2.5061 -4.220207      3.373195 
1 1 1 20 4  6  o 94.564  1.7930 70.158   2.6581  70.638   3.4181  69.423   4.2278  94.860  2.2986 94.001  2.8690 0.8583984      3.676187 
1 1 1 20 4  7  o 75.306  1.8998 44.498   2.2428  41.850   2.8509  48.797   3.6331  73.005  2.4910 78.804  2.9409 -5.798904      3.854105 
1 1 1 20 4  8  o 73.587  1.8326 42.486   2.1141  39.862   2.7645  46.182   3.2811  71.249  2.4750 76.675  2.7297 -5.425560      3.684694 
1 1 1 20 4  9  o 152.983 1.7155 183.608  4.1143  183.779  5.5361  183.396  6.1490  153.000 2.3081 152.811 2.5668 0.1881104      3.451957 
1 1 1 20 4  10 o 63.110  1.9574 31.256   1.9366  30.516   2.5781  32.214   2.9336  62.329  2.6385 64.024  2.9228 -1.694393      3.937593 
1 1 1 20 4  11 o 111.461 1.5698 97.455   2.7429  97.695   3.9074  97.223   3.8513  111.553 2.2344 111.286 2.2076 0.2674103      3.140997 
1 1 1 20 4  12 o 103.415 1.5820 83.897   2.5648  88.104   3.7234  80.098   3.5380  105.933 2.2421 101.006 2.2344 4.926750       3.165376 
1 1 1 20 4  13 o 79.945  1.5605 50.138   1.9558  48.957   2.6294  51.600   2.9260  78.971  2.1239 81.064  2.3025 -2.093124      3.132502 
1 1 1 20 4  14 o 98.734  1.4848 76.470   2.2982  75.383   3.1076  77.782   3.4143  97.997  2.0228 99.533  2.1882 -1.535072      2.979926 
1 1 1 20 4  15 o 101.756 1.4657 81.224   2.3381  82.873   3.1927  79.317   3.4334  102.750 1.9821 100.507 2.1791 2.243195       2.945716 
1 1 1 20 4  16 o 35.613  2.5079 10.014   1.3912  11.288   1.9529  8.7013   1.9824  37.724  3.3366 32.995  3.9085 4.728291       5.139019 
1 1 1 20 4  17 o 46.587  2.0801 17.041   1.5191  18.559   2.1830  15.615   2.1153  48.494  2.8846 44.447  3.0544 4.047070       4.201178 
1 1 1 20 4  18 o 97.965  1.4887 75.295   2.2863  71.025   3.0290  80.949   3.4854  95.109  2.0315 101.522 2.1900 -6.413368      2.987171 
1 1 1 20 4  19 o 56.940  1.8041 25.450   1.6104  26.649   2.3520  24.391   2.2097  58.223  2.5769 55.705  2.5303 2.517403       3.611467 
1 1 1 20 4  20 o 50.263  1.8257 19.833   1.4385  18.858   2.0236  20.829   2.0454  48.900  2.6497 51.472  2.5348 -2.572803      3.666893 
1 1 1 20 4  21 o 13.942  4.4781 1.4995   1.1100  3.2818   1.5723  -0.2710  1.5671  19.956  5.0281 11.080  4.8225 8.876095       6.966998 
1 1 1 20 4  22 o 110.331 1.4074 95.512   2.4342  101.107  3.4904  90.214   3.3965  113.462 1.9623 107.169 2.0217 6.292755       2.817441 
1 1 1 20 4  23 o 81.191  1.5342 51.736   1.9527  50.947   2.6095  52.741   2.9438  80.528  2.0671 81.912  2.2925 -1.384186      3.086806 
1 1 1 20 4  24 o 34.787  2.3294 9.5569   1.2630  9.0734   1.7655  10.064   1.8075  33.747  3.3826 35.575  3.2780 -1.827438      4.710299 
1 1 1 20 4  25 o 42.605  1.9998 14.262   1.3357  13.226   1.8886  15.299   1.8892  40.864  2.9685 43.993  2.7531 -3.129917      4.048636 
1 1 1 20 4  26 o 55.660  1.6805 24.327   1.4664  26.783   2.0765  21.884   2.0711  58.359  2.2697 52.734  2.5053 5.624722       3.380524 
1 1 1 20 4  27 o 91.447  1.4192 65.638   2.0345  66.041   2.8792  65.236   2.8753  91.666  2.0036 91.105  2.0132 0.5615082      2.840270 
1 1 1 20 4  28 o 54.993  1.6821 23.752   1.4501  26.287   2.0831  21.368   2.0199  57.803  2.2988 52.100  2.4731 5.702789       3.376508 
1 1 1 20 4  29 o 119.962 1.4021 112.964  2.6367  117.263  3.7743  108.865  3.6851  122.137 1.9712 117.677 1.9976 4.459427       2.806435 
1 1 1 20 4  30 o 75.741  1.5327 45.048   1.8199  43.586   2.6101  46.431   2.5388  74.425  2.2371 76.832  2.1078 -2.406563      3.073655 
1 1 1 20 4  31 f 68.050  1.5352 36.368   1.6378  36.102   2.2853  36.648   2.3483  67.739  2.1520 68.244  2.1950 -0.5050201     3.073959 
1 1 1 20 4  32 o 15.084  4.5065 1.8365   1.1475  2.8626   1.5107  0.4370   1.7642  18.602  5.0505 12.972  5.3531 5.629753       7.359556 
1 1 1 20 4  33 o 45.359  1.9720 16.183   1.4022  16.750   1.8665  15.447   2.1245  46.017  2.5980 44.099  3.0926 1.917149       4.039086 
1 1 1 20 4  34 f 68.816  1.5275 37.201   1.6479  36.028   2.2571  38.539   2.4114  67.654  2.1282 69.961  2.1987 -2.307144      3.059970 
1 1 1 20 4  35 o 35.084  2.1370 9.7264   1.1697  9.8274   1.5768  9.6027   1.7443  35.150  2.8870 34.676  3.2466 0.4738731      4.344543 
1 1 1 20 4  36 f 25.792  2.9901 5.3302   1.1865  6.3722   1.6406  4.1876   1.7181  28.056  3.8303 22.405  5.0165 5.650812       6.311637 
1 1 1 20 4  37 o 32.132  2.3956 8.1867   1.1980  8.4676   1.6665  7.8862   1.7236  32.515  3.3157 31.312  3.5754 1.203033       4.876155 
1 1 1 20 4  38 o 41.023  2.0167 13.251   1.2970  12.820   1.7923  13.724   1.8792  40.160  2.8656 41.552  2.9031 -1.391232      4.079154 
1 1 1 20 4  39 o 37.971  2.1922 11.401   1.2994  12.638   1.8004  10.056   1.8772  39.859  2.9012 35.422  3.4231 4.436440       4.487153 
1 1 1 20 4  40 o 73.457  1.5967 42.423   1.8387  42.299   2.7309  42.526   2.4868  73.214  2.3794 73.453  2.1596 -0.2398071     3.213307 
1 1 1 20 4  41 o 59.239  1.7255 27.608   1.6024  28.385   2.3900  26.974   2.1598  59.937  2.5436 58.461  2.3566 1.476448       3.467530 
1 1 1 20 4  42 f 78.432  1.6621 48.392   2.0436  49.480   2.8574  47.252   2.9241  79.180  2.3020 77.351  2.4114 1.828934       3.333733 
1 1 1 20 4  43 o 66.922  1.7667 35.253   1.8534  34.126   2.9422  35.995   2.3865  65.619  2.8602 67.533  2.2542 -1.914543      3.641705 
1 1 1 20 4  44 o 64.075  1.6778 32.311   1.6854  32.831   2.5135  31.886   2.2717  64.435  2.4883 63.545  2.2805 0.8902664      3.375235 
1 1 1 20 4  45 o 45.192  2.1360 16.119   1.5133  15.874   2.0649  16.402   2.2242  44.612  2.9694 45.302  3.1515 -0.6900711     4.330064 
1 1 1 20 4  46 o 41.583  2.0017 13.640   1.3049  13.030   1.9991  14.093   1.7224  40.326  3.1883 42.094  2.6232 -1.767982      4.128721 
1 1 1 20 4  47 o 52.129  1.8659 21.426   1.5249  23.239   2.5201  20.379   1.9152  53.964  2.9907 50.741  2.4078 3.223030       3.839451 
1 1 1 20 4  48 o 41.968  2.1238 13.953   1.3927  13.747   2.2252  14.086   1.7857  41.295  3.4695 42.026  2.7252 -0.7304192     4.411777 
1 1 1 20 4  49 o 28.787  3.1097 6.6893   1.3811  5.0504   2.0554  8.0383   1.8648  24.238  5.5313 31.355  3.8763 -7.117455      6.754334 
1 1 1 20 4  50 o 51.758  2.0800 21.186   1.6877  21.222   2.3423  21.148   2.4340  51.505  2.9129 51.369  3.0359 0.1359978      4.207323 
1 1 1 20 4  51 o 23.141  3.9107 4.4464   1.3681  3.7785   1.9347  5.1145   1.9349  20.854  5.7378 24.407  5.2153 -3.553038      7.753832 
1 1 1 20 4  52 f 20.169  4.3851 3.4513   1.3469  4.0781   1.9455  2.8743   1.8666  21.600  5.6727 18.389  5.7967 3.210463       8.110558 
1 1 1 20 4  53 o 71.270  1.7684 40.134   1.9757  42.210   3.5147  39.176   2.3889  72.496  3.0925 70.272  2.1685 2.223770       3.777072 
1 1 1 20 4  54 o 33.801  2.6998 9.1909   1.4187  8.6925   2.1823  9.5557   1.8670  32.179  4.4446 34.164  3.5371 -1.985001      5.680271 
1 1 1 20 4  55 o 26.450  3.3749 5.7519   1.3675  5.3833   2.2157  5.9787   1.7380  24.546  5.8425 26.602  4.3155 -2.055851      7.263466 
1 1 1 20 4  56 o 11.311  4.6270 0.5079   1.3037  2.7622   2.0206  -1.0998  1.7064  17.941  6.0552 10.050  4.6388 7.891126       7.627826 
1 1 1 20 4  57 o 29.033  3.0600 6.8899   1.3717  7.1154   2.2428  6.7551   1.7339  28.473  5.2169 28.339  4.0151 0.1341057      6.583033 
1 1 1 20 4  58 o 10.211  4.4988 -0.1945  1.4009  -1.1695  2.1333  0.5446   1.8574  11.283  5.2006 12.890  5.4187 -1.607138      7.510603 
1 1 1 20 4  59 f 40.446  2.6182 13.218   1.6512  14.022   2.5370  12.627   2.1748  40.864  4.0121 39.017  3.5961 1.846642       5.387791 
1 1 1 20 4  60 o 35.684  2.5047 10.285   1.3923  11.484   2.2177  9.5052   1.7887  36.979  3.8835 33.871  3.4152 3.107491       5.171595 
1 1 1 20 4  61 o 29.822  3.2915 7.3702   1.5132  6.3918   2.3536  8.0596   1.9756  26.289  5.8605 30.696  4.2168 -4.407118      7.219952 
1 1 1 20 4  62 o 19.015  4.5433 3.2018   1.3358  3.4698   2.1057  3.0214   1.7280  19.281  6.1652 18.194  5.5516 1.087124       8.296433 
1 1 1 20 4  63 o 22.448  3.6804 4.2833   1.2503  6.1265   1.8899  2.8486   1.6674  26.330  4.7535 17.687  5.4631 8.642746       7.241634 
1 1 1 20 4  64 o 14.389  4.5847 1.7942   1.1652  3.8706   1.8785  0.4954   1.4856  20.327  5.6769 11.622  4.8636 8.704624       7.475438 
1 1 1 20 4  65 o 8.3462  3.8644 -0.8018  1.1978  -3.4130  2.0108  0.6345   1.4913  8.7546  4.2939 11.879  4.9135 -3.124716      6.525346 
1 1 1 20 4  66 o 36.642  2.2948 10.863   1.3115  12.173   2.1229  10.054   1.6679  37.953  3.6116 34.810  3.0884 3.142960       4.752045 
1 1 1 20 4  67 o 24.137  3.9131 5.0658   1.4300  7.0648   1.9669  2.8245   2.0826  28.076  4.6302 17.296  6.1318 10.78012       7.683562 
1 1 1 20 4  68 f 39.713  2.6277 12.954   1.6266  11.396   2.3624  14.358   2.2430  35.929  4.2784 41.096  3.5155 -5.167191      5.537484 
1 1 1 20 5  0  o 84.521  2.3323 56.169   3.0850  56.169   3.0850  56.169   3.0850  84.521  2.3323 84.521  2.3323 0.000000       0.000000 
1 1 1 20 5  1  o 24.098  3.5943 4.6718   1.3163  5.9757   1.8195  3.2401   1.9066  27.175  4.4233 19.996  5.7652 7.179218       7.266584 
1 1 1 20 5  2  o 26.344  3.3091 5.5460   1.3365  3.2796   1.7372  8.8322   2.0918  20.018  5.4080 33.221  4.1038 -13.20299      6.788780 
1 1 1 20 5  3  o 102.906 1.5013 83.072   2.4219  87.608   3.3487  78.097   3.5070  105.644 2.0220 99.728  2.2432 5.916031       3.020016 
1 1 1 20 5  4  o 57.015  1.8535 25.512   1.6567  26.860   2.2196  23.816   2.4894  58.477  2.4212 54.962  2.8994 3.514744       3.777393 
1 1 1 20 5  5  o 56.923  1.9400 25.433   1.7312  25.614   2.2396  25.163   2.7289  57.100  2.5020 56.477  3.0940 0.6227684      3.979019 
1 1 1 20 5  6  o 149.321 1.5413 174.924  3.6079  171.388  4.8257  179.405  5.4328  147.751 2.0834 151.141 2.2929 -3.390640      3.098077 
1 1 1 20 5  7  o 104.709 1.4551 86.007   2.3885  90.223   3.4254  82.018   3.3322  107.203 2.0382 102.209 2.0797 4.994545       2.911932 
1 1 1 20 5  8  o 89.651  1.5294 63.055   2.1495  56.818   3.0188  69.469   3.0613  85.056  2.2640 94.064  2.0760 -9.008629      3.071707 
1 1 1 20 5  9  o 49.241  1.9629 19.034   1.5152  18.307   2.2223  19.666   2.0714  48.154  2.9581 49.951  2.6548 -1.796192      3.974694 
1 1 1 20 5  10 o 9.8418  4.3261 -0.3455  1.2888  2.5262   1.9175  -2.7122  1.7407  18.124  5.8919 8.7704  4.2302 9.353148       7.253192 
1 1 1 20 5  11 o 124.259 1.5583 121.148  3.0356  128.462  4.3928  114.463  4.1997  127.892 2.1910 120.719 2.2191 7.172623       3.118526 
1 1 1 20 5  12 o 76.899  1.7557 46.414   2.1165  44.229   2.7530  49.571   3.3098  75.030  2.3406 79.404  2.6589 -4.374397      3.542335 
1 1 1 20 5  13 o 75.221  1.7624 44.412   2.0782  42.888   2.7405  46.475   3.1882  73.878  2.3662 76.882  2.6452 -3.003860      3.549106 
1 1 1 20 5  14 o 148.117 1.6053 172.167  3.7274  171.364  4.7722  173.423  5.9691  147.715 2.0608 148.521 2.5637 -0.8056030     3.289333 
1 1 1 20 5  15 o 69.680  1.7255 38.112   1.8848  37.100   2.3829  39.802   3.0806  68.718  2.2120 71.130  2.7627 -2.411827      3.539116 
1 1 1 20 5  16 o 99.082  1.7726 77.070   2.7533  75.241   3.9278  78.838   3.8604  97.815  2.5615 100.139 2.4591 -2.323555      3.550832 
1 1 1 20 5  17 o 115.451 1.7723 104.646  3.2076  108.051  4.1127  99.358   5.1250  117.257 2.2373 112.342 2.9101 4.915916       3.670713 
1 1 1 20 5  18 o 71.021  1.7302 39.600   1.9264  37.859   2.7032  41.396   2.7460  69.383  2.4852 72.559  2.4141 -3.175842      3.464718 
1 1 1 20 5  19 o 59.941  1.8522 28.217   1.7405  30.608   2.8043  26.719   2.2198  62.345  2.8693 58.288  2.4293 4.057045       3.759538 
1 1 1 20 5  20 o 59.945  1.7547 28.217   1.6489  28.170   2.4217  28.259   2.2515  59.831  2.5819 59.942  2.3960 -0.1108055     3.522344 
1 1 1 20 5  21 o 81.670  1.5570 52.359   1.9934  49.957   2.9078  54.489   2.7381  79.701  2.3273 83.264  2.0977 -3.562325      3.133119 
1 1 1 20 5  22 o 58.227  1.7482 26.628   1.5958  24.915   2.3291  28.143   2.1908  56.252  2.6412 59.816  2.3363 -3.563194      3.526211 
1 1 1 20 5  23 o 62.311  1.7032 30.493   1.6637  29.969   2.4454  30.946   2.2700  61.700  2.5282 62.720  2.3087 -1.020126      3.423717 
1 1 1 20 5  24 o 82.654  1.4588 53.630   1.8903  56.063   2.6686  51.179   2.6780  84.451  2.0157 80.677  2.1174 3.774681       2.923427 
1 1 1 20 5  25 o 141.264 1.3938 156.641  3.0866  163.052  4.2906  149.764  4.4438  144.037 1.9002 138.012 2.0539 6.024567       2.798062 
1 1 1 20 5  26 o 12.057  4.3906 0.9483   1.0760  0.3326   1.4362  1.7360   1.6245  11.694  4.8282 15.532  5.4229 -3.837922      7.260835 
1 1 1 20 5  27 o 57.988  1.6078 26.412   1.4616  26.603   1.9733  26.180   2.1754  58.149  2.1647 57.659  2.4067 0.4896927      3.237024 
1 1 1 20 5  28 o 42.081  1.9354 13.924   1.2768  14.016   1.6928  13.802   1.9444  42.091  2.5779 41.701  2.9942 0.3898048      3.951035 
1 1 1 20 5  29 f 103.448 1.3664 84.019   2.2160  85.322   3.0193  82.497   3.2627  104.176 1.8487 102.406 2.0323 1.770897       2.747402 
1 1 1 20 5  30 o 86.530  1.4420 58.801   1.9561  56.657   2.6810  61.242   2.8606  84.861  2.0152 88.220  2.0684 -3.358864      2.887795 
1 1 1 20 5  31 f 81.060  1.4138 51.601   1.7966  50.227   2.3955  53.368   2.7163  79.910  1.9122 82.341  2.1043 -2.430580      2.843373 
1 1 1 20 5  32 o 21.764  3.3707 3.8397   1.1129  1.9042   1.4409  6.7016   1.7520  15.640  5.1085 28.752  3.9950 -13.11183      6.485120 
1 1 1 20 5  33 o 42.414  1.9905 14.158   1.3235  14.385   1.7071  13.817   2.0955  42.619  2.5671 41.640  3.2356 0.9792900      4.130247 
1 1 1 20 5  34 o 43.515  1.8932 14.899   1.2915  15.966   1.7422  13.599   1.9241  44.916  2.4840 41.350  2.9884 3.565430       3.885912 
1 1 1 20 5  35 o 18.661  3.9086 2.8764   1.1068  1.4635   1.5374  4.3967   1.5947  14.578  5.2574 23.034  4.5777 -8.455439      6.971058 
1 1 1 20 5  36 o 31.636  2.4648 7.9469   1.2128  8.4424   1.7005  7.4340   1.7301  32.434  3.3949 30.340  3.7150 2.093494       5.032565 
1 1 1 20 5  37 f 27.552  2.7805 6.0643   1.1845  7.3407   1.6614  4.7447   1.6893  30.170  3.5827 23.907  4.6751 6.263105       5.890055 
1 1 1 20 5  38 o 21.669  3.4945 3.8262   1.1467  3.4755   1.6112  4.1861   1.6323  20.345  5.0701 22.389  4.7951 -2.044268      6.978449 
1 1 1 20 5  39 o 73.204  1.5172 42.129   1.7412  41.940   2.4470  42.322   2.4781  72.933  2.1402 73.261  2.1577 -0.3277206     3.039088 
1 1 1 20 5  40 o 75.969  1.5219 45.378   1.8125  47.351   2.5466  43.353   2.5802  77.495  2.0962 74.125  2.2204 3.370384       3.053591 
1 1 1 20 5  41 o 29.913  2.7817 7.1491   1.2895  6.0658   1.6926  8.6477   1.9908  27.220  4.0934 32.631  3.9738 -5.411432      5.704947 
1 1 1 20 5  42 o 88.558  1.5364 61.687   2.1329  66.578   3.1799  57.686   2.8758  91.833  2.2088 85.498  2.1456 6.334999       3.079383 
1 1 1 20 5  43 o 52.594  1.8714 21.800   1.5430  23.942   2.2846  20.003   2.0922  54.968  2.6512 50.172  2.6697 4.795948       3.762469 
1 1 1 20 5  44 o 47.378  2.2424 17.739   1.6655  19.455   2.1760  15.314   2.5879  49.421  2.8203 43.524  3.8318 5.896732       4.757845 
1 1 1 20 5  45 o 93.671  1.6485 69.100   2.4207  70.234   3.0158  67.046   4.0587  94.319  2.0396 91.854  2.8186 2.464798       3.479158 
1 1 1 20 5  46 o 70.468  1.8469 39.168   2.0403  37.509   2.5926  41.867   3.3069  68.810  2.4034 72.520  2.9088 -3.710579      3.773225 
1 1 1 20 5  47 o 42.508  2.4052 14.369   1.5962  16.636   2.0745  11.077   2.4990  45.601  2.9172 36.654  4.4396 8.947441       5.312298 
1 1 1 20 5  48 o 45.353  2.0303 16.262   1.4435  19.408   2.1552  13.703   1.9439  49.279  2.8014 41.313  3.0224 7.965549       4.120992 
1 1 1 20 5  49 o 40.087  2.2927 12.785   1.4348  10.600   1.9774  15.215   2.0853  36.110  3.5385 43.495  3.0781 -7.384933      4.689974 
1 1 1 20 5  50 o 70.855  1.7045 39.628   1.8933  40.610   2.7254  38.712   2.6322  71.470  2.4325 69.791  2.4058 1.679062       3.421256 
1 1 1 20 5  51 o 37.004  2.3861 10.935   1.3768  13.349   1.8959  8.2406   2.0027  40.696  2.9927 31.492  4.1582 9.203943       5.123217 
1 1 1 20 5  52 o 46.953  2.1278 17.498   1.5662  17.048   2.1678  17.991   2.2653  45.961  3.0255 47.197  3.0785 -1.235222      4.316369 
1 1 1 20 5  53 o 36.012  2.4031 10.385   1.3488  8.3447   1.9285  12.338   1.8873  31.676  3.9708 38.999  3.1130 -7.322262      5.045542 
1 1 1 20 5  54 o 10.611  4.4517 0.2708   1.2496  0.9330   1.7776  -0.3761  1.7569  13.508  5.4478 11.197  4.9802 2.310531       7.381142 
1 1 1 20 5  55 o 29.404  2.8764 7.0327   1.3089  5.7148   1.9265  8.1628   1.7840  25.569  4.9853 31.345  3.7019 -5.776440      6.209428 
1 1 1 20 5  56 o 31.872  2.8117 8.2541   1.3905  11.650   2.0703  5.4638   1.8768  37.532  3.5614 24.930  4.9764 12.60147       6.119495 
1 1 1 20 5  57 o 36.175  2.4281 10.539   1.3690  10.447   2.0596  10.613   1.8324  35.362  3.7736 35.906  3.2920 -0.5446968     5.007736 
1 1 1 20 5  58 o 14.418  4.6714 1.7654   1.2059  2.8681   1.8141  0.8925   1.6141  17.859  5.7237 12.867  5.1905 4.992369       7.726737 
1 1 1 20 5  59 o 25.319  3.3958 5.3534   1.3138  5.7331   1.9452  5.0349   1.7817  25.331  5.0753 23.774  4.9417 1.557276       7.083760 
1 1 1 20 5  60 o 20.491  4.4935 3.7030   1.4037  2.1740   1.8722  5.6657   2.1213  16.070  5.8008 24.819  5.5869 -8.749256      8.053681 
1 1 1 20 5  61 o 33.660  2.8399 9.2705   1.4846  9.9967   2.2837  8.7390   1.9538  34.025  4.3833 32.047  3.9742 1.977264       5.916748 
1 1 1 20 5  62 f 27.395  3.1000 6.2208   1.3079  3.3856   2.0933  8.0364   1.6751  18.952  6.1558 30.950  3.5148 -11.99811      7.088533 
1 1 1 20 5  63 o 15.213  5.1222 2.0236   1.4459  2.7854   2.2414  1.4808   1.8922  17.530  6.3441 14.447  5.6882 3.083126       8.520752 
1 1 1 20 5  64 o 32.167  2.8817 8.5284   1.4378  8.3476   2.3303  8.6396   1.8269  30.360  5.0754 31.870  3.7271 -1.509630      6.296952 
1 1 1 20 5  65 o 30.482  3.1704 7.7690   1.4928  6.0487   2.2372  9.1498   2.0043  25.093  5.8028 32.521  4.0168 -7.427774      7.057420 
1 1 1 20 5  66 o 10.105  4.5350 -0.2883  1.4921  -1.3678  2.4387  0.3576   1.8865  11.483  5.3821 12.200  5.3005 -0.7160578     7.554018 
1 1 1 20 5  67 o 18.345  5.2854 3.2463   1.6030  0.8488   2.6582  4.6163   2.0094  14.242  6.2377 21.512  5.8182 -7.270208      8.529966 
1 1 1 20 6  0  o 73.780  2.2209 42.825   2.5634  42.825   2.5634  42.825   2.5634  73.780  2.2209 73.780  2.2209 0.000000       0.000000 
1 1 1 20 6  1  o 86.179  1.4806 58.274   2.0002  56.291   2.7781  60.409   2.8823  84.657  2.0933 87.698  2.0965 -3.041611      2.962635 
1 1 1 20 6  2  o 104.823 1.4410 86.211   2.3680  84.761   3.3233  87.706   3.3749  103.886 2.0406 105.676 2.0372 -1.789841      2.883413 
1 1 1 20 6  3  o 57.290  1.7616 25.764   1.5821  25.627   2.2495  25.899   2.2256  57.094  2.5133 57.398  2.4734 -0.3043289     3.526223 
1 1 1 20 6  4  o 118.966 1.4571 111.049  2.7176  111.416  3.8185  110.674  3.8684  119.104 2.0451 118.702 2.0788 0.4012527      2.916168 
1 1 1 20 6  5  o 18.058  4.4601 2.6824   1.2552  5.3519   1.7898  0.0990   1.7607  25.615  4.6275 12.413  5.2498 13.20231       6.998168 
1 1 1 20 6  6  o 74.346  1.7373 43.390   2.0248  44.157   3.2189  42.888   2.6047  74.918  2.7408 73.878  2.2490 1.040169       3.545370 
1 1 1 20 6  7  o 126.379 1.3916 125.312  2.7569  130.437  3.8503  119.920  3.9494  128.882 1.9057 123.561 2.0389 5.321335       2.790830 
1 1 1 20 6  8  o 91.890  1.4105 66.253   2.0318  65.924   2.7832  66.628   2.9731  91.620  1.9377 92.097  2.0593 -0.4767532     2.827617 
1 1 1 20 6  9  o 22.306  3.5000 4.0180   1.1836  4.4965   1.5681  3.3844   1.8044  23.457  4.4267 20.289  5.5244 3.168024       7.079159 
1 1 1 20 6  10 o 46.071  1.8904 16.669   1.3653  15.099   1.8385  18.600   2.0386  43.722  2.6955 48.546  2.6892 -4.823181      3.807573 
1 1 1 20 6  11 o 66.999  1.5327 35.230   1.6098  32.707   2.1533  38.428   2.4239  64.516  2.1290 69.924  2.2112 -5.407982      3.069574 
1 1 1 20 6  12 o 17.819  4.2479 2.6140   1.1699  3.0114   1.5607  2.1044   1.7674  19.129  5.1081 16.784  5.6632 2.345421       7.626574 
1 1 1 20 6  13 o 68.731  1.5087 37.077   1.6256  37.067   2.2001  37.089   2.4126  68.684  2.0433 68.688  2.2405 -0.4257202E-02 3.032300 
1 1 1 20 6  14 o 74.154  1.4677 43.157   1.7061  44.297   2.3155  41.804   2.5236  75.089  1.9670 72.923  2.2075 2.165665       2.956757 
1 1 1 20 6  15 o 18.281  4.0708 2.7490   1.1367  2.9376   1.5592  2.5350   1.6606  18.896  5.1312 17.792  5.4449 1.104269       7.481713 
1 1 1 20 6  16 o 14.050  4.5482 1.5214   1.1433  1.7123   1.6319  1.3374   1.6023  15.513  5.4342 14.503  5.3461 1.010583       7.623084 
1 1 1 20 6  17 o 99.975  1.4293 78.449   2.2400  79.597   3.1725  77.308   3.1633  100.637 2.0109 99.176  2.0346 1.460670       2.860661 
1 1 1 20 6  18 o 65.185  1.6606 33.368   1.6969  32.757   2.4786  33.908   2.3281  64.513  2.4508 65.656  2.2619 -1.143608      3.335032 
1 1 1 20 6  19 o 76.844  1.5180 46.361   1.8286  46.520   2.5903  46.204   2.5818  76.912  2.1484 76.650  2.1486 0.2619019      3.038412 
1 1 1 20 6  20 o 79.634  1.5639 49.797   1.9523  51.050   2.6281  48.254   2.9162  80.574  2.0807 78.298  2.3758 2.275551       3.158126 
1 1 1 20 6  21 o 44.986  2.0402 15.913   1.4388  16.977   1.9502  14.643   2.1315  46.333  2.6966 42.939  3.1892 3.393608       4.176424 
1 1 1 20 6  22 f 43.579  2.0644 14.936   1.4103  14.577   1.7659  15.569   2.3436  42.927  2.6368 44.237  3.4057 -1.309761      4.307126 
1 1 1 20 6  23 o 76.980  1.5871 46.545   1.9153  45.704   2.3766  48.105   3.2349  76.236  1.9886 78.116  2.6416 -1.880127      3.306444 
1 1 1 20 6  24 o 10.143  4.3498 -0.0529  1.2385  -0.0464  1.4498  -0.0706  2.3819  10.988  4.7092 14.003  6.0197 -3.015655      7.642908 
1 1 1 20 6  25 o 74.190  1.5862 43.240   1.8449  42.016   2.2630  45.665   3.1855  73.088  1.9751 76.087  2.6707 -2.999115      3.321641 
1 1 1 20 6  26 o 58.889  1.8215 27.265   1.6815  28.278   2.1352  25.611   2.7286  59.922  2.2730 56.835  3.0739 3.087082       3.822987 
1 1 1 20 6  27 o 36.081  2.5578 10.318   1.4374  11.442   1.9970  9.1109   2.0704  37.850  3.4019 33.610  4.0086 4.240162       5.257569 
1 1 1 20 6  28 f 90.458  1.5985 64.300   2.2667  65.764   3.2375  62.893   3.1747  91.366  2.2603 89.349  2.2665 2.017792       3.200965 
1 1 1 20 6  29 o 94.869  1.6735 70.749   2.4889  72.037   3.7283  69.714   3.3430  95.563  2.4887 94.060  2.2671 1.503197       3.366475 
1 1 1 20 6  30 o 81.844  1.7247 52.671   2.2129  48.751   3.6750  54.901   2.7717  78.493  2.9866 83.492  2.1177 -4.999123      3.661140 
1 1 1 20 6  31 f 62.933  1.7944 31.155   1.7704  34.493   2.8758  29.118   2.2465  66.056  2.7771 60.763  2.3584 5.292801       3.643387 
1 1 1 20 6  32 o 91.230  1.6648 65.445   2.3810  62.414   3.5297  67.975   3.2253  88.909  2.5324 92.865  2.2155 -3.955658      3.364746 
1 1 1 20 6  33 o 74.444  1.8628 43.617   2.1739  43.679   3.0753  43.555   3.0735  74.344  2.6387 74.238  2.6409 0.1058578      3.733207 
1 1 1 20 6  34 o 33.459  2.4767 8.8879   1.2898  7.5880   1.8988  10.002   1.7576  30.556  4.0648 35.361  3.2055 -4.804901      5.176649 
1 1 1 20 6  35 o 60.051  1.6769 28.366   1.5786  28.970   2.2207  27.750   2.2444  60.586  2.3381 59.283  2.4151 1.302792       3.361461 
1 1 1 20 6  36 o 20.360  3.9911 3.4255   1.2283  2.5851   1.7806  4.1885   1.6967  17.866  5.6648 22.344  4.9719 -4.478045      7.537230 
1 1 1 20 6  37 o 94.451  1.5728 70.161   2.3288  74.089   3.3028  66.277   3.2841  96.912  2.1739 91.630  2.2862 5.281906       3.154818 
1 1 1 20 6  38 o 69.153  1.8718 37.669   2.0292  38.853   2.6101  35.860   3.2262  70.126  2.3742 67.196  3.0626 2.930313       3.875097 
1 1 1 20 6  39 o 59.079  1.9550 27.512   1.8106  29.038   2.3192  25.130   2.8976  60.601  2.4412 56.078  3.3107 4.522869       4.113404 
1 1 1 20 6  40 o 98.133  1.7749 75.850   2.7305  74.695   3.1423  79.414   5.5177  97.301  2.0600 99.702  3.5302 -2.400833      4.087300 
1 1 1 20 6  41 o 21.765  4.1412 3.9331   1.3613  4.8653   1.7296  2.4154   2.2068  24.095  4.7477 17.867  6.3143 6.228405       7.900124 
1 1 1 20 6  42 o 45.042  2.1758 16.031   1.5364  15.835   2.4188  16.163   1.9892  44.354  3.5072 45.017  2.8331 -0.6628304     4.508546 
1 1 1 20 6  43 o 64.711  1.6822 32.991   1.7066  31.026   2.4557  34.825   2.3732  62.562  2.5039 66.344  2.2818 -3.782333      3.387671 
1 1 1 20 6  44 o 56.122  1.9806 24.873   1.7425  24.789   2.3329  24.980   2.6207  55.858  2.6642 55.896  3.0017 -0.3836441E-01 4.013540 
1 1 1 20 6  45 o 24.440  3.3549 4.8718   1.2515  4.7052   1.6795  5.0797   1.8766  23.602  4.7042 24.425  5.0672 -0.8229160     6.914174 
1 1 1 20 6  46 o 38.829  2.2662 11.989   1.3734  13.055   1.8829  10.776   2.0078  40.314  3.0007 36.421  3.5622 3.892879       4.657631 
1 1 1 20 6  47 o 12.572  4.5835 1.0985   1.1731  -0.0854  1.5454  2.7088   1.8022  11.077  4.8051 17.937  5.7003 -6.859932      7.455376 
1 1 1 20 6  48 o 36.856  2.3315 10.832   1.3401  10.497   1.7835  11.266   2.0310  36.013  3.1922 37.192  3.5256 -1.179459      4.756064 
1 1 1 20 6  49 o 24.982  3.4418 5.1299   1.3121  4.0823   1.8008  6.3154   1.9158  21.616  5.3444 27.299  4.6428 -5.683468      7.079420 
1 1 1 20 6  50 o 34.148  2.5089 9.3509   1.3337  8.6147   1.7737  10.309   2.0230  32.404  3.5497 35.413  3.6986 -3.008965      5.126348 
1 1 1 20 6  51 o 41.795  2.2403 13.940   1.4625  14.866   1.9741  12.813   2.1773  42.888  2.9542 39.535  3.5508 3.352848       4.619061 
1 1 1 20 6  52 o 46.178  2.1167 16.960   1.5323  17.087   2.1393  16.827   2.1958  45.933  2.9872 45.526  3.0951 0.4068031      4.301516 
1 1 1 20 6  53 o 26.954  3.3524 5.9994   1.3860  7.0636   1.8874  4.7538   2.0419  28.837  4.3070 22.928  5.7040 5.908232       7.147462 
1 1 1 20 6  54 o 10.819  4.5941 0.2222   1.3569  0.1350   1.8367  0.3269   2.0133  12.141  5.2526 12.921  5.5438 -0.7802362     7.636974 
1 1 1 20 6  55 o 18.035  4.9096 2.8902   1.4253  5.5643   1.9526  -0.1597  2.0854  24.995  5.1545 12.352  5.4630 12.64269       7.510840 
1 1 1 20 6  56 f 42.145  2.4798 14.327   1.6312  14.370   2.2135  14.275   2.4131  41.689  3.4170 41.322  3.7665 0.3669662      5.085460 
1 1 1 20 6  57 o 34.392  2.7925 9.6444   1.4926  9.4266   2.0374  9.8967   2.1928  33.356  3.9746 34.045  4.1974 -0.6892700     5.780653 
1 1 1 20 6  58 o 12.193  4.7178 0.9709   1.2835  0.6244   1.8941  1.2652   1.7453  12.956  5.4604 13.849  5.4597 -0.8938379     7.721699 
1 1 1 20 6  59 o 39.589  2.4418 12.674   1.5081  11.749   2.2477  13.431   2.0338  37.239  3.9084 40.294  3.2472 -3.054764      5.081369 
1 1 1 20 6  60 o 25.442  3.3743 5.4305   1.3126  9.4561   2.0881  2.8005   1.6878  33.215  4.0970 17.485  5.5121 15.73088       6.867966 
1 1 1 20 6  61 o 13.961  4.8573 1.6327   1.3027  4.7746   2.1730  -0.1302  1.6276  22.264  6.0624 10.910  4.8256 11.35435       7.748450 
1 1 1 20 6  62 o 14.007  4.8916 1.6563   1.3218  2.2115   1.9308  1.1667   1.8132  15.983  5.8721 13.619  5.4987 2.364144       8.044772 
1 1 1 20 6  63 o 7.9650  3.8329 -1.7947  1.4097  0.0209   1.9109  -3.9623  2.0880  11.842  5.2338 8.5791  4.2399 3.262759       6.735631 
1 1 1 20 6  64 o 22.489  3.6123 4.3595   1.2304  4.6423   1.9011  4.1557   1.6141  21.988  5.5227 21.150  4.9550 0.8378468      7.419717 
1 1 1 20 6  65 o 11.011  4.5950 0.5322   1.3208  1.1009   1.8972  -0.0026  1.8399  13.385  5.5396 11.475  5.1003 1.910175       7.529932 
1 1 1 20 7  0  o 121.509 2.0364 115.950  3.8766  115.950  3.8766  115.950  3.8766  121.509 2.0364 121.509 2.0364 0.000000       0.000000 
1 1 1 20 7  1  o 62.311  1.6514 30.486   1.6132  29.384   2.3030  31.547   2.2603  61.117  2.4037 63.339  2.2764 -2.221661      3.310538 
1 1 1 20 7  2  o 15.592  4.5314 1.9686   1.1736  3.6602   1.6614  0.2834   1.6582  21.027  5.0939 12.381  5.1560 8.646080       7.247888 
1 1 1 20 7  3  o 42.331  2.0994 14.085   1.3932  14.460   1.9890  13.723   1.9521  42.728  2.9883 41.616  3.0125 1.111687       4.243189 
1 1 1 20 7  4  o 95.071  1.5203 70.951   2.2658  75.376   3.1383  66.132   3.2747  97.933  2.0441 91.703  2.2779 6.230446       3.060623 
1 1 1 20 7  5  o 90.463  1.5459 64.244   2.1923  65.062   3.2470  63.559   2.9721  90.956  2.2772 89.920  2.1084 1.035797       3.103326 
1 1 1 20 7  6  o 75.881  1.6361 45.211   1.9462  45.898   2.9136  44.657   2.6152  76.376  2.4335 75.361  2.2136 1.014809       3.289672 
1 1 1 20 7  7  o 36.676  2.4273 10.631   1.3877  9.8996   2.0597  11.238   1.8780  35.174  3.7954 37.602  3.2168 -2.428589      4.975233 
1 1 1 20 7  8  o 78.304  1.5220 48.135   1.8683  45.090   2.5984  51.395   2.6883  75.724  2.1888 80.853  2.1209 -5.129036      3.047855 
1 1 1 20 7  9  o 126.398 1.4995 125.420  2.9712  127.854  4.0758  122.659  4.3406  127.536 2.0386 124.886 2.2171 2.649742       3.011854 
1 1 1 20 7  10 f 32.833  2.4959 8.5347   1.2751  7.2536   1.8193  9.7714   1.7875  30.006  3.9648 35.025  3.2942 -5.019100      5.154804 
1 1 1 20 7  11 o 57.637  1.6355 26.089   1.4778  26.816   2.0098  25.232   2.1804  58.391  2.1956 56.615  2.4567 1.775913       3.294868 
1 1 1 20 7  12 o 58.562  1.6485 26.934   1.5134  26.886   2.0507  26.992   2.2428  58.461  2.2376 58.556  2.4432 -0.9483337E-01 3.313049 
1 1 1 20 7  13 o 97.191  1.3945 74.148   2.1247  75.261   2.9157  72.887   3.1026  97.857  1.9006 96.280  2.0556 1.577431       2.799619 
1 1 1 20 7  14 o 26.523  2.9059 5.6146   1.1885  7.3021   1.6329  3.7134   1.7332  30.182  3.5170 21.136  5.2536 9.045534       6.322120 
1 1 1 20 7  15 o 63.875  1.6220 32.047   1.6242  30.934   2.2653  33.223   2.3301  62.692  2.3050 64.972  2.2876 -2.280186      3.247505 
1 1 1 20 7  16 o 112.162 1.3895 98.761   2.4432  98.391   3.3023  99.208   3.6314  111.879 1.8829 112.311 2.0625 -0.4319229     2.792703 
1 1 1 20 7  17 f 139.047 1.4110 151.796  3.0757  151.731  4.1971  151.872  4.5203  138.919 1.9272 138.950 2.0752 -0.3062439E-01 2.832074 
1 1 1 20 7  18 o 81.993  1.4276 52.787   1.8350  50.130   2.4835  55.981   2.7232  79.839  1.9843 84.359  2.0592 -4.520035      2.859650 
1 1 1 20 7  19 o 13.147  4.4852 1.2739   1.1087  0.4696   1.4975  2.2498   1.6495  12.177  4.9674 16.924  5.4614 -4.747211      7.382579 
1 1 1 20 7  20 o 42.829  1.9617 14.428   1.3171  16.229   1.8064  12.385   1.9245  45.298  2.5543 39.454  3.1375 5.844608       4.045774 
1 1 1 20 7  21 o 75.669  1.4549 44.969   1.7258  46.369   2.3623  43.365   2.5275  76.777  1.9627 74.219  2.1723 2.557961       2.927614 
1 1 1 20 7  22 o 37.626  2.1868 11.185   1.2843  11.845   1.7956  10.493   1.8377  38.596  2.9910 36.261  3.2679 2.335609       4.430023 
1 1 1 20 7  23 o 77.959  1.5076 47.744   1.8425  46.916   2.5869  48.598   2.6249  77.192  2.1377 78.564  2.1312 -1.372726      3.018578 
1 1 1 20 7  24 o 23.189  3.3554 4.3484   1.1843  4.7343   1.7053  3.9888   1.6461  23.913  4.7164 21.876  4.9194 2.037214       6.815041 
1 1 1 20 7  25 o 57.711  1.7063 26.186   1.5438  27.410   2.1802  24.956   2.1862  58.962  2.3587 56.244  2.4795 2.718407       3.422181 
1 1 1 20 7  26 o 52.778  1.7667 21.908   1.4618  21.170   2.0259  22.708   2.1112  51.796  2.4950 53.642  2.5106 -1.846172      3.539499 
1 1 1 20 7  27 o 44.787  1.9318 15.788   1.3564  15.817   1.8633  15.756   1.9782  44.664  2.6735 44.545  2.8477 0.1192284      3.906001 
1 1 1 20 7  28 o 34.691  2.3138 9.5330   1.2511  8.8912   1.7241  10.247   1.8185  33.304  3.3475 35.791  3.2774 -2.486938      4.684789 
1 1 1 20 7  29 o 46.872  1.9698 17.300   1.4474  17.183   1.9063  17.461   2.2243  46.558  2.6224 46.844  3.0455 -0.2856750     4.018955 
1 1 1 20 7  30 o 74.625  1.7409 43.813   2.0367  45.154   2.9616  42.610   2.8053  75.610  2.4986 73.463  2.4359 2.147598       3.489468 
1 1 1 20 7  31 o 29.425  3.0260 6.9349   1.3760  6.7309   1.8258  7.2031   2.0933  28.709  4.1794 29.580  4.6692 -0.8705730     6.266511 
1 1 1 20 7  32 o 98.991  1.8814 77.163   2.9196  76.777   3.3946  78.258   5.7231  98.662  2.1947 99.049  3.6858 -0.3870087     4.289753 
1 1 1 20 7  33 o 44.465  2.5999 15.690   1.8044  16.194   2.1060  14.300   3.4995  45.086  2.9967 41.557  5.5073 3.528492       6.269817 
1 1 1 20 7  34 o 16.554  5.1475 2.2270   1.4775  1.5025   1.5819  7.1791   4.1356  14.718  5.3290 28.512  8.5638 -13.79422      10.08646 
1 1 1 20 7  35 o 26.777  3.8588 5.8503   1.5731  5.7630   1.8998  6.0404   2.8055  26.314  4.7817 26.413  6.7500 -0.9977150E-01 8.272068 
1 1 1 20 7  36 o 66.752  1.9387 35.123   2.0288  32.060   2.7399  38.842   3.0184  63.595  2.7483 69.998  2.7507 -6.403198      3.888372 
1 1 1 20 7  37 f 42.905  2.4275 14.607   1.6261  15.716   2.2375  13.367   2.3672  44.300  3.2444 40.688  3.7535 3.611996       4.961332 
1 1 1 20 7  38 o 64.581  1.9479 32.894   1.9721  29.231   2.6538  37.412   2.9471  60.682  2.7896 68.666  2.7378 -7.984241      3.908633 
1 1 1 20 7  39 o 9.4127  4.2986 -0.8582  1.4126  -1.7310  2.0254  -0.0315  1.9711  10.627  4.9560 12.648  5.4568 -2.021080      7.371447 
1 1 1 20 7  40 o 74.049  1.8949 43.259   2.1997  45.279   3.1691  41.381   3.0557  75.516  2.6770 72.185  2.7003 3.331589       3.802372 
1 1 1 20 7  41 o 14.490  4.9948 1.5994   1.3760  2.3479   2.0626  0.9991   1.8471  17.426  6.1091 14.089  5.5968 3.336929       8.285263 
1 1 1 20 7  42 o 43.900  2.2327 15.297   1.5315  16.389   2.1700  14.213   2.1617  45.195  3.0811 41.998  3.3101 3.196976       4.522184 
1 1 1 20 7  43 o 24.255  3.6398 4.8372   1.3413  5.1888   1.8860  4.4772   1.9079  24.669  5.0469 22.770  5.4226 1.898926       7.407776 
1 1 1 20 7  44 o 58.617  1.9909 27.175   1.8295  27.838   2.5157  26.431   2.6652  59.101  2.7153 57.423  2.9709 1.677681       4.024784 
1 1 1 20 7  45 o 41.350  2.2826 13.611   1.4739  14.416   1.9081  12.420   2.3209  42.367  2.8901 38.942  3.8522 3.424721       4.815836 
1 1 1 20 7  46 o 84.655  1.6358 56.562   2.1709  54.301   2.8114  59.900   3.4164  82.732  2.1677 86.713  2.5132 -3.981346      3.318915 
1 1 1 20 7  47 o 37.721  2.3988 11.373   1.4111  10.552   1.8049  12.664   2.2631  36.044  3.2285 39.299  3.7176 -3.254784      4.923819 
1 1 1 20 7  48 o 17.615  4.6520 2.6792   1.3037  2.6009   1.7136  2.7869   2.0088  17.429  5.5605 18.084  6.0379 -0.6553631     8.208242 
1 1 1 20 7  49 o 12.368  4.6765 1.0052   1.2419  1.2271   1.6594  0.7227   1.8725  13.873  5.3655 13.356  5.5135 0.5176706      7.693349 
1 1 1 20 7  50 o 75.351  1.7435 44.963   2.0596  46.527   2.9387  43.454   2.8874  76.267  2.4579 73.679  2.4998 2.587372       3.505711 
1 1 1 20 7  51 o 21.074  4.2298 3.8171   1.3488  4.9644   1.9241  2.7086   1.8913  23.586  5.3292 17.617  5.8576 5.969816       7.919121 
1 1 1 20 7  52 o 41.045  2.4084 13.545   1.5429  15.653   2.2103  11.542   2.1546  43.697  3.2499 37.220  3.7435 6.476955       4.957381 
1 1 1 20 7  53 f 30.933  3.0079 7.8418   1.4402  8.3851   2.0609  7.3231   2.0134  31.314  4.3126 29.090  4.5653 2.223120       6.280123 
1 1 1 20 7  54 o 21.788  4.1265 4.0978   1.3579  1.8960   1.8945  6.4237   1.9472  15.512  5.7944 27.044  4.7670 -11.53222      7.503298 
1 1 1 20 7  55 o 24.816  3.7289 5.2182   1.4058  7.6568   2.0279  2.9621   1.9506  29.692  4.4975 18.018  5.9467 11.67456       7.455896 
1 1 1 20 7  56 o 22.930  4.3485 4.5965   1.5060  3.6068   1.9886  5.9275   2.3061  19.591  5.9506 25.094  5.9521 -5.502234      8.416442 
1 1 1 20 7  57 o 14.341  5.0285 1.7147   1.3974  2.2191   1.9918  1.2258   1.9611  16.196  5.9621 14.123  5.7129 2.073092       8.257328 
1 1 1 20 7  58 o 17.333  4.9936 2.7287   1.4309  3.4639   2.0287  2.0008   2.0185  19.113  6.0451 15.715  5.9572 3.398324       8.487094 
1 1 1 20 7  59 o 17.079  4.8696 2.6478   1.3674  2.2611   1.9794  3.0008   1.8912  16.185  5.9456 17.917  5.8527 -1.732048      8.342907 
1 1 1 20 7  60 o 23.682  4.0383 4.8805   1.4454  4.4885   2.1677  5.1943   1.9396  21.420  6.1391 23.609  5.3627 -2.189350      8.151470 
1 1 1 20 7  61 o 29.614  3.1768 7.3386   1.4518  6.7604   2.1662  7.8101   1.9561  26.972  5.3123 29.811  4.3108 -2.838932      6.841300 
1 1 1 20 7  62 o 16.848  4.9114 2.6348   1.3768  1.8294   2.0278  3.3239   1.8755  15.066  5.9019 18.473  5.8086 -3.406691      8.280824 
1 1 1 20 7  63 o 17.521  4.7793 2.8663   1.3491  3.4806   1.9177  2.2644   1.8983  18.706  5.8722 15.748  5.8164 2.958879       8.265178 
1 1 1 20 7  64 o 17.611  5.1002 2.9863   1.4891  5.7259   2.1825  0.6002   2.0369  23.847  5.8762 12.710  5.5151 11.13630       8.058954 
1 1 1 20 8  0  o 59.233  2.3476 27.680   2.1721  27.680   2.1721  27.680   2.1721  59.233  2.3476 59.233  2.3476 0.000000       0.000000 
1 1 1 20 8  1  o 14.744  4.6372 1.7157   1.1952  -1.4994  1.6380  5.3765   1.7479  9.5736  4.4620 25.621  4.5168 -16.04715      6.349126 
1 1 1 20 8  2  o 72.120  1.5685 40.850   1.7734  41.177   2.5152  40.527   2.5007  72.337  2.2180 71.763  2.2228 0.5745316      3.140131 
1 1 1 20 8  3  o 58.923  1.7573 27.281   1.6232  29.369   2.2599  25.057   2.3329  61.074  2.3604 56.381  2.6395 4.693367       3.540918 
1 1 1 20 8  4  o 50.917  1.8521 20.378   1.4784  19.797   2.0428  21.017   2.1423  50.050  2.6126 51.566  2.6591 -1.515347      3.727813 
1 1 1 20 8  5  o 92.081  1.4860 66.580   2.1450  63.915   2.9588  69.533   3.1142  90.139  2.0938 94.014  2.1130 -3.874847      2.974732 
1 1 1 20 8  6  o 92.213  1.6310 66.798   2.3578  68.900   3.7673  65.445   3.0231  93.501  2.5701 91.206  2.1143 2.294525       3.328065 
1 1 1 20 8  7  o 67.338  1.6120 35.619   1.7017  33.312   2.3741  38.057   2.4404  65.044  2.3283 69.534  2.2388 -4.489929      3.230021 
1 1 1 20 8  8  o 51.110  1.8235 20.533   1.4611  21.098   2.0683  19.970   2.0643  51.739  2.5499 50.261  2.6291 1.478397       3.662530 
1 1 1 20 8  9  o 75.312  1.5428 44.548   1.8215  43.981   2.5506  45.139   2.6022  74.755  2.1764 75.731  2.1919 -0.9751587     3.088857 
1 1 1 20 8  10 o 64.742  1.6074 32.928   1.6314  30.853   2.2764  35.120   2.3391  62.592  2.3199 66.792  2.2339 -4.199886      3.220634 
1 1 1 20 8  11 o 44.481  1.9907 15.563   1.3881  14.649   1.9333  16.535   1.9943  42.978  2.8862 45.688  2.7980 -2.710220      4.019818 
1 1 1 20 8  12 o 14.148  4.5172 1.5677   1.1307  1.2266   1.6040  1.9046   1.5942  14.187  5.3254 15.897  5.3785 -1.709748      7.568845 
1 1 1 20 8  13 f 92.120  1.5223 66.659   2.1984  69.671   3.2984  64.252   2.9488  94.063  2.2368 90.358  2.0817 3.704697       3.055641 
1 1 1 20 8  14 o 80.309  1.5778 50.672   1.9864  48.358   2.8926  52.736   2.7325  78.342  2.3553 81.851  2.1295 -3.508530      3.175270 
1 1 1 20 8  15 o 146.188 1.4789 167.863  3.3893  166.806  4.7600  168.951  4.8270  145.577 2.0857 146.505 2.1017 -0.9283142     2.960993 
1 1 1 20 8  16 f 83.994  1.4988 55.422   1.9736  55.940   2.7764  54.892   2.8060  84.297  2.1009 83.497  2.1437 0.8004379      3.001552 
1 1 1 20 8  17 o 42.253  2.1519 14.095   1.4206  15.266   2.1382  13.169   1.9009  43.808  3.1341 40.698  3.0006 3.110130       4.338917 
1 1 1 20 8  18 o 147.060 1.4824 169.899  3.4176  170.148  4.8184  169.647  4.8481  147.004 2.0908 146.783 2.1069 0.2216339      2.968255 
1 1 1 20 8  19 o 72.292  1.5642 41.070   1.7727  42.228   2.5110  39.919   2.5030  73.214  2.1878 71.176  2.2433 2.038734       3.133473 
1 1 1 20 8  20 o 77.318  1.5161 46.974   1.8377  46.692   2.5842  47.263   2.6137  76.990  2.1411 77.458  2.1525 -0.4675903     3.036040 
1 1 1 20 8  21 o 64.680  1.6283 32.887   1.6511  30.314   2.2522  35.877   2.4275  62.005  2.3170 67.458  2.2955 -5.453587      3.261579 
1 1 1 20 8  22 o 25.536  3.0925 5.2394   1.2127  7.7319   1.7378  2.8735   1.6931  30.970  3.6495 18.641  5.4499 12.32915       6.558934 
1 1 1 20 8  23 o 48.562  1.8758 18.561   1.4280  17.393   2.0100  19.751   2.0292  46.821  2.7505 49.934  2.6012 -3.112942      3.785715 
1 1 1 20 8  24 o 50.487  1.9915 20.074   1.5762  22.244   2.2743  18.069   2.1864  52.963  2.7487 47.679  2.9395 5.283981       4.024413 
1 1 1 20 8  25 o 36.953  2.8244 10.870   1.6238  13.527   2.0915  6.8381   2.5763  41.148  3.2693 28.435  5.9696 12.71260       6.806207 
1 1 1 20 8  26 o 50.614  2.1912 20.201   1.7386  18.514   2.1574  23.328   2.9366  48.268  2.8639 54.035  3.4853 -5.766136      4.511013 
1 1 1 20 8  27 o 32.272  3.0238 8.3297   1.5120  7.3147   1.8854  10.159   2.5308  29.959  4.1239 35.216  4.7015 -5.257551      6.253848 
1 1 1 20 8  28 o 32.988  2.9423 8.6941   1.5056  8.0933   1.8617  9.8301   2.5599  31.608  3.8358 34.570  4.8576 -2.962900      6.189493 
1 1 1 20 8  29 o 16.579  4.5869 2.2845   1.2324  2.1554   1.7048  2.4259   1.7836  16.622  5.5622 17.431  5.6833 -0.8085346     7.952271 
1 1 1 20 8  30 o 25.188  3.4466 5.1448   1.3253  7.6098   1.8626  2.6175   1.8860  30.581  3.9796 18.024  5.8423 12.55623       7.068947 
1 1 1 20 8  31 o 15.077  4.7561 1.8261   1.2564  3.1220   1.7377  0.4064   1.8188  19.275  5.4872 12.971  5.4008 6.304390       7.699193 
1 1 1 20 8  32 o 13.466  4.5823 1.3690   1.1573  1.9541   1.5411  0.6125   1.7524  15.822  5.2884 13.151  5.3702 2.670843       7.537050 
1 1 1 20 8  33 o 30.237  2.7875 7.3121   1.3064  7.4466   1.7442  7.1401   1.9718  30.276  3.7556 29.445  4.4072 0.8306751      5.790325 
1 1 1 20 8  34 o 11.099  4.5216 0.4268   1.2386  1.6355   1.6250  -1.2493  1.9135  15.092  5.4093 10.800  4.9584 4.292308       7.337964 
1 1 1 20 8  35 o 30.467  2.9010 7.4428   1.3688  7.9416   1.7899  6.7402   2.1244  31.261  3.7258 28.378  4.9557 2.883347       6.200083 
1 1 1 20 8  36 o 99.547  1.5942 78.022   2.4878  75.006   3.1134  83.351   4.1377  97.465  2.0377 102.522 2.5745 -5.057152      3.283304 
1 1 1 20 8  37 o 22.609  4.0962 4.2467   1.3984  5.8635   1.7097  0.9788   2.4305  26.616  4.2397 15.463  6.3207 11.15255       7.610939 
1 1 1 20 8  38 o 38.309  2.5556 11.699   1.5260  11.011   1.8201  13.327   2.7995  36.993  3.1692 40.223  4.5178 -3.230270      5.518566 
1 1 1 20 8  39 o 17.319  4.7942 2.5390   1.3459  2.0017   1.5945  3.8704   2.5101  15.908  5.3790 21.214  6.7258 -5.305273      8.612203 
1 1 1 20 8  40 f 56.653  1.9376 25.362   1.7209  24.553   2.2043  26.625   2.7537  55.585  2.5296 57.625  3.0592 -2.039928      3.969627 
1 1 1 20 8  41 o 79.270  1.7136 49.585   2.1295  47.627   2.6865  52.894   3.4928  77.517  2.2108 81.452  2.7353 -3.935585      3.517029 
1 1 1 20 8  42 o 14.921  4.7315 1.8303   1.2422  1.4778   1.6463  2.2964   1.8929  14.575  5.4100 16.940  5.8573 -2.364541      7.973461 
1 1 1 20 8  43 o 39.721  2.5825 12.629   1.5993  13.432   2.1316  11.596   2.4193  40.677  3.3732 37.422  4.1962 3.255135       5.383870 
1 1 1 20 8  44 f 21.705  4.1247 3.9757   1.3522  3.8214   1.8786  4.1416   1.9478  20.827  5.6226 21.655  5.6705 -0.8283844     7.985499 
1 1 1 20 8  45 o 25.262  3.4300 5.2573   1.3233  6.6938   1.9097  3.9308   1.8352  28.124  4.4820 21.096  5.4946 7.027975       7.090760 
1 1 1 20 8  46 o 47.357  2.2811 17.864   1.6935  21.044   2.3469  14.409   2.4462  51.053  2.9449 41.812  3.7726 9.240681       4.785947 
1 1 1 20 8  47 f 71.170  1.9004 40.179   2.1203  36.951   2.7885  44.604   3.2645  67.890  2.6200 74.474  2.7962 -6.584473      3.831856 
1 1 1 20 8  48 o 15.252  4.9797 1.9616   1.3692  2.2498   1.7427  1.4968   2.2131  16.371  5.6225 15.408  6.1246 0.9631596      8.314013 
1 1 1 20 8  49 o 27.971  3.3735 6.4762   1.4494  7.3441   1.9499  5.4045   2.1667  29.313  4.3775 24.351  5.7651 4.961250       7.238673 
1 1 1 20 8  50 o 32.375  3.3679 8.6692   1.6843  8.0104   2.3468  9.3690   2.4186  30.099  5.1592 32.803  4.8495 -2.703516      7.080639 
1 1 1 20 8  51 f 8.9863  4.1280 -0.7686  1.3286  -0.3560  1.8915  -1.1705  1.8667  11.491  5.1349 10.383  4.8134 1.107340       7.038193 
1 1 1 20 8  52 o 32.872  2.8921 8.8443   1.4752  13.730   2.1283  4.3272   2.0465  40.722  3.3641 21.492  5.8964 19.22994       6.788579 
1 1 1 20 8  53 o 31.665  3.0994 8.2763   1.5189  6.9421   2.1823  9.5297   2.1152  27.757  5.2066 33.380  4.1303 -5.623495      6.645891 
1 1 1 20 8  54 o 48.540  2.2579 18.921   1.7181  19.731   2.4372  18.121   2.4224  48.894  3.1973 46.752  3.3269 2.142021       4.614221 
1 1 1 20 8  55 o 37.090  2.7568 11.244   1.5915  13.371   2.2565  9.1390   2.2450  39.869  3.6508 32.301  4.5604 7.567921       5.841711 
1 1 1 20 8  56 o 11.297  4.8204 0.3141   1.5071  -1.1115  2.0158  2.1210   2.2694  10.789  5.0017 16.190  6.2710 -5.401370      8.021354 
1 1 1 20 8  57 o 28.731  3.5006 6.9699   1.5441  8.1266   2.2570  5.9522   2.1171  30.047  4.9651 25.252  5.5034 4.794596       7.412111 
1 1 1 20 8  58 f 24.903  3.7759 5.3320   1.4279  5.7924   2.1671  4.9787   1.8981  24.668  5.7159 23.074  5.3514 1.593725       7.830004 
1 1 1 20 8  59 o 19.615  4.5226 3.4839   1.3622  1.9257   2.0561  4.7030   1.8187  15.363  5.9638 22.381  5.2705 -7.018587      7.958961 
1 1 1 20 8  60 o 19.706  4.6157 3.5570   1.4009  4.5729   2.1559  2.8146   1.8429  21.342  6.1241 17.148  5.7829 4.193960       8.422940 
1 1 1 20 8  61 o 17.239  4.9898 2.8090   1.4257  3.1101   2.1755  2.5823   1.8875  17.668  6.2666 16.457  5.8371 1.211254       8.564004 
1 1 1 20 8  62 o 14.434  5.1830 1.8799   1.4926  1.2319   2.2220  2.4128   2.0148  13.988  5.9058 15.960  5.9728 -1.971982      8.399591 
1 1 1 20 9  0  o 107.883 2.2526 91.536   3.8060  91.536   3.8060  91.536   3.8060  107.883 2.2526 107.883 2.2526 0.000000       0.000000 
1 1 1 20 9  1  o 13.199  4.7933 1.1625   1.2812  1.1305   1.8764  1.1905   1.7535  14.638  5.6930 14.458  5.5352 0.1801977      7.940331 
1 1 1 20 9  2  o 47.661  2.1010 17.884   1.5698  16.560   2.1745  19.324   2.2684  45.653  3.0560 49.353  2.9454 -3.700352      4.244342 
1 1 1 20 9  3  o 91.109  1.6187 65.235   2.3120  64.556   3.2388  65.941   3.3014  90.516  2.2825 91.478  2.3021 -0.9619980     3.241818 
1 1 1 20 9  4  o 12.733  4.8126 0.9578   1.3149  -0.5199  1.9318  2.2334   1.7949  11.920  5.2655 17.041  5.7072 -5.121364      7.765192 
1 1 1 20 9  5  o 65.188  1.8040 33.419   1.8436  34.734   2.6021  32.093   2.6123  66.358  2.5014 63.767  2.6131 2.590683       3.617388 
1 1 1 20 9  6  o 31.122  2.8978 7.7215   1.3976  6.5196   1.9438  9.0078   2.0108  28.210  4.5501 33.423  3.9117 -5.213066      6.000398 
1 1 1 20 9  7  o 66.651  1.7636 34.933   1.8427  35.262   2.5813  34.590   2.6313  66.864  2.4626 66.212  2.5350 0.6518860      3.534265 
1 1 1 20 9  8  o 73.078  1.7660 41.996   2.0231  39.050   2.6326  46.245   3.1619  70.375  2.3862 76.534  2.6354 -6.159492      3.555153 
1 1 1 20 9  9  f 38.167  2.4277 11.535   1.4450  8.7921   1.9896  14.596   2.1022  33.005  3.9221 42.817  3.1540 -9.811985      5.032993 
1 1 1 20 9  10 o 28.879  2.9896 6.6678   1.3339  9.0925   1.8899  4.2612   1.8828  33.634  3.6426 22.533  5.4005 11.10007       6.514122 
1 1 1 20 9  11 f 78.295  1.6474 48.190   2.0221  47.514   2.8303  48.896   2.8899  77.630  2.3256 78.749  2.3409 -1.118385      3.299786 
1 1 1 20 9  12 o 19.233  4.4023 3.0754   1.2987  3.2555   1.8323  2.8936   1.8409  19.775  5.6365 18.799  5.7289 0.9761009      8.036785 
1 1 1 20 9  13 f 56.227  2.0110 24.892   1.7726  21.976   2.6259  27.334   2.4026  52.555  3.2024 58.831  2.6051 -6.275528      4.128176 
1 1 1 20 9  14 o 72.220  1.6951 41.016   1.9191  43.547   2.7291  38.540   2.6992  74.305  2.3428 69.880  2.4640 4.424759       3.399999 
1 1 1 20 9  15 o 130.016 1.5931 132.889  3.2472  134.899  4.5981  130.890  4.5863  130.809 2.2423 128.840 2.2707 1.968033       3.191190 
1 1 1 20 9  16 o 101.728 1.7745 81.416   2.8299  77.789   3.8647  85.610   4.1553  99.261  2.4836 104.112 2.5460 -4.851158      3.556749 
1 1 1 20 9  17 o 76.339  2.0047 45.899   2.3991  48.782   3.2022  42.211   3.6220  78.571  2.5998 72.947  3.1673 5.624901       4.097660 
1 1 1 20 9  18 o 57.081  2.1321 25.681   1.9079  26.670   2.4471  24.150   3.0468  58.074  2.6879 54.974  3.5543 3.100651       4.456249 
1 1 1 20 9  19 o 42.684  2.5215 14.443   1.6798  12.048   2.0757  18.988   2.8593  38.772  3.4511 48.647  3.7790 -9.875164      5.117703 
1 1 1 20 9  20 o 71.880  2.0353 40.712   2.2934  43.195   3.0871  37.654   3.4261  73.900  2.6647 68.869  3.1734 5.031166       4.143822 
1 1 1 20 9  21 o 91.996  1.7161 66.592   2.4749  69.337   3.3166  63.143   3.7178  93.743  2.2569 89.344  2.6544 4.398201       3.484128 
1 1 1 20 9  22 o 84.425  1.6442 56.069   2.1761  57.993   3.0893  54.175   3.0657  85.715  2.2990 82.829  2.3610 2.885635       3.295432 
1 1 1 20 9  23 o 15.180  4.8873 1.8277   1.3215  1.4362   1.7292  2.3777   2.0492  14.879  5.5402 17.649  6.0947 -2.769470      8.236465 
1 1 1 20 9  24 o 13.425  4.8731 1.2278   1.3239  2.4084   1.7385  -0.4021  2.0427  17.329  5.6084 12.382  5.4446 4.946631       7.816473 
1 1 1 20 9  25 o 19.028  4.4823 3.0315   1.3151  1.5017   1.6673  5.5500   2.1393  14.888  5.4587 25.617  5.4919 -10.72965      7.743234 
1 1 1 20 9  26 o 73.976  1.7221 43.081   1.9971  47.913   2.6215  36.397   3.0829  77.922  2.1460 67.727  2.9036 10.19507       3.610596 
1 1 1 20 9  27 o 18.750  4.5480 2.9506   1.3231  2.4407   1.6725  3.8034   2.1631  17.322  5.4899 21.172  6.1514 -3.849928      8.244908 
1 1 1 20 9  28 o 12.504  4.6672 0.9889   1.2286  0.9856   1.5791  0.9939   1.9559  13.440  5.2239 14.433  5.7512 -0.9927721     7.769511 
1 1 1 20 9  29 o 56.154  1.9463 24.866   1.7134  24.481   2.1759  25.494   2.7796  55.610  2.4959 56.501  3.1507 -0.8908958     4.019566 
1 1 1 20 9  30 o 32.084  2.8593 8.2392   1.4231  8.7099   1.9792  7.7354   2.0476  32.701  3.9400 30.652  4.3863 2.048941       5.895989 
1 1 1 20 9  31 o 8.4534  3.8985 -0.8930  1.2013  -1.3578  1.6221  -0.3286  1.7877  9.5886  4.4594 11.600  5.0972 -2.011683      6.772568 
1 1 1 20 9  32 o 100.054 1.5643 78.810   2.4537  81.336   3.3248  75.789   3.6362  101.473 2.0901 97.843  2.3706 3.629128       3.160423 
1 1 1 20 9  33 o 15.583  4.6967 2.0065   1.2423  1.3970   1.6706  2.7606   1.8582  14.553  5.4403 18.242  5.7871 -3.688908      7.942758 
1 1 1 20 9  34 o 42.871  2.2459 14.585   1.5042  14.176   1.9673  15.161   2.3338  42.060  3.0034 43.352  3.4629 -1.291996      4.583858 
1 1 1 20 9  35 o 34.034  2.4919 9.2406   1.3203  10.221   1.7749  8.0262   1.9756  35.604  3.2146 31.220  4.1386 4.383762       5.240384 
1 1 1 20 9  36 o 38.490  2.3042 11.784   1.3839  13.040   1.8793  10.296   2.0457  40.299  2.9962 35.546  3.7265 4.753212       4.781603 
1 1 1 20 9  37 o 18.053  4.3819 2.7649   1.2276  2.5197   1.6378  3.0793   1.8546  17.336  5.4243 18.972  5.7431 -1.635992      7.899716 
1 1 1 20 9  38 o 18.354  4.4571 2.8680   1.2697  4.5544   1.6898  0.6815   1.9241  23.099  4.8221 13.582  5.5960 9.517200       7.387003 
1 1 1 20 9  39 o 36.809  2.4532 10.825   1.4075  9.8756   1.8862  12.017   2.1142  34.808  3.5043 38.408  3.5515 -3.600151      4.989265 
1 1 1 20 9  40 o 59.215  1.9474 27.759   1.8078  25.340   2.5388  30.247   2.5747  56.173  2.8928 61.546  2.6686 -5.372715      3.935684 
1 1 1 20 9  41 o 13.546  4.7837 1.3879   1.2664  2.9038   1.6835  -0.5881  1.9221  18.300  5.4565 11.498  5.1546 6.801540       7.506235 
1 1 1 20 9  42 o 15.289  4.7334 1.9686   1.2509  3.4827   1.7110  0.2300   1.8334  19.897  5.3634 12.430  5.3107 7.466641       7.547856 
1 1 1 20 9  43 o 17.830  4.4623 2.7449   1.2443  4.6160   1.7013  0.5925   1.8247  23.060  4.8594 13.002  5.4112 10.05800       7.272903 
1 1 1 20 9  44 o 10.984  4.5495 0.3982   1.2810  0.6513   1.6335  -0.0060  2.0645  12.565  5.1640 12.642  5.5180 -0.7684135E-01 7.557456 
1 1 1 20 9  45 o 23.576  3.7491 4.6681   1.3392  4.1517   1.6659  5.6116   2.2517  21.693  5.0011 24.852  5.8727 -3.159185      7.713599 
1 1 1 20 9  46 o 28.687  3.2645 6.7855   1.4420  7.8148   1.8473  5.1804   2.3069  30.475  3.9603 23.628  6.1635 6.847141       7.326146 
1 1 1 20 9  47 o 9.0282  4.1897 -1.0108  1.4197  -1.3785  1.8113  -0.4252  2.2859  9.9934  4.6692 12.532  5.6195 -2.538976      7.306213 
1 1 1 20 9  48 o 34.191  2.9267 9.5576   1.5536  12.376   2.1863  6.6823   2.2082  38.508  3.6659 27.244  5.3612 11.26394       6.494685 
1 1 1 20 9  49 o 17.420  5.0916 2.7296   1.4780  -1.2582  2.1488  6.3106   2.0363  11.114  5.1566 26.574  5.0730 -15.45934      7.233713 
1 1 1 20 9  50 o 39.368  2.7735 12.638   1.7007  11.503   2.4672  13.666   2.3477  36.508  4.3994 40.311  3.7584 -3.802834      5.786237 
1 1 1 20 9  51 f 41.938  2.6137 14.291   1.7098  15.327   2.6014  13.503   2.2687  42.503  3.9494 40.100  3.6489 2.402447       5.376980 
1 1 1 20 9  52 o 33.317  3.1784 9.2096   1.6400  9.2004   2.4755  9.2168   2.1893  31.988  5.1083 32.539  4.4050 -0.5507545     6.745320 
1 1 1 20 9  53 o 14.960  5.4302 1.8724   1.6440  -1.0865  2.6229  3.7871   2.1099  12.397  5.7324 19.815  6.1496 -7.418004      8.407049 
1 1 1 20 9  54 o 26.574  4.0248 6.1070   1.6242  7.7714   2.4284  4.7596   2.1849  28.911  5.5598 22.124  6.1018 6.787352       8.254894 
1 1 1 20 9  55 o 23.009  4.9429 4.8345   1.7298  5.3304   2.4707  4.3577   2.4225  23.032  6.5382 20.820  6.6081 2.212435       9.295936 
1 1 1 20 9  56 o 13.415  5.4754 1.0957   1.8205  1.1638   2.5836  1.0286   2.5658  14.846  6.3225 14.627  6.2667 0.2187586      8.901956 
1 1 1 20 9  57 o 14.945  5.3620 1.9588   1.5971  -2.2874  2.4967  4.8998   2.0779  10.853  5.1906 22.372  5.8562 -11.51841      7.825396 
1 1 1 20 9  58 o 40.199  2.9606 13.439   1.8526  18.497   3.2531  11.011   2.2538  45.405  4.6353 35.423  4.1365 9.982109       6.212575 
1 1 1 20 9  59 o 20.120  4.9717 3.8327   1.5591  2.2043   2.4976  4.8723   1.9957  15.985  6.4539 22.171  5.7079 -6.185524      8.615844 
1 1 1 20 9  60 o 12.717  5.1489 1.1092   1.5945  0.7277   2.6213  1.3333   2.0090  13.848  6.1246 13.803  5.7056 0.4448223E-01  8.370456 
1 1 1 20 10 0  o 15.630  7.0581 2.8286   1.8583  2.8286   1.8583  2.8286   1.8583  15.630  7.0581 15.630  7.0581 0.000000       0.000000 
1 1 1 20 10 1  o 86.782  1.6357 59.223   2.2254  56.799   3.0850  61.852   3.2131  84.850  2.3193 88.545  2.3148 -3.694824      3.276800 
1 1 1 20 10 2  o 86.701  1.7127 59.131   2.3279  60.259   3.1336  57.741   3.4776  87.403  2.2870 85.480  2.5951 1.922440       3.459026 
1 1 1 20 10 3  o 48.692  2.1741 18.691   1.6596  20.750   2.5288  17.133   2.1995  51.045  3.1759 46.396  3.0409 4.648888       4.396940 
1 1 1 20 10 4  o 41.503  2.2898 13.629   1.4841  13.864   2.1399  13.411   2.0600  41.654  3.3042 40.980  3.2328 0.6743736      4.622631 
1 1 1 20 10 5  o 35.410  2.6825 9.9704   1.4781  13.765   2.3195  7.3759   1.9179  41.427  3.6075 30.087  4.1791 11.34064       5.520756 
1 1 1 20 10 6  o 83.219  1.6568 54.467   2.1614  54.306   3.0633  54.627   3.0502  82.952  2.3556 83.201  2.3385 -0.2488022     3.319280 
1 1 1 20 10 7  o 76.149  1.8424 45.644   2.1994  45.659   2.8908  45.623   3.3891  76.044  2.4249 75.910  2.8479 0.1341171      3.740454 
1 1 1 20 10 8  o 91.368  2.0773 65.790   2.9754  68.892   3.7181  60.264   4.9619  93.373  2.5401 86.964  3.6396 6.409492       4.438317 
1 1 1 20 10 9  o 56.148  2.2378 24.868   1.9698  26.405   2.5876  22.751   3.0375  57.743  2.8586 53.306  3.6569 4.436844       4.641649 
1 1 1 20 10 10 o 69.929  2.0688 38.540   2.2679  42.756   3.0356  33.215   3.4119  73.530  2.6334 64.540  3.3840 8.990417       4.287919 
1 1 1 20 10 11 o 44.501  3.0094 15.774   2.0871  15.750   2.5848  15.818   3.5377  44.271  3.7600 43.869  5.2484 0.4021606      6.456217 
1 1 1 20 10 12 f 40.625  3.2358 13.193   2.0437  15.078   2.6505  10.430   3.2095  43.248  3.9530 35.222  6.0294 8.026390       7.209722 
1 1 1 20 10 13 o 16.482  4.9384 2.2280   1.3765  2.8729   1.9367  1.5697   1.9568  18.749  5.9037 15.672  5.8821 3.077059       8.333826 
1 1 1 20 10 14 o 68.248  1.9695 36.700   2.1071  33.548   2.8723  40.374   3.1007  65.075  2.8155 71.401  2.7701 -6.326279      3.949786 
1 1 1 20 10 15 o 23.392  4.2367 4.5201   1.4964  3.5632   2.0216  5.6800   2.2256  20.571  5.9383 25.900  5.6411 -5.329161      8.190537 
1 1 1 20 10 16 o 12.708  5.0035 0.7949   1.4640  2.6620   2.1134  -0.9276  2.0299  18.388  6.1927 11.632  5.2486 6.756676       8.117728 
1 1 1 20 10 17 o 22.947  4.2218 4.3549   1.4628  2.2482   1.9160  7.2983   2.2648  17.138  5.8948 29.613  5.0602 -12.47508      7.768818 
1 1 1 20 10 18 o 82.850  1.6778 54.020   2.1791  56.611   3.0762  51.410   3.0873  84.659  2.3179 80.642  2.4421 4.016899       3.366960 
1 1 1 20 10 19 o 45.489  2.2029 16.334   1.5709  15.825   2.1715  16.893   2.2753  44.510  3.1320 45.982  3.1760 -1.471867      4.460502 
1 1 1 20 10 20 o 93.159  1.5577 68.271   2.2749  67.215   3.0497  69.597   3.4156  92.297  2.1077 93.853  2.3215 -1.555809      3.135574 
1 1 1 20 10 21 o 41.110  2.3112 13.396   1.4835  13.034   1.9809  13.858   2.2386  40.356  3.1563 41.532  3.4700 -1.176407      4.690718 
1 1 1 20 10 22 o 75.995  1.6465 45.459   1.9615  43.899   2.6090  47.486   2.9749  74.549  2.2324 77.474  2.4494 -2.925003      3.314086 
1 1 1 20 10 23 o 69.607  1.6849 38.149   1.8386  43.215   2.5575  32.730   2.6451  73.966  2.2056 64.268  2.6253 9.697449       3.428876 
1 1 1 20 10 24 o 68.022  1.6997 36.439   1.8124  34.079   2.4130  39.493   2.7454  65.643  2.3448 70.629  2.4795 -4.985123      3.412672 
1 1 1 20 10 25 o 74.301  1.6639 43.474   1.9381  42.246   2.5823  45.058   2.9329  73.103  2.2533 75.430  2.4803 -2.326393      3.351015 
1 1 1 20 10 26 o 16.760  4.5199 2.3569   1.2148  2.4128   1.5972  2.2802   1.8711  17.124  5.3564 17.066  5.8265 0.5786514E-01  7.914484 
1 1 1 20 10 27 o 53.549  1.8895 22.619   1.5862  20.586   2.1017  25.309   2.4177  50.865  2.6448 56.449  2.7321 -5.583534      3.802522 
1 1 1 20 10 28 o 54.867  1.8973 23.753   1.6320  25.612   2.2040  21.498   2.4281  56.842  2.4734 51.859  2.9994 4.983250       3.887705 
1 1 1 20 10 29 o 63.388  1.7743 31.684   1.7632  32.901   2.4140  30.293   2.5815  64.437  2.3897 61.748  2.6668 2.689178       3.580867 
1 1 1 20 10 30 o 17.584  4.7191 2.6180   1.3280  3.2385   1.8698  1.9863   1.8865  19.477  5.7366 16.309  5.8301 3.167229       8.179136 
1 1 1 20 10 31 o 19.998  4.2006 3.3607   1.2750  2.4986   1.6945  4.4858   1.9358  17.360  5.5284 22.798  5.4833 -5.438597      7.786554 
1 1 1 20 10 32 o 42.434  2.3400 14.322   1.5506  13.048   2.1590  15.680   2.2283  40.146  3.4645 44.116  3.2448 -3.970665      4.746721 
1 1 1 20 10 33 o 19.447  4.7212 3.2297   1.4248  3.5630   1.8907  2.7918   2.1675  20.270  5.7076 18.451  6.2713 1.819368       8.479735 
1 1 1 20 10 34 o 73.210  1.7819 42.327   2.0450  40.514   2.8276  44.315   2.9613  71.356  2.5278 74.627  2.5312 -3.270721      3.577245 
1 1 1 20 10 35 o 73.228  1.7688 42.359   2.0305  41.618   2.8270  43.148   2.9185  72.311  2.4938 73.612  2.5290 -1.301453      3.551774 
1 1 1 20 10 36 f 11.835  4.7085 0.6930   1.3091  0.3814   1.8354  1.0155   1.8677  12.757  5.3758 14.017  5.6084 -1.260370      7.768803 
1 1 1 20 10 37 o 39.216  2.4825 12.305   1.5183  11.965   2.0820  12.691   2.2189  38.284  3.5080 39.380  3.6352 -1.096161      5.051840 
1 1 1 20 10 38 o 11.693  4.7038 0.6321   1.3215  -0.5030  1.8065  1.9389   1.9384  11.227  5.0176 16.036  5.8848 -4.808852      7.733515 
1 1 1 20 10 39 o 10.763  4.5358 0.2383   1.3067  2.6486   1.8219  -2.3149  1.8751  17.588  5.7444 9.3728  4.4867 8.214830       7.288900 
1 1 1 20 10 40 o 34.237  2.7921 9.4765   1.4855  10.142   2.0985  8.8079   2.1033  34.939  3.8976 32.365  4.2481 2.574879       5.765186 
1 1 1 20 10 41 o 10.769  4.5688 0.2054   1.3401  -0.0781  1.7916  0.5655   2.0190  11.730  5.1296 13.395  5.6412 -1.665056      7.624684 
1 1 1 20 10 42 o 42.243  2.3897 14.320   1.5760  13.504   2.1572  15.255   2.3082  40.524  3.4278 43.075  3.4470 -2.550911      4.861225 
1 1 1 20 10 43 f 15.897  4.8978 2.1953   1.3411  2.1648   1.8585  2.2284   1.9372  16.200  5.7872 16.430  5.9042 -0.2302551     8.267484 
1 1 1 20 10 44 o 43.033  2.3403 14.881   1.5729  12.722   2.1276  17.483   2.3357  39.185  3.5003 46.143  3.2497 -6.958080      4.776236 
1 1 1 20 10 45 o 37.964  2.7765 11.728   1.6410  15.001   2.5463  9.4028   2.1460  42.249  3.8881 33.181  4.2212 9.067654       5.738998 
1 1 1 20 10 46 o 13.741  5.0104 1.4738   1.4019  3.0929   1.9909  -0.1184  1.9743  18.338  6.0057 12.012  5.3138 6.326036       8.019038 
1 1 1 20 10 47 o 19.825  4.6865 3.5153   1.4335  4.5966   2.0047  2.3836   2.0508  22.152  5.7296 16.639  6.0610 5.513760       8.340569 
1 1 1 20 10 48 o 11.322  4.7958 0.3670   1.4727  -1.9318  2.0967  2.6054   2.0691  10.226  4.8524 17.088  6.1060 -6.862454      7.799263 
1 1 1 20 10 49 o 12.255  4.8928 0.8952   1.4182  0.9597   1.9212  0.8180   2.1023  13.496  5.5792 13.628  5.7487 -0.1320829     8.010922 
1 1 1 20 10 50 o 15.584  5.3501 2.1442   1.5779  -0.1356  2.0690  5.3137   2.4396  12.106  5.3931 23.150  6.4709 -11.04335      8.423693 
1 1 1 20 10 51 o 15.206  5.4776 1.9836   1.6683  2.0525   2.2830  1.9047   2.4438  15.988  6.2626 15.912  6.3981 0.7573128E-01  8.952935 
1 1 1 20 10 52 o 9.9668  4.6291 -1.0399  1.7386  0.5804   2.2594  -3.3921  2.7223  13.480  5.8289 10.693  5.1891 2.787786       7.804017 
1 1 1 20 10 53 o 36.001  3.2380 10.841   1.8079  8.4330   2.5322  13.344   2.5821  29.945  5.6000 39.092  4.2835 -9.147196      7.050484 
1 1 1 20 10 54 o 12.725  5.0854 1.0572   1.5336  -0.3764  2.0755  2.7810   2.2759  11.677  5.2846 17.209  6.3661 -5.532045      8.273734 
1 1 1 20 10 55 o 11.210  4.9222 0.1007   1.6646  -0.3723  2.2570  0.6646   2.4647  12.067  5.4809 13.796  6.0254 -1.728876      8.145238 
1 1 1 20 10 56 o 29.356  3.9949 7.5664   1.7907  8.8216   2.5698  6.3815   2.4968  30.256  5.6248 24.902  6.3701 5.354374       8.498061 
1 1 1 20 10 57 o 10.149  4.6155 -0.4298  1.6069  -0.7835  2.6330  -0.2199  2.0285  12.280  5.7013 11.561  5.2290 0.7187128      7.736120 
1 1 1 20 10 58 o 17.940  5.0466 3.1283   1.4789  4.1214   2.3511  2.4780   1.9024  19.437  6.5319 15.942  5.8330 3.494574       8.757236 
1 1 1 20 11 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 20 11 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?        
1 1 1 20 11 2  o 65.732  3.3711 34.508   3.4621  0.0000   0.0000  34.508   3.4621  ?       ?      65.732  3.3711 0.000000       3.371117 
1 1 1 20 11 3  o 11.162  5.1168 -1.2944  2.0270  0.7455   4.1534  -1.9322  2.3223  18.871  8.0259 11.441  5.3259 7.429202       9.632289 
1 1 1 20 11 4  o 27.285  4.2478 6.1176   1.7578  4.4948   4.0402  6.4965   1.9523  23.817  8.5301 28.029  4.6029 -4.211380      9.692728 
1 1 1 20 11 5  o 56.978  2.4262 25.665   2.1672  19.161   4.0427  28.287   2.5672  48.145  5.4525 59.748  2.7408 -11.60307      6.102603 
1 1 1 20 11 6  o 12.028  4.9394 0.4477   1.4929  2.5588   2.6103  -0.5785  1.8200  18.798  6.8396 11.378  5.0641 7.420353       8.510280 
1 1 1 20 11 7  o 32.004  3.0144 8.2051   1.4946  11.182   2.2972  6.0198   1.9681  37.132  4.0099 26.878  4.8493 10.25430       6.292486 
1 1 1 20 11 8  o 58.415  1.9299 26.895   1.7674  29.254   2.5189  24.608   2.4804  60.777  2.6437 55.625  2.8541 5.151585       3.890370 
1 1 1 20 11 9  o 88.774  1.6678 62.030   2.3210  62.131   3.2698  61.928   3.2951  88.665  2.3524 88.513  2.3747 0.1518326      3.342625 
1 1 1 20 11 10 o 66.102  1.8633 34.429   1.9308  32.239   2.6960  36.736   2.7666  63.783  2.6962 68.115  2.5909 -4.331779      3.739315 
1 1 1 20 11 11 f 11.655  4.6648 0.5810   1.2924  2.4724   1.8389  -1.2653  1.8169  17.570  5.7727 10.449  4.8101 7.120526       7.514047 
1 1 1 20 11 12 o 15.974  4.7188 2.1063   1.2635  3.3173   1.7719  0.8534   1.8023  19.804  5.5075 13.757  5.5076 6.047148       7.788824 
1 1 1 20 11 13 o 19.216  4.5194 3.1007   1.3386  4.0355   1.9001  2.1797   1.8861  21.764  5.5514 16.887  5.8463 4.877041       8.062081 
1 1 1 20 11 14 o 102.231 1.6279 82.264   2.6090  80.347   3.6194  84.338   3.7641  100.827 2.2899 103.287 2.3246 -2.460182      3.263050 
1 1 1 20 11 15 o 52.181  1.9865 21.478   1.6250  22.012   2.1849  20.817   2.4310  52.630  2.6567 51.066  3.0506 1.563812       4.045247 
1 1 1 20 11 16 o 73.491  1.6780 42.529   1.9332  40.010   2.5886  45.705   2.9069  71.133  2.3213 75.991  2.4401 -4.858742      3.367897 
1 1 1 20 11 17 f 48.877  1.9754 18.847   1.5136  18.340   2.0376  19.471   2.2609  48.003  2.7189 49.405  2.9323 -1.402328      3.998862 
1 1 1 20 11 18 o 34.711  2.5421 9.5967   1.3736  9.2314   1.8156  10.086   2.1006  33.806  3.4753 35.232  3.8669 -1.425301      5.199125 
1 1 1 20 11 19 o 44.106  2.1272 15.368   1.4708  15.982   1.9820  14.615   2.1942  44.757  2.8395 42.658  3.3070 2.098873       4.358829 
1 1 1 20 11 20 o 86.423  1.6096 58.813   2.1807  56.641   2.9016  61.633   3.3059  84.649  2.1866 88.228  2.3902 -3.579216      3.239440 
1 1 1 20 11 21 o 69.909  1.6936 38.507   1.8561  41.588   2.5571  35.076   2.6985  72.508  2.2496 66.491  2.5888 6.016930       3.429643 
1 1 1 20 11 22 o 20.537  4.0973 3.5202   1.2729  4.0340   1.7501  2.9432   1.8547  21.733  5.2053 18.718  5.7587 3.015203       7.762538 
1 1 1 20 11 23 o 90.017  1.5387 63.803   2.1714  60.447   2.8169  68.716   3.4088  87.464  2.0544 93.146  2.3344 -5.682098      3.109682 
1 1 1 20 11 24 o 47.730  1.9425 17.990   1.4535  16.840   1.9062  19.587   2.2465  45.958  2.6572 49.496  2.9080 -3.537754      3.939157 
1 1 1 20 11 25 o 38.630  2.2867 11.861   1.3786  10.742   1.8007  13.446   2.1430  36.517  3.1772 40.816  3.3796 -4.299015      4.638558 
1 1 1 20 11 26 o 80.059  1.6669 50.533   2.0920  51.303   2.6463  49.250   3.4161  80.530  2.0962 78.634  2.7712 1.896309       3.474710 
1 1 1 20 11 27 o 43.047  2.1401 14.670   1.4442  13.578   1.8707  16.281   2.2723  41.142  2.9193 44.953  3.2462 -3.810635      4.365816 
1 1 1 20 11 28 o 41.111  2.2304 13.435   1.4320  11.676   1.8556  16.026   2.2519  38.052  3.1387 44.579  3.2445 -6.526814      4.514238 
1 1 1 20 11 29 o 55.777  1.8328 24.579   1.6026  27.574   2.1389  20.744   2.4199  58.941  2.3148 50.803  3.0526 8.137878       3.831048 
1 1 1 20 11 30 o 37.765  2.4404 11.387   1.4370  12.525   1.9393  10.001   2.1400  39.374  3.1687 34.847  3.9893 4.527081       5.094594 
1 1 1 20 11 31 o 18.498  4.3274 2.9146   1.2325  3.7504   1.6255  1.7841   1.8904  20.820  5.0355 15.699  5.8032 5.120600       7.683279 
1 1 1 20 11 32 o 21.307  3.9845 3.8149   1.2820  3.2578   1.6416  4.6857   2.0524  19.346  5.2699 23.040  5.7110 -3.693718      7.770870 
1 1 1 20 11 33 o 29.260  2.9518 6.9386   1.3355  6.4264   1.7428  7.6672   2.0786  27.718  4.1376 30.142  4.5398 -2.424301      6.142430 
1 1 1 20 11 34 o 20.796  3.9391 3.6459   1.2372  4.2021   1.6288  2.8875   1.9021  22.029  4.8479 18.281  5.8611 3.747942       7.606222 
1 1 1 20 11 35 o 15.056  4.7266 1.9047   1.2424  1.3166   1.6420  2.6922   1.9001  14.055  5.3622 17.740  5.8699 -3.684550      7.950408 
1 1 1 20 11 36 o 9.8026  4.2641 -0.0804  1.2237  -1.2512  1.5911  1.6148   1.9145  9.4477  4.4014 15.198  5.7920 -5.750295      7.274618 
1 1 1 20 11 37 o 36.545  2.4349 10.724   1.3869  10.177   1.8287  11.464   2.1281  35.224  3.3521 37.229  3.6951 -2.005676      4.988996 
1 1 1 20 11 38 o 16.218  4.7515 2.2852   1.2858  2.0239   1.6783  2.6565   2.0006  15.720  5.5108 17.564  6.0246 -1.843357      8.164845 
1 1 1 20 11 39 o 30.506  2.9675 7.6018   1.4012  6.8397   1.8868  8.5390   2.0923  28.256  4.4030 31.669  4.3275 -3.413311      6.173639 
1 1 1 20 11 40 o 19.839  4.3997 3.4350   1.3325  3.0257   1.7920  3.9412   1.9928  18.312  5.6649 20.673  5.8731 -2.361332      8.159937 
1 1 1 20 11 41 o 41.225  2.4931 13.718   1.6036  14.016   2.0502  13.248   2.5739  41.297  3.1916 39.471  4.2252 1.825294       5.295169 
1 1 1 20 11 42 o 34.551  2.8701 9.7593   1.5405  12.859   2.2694  7.1108   2.0979  39.153  3.7429 28.359  4.8957 10.79433       6.162599 
1 1 1 20 11 43 o 25.975  3.7630 5.7283   1.4877  4.6700   2.0685  6.8621   2.1411  22.282  5.8481 27.636  5.1310 -5.354237      7.779897 
1 1 1 20 11 44 o 14.441  5.1005 1.7368   1.4397  2.3444   1.9727  1.0444   2.1060  16.447  5.9517 14.064  5.8298 2.383449       8.331244 
1 1 1 20 11 45 o 32.635  3.1901 8.8466   1.6112  10.256   2.4120  7.7107   2.1652  34.169  4.6214 29.398  4.8686 4.771006       6.712661 
1 1 1 20 11 46 o 35.597  3.1804 10.526   1.7561  8.3135   2.4117  13.022   2.5621  30.167  5.2926 38.772  4.2869 -8.605492      6.810992 
1 1 1 20 11 47 o 33.462  3.6094 9.4758   1.8634  12.465   2.9475  7.4854   2.4050  37.049  5.2195 28.279  5.6230 8.770056       7.672135 
1 1 1 20 11 48 o 24.726  4.2155 5.3647   1.5754  5.2142   2.1464  5.5404   2.3196  23.249  5.8840 23.763  6.1715 -0.5144577     8.526976 
1 1 1 20 11 49 o 22.733  4.7171 4.6809   1.6260  3.3016   2.1734  6.4342   2.4504  18.444  6.2798 25.607  6.1758 -7.162663      8.807743 
1 1 1 20 11 50 o 16.711  5.3754 2.6022   1.5989  3.9806   2.1931  1.0382   2.3361  19.974  6.2813 14.223  6.0332 5.751150       8.709427 
1 1 1 20 11 51 o 13.472  5.3475 1.2796   1.6850  -1.5579  2.3368  4.3525   2.4318  11.070  5.2135 20.552  6.6311 -9.482081      8.435226 
1 1 1 20 11 52 o 25.417  4.2499 5.7418   1.6336  5.2007   2.3823  6.2221   2.2443  22.480  6.4338 25.257  5.7916 -2.777840      8.656564 
1 1 1 20 11 53 o 8.3449  4.0201 -1.9044  1.5609  -1.6204  2.3258  -2.1372  2.1055  10.886  5.1494 9.8466  4.7242 1.039050       6.988223 
1 1 1 20 11 54 o 17.643  5.1346 2.9985   1.5060  2.5432   2.1215  3.4612   2.1383  16.313  6.1242 18.337  6.2288 -2.023817      8.735207 
1 1 1 20 11 55 o 21.843  4.7260 4.4832   1.5713  3.4298   2.2001  5.5800   2.2449  18.064  6.3108 23.170  6.0976 -5.106232      8.775346 
1 1 1 20 11 56 o 11.812  5.0014 0.7004   1.6009  0.8834   2.0957  0.4439   2.4808  13.042  5.6265 13.092  5.8635 -0.5036736E-01 8.126356 
1 1 1 20 12 0  o 44.738  3.3408 16.065   2.3130  16.065   2.3130  16.065   2.3130  44.738  3.3408 44.738  3.3408 0.000000       0.000000 
1 1 1 20 12 1  f 9.4692  4.2565 -0.5710  1.3203  -0.7295  1.8439  -0.4042  1.8914  11.211  5.0357 11.833  5.2194 -0.6214561     7.252620 
1 1 1 20 12 2  o 22.158  4.1864 4.0836   1.4009  6.1368   2.0252  2.1994   1.9400  27.039  4.9605 16.968  5.9261 10.07092       7.728245 
1 1 1 20 12 3  o 63.709  1.9018 32.012   1.8994  28.606   2.6318  35.715   2.7440  60.009  2.7976 67.111  2.6082 -7.101608      3.824801 
1 1 1 20 12 4  o 19.187  4.6082 3.1052   1.3687  2.0682   1.9591  4.0940   1.9129  16.686  5.9438 21.867  5.5661 -5.180635      8.143077 
1 1 1 20 12 5  o 29.832  3.1201 7.1662   1.4376  3.1400   1.9526  11.931   2.1242  19.324  5.9026 38.440  3.5657 -19.11527      6.896013 
1 1 1 20 12 6  o 40.480  2.5963 13.046   1.6389  13.121   2.1863  12.950   2.4762  40.346  3.4910 39.907  4.0125 0.4396248      5.318584 
1 1 1 20 12 7  f 61.500  2.1628 29.890   2.0852  32.818   2.6901  25.483   3.3004  64.305  2.6686 56.205  3.7675 8.099957       4.616869 
1 1 1 20 12 8  o 58.183  2.1796 26.758   1.9880  31.853   2.5928  19.490   3.0969  63.366  2.6101 48.997  4.0687 14.36879       4.833917 
1 1 1 20 12 9  o 20.520  4.8698 3.5698   1.5430  4.3842   1.9601  2.2428   2.5020  22.605  5.5678 17.889  6.6636 4.715969       8.683545 
1 1 1 20 12 10 o 36.109  3.0168 10.457   1.6921  9.0561   2.1039  13.023   2.8475  33.253  4.1243 39.751  4.6577 -6.497433      6.221286 
1 1 1 20 12 11 o 36.121  3.1678 10.490   1.7757  11.539   2.3499  9.0936   2.7110  37.611  4.0494 32.808  5.4632 4.802673       6.800268 
1 1 1 20 12 12 o 39.930  2.6215 12.709   1.6319  14.532   2.2081  10.515   2.4224  42.496  3.3414 35.744  4.4170 6.751987       5.538473 
1 1 1 20 12 13 o 18.883  4.8746 3.0270   1.4528  2.8691   1.8960  3.2516   2.2612  18.542  5.8418 19.730  6.3972 -1.188644      8.663231 
1 1 1 20 12 14 o 43.928  2.4827 15.351   1.7027  16.457   2.3592  14.148   2.4600  45.222  3.3517 41.754  3.7998 3.467823       5.066760 
1 1 1 20 12 15 o 29.257  3.2735 6.9288   1.4757  8.6153   2.0458  5.0993   2.1307  32.388  4.1227 24.304  5.6924 8.084127       7.028504 
1 1 1 20 12 16 o 21.773  4.4575 3.9898   1.4703  1.5029   1.9240  7.4804   2.2794  15.292  5.8114 29.792  5.0618 -14.49963      7.706800 
1 1 1 20 12 17 o 51.280  2.1306 20.802   1.7128  24.105   2.5432  18.060   2.3171  54.892  2.9664 47.433  3.1337 7.458969       4.315044 
1 1 1 20 12 18 o 66.160  1.8540 34.554   1.9229  33.861   2.7138  35.251   2.7249  65.252  2.6530 66.594  2.6101 -1.341209      3.721699 
1 1 1 20 12 19 o 28.135  3.3675 6.4372   1.4558  3.7973   2.0213  9.2822   2.0984  20.925  5.9047 33.610  4.0652 -12.68572      7.168771 
1 1 1 20 12 20 o 33.050  3.0975 8.8118   1.5861  7.0474   2.3403  10.311   2.1572  28.696  5.4005 35.477  3.9455 -6.781704      6.688259 
1 1 1 20 12 21 o 28.343  3.5058 6.5586   1.5245  6.1405   2.3469  6.8638   2.0051  26.563  5.7986 28.602  4.6301 -2.039272      7.420304 
1 1 1 20 12 22 o 57.703  2.1011 26.364   1.9006  22.772   2.7740  29.542   2.6092  53.121  3.3482 60.870  2.7344 -7.748817      4.322895 
1 1 1 20 12 23 o 13.126  4.9763 1.0958   1.4086  -0.5786  2.1302  2.3968   1.8777  12.225  5.4573 17.184  5.8369 -4.958449      7.990712 
1 1 1 20 12 24 o 29.128  3.2294 6.8969   1.4498  6.3070   2.0337  7.5065   2.0674  27.206  4.9507 29.908  4.5533 -2.702038      6.726212 
1 1 1 20 12 25 o 17.240  4.7469 2.5425   1.3236  2.6380   1.7828  2.4253   1.9757  17.676  5.6751 17.311  5.9841 0.3654594      8.247209 
1 1 1 20 12 26 o 50.872  2.1798 20.539   1.7384  21.106   2.2415  19.684   2.7536  51.293  2.7981 49.164  3.5977 2.129662       4.557779 
1 1 1 20 12 27 o 82.222  1.6950 53.406   2.1848  58.568   3.0385  47.881   3.1438  85.845  2.2578 77.451  2.5893 8.393936       3.435390 
1 1 1 20 12 28 o 50.937  2.0993 20.591   1.6763  21.933   2.2926  19.050   2.4573  52.245  2.8095 48.477  3.2523 3.767853       4.297759 
1 1 1 20 12 29 o 33.990  2.8673 9.3362   1.5136  10.232   2.1673  8.4831   2.1147  35.112  4.0092 31.774  4.3605 3.338739       5.923499 
1 1 1 20 12 30 o 34.175  2.7801 9.4297   1.4766  8.4614   2.0161  10.550   2.1685  31.803  4.1421 35.657  3.9455 -3.853674      5.720548 
1 1 1 20 12 31 o 34.815  2.7519 9.7875   1.4897  14.142   2.1395  5.6896   2.0754  41.635  3.3051 25.395  5.3804 16.23985       6.314454 
1 1 1 20 12 32 o 21.448  4.3570 3.9518   1.4149  4.6276   1.8265  2.9378   2.2375  22.885  5.2083 18.450  6.3689 4.434933       8.227308 
1 1 1 20 12 33 o 29.524  3.1255 7.1368   1.4246  7.3204   1.9640  6.9330   2.0695  29.317  4.4100 28.294  4.8396 1.022461       6.547544 
1 1 1 20 12 34 o 30.281  3.1051 7.5112   1.4531  9.7813   2.0335  5.1426   2.0772  34.218  3.8583 23.839  5.6454 10.37913       6.837872 
1 1 1 20 12 35 o 41.315  2.4966 13.749   1.6094  14.030   2.1262  13.371   2.4627  41.324  3.3099 39.928  3.9878 1.395573       5.182428 
1 1 1 20 12 36 o 17.340  4.9338 2.6703   1.4052  3.5293   2.0252  1.8728   1.9513  19.573  6.0168 15.594  5.8698 3.979218       8.405718 
1 1 1 20 12 37 o 10.115  4.4214 -0.0707  1.3296  1.5428   1.8246  -1.8979  1.9417  14.639  5.6361 9.8534  4.6739 4.786078       7.321961 
1 1 1 20 12 38 o 25.342  3.8032 5.4537   1.4643  7.4669   2.1701  3.7710   1.9840  29.031  4.9457 20.077  5.9080 8.954132       7.704791 
1 1 1 20 12 39 o 34.746  2.8891 9.8933   1.5594  10.080   2.2118  9.7084   2.1991  34.275  4.2045 33.583  4.2738 0.6918449      5.995264 
1 1 1 20 12 40 o 17.635  5.2605 2.8448   1.5644  -1.0541  2.1713  7.0538   2.2560  11.329  5.2304 27.786  5.3735 -16.45777      7.498740 
1 1 1 20 12 41 o 13.861  5.3066 1.4264   1.6116  5.6262   2.4248  -1.8969  2.1570  23.991  6.3486 10.412  4.9352 13.57892       8.041203 
1 1 1 20 12 42 o 21.661  4.8065 4.2475   1.5895  2.8950   2.1448  5.8954   2.3674  17.657  6.2265 24.658  6.1461 -7.000572      8.748926 
1 1 1 20 12 43 o 32.057  3.4133 8.6412   1.6890  7.2206   2.2436  10.499   2.5658  27.995  5.3064 34.200  4.9280 -6.205130      7.241716 
1 1 1 20 12 44 o 37.131  3.2305 11.507   1.8617  11.378   2.7109  11.622   2.5612  35.487  5.0125 36.224  4.6149 -0.7368889     6.813451 
1 1 1 20 12 45 o 10.003  4.6702 -1.1763  1.8063  3.8635   2.8716  -4.4761  2.3236  19.512  7.1624 8.9504  4.4323 10.56182       8.422890 
1 1 1 20 12 46 o 37.166  3.0792 11.494   1.7779  9.7203   2.6063  13.038   2.4316  32.405  5.3147 38.802  4.0574 -6.396507      6.686427 
1 1 1 20 12 47 o 16.553  5.4367 2.5617   1.6311  1.1173   2.3173  3.9799   2.2963  14.265  6.0274 19.822  6.4478 -5.557821      8.826333 
1 1 1 20 12 48 o 18.069  5.1488 3.0859   1.5292  1.8823   2.1678  4.2780   2.1574  15.295  6.0673 20.597  6.1851 -5.301590      8.664175 
1 1 1 20 12 49 o 20.806  4.8489 4.0303   1.5523  5.7310   2.1683  2.2423   2.2234  24.149  5.8004 15.953  6.1991 8.196585       8.489605 
1 1 1 20 12 50 o 18.037  5.3612 3.1551   1.6271  4.5856   2.2032  1.4390   2.4131  21.080  6.2323 14.688  6.1754 6.392654       8.773647 
1 1 1 20 12 51 o 9.3746  4.3750 -0.9708  1.5830  -2.8969  2.1032  1.5463   2.4042  9.1930  4.4836 14.734  6.1778 -5.540607      7.633346 
1 1 1 20 12 52 o 23.024  4.7062 4.9640   1.6413  4.0284   2.1880  6.1680   2.4821  19.441  6.2917 24.001  6.4559 -4.560232      9.014726 
1 1 1 20 12 53 o 13.012  5.0238 1.3934   1.4529  0.5147   2.1419  2.1423   1.9774  12.592  5.5544 15.131  5.8556 -2.539383      8.070861 
1 1 1 20 12 54 o 20.560  4.6776 4.0542   1.4737  3.4567   2.1769  4.5596   2.0023  17.738  6.2711 20.696  5.8897 -2.958075      8.603186 
1 1 1 20 13 0  o 43.688  3.7524 15.455   2.5263  15.455   2.5263  15.455   2.5263  43.688  3.7524 43.688  3.7524 0.000000       0.000000 
1 1 1 20 13 1  o 57.708  2.0340 26.330   1.8401  24.245   2.6010  28.420   2.6037  55.010  3.0278 59.732  2.7805 -4.721840      4.110789 
1 1 1 20 13 2  o 10.636  4.5576 0.0285   1.3576  -1.1552  1.9399  1.1647   1.9006  10.934  5.0099 14.507  5.7044 -3.572667      7.592064 
1 1 1 20 13 3  o 6.9181  3.4114 -2.7957  1.3259  -4.2828  1.8910  -1.3576  1.8597  8.0258  3.9787 10.417  4.8204 -2.391312      6.250299 
1 1 1 20 13 4  o 57.646  1.9890 26.266   1.7974  27.939   2.6014  24.738   2.4864  59.211  2.8025 55.628  2.8609 3.583336       4.004801 
1 1 1 20 13 5  f 21.697  4.0760 3.9326   1.3355  5.5837   1.8026  1.9233   1.9884  25.764  4.6334 16.289  5.9630 9.474342       7.551496 
1 1 1 20 13 6  o 30.282  3.0142 7.3955   1.4119  6.2699   1.8729  8.8771   2.1488  27.373  4.5225 32.769  4.2855 -5.395914      6.230449 
1 1 1 20 13 7  o 37.159  2.6159 11.035   1.5141  10.619   1.9102  11.738   2.4833  36.208  3.4054 37.748  4.2715 -1.540909      5.462849 
1 1 1 20 13 8  o 49.884  2.0292 19.681   1.5869  20.992   2.1698  18.173   2.3269  51.273  2.7091 47.544  3.1396 3.728985       4.146821 
1 1 1 20 13 9  o 7.6488  3.6657 -1.7046  1.2599  -1.0437  1.7185  -2.4724  1.8524  10.286  4.7137 9.2353  4.4311 1.050238       6.469428 
1 1 1 20 13 10 o 28.358  3.3284 6.5405   1.4515  7.4633   2.0667  5.6421   2.0391  29.878  4.5565 25.646  5.2487 4.232100       6.950611 
1 1 1 20 13 11 o 71.277  1.7411 40.095   1.9454  39.506   2.5891  40.860   2.9483  70.557  2.3407 71.642  2.6251 -1.084999      3.517157 
1 1 1 20 13 12 o 22.424  3.9757 4.1928   1.3464  3.8152   1.8229  4.6462   1.9973  20.963  5.4839 23.105  5.5777 -2.141174      7.822004 
1 1 1 20 13 13 o 12.226  4.7257 0.8638   1.2867  2.1691   1.7638  -0.6212  1.8813  16.491  5.6568 11.391  5.1034 5.100037       7.618651 
1 1 1 20 13 14 o 43.613  2.2489 15.128   1.5324  14.232   2.0386  16.291   2.3233  42.019  3.1171 44.887  3.3253 -2.868130      4.557870 
1 1 1 20 13 15 o 63.967  1.8160 32.330   1.8210  34.182   2.5186  30.301   2.6360  65.560  2.4506 61.619  2.7289 3.940361       3.667684 
1 1 1 20 13 16 o 59.568  1.8452 28.048   1.7231  28.573   2.3598  27.449   2.5220  59.908  2.5127 58.630  2.7439 1.278023       3.720589 
1 1 1 20 13 17 o 19.467  4.4897 3.2363   1.3422  3.4017   1.7870  3.0223   2.0329  19.758  5.5438 18.807  6.0624 0.9507751      8.214997 
1 1 1 20 13 18 o 24.154  3.8855 4.8571   1.4214  2.1359   1.7644  9.8880   2.3991  16.342  5.6548 34.345  4.5692 -18.00249      7.270090 
1 1 1 20 13 19 f 47.419  2.2144 17.856   1.6461  19.761   2.1635  15.239   2.5366  49.621  2.7926 43.124  3.7907 6.496784       4.708265 
1 1 1 20 13 20 o 55.437  2.1384 24.392   1.8584  25.185   2.5285  23.460   2.7406  55.975  2.8914 53.836  3.2627 2.139107       4.359538 
1 1 1 20 13 21 o 12.628  5.0170 0.8342   1.4843  0.6019   1.9702  1.1390   2.2572  13.461  5.6142 15.061  6.1162 -1.600676      8.302221 
1 1 1 20 13 22 o 83.284  1.8507 54.911   2.4163  57.012   3.2265  52.228   3.6463  84.558  2.4340 80.656  2.8838 3.901360       3.773679 
1 1 1 20 13 23 o 51.721  2.2930 21.300   1.8592  22.595   2.5054  19.713   2.7737  52.882  3.0348 49.066  3.6318 3.815746       4.732890 
1 1 1 20 13 24 o 31.705  3.0938 8.1829   1.5181  5.5146   2.0802  11.223   2.2206  24.986  5.4630 36.799  3.9090 -11.81329      6.717508 
1 1 1 20 13 25 o 62.972  1.9365 31.458   1.9117  29.429   2.6258  33.746   2.7885  60.533  2.7671 64.834  2.7436 -4.301003      3.896659 
1 1 1 20 13 26 o 57.656  2.0492 26.421   1.8522  25.420   2.5858  27.476   2.6542  56.067  2.9524 58.393  2.8995 -2.325806      4.138072 
1 1 1 20 13 27 o 48.541  2.1438 18.763   1.6313  18.565   2.0349  19.120   2.7290  47.987  2.7162 48.177  3.6401 -0.1906281     4.541844 
1 1 1 20 13 28 o 11.833  4.7114 0.7436   1.3116  1.8947   1.6315  -1.3601  2.2055  15.335  5.4281 11.310  5.2391 4.025693       7.544031 
1 1 1 20 13 29 o 32.795  2.9996 8.7790   1.5251  8.8656   1.9555  8.6445   2.4365  32.518  3.9147 31.410  5.1250 1.107964       6.449061 
1 1 1 20 13 30 o 13.289  4.8885 1.3093   1.3387  0.3995   1.6758  2.9140   2.2255  12.111  5.1220 18.195  6.3476 -6.083816      8.156409 
1 1 1 20 13 31 o 42.846  2.3036 14.741   1.5416  16.737   1.9682  11.572   2.4795  45.422  2.7774 36.810  4.3830 8.612457       5.188920 
1 1 1 20 13 32 o 24.777  3.9907 5.2399   1.4975  6.2007   1.7861  2.9665   2.7474  26.770  4.4095 18.501  6.9646 8.269527       8.243196 
1 1 1 20 13 33 o 8.8689  4.1529 -1.1880  1.4462  -2.5084  1.7663  1.4980   2.5191  8.6956  4.2104 15.647  6.4198 -6.951496      7.677334 
1 1 1 20 13 34 o 20.432  4.7926 3.7430   1.5086  4.6557   1.8491  1.9263   2.6089  22.551  5.3170 16.405  6.6056 6.145760       8.479674 
1 1 1 20 13 35 o 36.343  3.2592 10.959   1.8371  11.396   2.1698  9.8534   3.4528  36.690  3.8288 31.337  7.1821 5.352537       8.138906 
1 1 1 20 13 36 o 34.395  3.3407 9.8693   1.7786  9.9462   2.1626  9.7086   3.1264  33.997  4.1435 31.638  6.5204 2.358765       7.725598 
1 1 1 20 13 37 o 18.931  5.1695 3.3128   1.5774  2.5325   1.9289  4.8880   2.7406  16.754  5.9052 21.867  7.0378 -5.113260      9.187098 
1 1 1 20 13 38 o 9.3435  4.4003 -1.3853  1.6644  -0.8443  2.1618  -2.1727  2.6080  11.452  5.2626 11.335  5.3883 0.1174326      7.531819 
1 1 1 20 13 39 o 10.891  4.7390 0.1121   1.5123  2.7859   2.3254  -1.8475  1.9908  17.391  6.4347 9.9037  4.7079 7.487550       7.973053 
1 1 1 20 13 40 o 37.339  3.0335 11.566   1.7603  12.696   2.6932  10.724   2.3258  37.804  4.6420 34.975  4.3348 2.828594       6.351297 
1 1 1 20 13 41 o 10.281  4.5934 -0.2405  1.5129  -0.1401  2.0235  -0.3676  2.2781  11.874  5.3082 12.208  5.5297 -0.3348455     7.665199 
1 1 1 20 13 42 f 24.083  4.6607 5.2528   1.6960  6.0073   2.3503  4.4332   2.4498  24.644  6.1130 20.750  6.6515 3.894516       9.033887 
1 1 1 20 13 43 o 38.433  2.8617 12.216   1.7118  10.899   2.1913  14.279   2.7421  35.416  4.0179 40.177  4.4271 -4.760582      5.978470 
1 1 1 20 13 44 o 37.457  2.9208 11.647   1.7015  10.501   2.1708  13.471   2.7400  34.673  4.0712 38.792  4.5950 -4.118660      6.139122 
1 1 1 20 13 45 f 8.9571  4.1660 -0.8960  1.4161  -0.3193  1.9032  -1.6112  2.1197  11.223  5.0714 10.379  4.9115 0.8440075      7.059892 
1 1 1 20 13 46 o 16.793  5.0560 2.6725   1.4402  3.6362   1.9687  1.5629   2.1125  19.011  5.9469 14.508  5.9072 4.502248       8.382154 
1 1 1 20 13 47 o 19.728  4.8062 3.6620   1.4727  5.3623   1.9685  1.5004   2.2195  23.462  5.4553 14.463  5.9893 8.999140       8.101384 
1 1 1 20 13 48 o 23.270  4.4996 4.9828   1.5821  6.5721   2.2361  3.3899   2.2386  25.714  5.6972 18.013  6.3603 7.701029       8.538847 
1 1 1 20 13 49 o 16.250  5.2025 2.5781   1.4991  2.7821   2.0933  2.3634   2.1478  16.592  6.1114 15.745  6.1000 0.8467245      8.634806 
1 1 1 20 13 50 o 14.555  5.2599 1.9986   1.5400  2.9320   2.1214  0.9587   2.2391  16.760  6.1556 13.340  5.7855 3.419868       8.447638 
1 1 1 20 13 51 o 32.364  3.3613 9.1021   1.6805  12.213   2.4343  6.2693   2.3228  36.389  4.3538 24.115  6.1308 12.27350       7.519441 
1 1 1 20 14 0  o 32.790  5.2414 9.2499   2.4879  9.2499   2.4879  9.2499   2.4879  32.790  5.2414 32.790  5.2414 0.000000       0.000000 
1 1 1 20 14 1  f 71.042  1.8679 39.927   2.0803  40.641   2.9062  39.177   2.9790  71.368  2.5975 70.014  2.7142 1.354599       3.756872 
1 1 1 20 14 2  o 54.053  2.1236 23.177   1.7995  23.099   2.5816  23.251   2.5096  53.525  3.0897 53.748  2.9903 -0.2232132     4.299784 
1 1 1 20 14 3  f 43.093  2.3420 14.811   1.5762  13.576   2.1119  16.364   2.3683  40.894  3.3230 44.890  3.3904 -3.995510      4.747283 
1 1 1 20 14 4  o 21.552  4.2764 3.9366   1.3938  4.2570   1.8887  3.5533   2.0654  22.020  5.4904 20.100  6.0554 1.919846       8.173881 
1 1 1 20 14 5  o 41.897  2.3728 14.011   1.5520  15.050   2.1284  12.831   2.2681  43.129  3.1702 39.579  3.6983 3.549423       4.871104 
1 1 1 20 14 6  o 52.654  2.0304 21.976   1.6760  21.393   2.2850  22.655   2.4656  51.606  2.8353 53.046  2.9770 -1.439888      4.111131 
1 1 1 20 14 7  o 14.559  4.9632 1.6836   1.3577  2.2789   1.8247  0.9453   2.0321  16.731  5.7527 14.238  5.7951 2.492392       8.165571 
1 1 1 20 14 8  o 31.589  2.9829 8.0807   1.4597  8.1929   1.9760  7.9459   2.1656  31.370  4.1177 30.646  4.6539 0.7234745      6.213987 
1 1 1 20 14 9  o 52.165  2.1590 21.609   1.7656  25.069   2.5902  18.607   2.4130  55.790  2.9723 47.923  3.2307 7.866627       4.390000 
1 1 1 20 14 10 o 43.811  2.2858 15.308   1.5645  14.156   2.0544  16.900   2.4138  41.797  3.1586 45.572  3.4033 -3.775757      4.643199 
1 1 1 20 14 11 o 48.270  2.1610 18.510   1.6353  20.123   2.2384  16.665   2.3947  49.999  2.8677 45.243  3.4012 4.756668       4.448854 
1 1 1 20 14 12 f 29.304  3.2176 7.0105   1.4538  6.9104   1.9408  7.1384   2.1944  28.579  4.4791 28.786  5.0467 -0.2067432     6.747723 
1 1 1 20 14 13 o 47.232  2.1919 17.737   1.6230  19.019   2.2164  16.256   2.3831  48.559  2.9252 44.642  3.4315 3.917446       4.509125 
1 1 1 20 14 14 o 49.540  2.1874 19.518   1.6988  20.310   2.3176  18.598   2.4973  50.156  2.9607 47.792  3.3545 2.364807       4.474206 
1 1 1 20 14 15 o 22.689  4.0699 4.3516   1.3944  3.7740   1.8738  5.0685   2.0874  20.585  5.6399 23.841  5.6682 -3.256203      7.996019 
1 1 1 20 14 16 o 50.130  2.1049 19.976   1.6542  22.157   2.2954  17.619   2.3861  52.447  2.8019 46.510  3.2939 5.937611       4.324406 
1 1 1 20 14 17 o 22.185  3.9866 4.1617   1.3355  4.0077   1.8005  4.3501   1.9914  21.234  5.3972 22.009  5.7194 -0.7748299     7.863972 
1 1 1 20 14 18 o 7.5807  3.6592 -1.9080  1.3084  -1.3536  1.7632  -2.5873  1.9519  9.9362  4.6304 9.3651  4.5075 0.5711308      6.462095 
1 1 1 20 14 19 o 8.9135  4.0973 -0.8181  1.3120  1.0664   1.8519  -2.7166  1.8588  13.904  5.5771 8.9316  4.3234 4.972617       7.056632 
1 1 1 20 14 20 o 46.879  2.1833 17.515   1.6045  15.899   2.1144  19.709   2.4636  44.214  3.0696 49.164  3.2142 -4.949707      4.444520 
1 1 1 20 14 21 o 58.302  1.9012 26.993   1.7377  26.965   2.3660  27.025   2.5604  57.945  2.6046 57.888  2.8213 0.5622864E-01  3.839781 
1 1 1 20 14 22 o 12.652  4.8076 1.0755   1.3166  0.5577   1.7322  1.7838   2.0260  12.582  5.2573 15.606  5.9558 -3.024611      7.944205 
1 1 1 20 14 23 o 38.170  2.5743 11.761   1.5314  10.626   2.1068  13.032   2.2300  35.655  3.8291 39.639  3.6289 -3.984051      5.275466 
1 1 1 20 14 24 o 10.581  4.4774 0.2418   1.2816  -3.1939  1.7366  4.3514   1.8993  8.0884  3.9718 21.863  5.5359 -13.77467      6.813330 
1 1 1 20 14 25 o 16.317  5.0778 2.3411   1.4374  1.5848   2.0230  3.1124   2.0428  15.093  5.8998 18.515  6.0845 -3.422318      8.475174 
1 1 1 20 14 26 o 14.658  5.1002 1.7786   1.4363  -0.3070  1.9050  4.5256   2.1863  11.591  5.1686 21.923  6.1251 -10.33150      8.014421 
1 1 1 20 14 27 o 30.032  3.7829 7.6124   1.7415  9.4735   2.1724  4.2659   2.9131  33.240  4.2675 20.925  7.2645 12.31511       8.425189 
1 1 1 20 14 28 o 17.812  5.2137 2.8815   1.5488  2.4323   1.9748  3.5992   2.4963  16.720  5.9662 19.491  6.7271 -2.771603      8.991647 
1 1 1 20 14 29 o 15.632  5.0448 2.1577   1.4074  2.6608   1.7732  1.3012   2.3137  17.134  5.6706 14.889  6.1358 2.244496       8.354862 
1 1 1 20 14 30 o 24.948  4.3144 5.4386   1.6263  5.5072   2.0395  5.3189   2.6951  24.387  5.4697 22.979  6.9158 1.407940       8.817361 
1 1 1 20 14 31 o 14.197  5.2097 1.6268   1.5191  2.5522   1.9536  0.2117   2.4159  16.835  5.9420 13.398  5.9050 3.436784       8.377080 
1 1 1 20 14 32 o 9.7577  4.5644 -1.2465  1.7394  -1.9862  2.0396  0.7263   3.3311  9.9540  4.7412 15.597  6.9009 -5.643048      8.372709 
1 1 1 20 14 33 o 24.193  4.6649 5.2530   1.7051  5.3752   2.2037  5.0707   2.6917  23.574  5.9596 22.173  6.9566 1.401003       9.160316 
1 1 1 20 14 34 o 22.810  4.6133 4.6832   1.5930  4.5083   1.9203  5.0691   2.8527  21.740  5.6001 21.934  7.1892 -0.1941414     9.112997 
1 1 1 20 14 35 o 25.080  4.6016 5.6491   1.7425  8.2136   2.2501  1.8064   2.7543  30.073  4.9447 15.989  6.6508 14.08380       8.287500 
1 1 1 20 14 36 o 16.765  5.2306 2.6225   1.5241  1.8765   2.1951  3.3168   2.1179  15.397  6.1061 18.397  6.1993 -2.999833      8.701497 
1 1 1 20 14 37 o 18.859  5.0278 3.3301   1.5136  2.8996   2.1304  3.7689   2.1508  17.397  6.1980 19.410  6.2334 -2.013605      8.790381 
1 1 1 20 14 38 o 31.336  3.2856 8.2832   1.5900  8.2761   2.2043  8.2909   2.2957  30.165  4.8238 29.990  5.0632 0.1756859      6.993226 
1 1 1 20 14 39 o 18.648  5.1121 3.2905   1.5390  2.0692   1.9866  5.1237   2.4339  15.454  5.8975 22.213  6.5456 -6.758174      8.810568 
1 1 1 20 14 40 o 22.181  4.4696 4.4621   1.5005  5.2876   2.0257  3.4586   2.2335  23.329  5.6082 18.498  6.3644 4.830900       8.482774 
1 1 1 20 14 41 o 35.799  3.0462 10.728   1.6933  9.9922   2.3813  11.480   2.4083  33.149  4.7153 35.892  4.3704 -2.742577      6.429222 
1 1 1 20 14 42 o 23.665  4.2758 5.0378   1.5279  4.0000   2.0194  6.4274   2.3368  19.848  5.9894 25.323  5.9817 -5.474955      8.464869 
1 1 1 20 14 43 o 8.9232  4.1540 -0.8740  1.4131  -0.2708  1.9522  -1.5380  2.0480  11.315  5.1226 10.170  4.8170 1.145580       7.031708 
1 1 1 20 14 44 o 21.708  4.5668 4.3715   1.5049  2.4132   2.0305  6.7582   2.2416  15.909  5.9877 26.144  5.6354 -10.23448      8.222581 
1 1 1 20 14 45 o 9.5398  4.3579 -0.4745  1.4531  -0.3263  1.9894  -0.6439  2.1275  11.233  5.1189 11.196  5.1719 0.3791523E-01  7.276836 
1 1 1 20 14 46 o 30.938  3.2982 8.2385   1.5750  5.2709   2.0974  12.075   2.3848  22.508  5.8797 36.498  4.2475 -13.99009      7.253441 
1 1 1 20 14 47 o 17.510  5.1756 3.0774   1.5196  2.1612   2.0128  4.2918   2.3173  15.045  5.8839 19.475  6.4843 -4.429895      8.755932 
1 1 1 20 14 48 o 17.512  5.0830 3.0954   1.4776  2.1497   1.9560  4.3523   2.2549  14.854  5.8027 19.497  6.3918 -4.642509      8.632930 
1 1 1 20 15 0  o 10.100  6.1784 0.8035   1.8649  0.8035   1.8649  0.8035   1.8649  10.100  6.1784 10.100  6.1784 0.000000       0.000000 
1 1 1 20 15 1  o 43.273  2.4348 15.022   1.6450  16.417   2.2861  13.523   2.3687  44.838  3.2750 40.401  3.7840 4.437206       5.004481 
1 1 1 20 15 2  o 27.057  3.3051 6.0317   1.3728  9.1134   1.9611  3.0710   1.9222  33.072  3.8550 18.603  5.8844 14.46835       7.034717 
1 1 1 20 15 3  o 10.579  4.6344 -0.1362  1.4682  -1.7184  2.0943  1.3927   2.0587  10.621  4.9809 14.955  5.9189 -4.333955      7.735816 
1 1 1 20 15 4  o 32.501  3.0279 8.6099   1.5250  7.3739   2.0276  10.220   2.3139  29.361  4.5527 34.772  4.3393 -5.410933      6.289393 
1 1 1 20 15 5  o 23.412  4.0097 4.6432   1.4187  6.2498   1.9373  2.7852   2.0834  26.871  4.7738 17.952  6.1482 8.919655       7.783922 
1 1 1 20 15 6  f 44.943  2.4653 16.217   1.7303  17.656   2.2512  14.140   2.7048  46.584  3.1004 40.994  4.2716 5.590137       5.278109 
1 1 1 20 15 7  o 52.795  2.0800 22.185   1.7215  22.665   2.3140  21.589   2.5762  52.973  2.7964 51.456  3.2097 1.516918       4.256983 
1 1 1 20 15 8  o 12.609  4.9958 0.8980   1.4681  1.5945   2.1008  0.2333   2.0525  15.384  6.0126 12.912  5.5695 2.471142       8.195740 
1 1 1 20 15 9  o 38.419  2.5340 11.888   1.5176  12.930   2.1136  10.778   2.1805  39.642  3.4350 35.903  3.9387 3.738770       5.226166 
1 1 1 20 15 10 o 51.313  2.1025 20.976   1.6913  20.676   2.2813  21.342   2.5201  50.509  2.8931 51.159  3.1577 -0.6498871     4.282674 
1 1 1 20 15 11 o 42.945  2.3948 14.809   1.6058  13.925   2.1207  15.998   2.4585  41.194  3.3119 43.997  3.5959 -2.803600      4.888663 
1 1 1 20 15 12 o 9.1566  4.2003 -0.7858  1.3689  -0.0913  1.8506  -1.6253  2.0344  11.822  5.1906 10.480  4.9131 1.342430       7.147048 
1 1 1 20 15 13 o 35.736  2.7527 10.359   1.5302  9.6082   2.0404  11.325   2.3133  33.833  3.9197 36.654  4.0959 -2.821098      5.669230 
1 1 1 20 15 14 f 49.497  2.1636 19.559   1.6788  18.969   2.2231  20.342   2.5610  48.288  2.9510 49.787  3.3000 -1.498802      4.426944 
1 1 1 20 15 15 o 34.144  2.7735 9.4771   1.4717  10.812   1.9777  7.8206   2.2031  36.091  3.5410 29.914  4.8651 6.177576       6.017306 
1 1 1 20 15 16 o 10.808  4.5926 0.2356   1.3578  1.0715   1.8510  -0.7382  1.9980  13.763  5.5561 11.323  5.1483 2.439314       7.574656 
1 1 1 20 15 17 o 14.800  5.2960 1.7736   1.5570  2.5009   1.9951  0.6404   2.4903  17.007  6.0045 14.375  6.1667 2.631839       8.607165 
1 1 1 20 15 18 o 23.367  4.8285 4.8432   1.7103  5.1235   2.2358  4.4479   2.6552  23.349  6.0567 21.416  6.9311 1.933214       9.204526 
1 1 1 20 15 19 o 41.681  2.9749 14.216   1.9311  13.613   2.5081  15.093   3.0262  40.080  4.0472 41.684  4.7137 -1.604034      6.212801 
1 1 1 20 15 20 o 22.701  5.0806 4.6537   1.7629  7.0360   2.4426  2.0633   2.5470  27.525  5.8415 16.588  6.5778 10.93667       8.797177 
1 1 1 20 15 21 o 43.320  2.9560 15.376   1.9955  16.340   2.6239  14.054   3.0732  44.022  3.8406 39.834  5.0337 4.188484       6.331499 
1 1 1 20 15 22 o 17.607  5.1924 2.8270   1.5310  3.9925   2.1305  1.5823   2.2016  20.422  6.1496 15.179  6.0836 5.242482       8.650306 
1 1 1 20 15 23 o 59.567  2.1688 28.466   2.0252  26.281   2.7157  31.203   3.0399  56.512  3.0770 61.506  3.1635 -4.994678      4.413076 
1 1 1 20 15 24 o 45.848  2.4675 17.036   1.7670  18.685   2.4045  15.099   2.6054  47.459  3.2514 42.052  4.0003 5.406982       5.155036 
1 1 1 20 15 25 o 53.760  2.1714 23.219   1.8300  22.289   2.3840  24.553   2.8554  52.083  2.9318 54.274  3.3727 -2.190388      4.468857 
1 1 1 20 15 26 o 12.564  4.8353 1.1153   1.3426  1.2665   1.8404  0.9432   1.9629  13.845  5.5574 13.478  5.6111 0.3667459      7.897422 
1 1 1 20 15 27 o 16.705  5.0690 2.5661   1.4435  4.1576   1.8959  0.3709   2.2266  20.847  5.6570 13.105  5.7251 7.741508       8.048564 
1 1 1 20 15 28 o 31.970  2.9596 8.4733   1.4665  9.2328   1.9925  7.5756   2.1662  32.704  3.9676 28.866  4.9660 3.837349       6.356328 
1 1 1 20 15 29 o 18.734  4.7367 3.2210   1.3919  3.6150   1.9716  2.8295   1.9654  19.236  5.9405 17.284  5.9688 1.951958       8.421203 
1 1 1 20 15 30 o 10.083  4.4241 -0.0144  1.3424  -1.4892  1.7975  1.8454   2.0185  9.6075  4.5393 15.117  5.8976 -5.509423      7.442272 
1 1 1 20 15 31 o 26.967  3.2739 6.1450   1.3557  5.8400   1.7662  6.5825   2.1149  25.434  4.5991 26.510  5.2746 -1.076445      6.998073 
1 1 1 20 15 32 o 9.1572  4.2596 -0.9351  1.4811  -0.1419  2.0808  -1.7497  2.1088  11.939  5.3569 10.250  4.8645 1.689390       7.235962 
1 1 1 20 15 33 o 11.065  4.6798 0.4413   1.3990  0.2937   1.8880  0.6212   2.0835  12.065  5.2712 12.990  5.6072 -0.9255056     7.695889 
1 1 1 20 15 34 o 13.406  5.0312 1.4568   1.4315  3.0245   1.9506  -0.3733  2.1075  17.562  5.9493 11.671  5.2990 5.891035       7.967052 
1 1 1 20 15 35 o 34.040  2.9934 9.6830   1.5811  7.6754   2.1150  12.226   2.3806  28.902  4.8390 37.272  4.1445 -8.369522      6.371251 
1 1 1 20 15 36 o 20.542  4.6978 3.9146   1.4799  2.8939   1.9625  5.2604   2.2534  17.170  5.9624 22.679  6.1728 -5.508705      8.582213 
1 1 1 20 15 37 o 21.909  4.3879 4.3668   1.4546  5.9418   1.9272  2.2820   2.2172  25.102  5.0721 15.889  6.1861 9.212763       7.999589 
1 1 1 20 15 38 o 22.931  4.4170 4.7957   1.5302  4.8419   1.9308  4.7175   2.5093  22.139  5.5685 20.818  6.7379 1.320871       8.741167 
1 1 1 20 15 39 o 17.666  5.0468 3.0101   1.4673  0.1521   1.9207  7.0153   2.2738  11.770  5.2222 26.695  5.6114 -14.92573      7.665470 
1 1 1 20 15 40 o 12.060  4.9713 0.8782   1.5194  1.8799   2.1696  -0.0859  2.1285  14.904  6.0159 11.874  5.3647 3.029493       8.060471 
1 1 1 20 15 41 o 12.274  4.9738 1.0316   1.4894  2.2272   1.9072  -0.8371  2.3844  15.317  5.7944 11.547  5.3825 3.769725       7.908592 
1 1 1 20 15 42 o 12.902  5.1402 1.2959   1.5621  -0.1286  1.9614  3.7668   2.5833  11.327  5.1306 18.251  6.7764 -6.924918      8.499525 
1 1 1 20 15 43 o 27.898  3.8891 6.9869   1.6546  7.2604   2.1248  6.5656   2.6373  27.201  5.1719 23.947  6.7403 3.253845       8.495874 
1 1 1 20 15 44 f 19.142  5.4270 3.8041   1.7033  1.2941   2.2429  7.2242   2.6182  13.610  5.8457 25.267  6.5541 -11.65737      8.782310 
1 1 1 20 15 45 o 12.325  5.1683 1.0453   1.6830  -0.6743  2.2012  3.4651   2.6111  11.002  5.1426 17.090  6.6966 -6.088367      8.443384 
1 1 1 20 16 0  o 41.665  3.4347 14.144   2.2084  14.144   2.2084  14.144   2.2084  41.665  3.4347 41.665  3.4347 0.000000       0.000000 
1 1 1 20 16 1  o 23.350  3.9659 4.6757   1.3998  4.2124   1.9948  5.1250   1.9648  21.219  5.8213 23.671  5.4125 -2.451576      7.948771 
1 1 1 20 16 2  o 16.277  4.9434 2.3555   1.3724  2.4204   1.8396  2.2739   2.0611  16.625  5.7727 16.464  6.0643 0.1601715      8.372588 
1 1 1 20 16 3  o 29.588  3.5517 7.3389   1.6145  7.7420   2.5621  7.0735   2.0792  28.912  5.8537 28.278  4.8658 0.6334553      7.611957 
1 1 1 20 16 4  o 31.087  3.1640 7.9907   1.5205  9.9162   2.2533  6.3810   2.0602  33.940  4.3339 26.667  5.1142 7.273335       6.703601 
1 1 1 20 16 5  o 12.107  5.0359 0.5964   1.5791  1.2123   2.1277  -0.1590  2.3561  14.462  5.9129 12.916  5.7544 1.546024       8.250762 
1 1 1 20 16 6  o 48.556  2.4899 19.056   1.8889  18.590   2.5188  19.655   2.8554  47.333  3.4174 48.367  3.7964 -1.033550      5.107936 
1 1 1 20 16 7  o 40.837  2.8746 13.635   1.8286  14.290   2.4907  12.871   2.6931  41.105  3.9124 38.513  4.5484 2.591873       5.999587 
1 1 1 20 16 8  o 16.838  5.8152 2.5233   1.8655  3.0831   2.2812  1.3931   3.2412  18.299  6.4243 16.480  7.0514 1.819704       9.539074 
1 1 1 20 16 9  o 44.266  3.5285 16.357   2.4282  17.803   3.1676  14.295   3.7814  45.338  4.5168 38.794  6.4439 6.544468       7.869270 
1 1 1 20 16 10 o 37.443  3.6350 11.779   2.1068  10.109   2.5925  15.026   3.6150  33.640  5.0738 40.307  5.8954 -6.667046      7.778102 
1 1 1 20 16 11 o 13.917  5.4400 1.3534   1.7199  2.6613   2.3130  -0.2644  2.5724  17.356  6.4184 13.211  5.9397 4.145350       8.745034 
1 1 1 20 16 12 o 20.557  5.0254 3.8566   1.6059  2.5948   2.1893  5.3261   2.3627  17.111  6.2580 23.398  6.3009 -6.287174      8.880504 
1 1 1 20 16 13 o 24.073  4.2930 5.0753   1.5607  5.0870   2.0834  5.0603   2.3561  23.191  5.7574 22.726  6.3616 0.4645882      8.580016 
1 1 1 20 16 14 o 28.547  3.5351 6.8816   1.5482  8.1686   2.0604  5.2127   2.3463  30.548  4.4319 23.070  6.3069 7.477346       7.708393 
1 1 1 20 16 15 o 17.717  4.8588 2.8620   1.3900  3.6484   1.8295  1.7882   2.1378  19.630  5.6440 15.352  6.0456 4.277963       8.270672 
1 1 1 20 16 16 o 11.078  4.6856 0.3771   1.4027  0.2210   1.9293  0.5521   2.0429  12.239  5.3384 13.016  5.5844 -0.7768793     7.725589 
1 1 1 20 16 17 o 40.760  2.5067 13.516   1.5940  13.858   2.1657  13.111   2.3545  40.639  3.4315 39.166  3.8860 1.473003       5.184236 
1 1 1 20 16 18 o 10.945  4.6565 0.3292   1.3987  2.2420   1.9156  -1.8551  2.0470  15.974  5.8520 10.063  4.7807 5.911582       7.556571 
1 1 1 20 16 19 o 14.074  4.9577 1.6875   1.3593  2.0334   1.8429  1.2747   2.0131  15.413  5.7233 14.101  5.7568 1.312027       8.117717 
1 1 1 20 16 20 o 51.061  2.1606 20.990   1.7295  23.189   2.3838  18.547   2.5131  53.064  2.8763 46.957  3.4378 6.106556       4.482421 
1 1 1 20 16 21 o 39.302  2.5844 12.634   1.5834  13.518   2.1388  11.562   2.3555  40.029  3.4417 36.378  4.2079 3.650959       5.436181 
1 1 1 20 16 22 o 28.820  3.3961 7.0378   1.5049  10.952   2.0846  2.7782   2.1748  35.719  3.7802 17.155  6.2428 18.56414       7.298102 
1 1 1 20 16 23 o 37.103  2.6502 11.307   1.5313  9.8845   2.0595  13.065   2.2901  33.747  3.9686 38.998  3.7940 -5.250477      5.490413 
1 1 1 20 16 24 o 16.054  5.0537 2.3937   1.4192  4.3823   1.9637  0.2190   2.0535  21.126  5.7675 12.364  5.4468 8.762636       7.932948 
1 1 1 20 16 25 o 25.228  3.6903 5.5041   1.4163  5.6904   1.9559  5.2986   2.0536  24.560  5.2399 23.329  5.6706 1.230158       7.720859 
1 1 1 20 16 26 f 25.499  3.7841 5.6556   1.4667  4.5738   1.9950  6.9281   2.1638  21.501  5.7899 27.094  5.2841 -5.593504      7.838658 
1 1 1 20 16 27 o 15.926  5.0307 2.3718   1.4053  4.4343   1.8937  -0.1562  2.0966  21.274  5.6012 11.897  5.3543 9.377042       7.748688 
1 1 1 20 16 28 o 17.650  4.9456 2.9441   1.4232  3.0698   1.8887  2.7791   2.1648  17.634  5.8531 16.932  6.2183 0.7022285      8.539673 
1 1 1 20 16 29 o 24.471  4.4661 5.4359   1.6501  5.2349   2.4292  5.6081   2.2486  22.265  6.5331 23.531  6.0592 -1.266136      8.910457 
1 1 1 20 16 30 o 31.459  3.6694 8.5629   1.7757  5.0723   2.5923  11.648   2.4372  21.579  6.8343 36.034  4.4062 -14.45556      8.131538 
1 1 1 20 16 31 o 11.767  4.9878 0.5936   1.5950  -0.8953  2.3577  1.8499   2.1658  11.595  5.3871 15.009  6.0273 -3.414041      8.083860 
1 1 1 20 16 32 o 9.6449  4.3804 -0.4148  1.4414  -0.1112  1.9192  -0.8076  2.1830  11.429  5.1353 11.246  5.2107 0.1828175      7.315897 
1 1 1 20 16 33 o 13.469  5.0299 1.5382   1.4274  2.6407   1.9420  0.2426   2.1051  16.411  5.9101 12.303  5.4625 4.108479       8.047877 
1 1 1 20 16 34 o 27.942  3.7515 6.8498   1.6018  6.3595   2.2840  7.3243   2.2470  25.004  5.9187 27.427  5.4181 -2.422993      8.024129 
1 1 1 20 16 35 o 22.194  4.7158 4.6382   1.5901  5.5917   2.2216  3.6366   2.2771  23.170  6.0505 18.396  6.4206 4.773998       8.822312 
1 1 1 20 16 36 o 17.703  5.4336 3.1559   1.6524  3.5428   2.2504  2.7034   2.4340  18.110  6.3789 16.409  6.4544 1.700930       9.074662 
1 1 1 20 16 37 o 14.488  5.4012 1.9570   1.6445  3.8244   2.1944  -0.4351  2.4836  18.685  6.3102 12.077  5.5823 6.607541       8.425041 
1 1 1 20 16 38 f 23.811  4.4724 5.3117   1.6081  8.1132   2.3483  2.8376   2.2068  28.484  5.4576 16.425  6.2282 12.05949       8.281024 
1 1 1 20 16 39 o 25.972  4.3777 6.2962   1.7191  5.5963   2.3741  7.0676   2.4924  22.234  6.4401 25.390  6.2934 -3.156534      9.004520 
1 1 1 20 16 40 o 25.586  4.2140 6.0841   1.6314  9.2811   2.3693  3.2019   2.2497  30.641  5.1127 16.867  6.3116 13.77374       8.122535 
1 1 1 20 16 41 o 18.297  5.2909 3.5098   1.6036  5.8015   2.2330  1.0693   2.3044  22.732  6.1272 13.167  5.7863 9.565026       8.427570 
1 1 1 20 17 0  o 6.3190  4.5624 -3.9992  2.3185  -3.9992  2.3185  -3.9992  2.3185  6.3190  4.5624 6.3190  4.5624 0.000000       0.000000 
1 1 1 20 17 1  o 34.309  3.5113 9.9743   1.8619  11.836   2.6161  8.0627   2.6506  36.387  4.6957 28.789  6.0645 7.598122       7.669911 
1 1 1 20 17 2  o 28.451  4.2422 7.1177   1.8343  5.2577   2.5368  9.1555   2.6553  22.580  6.6903 31.123  5.6504 -8.542530      8.757134 
1 1 1 20 17 3  o 20.384  5.8956 4.0697   1.9910  2.4196   2.8245  5.6994   2.8069  16.950  6.8563 23.175  7.0766 -6.224447      9.853254 
1 1 1 20 17 4  o 26.170  4.9654 6.2763   1.9625  6.3862   2.5810  6.1257   3.0217  25.105  6.5052 23.757  7.3571 1.347250       9.820631 
1 1 1 20 17 5  o 35.013  3.1899 10.259   1.7317  7.9588   2.3793  12.850   2.5251  29.166  5.4028 38.293  4.2796 -9.127693      6.892434 
1 1 1 20 17 6  o 33.366  3.4003 9.4057   1.7537  8.4027   2.5964  10.247   2.3783  29.612  5.8004 33.885  4.5958 -4.272440      7.400434 
1 1 1 20 17 7  o 11.624  5.0174 0.3225   1.6681  0.0742   2.3633  0.5690   2.3547  12.904  5.7550 13.534  5.9008 -0.6304951     8.242559 
1 1 1 20 17 8  o 10.605  4.7785 -0.3462  1.6759  2.1395   2.4011  -2.7073  2.3402  16.050  6.3795 10.115  4.8853 5.934532       8.035130 
1 1 1 20 17 9  f 34.225  3.3695 9.8933   1.7844  7.7073   2.6241  11.774   2.4337  27.940  6.1571 36.544  4.3326 -8.604053      7.528664 
1 1 1 20 17 10 o 13.799  5.2440 1.5175   1.5666  0.3609   2.2699  2.5696   2.1649  13.047  5.7379 16.665  6.2002 -3.618688      8.447882 
1 1 1 20 17 11 o 13.070  5.1878 1.1881   1.5858  4.1399   2.3714  -1.1996  2.1328  20.047  6.5540 10.856  5.0704 9.191345       8.286361 
1 1 1 20 17 12 o 48.991  2.3884 19.492   1.8344  19.501   2.6795  19.484   2.5166  47.856  3.5979 48.078  3.3600 -0.2219467     4.922877 
1 1 1 20 17 13 o 40.838  2.7347 13.748   1.7407  14.987   2.4504  12.487   2.4731  41.732  3.7868 37.627  4.2681 4.104786       5.705836 
1 1 1 20 17 14 f 25.754  3.9364 5.8072   1.5388  8.2209   2.1765  3.3946   2.1760  30.029  4.7838 18.385  6.2834 11.64468       7.897163 
1 1 1 20 17 15 o 31.668  3.3154 8.4953   1.6215  9.1472   2.3334  7.8865   2.2550  31.602  4.8661 29.079  5.1343 2.522917       7.073884 
1 1 1 20 17 16 o 9.0475  4.1720 -0.7109  1.3752  -0.0010  1.8847  -1.5193  2.0110  11.590  5.1562 10.149  4.7971 1.440664       7.042657 
1 1 1 20 17 17 o 10.480  4.5474 0.1725   1.3847  -0.5741  1.8785  1.0608   2.0490  10.802  4.9423 13.562  5.6957 -2.759604      7.541067 
1 1 1 20 17 18 o 24.564  3.9773 5.3246   1.4792  4.1446   1.9557  6.9020   2.2613  20.344  5.8314 26.692  5.5835 -6.347811      8.073466 
1 1 1 20 17 19 o 19.520  4.7059 3.5517   1.4232  3.7433   1.8888  3.3000   2.1648  19.343  5.7824 18.031  6.2622 1.312073       8.523596 
1 1 1 20 17 20 o 43.431  2.4881 15.466   1.6870  13.732   2.2177  17.847   2.5990  39.998  3.5744 45.520  3.6734 -5.521702      5.125477 
1 1 1 20 17 21 o 43.834  2.5064 15.772   1.7152  16.236   2.3438  15.237   2.5167  43.609  3.4567 41.798  3.8853 1.811337       5.200421 
1 1 1 20 17 22 o 9.0532  4.2087 -0.8530  1.4424  -3.8190  1.8548  3.6854   2.2943  7.8475  3.8989 18.741  6.4503 -10.89305      7.537111 
1 1 1 20 17 23 o 24.147  4.0679 5.2040   1.4851  5.9240   2.0191  4.3553   2.1921  24.742  5.3605 20.379  6.2590 4.362930       8.240750 
1 1 1 20 17 24 o 32.218  3.0941 8.7666   1.5435  11.328   2.1045  5.7846   2.2707  36.045  3.7806 23.731  6.0771 12.31383       7.157141 
1 1 1 20 17 25 o 11.927  4.9643 0.7737   1.5360  2.9563   2.2226  -1.2217  2.1252  17.098  6.2975 10.647  5.0010 6.451091       8.041696 
1 1 1 20 17 26 o 15.738  5.2371 2.3776   1.5117  0.0064   2.1340  4.7660   2.1417  12.027  5.4083 21.374  6.0943 -9.347303      8.148029 
1 1 1 20 17 27 o 11.390  4.8995 0.4528   1.5796  -0.8473  2.2534  1.7091   2.2150  11.299  5.2554 14.652  6.0167 -3.352946      7.988714 
1 1 1 20 17 28 o 15.378  5.3664 2.2701   1.5907  1.2365   2.2322  3.3365   2.2673  13.867  5.8904 17.749  6.3866 -3.882011      8.688241 
1 1 1 20 17 29 o 15.202  5.3791 2.2169   1.6020  4.8012   2.3700  0.0429   2.1738  20.853  6.5252 12.069  5.4401 8.783267       8.495486 
1 1 1 20 17 30 f 30.952  3.7376 8.4454   1.7769  9.4355   2.7563  7.7412   2.3243  30.291  6.0165 27.925  5.5051 2.366245       8.155007 
1 1 1 20 17 31 o 14.025  5.1678 1.8080   1.4969  4.1707   2.2408  -0.0963  2.0117  19.405  6.3722 11.467  5.1949 7.937725       8.221419 
1 1 1 20 17 32 o 18.836  5.2388 3.5770   1.6032  1.8115   2.2460  5.4111   2.2892  14.568  6.0281 22.180  6.2925 -7.612388      8.713996 
1 1 1 20 17 33 o 20.342  5.0575 4.1166   1.6059  5.7590   2.3360  2.6449   2.2113  22.772  6.3203 15.953  6.1870 6.819751       8.844478 
1 1 1 20 17 34 o 36.789  2.9406 11.525   1.6817  11.719   2.2534  11.281   2.5267  35.834  4.0842 34.227  4.8442 1.607014       6.336180 
1 1 1 20 17 35 o 28.515  3.6656 7.2807   1.6007  6.7022   2.1561  7.9910   2.3892  25.379  5.5720 27.626  5.7056 -2.247288      7.974988 
1 1 1 20 17 36 o 14.635  5.4078 2.1808   1.6413  3.6368   2.0605  -0.3470  2.7149  17.787  6.1133 12.177  5.6981 5.609762       8.357069 
1 1 1 20 17 37 o 38.499  3.0341 12.825   1.8163  12.274   2.4370  13.514   2.7243  35.855  4.4300 37.083  4.7988 -1.228531      6.530900 
1 1 1 20 18 0  o 6.2511  4.4731 -2.8445  2.0185  -2.8445  2.0185  -2.8445  2.0185  6.2511  4.4731 6.2511  4.4731 0.000000       0.000000 
1 1 1 20 18 1  o 28.580  3.4798 7.0322   1.5269  9.1572   2.1748  4.9664   2.1442  31.777  4.4909 22.001  6.0353 9.776236       7.522820 
1 1 1 20 18 2  o 19.794  4.8963 3.7173   1.5109  0.4251   2.2277  6.5219   2.0561  12.831  5.6620 26.153  5.1982 -13.32173      7.686285 
1 1 1 20 18 3  o 30.144  3.4386 7.8004   1.5959  6.3896   2.1109  9.6822   2.4380  25.679  5.4142 32.193  4.9924 -6.513670      7.364669 
1 1 1 20 18 4  o 13.074  5.0101 1.3654   1.4375  1.2436   2.1698  1.4608   1.9190  13.933  5.8568 13.953  5.6489 -0.2086926E-01 8.137063 
1 1 1 20 18 5  o 15.732  5.1067 2.3498   1.4407  1.5032   1.9891  3.2840   2.0894  14.121  5.7387 17.904  6.1559 -3.783803      8.415974 
1 1 1 20 18 6  o 23.908  4.1951 5.1449   1.5150  2.7132   2.1120  7.7223   2.1744  16.619  6.1357 28.655  5.0235 -12.03650      7.929833 
1 1 1 20 18 7  o 11.448  4.7492 0.6851   1.3990  1.0694   2.0068  0.3218   1.9514  13.375  5.6279 12.097  5.3202 1.277827       7.744519 
1 1 1 20 18 8  o 17.352  5.0631 2.9010   1.4626  3.9949   2.0676  1.8054   2.0692  19.620  6.0875 14.757  5.9037 4.863358       8.480062 
1 1 1 20 18 9  o 24.522  4.0820 5.3790   1.5140  6.2165   2.0000  4.2548   2.3172  25.483  5.1828 19.916  6.4771 5.566860       8.295425 
1 1 1 20 18 10 o 15.126  5.2342 2.1482   1.5117  2.5256   2.0158  1.6633   2.2852  16.155  5.9884 14.719  6.0847 1.436269       8.537269 
1 1 1 20 18 11 o 10.765  4.6626 0.2728   1.4506  -0.6410  1.9342  1.4474   2.1929  10.767  4.9588 14.241  5.9299 -3.474415      7.730028 
1 1 1 20 18 12 o 10.634  4.7215 -0.0047  1.5725  0.1333   2.0036  -0.2259  2.5374  11.911  5.3065 12.585  5.7527 -0.6737375     7.826391 
1 1 1 20 18 13 o 10.735  4.7470 0.0599   1.5740  -0.5873  2.1028  0.8845   2.3737  11.240  5.1743 13.631  5.9341 -2.390794      7.873171 
1 1 1 20 18 14 o 30.024  3.7509 7.8994   1.7269  7.6425   2.2170  8.2957   2.7538  28.240  5.1993 28.141  6.3884 0.9954453E-01  8.236769 
1 1 1 20 18 15 o 26.885  4.2752 6.5483   1.7416  5.7579   2.3179  7.5731   2.6391  23.402  6.2138 26.828  6.3701 -3.425980      8.898879 
1 1 1 20 18 16 o 48.044  2.6528 19.124   1.9903  17.932   2.5943  20.828   3.1028  45.417  3.6753 48.347  4.1336 -2.930527      5.531224 
1 1 1 20 18 17 o 17.155  5.4271 2.9290   1.6350  1.4753   2.0905  5.2197   2.6241  14.074  5.8190 21.457  6.8847 -7.383098      9.014396 
1 1 1 20 18 18 o 16.753  5.3248 2.7751   1.5726  4.2860   2.1867  1.1567   2.2631  19.972  6.2708 13.775  5.8930 6.197017       8.605281 
1 1 1 20 18 19 o 23.333  4.4336 5.0315   1.5625  3.2648   2.0530  7.4639   2.4088  17.647  6.1000 27.117  5.8391 -9.469814      8.444248 
1 1 1 20 18 20 o 35.586  2.9481 10.679   1.6299  11.313   2.1005  9.7198   2.5838  35.830  3.7974 31.499  5.4284 4.330894       6.624801 
1 1 1 20 18 21 o 11.308  4.8480 0.5053   1.5375  -0.4311  2.2017  1.3965   2.1480  11.533  5.3039 13.912  5.8366 -2.378867      7.886577 
1 1 1 20 18 22 o 20.671  4.9923 4.1661   1.5995  3.1465   2.2486  5.2105   2.2757  17.171  6.3326 21.874  6.2964 -4.703012      8.930119 
1 1 1 20 18 23 o 46.701  2.6062 18.130   1.9004  18.444   2.6826  17.813   2.6927  45.709  3.7776 44.790  3.8729 0.9182434      5.410170 
1 1 1 20 18 24 o 39.707  2.9422 13.344   1.8184  14.841   2.5983  11.907   2.5457  40.461  4.1554 35.606  4.6736 4.855038       6.253739 
1 1 1 20 18 25 o 13.610  5.1693 1.6661   1.5217  0.6906   2.0693  2.8149   2.2456  12.560  5.5022 16.324  6.2606 -3.764142      8.334805 
1 1 1 20 18 26 o 16.194  5.5464 2.7107   1.6955  3.8043   2.3105  1.4345   2.4960  18.240  6.4593 14.131  6.1182 4.109381       8.896937 
1 1 1 20 18 27 o 10.784  4.8068 0.1259   1.6462  -1.5234  2.1801  2.3138   2.5109  10.226  4.8793 15.349  6.3645 -5.123579      8.019641 
1 1 1 20 18 28 o 18.224  5.8944 3.6597   1.9206  3.4092   2.2554  4.3207   3.6635  17.257  6.3456 17.973  7.5856 -0.7164898     9.889775 
1 1 1 20 18 29 o 9.6118  4.5114 -0.8829  1.7240  -1.0801  2.4618  -0.6931  2.4150  11.127  5.2735 11.384  5.3422 -0.2576313     7.506598 
1 1 1 20 18 30 o 10.477  4.8199 -0.3122  1.8204  -0.4378  2.3897  -0.1385  2.8099  11.515  5.3743 12.471  5.8231 -0.9565372     7.924078 
1 1 1 20 18 31 o 28.403  4.9701 8.0826   2.1324  7.6200   2.5582  9.1357   3.8600  25.638  6.3882 23.959  8.3597 1.678627       10.52114 
1 1 1 20 18 32 o 26.693  5.3858 7.4971   2.1760  7.6382   2.6991  7.2351   3.6778  24.873  6.7499 21.028  8.0244 3.844500       10.48584 
1 1 1 20 19 0  o 6.5281  4.6139 -2.0433  1.9192  -2.0433  1.9192  -2.0433  1.9192  6.5281  4.6139 6.5281  4.6139 0.000000       0.000000 
1 1 1 20 19 1  o 46.195  2.3839 17.564   1.7205  15.002   2.3869  20.335   2.4822  41.298  3.7270 48.715  3.2692 -7.417873      4.957662 
1 1 1 20 19 2  o 11.073  4.7699 0.4369   1.5015  0.0386   1.9751  0.9821   2.3110  11.569  5.2027 13.465  5.8586 -1.896177      7.835277 
1 1 1 20 19 3  o 20.862  4.5896 4.1179   1.4603  3.5012   2.0243  4.7871   2.1085  18.096  6.0610 21.171  6.0504 -3.075176      8.564099 
1 1 1 20 19 4  o 14.853  5.2582 2.1210   1.5310  4.4222   2.1225  -0.3749  2.2104  20.213  6.1496 11.576  5.3202 8.636519       8.131560 
1 1 1 20 19 5  o 32.655  3.0780 9.0870   1.5571  8.4300   2.1773  9.7747   2.2278  29.826  4.8211 32.498  4.4930 -2.672365      6.590187 
1 1 1 20 19 6  o 12.083  4.8838 1.0248   1.4320  4.1163   2.0334  -2.0175  2.0171  19.586  6.0303 9.4989  4.5745 10.08677       7.569030 
1 1 1 20 19 7  o 15.431  5.1044 2.3299   1.4368  2.2605   2.0453  2.3976   2.0190  15.309  5.9466 15.579  5.9454 -0.2702475     8.408924 
1 1 1 20 19 8  o 14.372  5.0917 1.9564   1.4358  0.3946   1.9992  3.6203   2.0635  12.076  5.3444 18.291  6.1195 -6.214947      8.124666 
1 1 1 20 19 9  o 11.099  4.7038 0.5741   1.4181  2.0999   2.0329  -0.8718  1.9790  14.957  5.8937 10.463  4.8858 4.493833       7.655533 
1 1 1 20 19 10 o 7.8174  3.7847 -1.8166  1.4262  -2.9385  1.8662  -0.2413  2.2114  8.3427  4.1009 11.683  5.3515 -3.340205      6.742087 
1 1 1 20 19 11 o 12.438  4.9883 1.1680   1.4813  2.2689   1.9629  -0.2886  2.2577  15.230  5.8502 11.713  5.3807 3.516872       7.948367 
1 1 1 20 19 12 o 9.4702  4.3531 -0.5162  1.4807  -0.9518  1.9765  0.0410   2.2356  10.343  4.8470 12.029  5.4601 -1.685689      7.301122 
1 1 1 20 19 13 o 12.181  4.9599 1.0561   1.4895  0.3899   1.9850  1.9145   2.2532  11.972  5.3107 14.685  6.0537 -2.712305      8.052938 
1 1 1 20 19 14 o 16.809  5.2414 2.8698   1.5307  2.3973   2.0314  3.4904   2.3282  15.436  5.9458 17.600  6.4509 -2.164458      8.773081 
1 1 1 20 19 15 o 23.086  4.2915 4.9676   1.4959  5.5132   2.0301  4.3194   2.2128  22.986  5.6691 19.529  6.3281 3.457613       8.496094 
1 1 1 20 19 16 o 16.738  5.3911 2.8984   1.6079  1.6714   2.1969  4.3138   2.3596  14.140  5.9156 19.222  6.5432 -5.082301      8.820815 
1 1 1 20 19 17 o 38.147  3.0008 12.435   1.7800  12.481   2.5274  12.389   2.5073  36.406  4.5260 36.303  4.5024 0.1034279      6.384097 
1 1 1 20 19 18 o 18.522  5.2870 3.5510   1.6109  3.4357   2.2864  3.6646   2.2701  17.309  6.3853 17.803  6.3921 -0.4944000     9.034995 
1 1 1 20 19 19 o 8.5082  4.0680 -1.3967  1.5316  -0.5060  2.1633  -2.2918  2.1687  11.100  5.1582 9.5268  4.6252 1.573344       6.928185 
1 1 1 20 19 20 o 15.606  5.4218 2.5463   1.6228  3.1139   2.3211  2.0034   2.2699  16.513  6.3570 14.545  6.0428 1.968388       8.770812 
1 1 1 20 19 21 o 20.201  5.1273 4.1916   1.6265  3.4221   2.2890  4.9764   2.3116  17.061  6.3700 20.441  6.4515 -3.380236      9.066354 
1 1 1 20 19 22 o 17.500  5.5693 3.3449   1.7199  2.9803   2.3673  3.7524   2.5029  16.087  6.3533 17.424  6.6267 -1.336571      9.180304 
1 1 1 20 19 23 o 12.267  5.3921 0.8199   2.0021  4.7625   2.8656  -2.9403  2.7985  18.709  7.0965 10.332  5.0669 8.377243       8.719772 
1 1 1 20 19 24 o 15.405  6.0059 2.6730   2.0922  4.0088   2.9558  1.3319   2.9617  17.233  6.9987 13.859  6.2885 3.373805       9.408906 
1 1 1 20 19 25 o 12.004  5.3381 0.7070   2.0177  2.4742   2.9171  -0.9139  2.7938  15.006  6.5544 11.567  5.5203 3.439667       8.569382 
1 1 1 20 19 26 o 10.314  4.9853 -1.6999  2.4492  0.1898   3.7314  -3.1304  3.2464  13.326  6.3653 10.814  5.3335 2.511724       8.304442 
1 1 1 20 20 0  o 13.891  7.9453 2.3536   2.7301  2.3536   2.7301  2.3536   2.7301  13.891  7.9453 13.891  7.9453 0.000000       0.000000 
1 1 1 20 20 1  o 32.287  5.1323 9.4347   2.4011  9.4347   2.4011  9.4347   2.4011  32.287  5.1323 32.287  5.1323 0.000000       0.000000 
1 1 1 20 20 2  o 8.3649  5.5646 -0.1584  1.9591  -0.1584  1.9591  -0.1584  1.9591  8.3649  5.5646 8.3649  5.5646 0.000000       0.000000 
1 1 1 20 20 3  o 10.714  6.4764 1.3100   1.9969  1.3100   1.9969  1.3100   1.9969  10.714  6.4764 10.714  6.4764 0.000000       0.000000 
1 1 1 20 20 4  o 8.3972  5.5976 -0.1945  2.0003  -0.1945  2.0003  -0.1945  2.0003  8.3972  5.5976 8.3972  5.5976 0.000000       0.000000 
1 1 1 20 20 5  o 5.9427  4.2830 -3.1630  2.0004  -3.1630  2.0004  -3.1630  2.0004  5.9427  4.2830 5.9427  4.2830 0.000000       0.000000 
1 1 1 20 20 6  o 8.2947  5.5683 -0.3416  2.0416  -0.3416  2.0416  -0.3416  2.0416  8.2947  5.5683 8.2947  5.5683 0.000000       0.000000 
1 1 1 20 20 7  o 10.728  6.5058 1.3145   2.0282  1.3145   2.0282  1.3145   2.0282  10.728  6.5058 10.728  6.5058 0.000000       0.000000 
1 1 1 20 20 8  o 19.766  7.4374 4.6928   2.1554  4.6928   2.1554  4.6928   2.1554  19.766  7.4374 19.766  7.4374 0.000000       0.000000 
1 1 1 20 20 9  o 7.5590  5.1917 -0.9322  1.9956  -0.9322  1.9956  -0.9322  1.9956  7.5590  5.1917 7.5590  5.1917 0.000000       0.000000 
1 1 1 20 20 10 o 6.8302  4.8414 -2.2679  2.1648  -2.2679  2.1648  -2.2679  2.1648  6.8302  4.8414 6.8302  4.8414 0.000000       0.000000 
1 1 1 20 20 11 o 10.822  6.8427 1.1117   2.4864  1.1117   2.4864  1.1117   2.4864  10.822  6.8427 10.822  6.8427 0.000000       0.000000 
1 1 1 20 20 12 o 8.3800  5.8345 -1.6088  2.7438  -1.6088  2.7438  -1.6088  2.7438  8.3800  5.8345 8.3800  5.8345 0.000000       0.000000 
1 1 1 20 20 13 o 22.264  9.0686 6.6769   3.1096  6.6769   3.1096  6.6769   3.1096  22.264  9.0686 22.264  9.0686 0.000000       0.000000 
1 1 1 20 20 14 o 10.967  7.4080 0.0365   3.7203  0.0365   3.7203  0.0365   3.7203  10.967  7.4080 10.967  7.4080 0.000000       0.000000 
1 1 1 20 20 15 f 11.531  7.5628 1.0153   3.4209  1.0153   3.4209  1.0153   3.4209  11.531  7.5628 11.531  7.5628 0.000000       0.000000 
1 1 1 20 20 16 o 9.4300  6.5840 -1.7594  3.5612  -1.7594  3.5612  -1.7594  3.5612  9.4300  6.5840 9.4300  6.5840 0.000000       0.000000 
1 1 1 20 20 17 o 14.460  8.7832 3.4294   3.7089  3.4294   3.7089  3.4294   3.7089  14.460  8.7832 14.460  8.7832 0.000000       0.000000 
1 1 1 20 20 18 o 15.918  9.3008 4.5208   3.8661  4.5208   3.8661  4.5208   3.8661  15.918  9.3008 15.918  9.3008 0.000000       0.000000 
1 1 1 21 0  0  o 345.429 4.5632 936.544  24.701  936.544  24.701  936.544  24.701  345.429 4.5632 345.429 4.5632 0.000000       0.000000 
1 1 1 21 0  1  o 238.793 2.5034 447.328  9.3691  447.328  9.3691  447.328  9.3691  238.793 2.5034 238.793 2.5034 0.000000       0.000000 
1 1 1 21 0  2  f 31.619  4.2859 8.2677   2.0144  8.2677   2.0144  8.2677   2.0144  31.619  4.2859 31.619  4.2859 0.000000       0.000000 
1 1 1 21 0  3  o 266.794 2.6715 558.412  11.171  558.412  11.171  558.412  11.171  266.794 2.6715 266.794 2.6715 0.000000       0.000000 
1 1 1 21 0  4  o 7.7051  5.2026 -0.8693  1.8318  -0.8693  1.8318  -0.8693  1.8318  7.7051  5.2026 7.7051  5.2026 0.000000       0.000000 
1 1 1 21 0  5  o 107.273 2.0314 90.328   3.4134  90.328   3.4134  90.328   3.4134  107.273 2.0314 107.273 2.0314 0.000000       0.000000 
1 1 1 21 0  6  o 207.908 2.5420 339.149  8.2824  339.149  8.2824  339.149  8.2824  207.908 2.5420 207.908 2.5420 0.000000       0.000000 
1 1 1 21 0  7  o 33.393  5.0005 9.3249   2.4448  9.3249   2.4448  9.3249   2.4448  33.393  5.0005 33.393  5.0005 0.000000       0.000000 
1 1 1 21 0  8  o 64.212  2.5896 32.494   2.5972  32.494   2.5972  32.494   2.5972  64.212  2.5896 64.212  2.5896 0.000000       0.000000 
1 1 1 21 0  9  o 37.211  4.0649 11.251   2.2993  11.251   2.2993  11.251   2.2993  37.211  4.0649 37.211  4.0649 0.000000       0.000000 
1 1 1 21 0  10 o 226.097 3.3710 401.361  11.942  401.361  11.942  401.361  11.942  226.097 3.3710 226.097 3.3710 0.000000       0.000000 
1 1 1 21 0  11 o 40.901  3.7016 13.448   2.3287  13.448   2.3287  13.448   2.3287  40.901  3.7016 40.901  3.7016 0.000000       0.000000 
1 1 1 21 0  12 o 140.590 2.4783 155.160  5.4583  155.160  5.4583  155.160  5.4583  140.590 2.4783 140.590 2.4783 0.000000       0.000000 
1 1 1 21 0  13 o 132.218 2.4465 137.244  5.0670  137.244  5.0670  137.244  5.0670  132.218 2.4465 132.218 2.4465 0.000000       0.000000 
1 1 1 21 0  14 o 45.654  3.5682 16.655   2.5179  16.655   2.5179  16.655   2.5179  45.654  3.5682 45.654  3.5682 0.000000       0.000000 
1 1 1 21 0  15 o 120.496 2.2161 113.980  4.1831  113.980  4.1831  113.980  4.1831  120.496 2.2161 120.496 2.2161 0.000000       0.000000 
1 1 1 21 0  16 o 250.734 2.8174 493.374  11.071  493.374  11.071  493.374  11.071  250.734 2.8174 250.734 2.8174 0.000000       0.000000 
1 1 1 21 0  17 o 8.9212  5.7654 -0.0552  1.8874  -0.0552  1.8874  -0.0552  1.8874  8.9212  5.7654 8.9212  5.7654 0.000000       0.000000 
1 1 1 21 0  18 o 94.762  2.2272 70.543   3.3044  70.543   3.3044  70.543   3.3044  94.762  2.2272 94.762  2.2272 0.000000       0.000000 
1 1 1 21 0  19 o 90.638  2.2505 64.552   3.1933  64.552   3.1933  64.552   3.1933  90.638  2.2505 90.638  2.2505 0.000000       0.000000 
1 1 1 21 0  20 o 19.455  7.1558 3.9813   2.0185  3.9813   2.0185  3.9813   2.0185  19.455  7.1558 19.455  7.1558 0.000000       0.000000 
1 1 1 21 0  21 o 75.826  2.3045 45.224   2.7336  45.224   2.7336  45.224   2.7336  75.826  2.3045 75.826  2.3045 0.000000       0.000000 
1 1 1 21 0  22 o 15.330  7.0090 2.6937   1.8349  2.6937   1.8349  2.6937   1.8349  15.330  7.0090 15.330  7.0090 0.000000       0.000000 
1 1 1 21 0  23 o 68.509  2.3928 36.956   2.5627  36.956   2.5627  36.956   2.5627  68.509  2.3928 68.509  2.3928 0.000000       0.000000 
1 1 1 21 0  24 o 110.728 2.1459 96.283   3.7218  96.283   3.7218  96.283   3.7218  110.728 2.1459 110.728 2.1459 0.000000       0.000000 
1 1 1 21 0  25 o 149.472 2.1982 175.383  5.1484  175.383  5.1484  175.383  5.1484  149.472 2.1982 149.472 2.1982 0.000000       0.000000 
1 1 1 21 0  26 o 41.713  2.9535 13.864   1.9091  13.864   1.9091  13.864   1.9091  41.713  2.9535 41.713  2.9535 0.000000       0.000000 
1 1 1 21 0  27 o 106.035 1.9518 88.287   3.2419  88.287   3.2419  88.287   3.2419  106.035 1.9518 106.035 1.9518 0.000000       0.000000 
1 1 1 21 0  28 o 68.031  2.1398 36.421   2.2770  36.421   2.2770  36.421   2.2770  68.031  2.1398 68.031  2.1398 0.000000       0.000000 
1 1 1 21 0  29 o 154.215 2.0448 186.696  4.9414  186.696  4.9414  186.696  4.9414  154.215 2.0448 154.215 2.0448 0.000000       0.000000 
1 1 1 21 0  30 o 45.793  2.7576 16.647   1.9632  16.647   1.9632  16.647   1.9632  45.793  2.7576 45.793  2.7576 0.000000       0.000000 
1 1 1 21 0  31 o 6.2974  4.3760 -1.3514  1.5230  -1.3514  1.5230  -1.3514  1.5230  6.2974  4.3760 6.2974  4.3760 0.000000       0.000000 
1 1 1 21 0  32 o 36.666  3.1368 10.797   1.7727  10.797   1.7727  10.797   1.7727  36.666  3.1368 36.666  3.1368 0.000000       0.000000 
1 1 1 21 0  33 o 85.161  2.1623 57.041   2.8826  57.041   2.8826  57.041   2.8826  85.161  2.1623 85.161  2.1623 0.000000       0.000000 
1 1 1 21 0  34 f 71.405  2.1078 40.129   2.3548  40.129   2.3548  40.129   2.3548  71.405  2.1078 71.405  2.1078 0.000000       0.000000 
1 1 1 21 0  35 o 96.006  1.9405 72.433   2.9179  72.433   2.9179  72.433   2.9179  96.006  1.9405 96.006  1.9405 0.000000       0.000000 
1 1 1 21 0  36 o 37.659  2.9306 11.353   1.7060  11.353   1.7060  11.353   1.7060  37.659  2.9306 37.659  2.9306 0.000000       0.000000 
1 1 1 21 0  37 o 70.696  2.0815 39.346   2.3024  39.346   2.3024  39.346   2.3024  70.696  2.0815 70.696  2.0815 0.000000       0.000000 
1 1 1 21 0  38 o 26.461  4.0641 5.8968   1.5676  5.8968   1.5676  5.8968   1.5676  26.461  4.0641 26.461  4.0641 0.000000       0.000000 
1 1 1 21 0  39 o 124.919 1.9525 122.618  3.8214  122.618  3.8214  122.618  3.8214  124.919 1.9525 124.919 1.9525 0.000000       0.000000 
1 1 1 21 0  40 f 41.322  2.7723 13.613   1.7773  13.613   1.7773  13.613   1.7773  41.322  2.7723 41.322  2.7723 0.000000       0.000000 
1 1 1 21 0  41 o 136.870 1.9817 147.226  4.2500  147.226  4.2500  147.226  4.2500  136.870 1.9817 136.870 1.9817 0.000000       0.000000 
1 1 1 21 0  42 o 42.917  2.6388 14.653   1.7600  14.653   1.7600  14.653   1.7600  42.917  2.6388 42.917  2.6388 0.000000       0.000000 
1 1 1 21 0  43 o 58.128  2.1442 26.662   1.9479  26.662   1.9479  26.662   1.9479  58.128  2.1442 58.128  2.1442 0.000000       0.000000 
1 1 1 21 0  44 o 65.203  2.0296 33.502   2.0700  33.502   2.0700  33.502   2.0700  65.203  2.0296 65.203  2.0296 0.000000       0.000000 
1 1 1 21 0  45 o 6.7812  4.5452 -0.4919  1.3507  -0.4919  1.3507  -0.4919  1.3507  6.7812  4.5452 6.7812  4.5452 0.000000       0.000000 
1 1 1 21 0  46 o 16.970  6.2357 3.0656   1.5336  3.0656   1.5336  3.0656   1.5336  16.970  6.2357 16.970  6.2357 0.000000       0.000000 
1 1 1 21 0  47 o 5.7261  4.0170 -1.4422  1.3719  -1.4422  1.3719  -1.4422  1.3719  5.7261  4.0170 5.7261  4.0170 0.000000       0.000000 
1 1 1 21 0  48 o 13.302  6.1463 2.0703   1.4126  2.0703   1.4126  2.0703   1.4126  13.302  6.1463 13.302  6.1463 0.000000       0.000000 
1 1 1 21 0  49 o 9.2187  5.4756 0.7654   1.3793  0.7654   1.3793  0.7654   1.3793  9.2187  5.4756 9.2187  5.4756 0.000000       0.000000 
1 1 1 21 0  50 o 17.229  5.8426 3.0639   1.4134  3.0639   1.4134  3.0639   1.4134  17.229  5.8426 17.229  5.8426 0.000000       0.000000 
1 1 1 21 0  51 o 30.667  3.2334 7.6831   1.5149  7.6831   1.5149  7.6831   1.5149  30.667  3.2334 30.667  3.2334 0.000000       0.000000 
1 1 1 21 0  52 o 34.108  3.2641 9.4615   1.7086  9.4615   1.7086  9.4615   1.7086  34.108  3.2641 34.108  3.2641 0.000000       0.000000 
1 1 1 21 0  53 o 73.720  2.1510 42.924   2.4811  42.924   2.4811  42.924   2.4811  73.720  2.1510 73.720  2.1510 0.000000       0.000000 
1 1 1 21 0  54 o 28.145  4.9107 6.8969   1.9692  6.8969   1.9692  6.8969   1.9692  28.145  4.9107 28.145  4.9107 0.000000       0.000000 
1 1 1 21 0  55 o 45.875  3.5855 17.067   2.5424  17.067   2.5424  17.067   2.5424  45.875  3.5855 45.875  3.5855 0.000000       0.000000 
1 1 1 21 0  56 o 5.5029  3.9331 -2.2701  1.5430  -2.2701  1.5430  -2.2701  1.5430  5.5029  3.9331 5.5029  3.9331 0.000000       0.000000 
1 1 1 21 0  57 o 9.2052  5.6571 0.6392   1.5799  0.6392   1.5799  0.6392   1.5799  9.2052  5.6571 9.2052  5.6571 0.000000       0.000000 
1 1 1 21 0  58 o 45.638  2.7258 16.706   1.9343  16.706   1.9343  16.706   1.9343  45.638  2.7258 45.638  2.7258 0.000000       0.000000 
1 1 1 21 0  59 f 20.242  5.9275 4.0977   1.6338  4.0977   1.6338  4.0977   1.6338  20.242  5.9275 20.242  5.9275 0.000000       0.000000 
1 1 1 21 0  60 o 20.735  6.1950 4.3615   1.7536  4.3615   1.7536  4.3615   1.7536  20.735  6.1950 20.735  6.1950 0.000000       0.000000 
1 1 1 21 0  61 o 5.9813  4.2525 -2.1784  1.7151  -2.1784  1.7151  -2.1784  1.7151  5.9813  4.2525 5.9813  4.2525 0.000000       0.000000 
1 1 1 21 0  62 f 25.962  5.3753 6.1990   1.9306  6.1990   1.9306  6.1990   1.9306  25.962  5.3753 25.962  5.3753 0.000000       0.000000 
1 1 1 21 0  63 o 14.644  7.1277 2.7723   1.9230  2.7723   1.9230  2.7723   1.9230  14.644  7.1277 14.644  7.1277 0.000000       0.000000 
1 1 1 21 0  64 o 57.714  3.2746 27.103   2.9410  27.103   2.9410  27.103   2.9410  57.714  3.2746 57.714  3.2746 0.000000       0.000000 
1 1 1 21 0  65 o 28.333  6.1858 7.6420   2.4066  7.6420   2.4066  7.6420   2.4066  28.333  6.1858 28.333  6.1858 0.000000       0.000000 
1 1 1 21 0  66 o 42.414  3.0422 14.695   1.9989  14.695   1.9989  14.695   1.9989  42.414  3.0422 42.414  3.0422 0.000000       0.000000 
1 1 1 21 0  67 o 32.325  3.7376 8.8504   1.8281  8.8504   1.8281  8.8504   1.8281  32.325  3.7376 32.325  3.7376 0.000000       0.000000 
1 1 1 21 0  68 o 28.985  4.1131 7.3082   1.7602  7.3082   1.7602  7.3082   1.7602  28.985  4.1131 28.985  4.1131 0.000000       0.000000 
1 1 1 21 0  69 o 11.082  6.5096 1.5339   1.9115  1.5339   1.9115  1.5339   1.9115  11.082  6.5096 11.082  6.5096 0.000000       0.000000 
1 1 1 21 0  70 o 16.069  7.7035 3.6236   2.2360  3.6236   2.2360  3.6236   2.2360  16.069  7.7035 16.069  7.7035 0.000000       0.000000 
1 1 1 21 0  71 o 11.462  6.8955 1.7383   2.2424  1.7383   2.2424  1.7383   2.2424  11.462  6.8955 11.462  6.8955 0.000000       0.000000 
1 1 1 21 1  0  o 38.768  7.5829 13.095   4.1042  13.095   4.1042  13.095   4.1042  38.768  7.5829 38.768  7.5829 0.000000       0.000000 
1 1 1 21 1  1  o 131.880 2.6379 136.526  5.4537  124.257  7.3420  151.628  8.1458  125.724 3.7251 138.880 3.7415 -13.15652      5.279702 
1 1 1 21 1  2  o 118.785 2.0936 110.699  3.8985  117.341  5.6509  104.666  5.3853  122.241 2.9488 115.448 2.9756 6.792740       4.189224 
1 1 1 21 1  3  o 220.128 2.6780 380.395  9.2413  384.350  14.499  377.689  11.993  221.028 4.1844 219.228 3.4897 1.800400       5.448555 
1 1 1 21 1  4  o 51.226  3.4671 20.715   2.7679  16.470   3.7634  25.717   4.0851  45.385  5.3952 56.966  4.6140 -11.58122      7.099113 
1 1 1 21 1  5  o 206.022 2.8500 333.280  9.2047  334.588  13.027  331.977  13.008  206.246 4.0290 205.438 4.0390 0.8081360      5.704959 
1 1 1 21 1  6  o 93.669  2.0867 68.837   3.0641  69.548   4.4157  68.177   4.2553  94.104  2.9932 93.176  2.9132 0.9274521      4.176876 
1 1 1 21 1  7  o 56.253  2.7777 24.846   2.4495  27.134   4.1605  23.633   3.0305  58.526  4.5709 54.719  3.5520 3.807045       5.788814 
1 1 1 21 1  8  o 31.352  3.9811 7.8551   1.9126  7.0994   2.7474  8.5657   2.6642  29.431  6.1527 32.524  5.4157 -3.092873      8.196694 
1 1 1 21 1  9  f 69.719  2.0213 38.136   2.2092  37.614   3.1101  38.667   3.1386  69.208  2.8666 70.171  2.8532 -0.9623489     4.044492 
1 1 1 21 1  10 o 84.822  1.9809 56.446   2.6341  54.784   3.4463  58.782   4.0849  83.534  2.6317 86.507  3.0122 -2.972771      3.999879 
1 1 1 21 1  11 o 147.799 1.6929 171.341  3.9224  163.120  5.6997  178.738  5.4060  144.149 2.5223 150.913 2.2851 -6.763626      3.403429 
1 1 1 21 1  12 o 99.664  1.6555 77.910   2.5865  78.013   3.9033  77.829   3.4537  99.688  2.4976 99.586  2.2122 0.1018372      3.336497 
1 1 1 21 1  13 o 75.710  1.6686 44.961   1.9804  43.099   2.7580  46.943   2.8456  74.100  2.3742 77.335  2.3472 -3.235069      3.338585 
1 1 1 21 1  14 o 74.985  1.6783 44.105   1.9729  43.021   2.7742  45.214   2.8063  74.029  2.3905 75.895  2.3587 -1.865578      3.358223 
1 1 1 21 1  15 o 13.177  4.8472 1.0824   1.3162  -0.1845  1.7918  2.5671   1.9398  12.076  5.2062 18.297  5.9244 -6.221395      7.886878 
1 1 1 21 1  16 o 48.825  2.0675 18.708   1.5825  17.896   2.2221  19.543   2.2542  47.630  2.9911 49.790  2.9006 -2.160057      4.166572 
1 1 1 21 1  17 o 61.613  1.8094 29.784   1.7477  30.056   2.4621  29.507   2.4811  61.866  2.5386 61.296  2.5820 0.5696030      3.620998 
1 1 1 21 1  18 o 11.487  4.6441 0.4396   1.2952  -0.8393  1.8609  1.6412   1.8038  11.333  5.0768 15.770  5.6935 -4.436836      7.628222 
1 1 1 21 1  19 o 44.638  2.1549 15.641   1.5079  17.637   2.1508  13.712   2.1147  47.282  2.9159 41.627  3.2668 5.654739       4.378905 
1 1 1 21 1  20 o 51.122  1.9545 20.511   1.5664  18.273   2.1866  22.871   2.2449  48.126  2.9119 53.953  2.6542 -5.826595      3.940046 
1 1 1 21 1  21 o 121.864 1.6228 116.516  3.1003  119.843  4.7312  114.013  4.1043  123.518 2.4434 120.503 2.1726 3.014778       3.269611 
1 1 1 21 1  22 o 49.627  2.1047 19.337   1.6374  19.310   2.2007  19.371   2.4509  49.477  2.8493 49.517  3.1740 -0.3992081E-01 4.265342 
1 1 1 21 1  23 f 78.828  1.6204 48.759   2.0025  45.995   2.7737  51.768   2.8940  76.519  2.3123 81.183  2.2739 -4.663216      3.243034 
1 1 1 21 1  24 o 66.843  1.7070 35.065   1.7887  32.439   2.4641  37.990   2.6006  64.249  2.4465 69.533  2.3858 -5.284286      3.417163 
1 1 1 21 1  25 o 73.869  1.6220 42.822   1.8783  41.678   2.6396  43.996   2.6733  72.830  2.3119 74.830  2.2788 -2.000023      3.246236 
1 1 1 21 1  26 o 22.282  3.8658 4.0307   1.3014  3.9153   1.8503  4.1436   1.8307  21.771  5.4374 22.397  5.2970 -0.6262360     7.591039 
1 1 1 21 1  27 o 59.110  1.7859 27.433   1.6549  25.340   2.2829  29.750   2.4024  56.761  2.5656 61.508  2.4915 -4.746815      3.576314 
1 1 1 21 1  28 o 101.292 1.5379 80.527   2.4420  79.174   3.4180  81.938   3.4901  100.372 2.1723 102.108 2.1804 -1.736191      3.077776 
1 1 1 21 1  29 o 81.532  1.5743 52.181   2.0121  50.249   2.8110  54.212   2.8815  79.948  2.2428 83.044  2.2134 -3.096092      3.151109 
1 1 1 21 1  30 o 158.514 1.5968 197.267  3.9680  199.500  5.6606  195.109  5.5640  159.279 2.2670 157.520 2.2532 1.759613       3.196245 
1 1 1 21 1  31 o 74.209  1.7053 43.249   1.9839  44.842   2.7308  41.468   2.8870  75.503  2.3071 72.580  2.5373 2.923027       3.429429 
1 1 1 21 1  32 o 62.970  1.7176 31.146   1.6955  31.430   2.3649  30.845   2.4322  63.196  2.3871 62.595  2.4786 0.6010170      3.441196 
1 1 1 21 1  33 o 84.656  1.6452 56.287   2.1834  60.788   3.0073  51.270   3.1753  87.908  2.1822 80.687  2.5103 7.220734       3.326177 
1 1 1 21 1  34 o 36.096  2.4330 10.306   1.3687  9.8839   1.9412  10.723   1.9301  35.159  3.5715 36.669  3.3962 -1.510174      4.928484 
1 1 1 21 1  35 o 79.423  1.5848 49.547   1.9732  46.335   2.7482  52.964   2.8349  76.720  2.2850 82.037  2.2043 -5.316666      3.174933 
1 1 1 21 1  36 f 44.074  2.0833 15.284   1.4394  15.500   2.0437  15.071   2.0277  44.202  2.9665 43.580  2.9860 0.6221313      4.209064 
1 1 1 21 1  37 o 53.400  1.8480 22.421   1.5470  23.349   2.1794  21.478   2.1963  54.417  2.5548 52.105  2.6981 2.312008       3.715708 
1 1 1 21 1  38 f 11.543  4.4767 0.6865   1.1577  -0.8058  1.6160  2.2599   1.6593  10.376  4.6822 16.943  5.4786 -6.567772      7.206857 
1 1 1 21 1  39 o 70.567  1.5636 39.128   1.7298  38.279   2.5249  39.878   2.3746  69.697  2.3109 71.166  2.1284 -1.469536      3.141709 
1 1 1 21 1  40 o 40.270  2.1255 12.806   1.3370  12.562   1.9393  13.028   1.8459  39.709  3.1410 40.484  2.9283 -0.7754326     4.294260 
1 1 1 21 1  41 o 49.316  1.7641 19.128   1.3638  20.708   2.1302  18.030   1.7754  51.133  2.6667 47.815  2.3686 3.318287       3.566714 
1 1 1 21 1  42 o 36.882  2.1814 10.757   1.2556  10.124   1.9044  11.244   1.6701  35.537  3.4624 37.595  2.8551 -2.058220      4.487685 
1 1 1 21 1  43 o 28.380  3.0472 6.4535   1.3345  8.7249   2.1725  5.0772   1.6912  32.734  4.3407 24.792  4.5177 7.941847       6.265088 
1 1 1 21 1  44 o 20.590  3.5443 3.4659   1.1028  3.4396   1.6359  3.4878   1.4930  20.236  5.1451 20.418  4.7534 -0.1814594     7.004771 
1 1 1 21 1  45 o 27.765  2.8070 6.1644   1.2050  4.3175   1.9553  7.2955   1.5301  22.589  5.5592 30.125  3.2936 -7.536709      6.461584 
1 1 1 21 1  46 o 23.448  3.1128 4.4398   1.1160  3.6258   1.7120  5.0411   1.4715  20.728  5.2600 24.820  3.9114 -4.092451      6.554929 
1 1 1 21 1  47 o 15.643  4.2328 2.0335   1.0632  3.3345   1.5453  0.8639   1.4652  19.894  4.9694 12.863  5.0229 7.030921       7.065775 
1 1 1 21 1  48 o 47.822  1.7606 18.011   1.3199  17.285   1.9236  18.657   1.8145  46.638  2.6419 48.577  2.3827 -1.939068      3.557638 
1 1 1 21 1  49 o 35.666  2.1532 10.082   1.1982  9.0933   1.7325  10.988   1.6591  33.602  3.3329 37.086  2.8762 -3.483879      4.402302 
1 1 1 21 1  50 o 34.669  2.1823 9.5361   1.1800  9.8959   1.7519  9.2374   1.5965  35.076  3.2220 33.930  3.0335 1.146610       4.425335 
1 1 1 21 1  51 o 63.489  1.5399 31.735   1.5327  30.861   2.2733  32.463   2.0753  62.434  2.3226 64.100  2.0652 -1.666214      3.108007 
1 1 1 21 1  52 o 32.531  2.4553 8.4414   1.2429  6.3789   1.9220  9.9240   1.6295  27.624  4.6000 35.149  2.9856 -7.525524      5.483951 
1 1 1 21 1  53 o 22.721  3.3493 4.2262   1.1572  4.0429   1.7653  4.3643   1.5324  21.667  5.2517 22.762  4.4541 -1.094183      6.886178 
1 1 1 21 1  54 o 32.740  2.5499 8.5783   1.2984  7.1072   1.9041  9.8569   1.7751  29.226  4.2831 34.883  3.2847 -5.657537      5.397618 
1 1 1 21 1  55 o 47.379  2.0885 17.789   1.5512  17.738   2.1721  17.841   2.2161  46.967  2.9653 47.082  3.0183 -0.1152840     4.231226 
1 1 1 21 1  56 o 43.414  2.6527 15.109   1.7968  15.670   2.3463  14.314   2.7940  43.890  3.4375 41.481  4.3619 2.409206       5.553641 
1 1 1 21 1  57 o 29.684  3.7932 7.2994   1.7248  9.9855   2.3317  4.0539   2.5631  34.484  4.4146 21.224  6.8036 13.26043       8.110304 
1 1 1 21 1  58 o 45.771  2.2677 16.691   1.6272  15.191   2.5440  17.730   2.1167  42.885  3.8241 46.854  2.8960 -3.968678      4.796977 
1 1 1 21 1  59 o 13.093  4.7579 1.2655   1.2626  2.1764   1.8105  0.4029   1.7617  16.284  5.7228 12.437  5.2553 3.847356       7.769750 
1 1 1 21 1  60 o 18.832  4.6575 3.1089   1.3673  3.5078   2.1418  2.8345   1.7765  19.646  6.2110 17.894  5.6566 1.751738       8.400811 
1 1 1 21 1  61 o 21.717  4.2532 4.0663   1.3962  3.8762   2.1663  4.2015   1.8260  20.471  6.2092 21.569  5.4099 -1.097876      8.235401 
1 1 1 21 1  62 o 20.098  4.5035 3.5404   1.3838  0.3109   2.4125  5.1239   1.6893  13.793  5.9936 24.225  4.6167 -10.43219      7.565511 
1 1 1 21 1  63 o 30.019  3.2862 7.4599   1.5212  4.7835   2.4022  9.2518   1.9655  22.385  6.4764 33.151  3.8540 -10.76670      7.536341 
1 1 1 21 1  64 o 50.369  2.1742 20.297   1.7168  21.846   2.4052  18.688   2.4512  51.723  2.9790 47.606  3.3050 4.116474       4.449380 
1 1 1 21 1  65 o 12.625  4.7228 1.1546   1.2595  2.4587   2.0789  0.3984   1.5831  16.880  6.1095 11.750  4.9743 5.130033       7.878465 
1 1 1 21 1  66 o 34.066  2.6759 9.4582   1.4175  9.1630   2.2366  9.6563   1.8326  32.426  4.5230 33.978  3.4899 -1.552311      5.712933 
1 1 1 21 1  67 o 9.9877  4.3567 -0.0110  1.2851  0.2531   1.5544  -0.5816  2.2843  11.329  4.8663 12.129  5.5109 -0.8006287     7.351941 
1 1 1 21 1  68 f 52.097  2.3841 21.934   1.9471  23.425   2.3823  18.933   3.3794  53.427  2.8546 46.256  4.7267 7.170792       5.521816 
1 1 1 21 1  69 o 13.089  5.1835 1.1755   1.5798  1.6048   1.8915  0.1852   2.8726  14.495  5.6935 14.053  6.3004 0.4425764      8.491870 
1 1 1 21 1  70 o 18.694  5.4279 3.3784   1.6847  2.3405   2.0384  5.6150   2.9923  16.027  6.0058 22.425  7.3636 -6.398392      9.502230 
1 1 1 21 2  0  o 191.996 2.7079 289.342  8.1467  289.342  8.1467  289.342  8.1467  191.996 2.7079 191.996 2.7079 0.000000       0.000000 
1 1 1 21 2  1  o 21.067  4.8951 3.6397   1.5858  -0.1429  2.2052  7.6913   2.2823  13.514  5.8002 30.862  4.8794 -17.34827      7.579686 
1 1 1 21 2  2  o 68.639  2.2094 36.974   2.3774  33.290   3.3095  40.903   3.4174  65.083  3.2437 72.155  3.0212 -7.072174      4.432713 
1 1 1 21 2  3  o 202.001 1.9867 320.159  6.2912  310.685  8.6937  330.573  9.1154  198.893 2.7882 205.154 2.8343 -6.260468      3.975874 
1 1 1 21 2  4  o 75.263  1.8055 44.438   2.1303  44.953   2.9008  43.834   3.1386  75.672  2.4453 74.713  2.6797 0.9592209      3.627701 
1 1 1 21 2  5  o 106.662 1.5900 89.233   2.6586  90.833   3.7873  87.679   3.7330  107.579 2.2457 105.694 2.2530 1.884712       3.181038 
1 1 1 21 2  6  o 71.011  1.7359 39.557   1.9324  38.206   2.7033  40.969   2.7635  69.760  2.4719 72.240  2.4402 -2.480133      3.473476 
1 1 1 21 2  7  f 77.659  1.6977 47.309   2.0669  48.166   2.9508  46.483   2.8960  78.329  2.4031 76.949  2.4007 1.380531       3.396791 
1 1 1 21 2  8  o 156.506 1.5452 192.118  3.7912  190.848  5.6195  193.178  5.1361  155.927 2.2989 156.896 2.0882 -0.9687958     3.105722 
1 1 1 21 2  9  o 128.312 1.4880 129.129  2.9932  132.594  4.4657  126.302  4.0333  129.976 2.1916 126.866 2.0280 3.109360       2.985979 
1 1 1 21 2  10 o 120.622 1.4159 114.110  2.6774  112.025  3.7491  116.279  3.8249  119.481 2.0016 121.728 2.0044 -2.246880      2.832638 
1 1 1 21 2  11 o 58.132  1.7223 26.511   1.5695  27.977   2.2666  25.161   2.1755  59.692  2.4222 56.607  2.4515 3.085224       3.446278 
1 1 1 21 2  12 o 62.065  1.6897 30.220   1.6440  30.781   2.3326  29.665   2.3175  62.613  2.3764 61.466  2.4051 1.146664       3.381055 
1 1 1 21 2  13 o 134.729 1.4274 142.371  3.0149  135.396  4.1494  150.170  4.3879  131.346 2.0152 138.326 2.0235 -6.980118      2.855775 
1 1 1 21 2  14 o 48.904  1.8883 18.767   1.4476  15.017   1.9909  22.975   2.1087  43.613  2.9289 54.086  2.4870 -10.47369      3.842363 
1 1 1 21 2  15 o 95.168  1.4176 71.039   2.1149  72.754   2.9968  69.338   2.9851  96.279  1.9855 93.988  2.0260 2.290337       2.836679 
1 1 1 21 2  16 o 69.967  1.5419 38.403   1.6912  39.492   2.3911  37.313   2.3925  70.924  2.1505 68.936  2.2139 1.988449       3.086422 
1 1 1 21 2  17 o 20.659  3.9761 3.4772   1.2410  1.9411   1.7184  5.1515   1.7940  16.329  5.5838 25.132  4.7271 -8.803446      7.316000 
1 1 1 21 2  18 o 19.396  4.1835 3.0820   1.2347  2.9140   1.8572  3.2150   1.6528  19.076  5.7411 19.798  5.2425 -0.7220860     7.774535 
1 1 1 21 2  19 o 43.800  1.9663 15.061   1.3501  17.332   1.9000  12.745   1.9188  46.888  2.5949 40.131  3.0734 6.757286       4.022416 
1 1 1 21 2  20 o 52.478  1.8368 21.617   1.5111  21.263   2.0542  22.035   2.2308  52.013  2.5193 52.871  2.7005 -0.8574791     3.693165 
1 1 1 21 2  21 o 49.106  1.8431 18.930   1.4188  16.801   1.9474  21.339   2.0714  46.143  2.7039 52.101  2.5361 -5.957756      3.707149 
1 1 1 21 2  22 o 61.003  1.6502 29.207   1.5781  27.801   2.2158  30.655   2.2481  59.475  2.3766 62.459  2.2960 -2.983494      3.304459 
1 1 1 21 2  23 o 54.667  1.7206 23.460   1.4745  23.699   2.1083  23.231   2.0630  54.903  2.4496 54.361  2.4208 0.5427780      3.443958 
1 1 1 21 2  24 o 67.040  1.5478 35.273   1.6267  32.947   2.2910  37.637   2.3101  64.746  2.2572 69.211  2.1291 -4.465332      3.102880 
1 1 1 21 2  25 o 50.628  1.7782 20.126   1.4113  17.623   1.9238  23.043   2.0767  47.256  2.6069 54.129  2.4473 -6.873230      3.575662 
1 1 1 21 2  26 o 86.055  1.4318 58.118   1.9315  60.225   2.7626  56.103   2.7016  87.550  2.0128 84.498  2.0395 3.051971       2.865497 
1 1 1 21 2  27 f 49.808  1.7628 19.483   1.3764  19.631   1.9672  19.342   1.9265  49.882  2.5239 49.579  2.4787 0.3030434      3.537517 
1 1 1 21 2  28 o 39.301  2.0870 12.176   1.2812  11.914   1.7891  12.452   1.8356  38.761  2.9669 39.630  2.9763 -0.8690796     4.202511 
1 1 1 21 2  29 o 92.219  1.4114 66.753   2.0404  63.174   2.8081  70.757   2.9698  89.650  1.9981 94.878  1.9967 -5.228127      2.824717 
1 1 1 21 2  30 o 53.203  1.7026 22.234   1.4200  24.493   2.0363  20.095   1.9813  55.789  2.3284 50.516  2.5019 5.272179       3.417683 
1 1 1 21 2  31 o 64.366  1.5857 32.537   1.6001  34.188   2.2211  30.755   2.3071  65.925  2.1491 62.506  2.3544 3.418941       3.187775 
1 1 1 21 2  32 o 108.728 1.3950 92.809   2.3778  93.524   3.3526  92.085   3.3728  109.062 1.9609 108.215 1.9882 0.8467102      2.792469 
1 1 1 21 2  33 o 94.526  1.4132 70.156   2.0941  72.440   2.9511  67.840   2.9720  95.977  1.9614 92.867  2.0414 3.110039       2.830995 
1 1 1 21 2  34 o 87.478  1.4457 60.094   1.9825  58.974   2.9832  60.979   2.6532  86.553  2.1986 88.057  1.9220 -1.504089      2.920261 
1 1 1 21 2  35 o 86.840  1.3686 59.214   1.8631  57.902   2.6969  60.411   2.5770  85.787  2.0053 87.646  1.8755 -1.859482      2.745710 
1 1 1 21 2  36 o 33.169  2.2637 8.7064   1.1700  6.2598   1.6401  11.242   1.6696  27.803  3.8678 37.616  2.8526 -9.813225      4.805956 
1 1 1 21 2  37 o 29.173  2.5631 6.7663   1.1603  6.5195   1.7048  6.9793   1.5838  28.358  3.9414 29.457  3.4980 -1.099314      5.269814 
1 1 1 21 2  38 o 29.897  2.4043 7.0941   1.1173  5.9889   1.5640  8.2460   1.5967  27.189  3.7709 32.103  3.2160 -4.913618      4.956053 
1 1 1 21 2  39 o 74.310  1.4262 43.381   1.6614  44.660   2.4202  42.240   2.2847  75.307  2.0501 73.249  1.9897 2.058647       2.856851 
1 1 1 21 2  40 o 44.734  1.8513 15.748   1.2983  14.411   1.8321  17.096   1.8401  42.605  2.7578 46.463  2.5359 -3.857895      3.746516 
1 1 1 21 2  41 o 59.080  1.5702 27.440   1.4543  26.554   2.0843  28.280   2.0302  58.022  2.2915 59.899  2.1620 -1.877007      3.150460 
1 1 1 21 2  42 o 65.576  1.5738 33.811   1.6179  33.164   2.2366  34.522   2.3433  64.850  2.2000 66.153  2.2596 -1.303345      3.153670 
1 1 1 21 2  43 f 92.070  1.3785 66.609   1.9897  66.706   2.8734  66.520   2.7579  92.013  1.9920 91.902  1.9143 0.1104736      2.762697 
1 1 1 21 2  44 o 41.691  1.9117 13.692   1.2495  14.745   1.8335  12.779   1.7072  43.069  2.7298 40.083  2.7332 2.986153       3.862912 
1 1 1 21 2  45 o 27.211  2.8063 5.9300   1.1799  5.1800   1.6135  6.7921   1.7299  25.059  4.2598 28.871  3.9237 -3.811901      5.791479 
1 1 1 21 2  46 o 65.501  1.5049 33.746   1.5453  34.714   2.2515  32.883   2.1247  66.312  2.1658 64.553  2.0996 1.758614       3.016470 
1 1 1 21 2  47 o 24.588  2.8951 4.8664   1.0945  4.7121   1.5399  5.0240   1.5560  23.835  4.2785 24.660  4.1740 -0.8241444     5.977244 
1 1 1 21 2  48 o 14.701  4.3405 1.7803   1.0693  3.6830   1.5712  0.1387   1.4594  20.855  4.8904 11.261  4.7721 9.594423       6.832950 
1 1 1 21 2  49 o 89.972  1.4412 63.695   2.0328  63.495   3.0769  63.849   2.7079  89.608  2.1903 89.949  1.9204 -0.3405075     2.912982 
1 1 1 21 2  50 o 11.251  4.4075 0.6526   1.1309  1.5569   1.6535  -0.1421  1.5501  14.876  5.4388 11.041  4.8009 3.835600       7.254641 
1 1 1 21 2  51 o 23.354  3.4069 4.4644   1.2106  3.2263   1.5962  6.1406   1.8573  19.402  5.1589 27.086  4.5342 -7.684828      6.868269 
1 1 1 21 2  52 o 18.820  4.3028 3.0001   1.2418  3.3542   1.8291  2.6973   1.6914  19.699  5.6373 17.852  5.5005 1.846972       7.876149 
1 1 1 21 2  53 o 30.614  2.6545 7.5259   1.2614  9.4598   1.7618  5.4924   1.8067  34.128  3.3357 25.444  4.7026 8.684147       5.765569 
1 1 1 21 2  54 o 28.573  2.9270 6.6074   1.2926  5.8331   1.8454  7.3531   1.8110  26.207  4.6627 29.782  3.9783 -3.575577      6.129251 
1 1 1 21 2  55 o 46.565  1.8775 17.167   1.3706  17.719   1.9731  16.653   1.9052  46.990  2.6897 45.553  2.6797 1.436829       3.796691 
1 1 1 21 2  56 o 26.126  3.0008 5.5646   1.2068  6.9788   1.7454  4.2694   1.6703  28.920  3.9532 22.138  4.9385 6.782711       6.325892 
1 1 1 21 2  57 o 17.434  4.2166 2.6168   1.1398  2.0913   1.6703  3.0749   1.5593  15.945  5.5027 18.675  5.1565 -2.730552      7.541192 
1 1 1 21 2  58 o 10.673  4.5097 0.2389   1.2972  1.0169   1.9970  -0.3290  1.7061  14.095  5.7417 11.055  4.9126 3.040371       7.556526 
1 1 1 21 2  59 o 12.566  4.9938 0.8894   1.4711  0.9065   2.1228  0.8735   2.0405  14.122  5.8535 13.884  5.7456 0.2377930      8.202177 
1 1 1 21 2  60 o 54.171  1.9894 23.366   1.6895  23.386   2.5418  23.350   2.2613  53.564  3.0395 53.811  2.6806 -0.2474136     4.052678 
1 1 1 21 2  61 o 68.382  1.7891 37.145   1.9179  39.679   2.9337  35.254   2.5345  70.110  2.6692 66.242  2.4406 3.867493       3.616822 
1 1 1 21 2  62 o 64.962  1.9080 33.602   1.9431  33.612   3.1564  33.596   2.4656  64.124  3.1399 64.642  2.4331 -0.5173416     3.972305 
1 1 1 21 2  63 o 10.495  4.5329 0.0843   1.3633  -2.3332  2.0281  2.0775   1.8415  9.7057  4.6513 15.814  5.7461 -6.108272      7.392759 
1 1 1 21 2  64 o 43.792  2.5122 15.521   1.7174  17.478   2.5404  13.874   2.3307  45.763  3.5693 40.657  3.6973 5.106461       5.139037 
1 1 1 21 2  65 o 41.813  2.5192 14.177   1.6436  15.511   2.4595  13.101   2.2094  42.945  3.6891 39.507  3.6071 3.438072       5.159549 
1 1 1 21 2  66 f 20.503  4.5730 3.7679   1.4324  5.2742   2.5805  3.0970   1.7221  22.882  6.7390 18.202  5.5396 4.680489       8.723595 
1 1 1 21 2  67 o 10.220  4.5128 -0.1031  1.4174  1.0824   2.4884  -0.6725  1.7246  14.610  6.2131 10.368  4.7407 4.242238       7.815183 
1 1 1 21 2  68 o 27.551  3.3278 6.4223   1.4082  7.6736   2.2285  5.5904   1.8169  28.824  5.1193 24.696  4.8661 4.127722       7.063000 
1 1 1 21 2  69 o 21.035  4.8491 4.1309   1.5663  4.1805   2.2457  4.0839   2.1857  20.093  6.3607 19.926  6.2714 0.1666164      8.932491 
1 1 1 21 3  0  o 114.075 2.0144 102.152  3.5999  102.152  3.5999  102.152  3.5999  114.075 2.0144 114.075 2.0144 0.000000       0.000000 
1 1 1 21 3  1  o 82.624  1.4976 53.548   1.9397  52.011   2.7158  55.148   2.7715  81.400  2.1282 83.820  2.1092 -2.419640      2.996296 
1 1 1 21 3  2  o 10.945  4.4757 0.3282   1.2193  0.7732   1.7775  -0.0672  1.6757  13.779  5.4851 11.855  5.0712 1.923918       7.470179 
1 1 1 21 3  3  o 112.799 1.4292 99.798   2.5272  96.394   3.5264  103.392  3.6237  110.823 2.0298 114.776 2.0139 -3.953583      2.859367 
1 1 1 21 3  4  o 128.844 1.4419 130.210  2.9123  130.327  4.1427  130.096  4.0950  128.858 2.0508 128.746 2.0289 0.1123962      2.884848 
1 1 1 21 3  5  o 192.018 1.6598 289.266  4.9963  289.622  7.3521  288.960  6.8106  192.036 2.4422 191.843 2.2646 0.1936493      3.330546 
1 1 1 21 3  6  o 49.968  2.1147 19.600   1.6566  20.568   2.3808  18.692   2.3064  51.063  2.9872 48.665  3.0384 2.398117       4.260885 
1 1 1 21 3  7  o 131.469 1.5558 135.589  3.2064  139.923  4.6208  131.564  4.4530  133.499 2.2079 129.451 2.1943 4.047516       3.112858 
1 1 1 21 3  8  o 73.728  1.6592 42.648   1.9177  39.730   2.6632  45.791   2.7637  71.125  2.3885 76.363  2.3086 -5.237915      3.321882 
1 1 1 21 3  9  o 56.752  2.0284 25.282   1.8046  22.570   2.3689  29.033   2.7858  53.510  2.8340 60.770  2.9242 -7.259304      4.072187 
1 1 1 21 3  10 o 139.314 1.6613 152.281  3.6283  155.420  4.9193  148.536  5.3732  140.686 2.2305 137.504 2.4927 3.181702       3.344895 
1 1 1 21 3  11 o 142.016 1.6783 158.252  3.7364  158.546  5.0400  157.894  5.5673  142.087 2.2627 141.764 2.5051 0.3226471      3.375691 
1 1 1 21 3  12 o 66.423  1.8888 34.630   1.9668  30.877   2.5797  39.840   3.0393  62.681  2.6253 71.191  2.7233 -8.510677      3.782679 
1 1 1 21 3  13 o 126.801 1.5705 126.153  3.1218  121.756  4.3463  130.838  4.4868  124.511 2.2267 129.072 2.2175 -4.561584      3.142483 
1 1 1 21 3  14 o 45.406  2.2211 16.193   1.5810  16.463   2.2626  15.936   2.2100  45.625  3.1834 44.887  3.1608 0.7376823      4.486063 
1 1 1 21 3  15 o 60.596  1.7865 28.821   1.6971  33.957   2.6165  25.091   2.2297  65.729  2.5393 56.501  2.5173 9.227875       3.575543 
1 1 1 21 3  16 o 103.882 1.4833 84.670   2.4155  84.769   3.5949  84.589   3.2615  103.881 2.2075 103.790 2.0045 0.9056091E-01  2.981783 
1 1 1 21 3  17 o 80.048  1.6585 50.289   2.0812  50.212   3.3826  50.337   2.6401  79.901  2.7005 80.054  2.1037 -0.1524277     3.423179 
1 1 1 21 3  18 o 113.942 1.4066 101.861  2.5125  107.083  3.6533  97.174   3.4610  116.769 1.9957 111.237 1.9847 5.532242       2.814626 
1 1 1 21 3  19 o 91.462  1.4179 65.638   2.0330  66.937   2.9120  64.402   2.8395  92.315  2.0122 90.552  2.0003 1.763329       2.837255 
1 1 1 21 3  20 o 96.968  1.5512 73.797   2.3581  74.534   3.3508  73.075   3.3191  97.388  2.1948 96.430  2.1956 0.9579010      3.104440 
1 1 1 21 3  21 o 9.5181  4.0981 -0.0967  1.1073  0.4042   1.5608  -0.6043  1.5711  12.301  5.0508 10.547  4.6991 1.753651       6.898712 
1 1 1 21 3  22 o 57.184  1.6836 25.674   1.5093  25.992   2.1010  25.335   2.1695  57.493  2.3311 56.753  2.4385 0.7396088      3.373458 
1 1 1 21 3  23 o 115.219 1.4679 104.195  2.6513  103.732  3.5790  104.758  3.9469  114.899 1.9870 115.437 2.1810 -0.5376053     2.950432 
1 1 1 21 3  24 o 76.978  1.4849 46.513   1.7919  46.412   2.5180  46.618   2.5506  76.840  2.0903 77.008  2.1128 -0.1682968     2.972105 
1 1 1 21 3  25 o 79.591  1.4531 49.725   1.8130  49.309   2.5381  50.159   2.5907  79.202  2.0442 79.879  2.0689 -0.6767044     2.908454 
1 1 1 21 3  26 o 40.705  2.0073 13.025   1.2809  11.338   1.7455  14.993   1.8856  37.799  2.9695 43.529  2.7778 -5.729641      4.066193 
1 1 1 21 3  27 o 61.897  1.5228 30.082   1.4776  29.872   2.1505  30.271   2.0336  61.619  2.2263 62.043  2.0908 -0.4237289     3.054169 
1 1 1 21 3  28 o 46.756  1.7551 17.177   1.2864  17.054   1.8733  17.286   1.7697  46.453  2.5826 46.792  2.4208 -0.3387108     3.539802 
1 1 1 21 3  29 o 9.5174  4.0193 0.0684   1.0296  0.0510   1.4676  0.0854   1.4447  11.240  4.7756 11.223  4.7515 0.1776123E-01  6.736697 
1 1 1 21 3  30 o 83.713  1.3939 55.022   1.8293  54.491   2.6679  55.492   2.5130  83.229  2.0448 84.010  1.9081 -0.7808914     2.796775 
1 1 1 21 3  31 o 63.685  1.5049 31.855   1.5024  31.592   2.1645  32.099   2.0871  63.351  2.1794 63.869  2.0845 -0.5179672     3.015811 
1 1 1 21 3  32 o 34.193  2.3206 9.2523   1.2366  11.185   1.7413  7.2861   1.7563  37.503  2.9865 30.055  3.8135 7.448277       4.843760 
1 1 1 21 3  33 o 43.173  1.9541 14.664   1.3226  12.279   1.7952  17.496   1.9558  39.307  2.9345 47.009  2.6650 -7.701290      3.964007 
1 1 1 21 3  34 o 91.811  1.4358 66.209   2.0666  67.657   3.1545  65.121   2.7353  92.685  2.1711 90.979  1.9178 1.706284       2.896821 
1 1 1 21 3  35 o 52.234  1.6793 21.450   1.3751  19.847   1.9471  23.045   1.9424  50.157  2.4763 54.072  2.2914 -3.914860      3.373850 
1 1 1 21 3  36 o 50.613  1.7034 20.143   1.3515  18.367   1.9162  21.901   1.9065  48.170  2.5466 52.705  2.3075 -4.535065      3.436498 
1 1 1 21 3  37 o 59.471  1.5654 27.800   1.4594  25.679   2.0649  29.916   2.0629  57.064  2.3083 61.619  2.1355 -4.554794      3.144615 
1 1 1 21 3  38 o 14.935  4.3436 1.8244   1.0780  2.8086   1.5640  0.9336   1.4880  18.382  5.1962 13.134  5.0804 5.248547       7.267121 
1 1 1 21 3  39 o 27.808  2.6810 6.1698   1.1543  7.5307   1.6845  4.9652   1.5848  30.557  3.5846 24.563  4.2707 5.993744       5.575680 
1 1 1 21 3  40 o 17.260  4.0865 2.4780   1.0886  2.8268   1.5712  2.1560   1.5098  18.417  5.2090 16.403  5.2179 2.014599       7.372890 
1 1 1 21 3  41 o 92.232  1.3348 66.837   1.9300  65.963   2.6967  67.755   2.7634  91.521  1.8796 92.750  1.9006 -1.229439      2.673020 
1 1 1 21 3  42 o 71.972  1.4990 40.730   1.6913  39.001   2.4551  42.291   2.3332  70.295  2.2279 73.243  2.0320 -2.947464      3.015415 
1 1 1 21 3  43 o 16.774  4.1797 2.3488   1.0951  1.2967   1.5357  3.4376   1.5622  14.086  5.2257 20.192  4.9689 -6.105721      7.210941 
1 1 1 21 3  44 o 33.900  2.3776 9.1298   1.2555  9.4242   1.9187  8.9094   1.6604  34.145  3.6405 33.300  3.2209 0.8447838      4.860809 
1 1 1 21 3  45 o 43.966  2.0267 15.253   1.3969  13.759   2.0170  16.630   1.9364  41.454  3.1268 45.709  2.7145 -4.254799      4.140708 
1 1 1 21 3  46 o 53.645  1.8797 22.696   1.5808  22.176   2.2479  23.205   2.2235  52.782  2.7259 54.088  2.6223 -1.305332      3.782500 
1 1 1 21 3  47 o 12.569  4.6717 1.0275   1.2284  1.1601   1.6494  0.8624   1.8409  13.956  5.3623 13.814  5.5536 0.1423559      7.719902 
1 1 1 21 3  48 o 55.230  1.9250 24.085   1.6667  24.132   2.2544  24.029   2.4753  55.117  2.6091 54.845  2.8892 0.2720604      3.892896 
1 1 1 21 3  49 o 11.020  4.4335 0.5103   1.1742  2.3900   1.6743  -1.3089  1.6471  17.035  5.5028 9.7011  4.5057 7.334087       7.112138 
1 1 1 21 3  50 o 23.580  3.3047 4.5455   1.1881  3.7907   1.7373  5.2086   1.6283  20.945  5.2897 24.942  4.3210 -3.996874      6.830226 
1 1 1 21 3  51 o 17.193  4.3247 2.5130   1.1646  4.4008   1.9159  1.4067   1.4666  22.469  5.4866 14.041  5.1240 8.428555       7.507190 
1 1 1 21 3  52 o 30.024  2.5134 7.2300   1.1721  5.7819   1.6941  8.5599   1.6234  26.255  4.2621 32.458  3.2335 -6.203161      5.349837 
1 1 1 21 3  53 o 28.226  2.7852 6.4384   1.2163  7.1052   1.9039  5.9786   1.5811  29.095  4.3040 26.817  3.8731 2.278021       5.790108 
1 1 1 21 3  54 o 51.346  1.7677 20.861   1.4228  23.584   2.1111  18.594   1.9261  54.348  2.4778 48.164  2.5601 6.183681       3.562793 
1 1 1 21 3  55 o 25.905  2.9089 5.4678   1.1609  4.3569   1.6297  6.6122   1.6541  22.384  4.7891 28.147  3.8497 -5.762260      6.144580 
1 1 1 21 3  56 o 32.947  2.3477 8.7147   1.2046  8.6206   1.7129  8.8068   1.6944  32.340  3.4311 32.728  3.3497 -0.3878441     4.795090 
1 1 1 21 3  57 o 51.442  1.8326 21.004   1.4779  18.442   2.1593  23.261   2.0269  47.676  2.9030 53.896  2.3990 -6.220352      3.765944 
1 1 1 21 3  58 o 25.647  3.1354 5.4261   1.2344  5.2318   1.8314  5.5878   1.6709  24.321  4.9714 25.486  4.3375 -1.165325      6.597620 
1 1 1 21 3  59 o 50.398  2.0849 20.270   1.6473  22.209   2.2541  18.048   2.4132  52.340  2.7569 46.827  3.3087 5.512909       4.306688 
1 1 1 21 3  60 o 13.661  4.8523 1.4881   1.3048  0.7759   1.7438  2.3939   1.9668  12.908  5.3240 16.704  5.9548 -3.795101      7.987731 
1 1 1 21 3  61 f 23.074  3.7842 4.5332   1.3213  2.1996   1.9415  6.5465   1.8034  16.194  5.8977 27.518  4.3228 -11.32394      7.312292 
1 1 1 21 3  62 o 37.234  2.5757 11.249   1.4942  10.332   2.0464  12.297   2.1869  34.995  3.7907 38.273  3.6907 -3.277615      5.290608 
1 1 1 21 3  63 o 12.983  4.8360 1.2617   1.3178  1.6987   1.8673  0.8281   1.8601  14.911  5.7111 13.180  5.4725 1.731233       7.909809 
1 1 1 21 3  64 o 18.172  4.3857 2.9411   1.2351  4.1855   1.9058  2.0401   1.6217  21.059  5.6540 15.372  5.4150 5.686341       7.828799 
1 1 1 21 3  65 o 37.583  2.3920 11.457   1.4020  12.792   2.1925  10.534   1.8235  38.888  3.6386 35.487  3.3162 3.400806       4.923083 
1 1 1 21 3  66 o 37.305  2.8487 11.482   1.6534  10.774   2.4016  12.120   2.2796  34.887  4.4959 37.511  3.9351 -2.623970      5.974828 
1 1 1 21 3  67 o 11.388  4.8913 0.3610   1.5703  -1.0758  2.5297  1.2615   2.0028  11.945  5.5598 13.910  5.7177 -1.965031      7.975196 
1 1 1 21 4  0  f 24.096  5.2768 5.1709   1.7452  5.1709   1.7452  5.1709   1.7452  24.096  5.2768 24.096  5.2768 0.000000       0.000000 
1 1 1 21 4  1  o 13.879  4.7006 1.4138   1.2177  1.3917   1.7500  1.4345   1.6954  15.036  5.5785 15.008  5.5043 0.2801228E-01  7.836884 
1 1 1 21 4  2  o 129.645 1.4244 131.856  2.8950  130.414  4.0807  133.317  4.1077  128.880 2.0197 130.308 2.0108 -1.427612      2.850037 
1 1 1 21 4  3  o 11.049  4.4926 0.3770   1.2198  -0.8442  1.7274  1.5913   1.7226  10.814  4.8643 15.447  5.5659 -4.632614      7.391927 
1 1 1 21 4  4  o 135.417 1.4433 143.863  3.0640  141.309  4.3132  146.464  4.3533  134.150 2.0509 136.577 2.0332 -2.427261      2.887976 
1 1 1 21 4  5  o 14.766  4.7803 1.6726   1.2629  1.3835   1.7127  2.0171   1.8697  14.924  5.5223 16.776  5.8202 -1.851988      8.023079 
1 1 1 21 4  6  o 73.300  1.6401 42.163   1.8846  41.923   2.7975  42.363   2.5502  73.039  2.4432 73.438  2.2151 -0.3986893     3.297893 
1 1 1 21 4  7  o 146.635 1.4641 168.698  3.3657  171.312  4.8046  166.178  4.7161  147.698 2.0751 145.469 2.0681 2.229050       2.929640 
1 1 1 21 4  8  o 83.881  1.5415 55.209   2.0270  56.477   3.0177  54.168   2.7361  84.786  2.2704 83.048  2.1016 1.737755       3.093743 
1 1 1 21 4  9  o 114.492 1.4867 102.852  2.6683  105.122  3.6639  100.287  3.8937  115.699 2.0200 112.988 2.1983 2.711617       2.985451 
1 1 1 21 4  10 o 97.140  1.4952 74.041   2.2769  74.485   3.1030  73.523   3.3514  97.387  2.0325 96.740  2.2099 0.6474838      3.002447 
1 1 1 21 4  11 o 114.809 1.4108 103.416  2.5391  104.693  3.6221  102.182  3.5604  115.459 2.0011 114.067 1.9911 1.391937       2.822915 
1 1 1 21 4  12 o 134.017 1.4913 140.937  3.1331  135.979  4.5124  145.552  4.3535  131.555 2.1880 136.129 2.0400 -4.573242      2.991500 
1 1 1 21 4  13 o 46.189  2.0373 16.758   1.4752  16.082   2.2026  17.308   1.9866  45.075  3.1367 46.824  2.7180 -1.749706      4.150431 
1 1 1 21 4  14 o 103.540 1.5377 84.137   2.4960  81.011   3.4385  87.618   3.6289  101.537 2.1602 105.593 2.1922 -4.055649      3.077689 
1 1 1 21 4  15 f 45.204  2.2338 16.061   1.5830  11.604   2.0562  22.547   2.4803  38.196  3.4719 53.422  2.9735 -15.22605      4.571150 
1 1 1 21 4  16 f 18.782  4.7712 2.9078   1.4076  1.8049   1.7627  4.8485   2.3382  16.018  5.6452 24.155  6.1567 -8.137037      8.353019 
1 1 1 21 4  17 o 79.527  1.8015 49.669   2.2460  49.913   2.8382  49.260   3.6739  79.677  2.2722 79.070  2.9638 0.6070099      3.734620 
1 1 1 21 4  18 o 112.107 1.7224 98.691   3.0271  105.556  3.9710  89.168   4.6771  115.876 2.1860 106.402 2.8040 9.474808       3.555398 
1 1 1 21 4  19 o 65.163  1.8168 33.354   1.8559  35.958   2.4831  30.057   2.7935  67.613  2.3427 61.761  2.8852 5.851971       3.716560 
1 1 1 21 4  20 o 8.2141  3.8545 -1.3002  1.2572  -2.2514  1.7424  -0.2674  1.8157  9.1836  4.3765 11.959  5.1981 -2.775614      6.795174 
1 1 1 21 4  21 o 104.954 1.6640 86.508   2.7379  84.939   3.6203  88.605   4.1846  103.921 2.2222 106.088 2.5162 -2.167618      3.356981 
1 1 1 21 4  22 o 53.803  2.0510 22.759   1.7299  23.098   2.3161  22.330   2.6016  54.070  2.7413 53.095  3.1395 0.9747620      4.167931 
1 1 1 21 4  23 o 63.122  1.7860 31.306   1.7673  32.933   2.5187  29.727   2.4805  64.670  2.4844 61.431  2.5758 3.238529       3.578650 
1 1 1 21 4  24 o 33.571  2.4400 8.9210   1.2753  12.159   1.9778  6.6164   1.6685  39.092  3.2570 28.649  3.8095 10.44326       5.011999 
1 1 1 21 4  25 o 90.482  1.5231 64.293   2.1604  65.018   3.1745  63.667   2.9485  90.893  2.2279 89.965  2.0906 0.9275894      3.055158 
1 1 1 21 4  26 o 61.047  1.7257 29.285   1.6515  27.433   2.4071  30.931   2.2701  58.991  2.6030 62.677  2.3104 -3.686817      3.480402 
1 1 1 21 4  27 o 49.017  1.9317 18.895   1.4844  20.039   2.1749  17.897   2.0309  50.319  2.7678 47.550  2.7360 2.769115       3.891831 
1 1 1 21 4  28 o 73.855  1.5119 42.844   1.7505  42.311   2.4372  43.411   2.5157  73.320  2.1204 74.261  2.1610 -0.9409790     3.027535 
1 1 1 21 4  29 o 8.3663  3.8018 -0.6449  1.0876  -0.0360  1.5141  -1.2940  1.5633  11.234  4.8135 9.5113  4.4077 1.722248       6.526667 
1 1 1 21 4  30 o 45.935  1.8840 16.597   1.3567  13.453   1.8289  20.444   2.0229  41.167  2.8515 50.909  2.5347 -9.742119      3.815231 
1 1 1 21 4  31 o 42.698  1.9714 14.347   1.3196  13.178   1.8150  15.659   1.9220  40.733  2.8605 44.436  2.7729 -3.703175      3.983878 
1 1 1 21 4  32 o 99.843  1.4832 78.321   2.3216  76.667   3.0942  80.453   3.5116  98.688  2.0000 101.047 2.2168 -2.357986      2.985683 
1 1 1 21 4  33 o 65.399  1.5838 33.618   1.6238  33.802   2.1046  33.348   2.5525  65.517  2.0491 65.001  2.5049 0.5153961      3.236276 
1 1 1 21 4  34 o 10.626  4.2009 0.5107   1.0360  0.0412   1.3838  1.1095   1.5627  10.869  4.6279 13.757  5.2352 -2.888470      6.987463 
1 1 1 21 4  35 o 47.234  1.7865 17.554   1.3228  15.615   1.7510  20.131   2.0189  44.395  2.5265 50.418  2.5627 -6.023750      3.598706 
1 1 1 21 4  36 o 90.061  1.3918 63.729   1.9651  63.860   2.6506  63.568   2.9281  90.067  1.8773 89.816  2.0796 0.2503052      2.801614 
1 1 1 21 4  37 o 53.291  1.6874 22.341   1.4097  22.945   1.9083  21.615   2.0914  53.930  2.2572 52.297  2.5510 1.633259       3.406243 
1 1 1 21 4  38 o 10.758  4.2741 0.5102   1.0772  -0.3779  1.4501  1.6040   1.6092  10.349  4.5673 15.045  5.3839 -4.695504      7.060256 
1 1 1 21 4  39 o 49.560  1.7507 19.334   1.3602  21.735   1.9992  17.264   1.8560  52.446  2.4316 46.656  2.5472 5.790100       3.521450 
1 1 1 21 4  40 o 13.822  4.5738 1.4799   1.1536  -0.2181  1.6331  3.1711   1.6298  11.280  4.9162 19.402  5.2367 -8.121878      7.182738 
1 1 1 21 4  41 o 67.613  1.7780 36.004   1.8845  34.318   2.4890  38.269   2.8848  65.880  2.4100 69.506  2.6476 -3.626511      3.580193 
1 1 1 21 4  42 o 96.493  1.6471 73.297   2.4915  73.460   3.3994  73.107   3.6623  96.422  2.2489 96.126  2.4303 0.2962570      3.311214 
1 1 1 21 4  43 o 51.151  2.0225 20.649   1.6218  21.181   2.1469  19.941   2.4752  51.612  2.6625 49.921  3.1793 1.690754       4.146907 
1 1 1 21 4  44 o 31.968  2.8095 8.1821   1.3937  8.7958   1.8802  7.4337   2.0764  32.907  3.7095 29.944  4.5679 2.963001       5.884356 
1 1 1 21 4  45 o 37.345  2.2424 11.074   1.3067  9.6131   1.9254  12.321   1.7792  34.422  3.6225 39.232  2.9137 -4.809887      4.648872 
1 1 1 21 4  46 o 35.344  2.2902 9.9348   1.2621  8.0642   1.8518  11.557   1.7248  31.401  3.8419 37.969  2.9200 -6.567806      4.825658 
1 1 1 21 4  47 o 12.095  4.4561 0.9797   1.1130  0.1636   1.5999  1.7450   1.5493  11.726  4.9842 15.134  5.2953 -3.407830      7.272036 
1 1 1 21 4  48 o 21.935  3.4242 3.9566   1.1390  4.2061   1.6634  3.7364   1.5629  22.167  4.9155 20.888  4.8638 1.279594       6.915102 
1 1 1 21 4  49 o 21.900  3.4265 3.9512   1.1378  3.6470   1.6663  4.2169   1.5575  20.522  5.1790 22.256  4.6155 -1.733200      6.937197 
1 1 1 21 4  50 o 38.401  2.2273 11.747   1.3351  9.8874   2.0235  13.181   1.7767  34.689  3.7822 40.496  2.8162 -5.806580      4.715572 
1 1 1 21 4  51 o 43.697  1.9523 15.128   1.3374  14.205   1.9293  15.982   1.8556  41.961  2.9516 44.635  2.6640 -2.673641      3.976086 
1 1 1 21 4  52 o 36.909  2.2150 10.874   1.2757  11.536   1.8909  10.320   1.7283  37.645  3.2355 35.637  3.1251 2.007938       4.498319 
1 1 1 21 4  53 o 20.759  3.6111 3.6101   1.1325  2.5996   1.6115  4.5962   1.5919  17.303  5.3751 23.105  4.5569 -5.802057      7.046791 
1 1 1 21 4  54 o 26.143  2.9821 5.5885   1.2003  3.9432   1.6873  7.2739   1.7078  21.083  5.1495 29.530  3.7755 -8.446623      6.385266 
1 1 1 21 4  55 o 32.997  2.5573 8.7920   1.3125  9.2599   1.8571  8.3251   1.8553  33.401  3.6038 31.541  3.8308 1.860760       5.259500 
1 1 1 21 4  56 o 21.808  3.9799 4.0629   1.3105  6.1927   2.0744  2.6482   1.6906  26.382  5.2005 17.291  5.5237 9.091087       7.586644 
1 1 1 21 4  57 o 49.932  1.9815 19.864   1.5510  19.718   2.2680  19.992   2.1259  49.187  2.9550 49.660  2.7414 -0.4729996     4.030791 
1 1 1 21 4  58 o 14.302  4.7559 1.7281   1.2468  3.1562   1.8424  0.5216   1.6934  18.558  5.7444 12.306  5.1736 6.251931       7.730721 
1 1 1 21 4  59 o 32.084  2.7500 8.3993   1.3698  9.1909   1.9912  7.6881   1.8873  32.923  3.9361 29.969  4.1265 2.953127       5.702652 
1 1 1 21 4  60 f 12.159  4.6937 0.9783   1.2680  -1.4369  1.7862  3.4323   1.8005  9.7709  4.5880 19.231  5.6193 -9.459870      7.254396 
1 1 1 21 4  61 o 22.768  4.1918 4.5138   1.4410  4.1039   1.8671  5.1176   2.2663  20.964  5.5820 23.087  6.1510 -2.123549      8.306235 
1 1 1 21 4  62 o 14.723  5.0938 1.8547   1.4317  1.1227   1.8452  2.9621   2.2695  13.651  5.5347 17.914  6.3956 -4.262638      8.457920 
1 1 1 21 4  63 o 51.686  1.9233 21.354   1.5584  21.559   2.3147  21.185   2.1076  51.238  2.8935 50.981  2.6462 0.2576561      3.921097 
1 1 1 21 4  64 o 23.895  3.5685 4.8804   1.2958  2.6317   1.9330  6.7156   1.7462  16.852  5.9137 27.728  4.1444 -10.87590      7.221335 
1 1 1 21 4  65 o 32.361  2.8481 8.6737   1.4302  9.3956   2.1132  8.0636   1.9427  32.696  4.2213 30.275  4.2070 2.420847       5.959718 
1 1 1 21 4  66 o 8.3462  3.9417 -1.1870  1.3527  -3.3808  1.8715  1.2133   1.9576  8.2087  4.0488 13.672  5.6401 -5.463237      6.942863 
1 1 1 21 5  0  o 63.791  2.2610 32.053   2.2547  32.053   2.2547  32.053   2.2547  63.791  2.2610 63.791  2.2610 0.000000       0.000000 
1 1 1 21 5  1  o 41.013  2.0758 13.249   1.3303  13.821   1.9101  12.710   1.8539  41.793  2.9340 40.064  2.9729 1.729179       4.176854 
1 1 1 21 5  2  o 44.860  2.0050 15.808   1.4100  15.880   2.0059  15.738   1.9824  44.820  2.8700 44.622  2.8488 0.1986008      4.043772 
1 1 1 21 5  3  o 80.941  1.5077 51.416   1.9131  52.376   2.7095  50.461   2.7017  81.644  2.1170 80.135  2.1506 1.509331       3.017701 
1 1 1 21 5  4  o 119.156 1.4801 111.424  2.7648  110.506  3.7192  112.558  4.1335  118.606 2.0003 119.674 2.2033 -1.068146      2.975809 
1 1 1 21 5  5  o 85.609  1.5382 57.522   2.0644  59.785   2.8277  54.939   3.0207  87.231  2.0678 83.597  2.3050 3.634155       3.096592 
1 1 1 21 5  6  o 71.681  1.6770 40.339   1.8845  43.406   2.8946  38.082   2.4828  74.287  2.4855 69.602  2.2754 4.684853       3.369793 
1 1 1 21 5  7  o 67.362  1.6356 35.621   1.7272  36.840   2.5489  34.587   2.3487  68.446  2.3755 66.331  2.2587 2.115761       3.277880 
1 1 1 21 5  8  o 30.103  2.7531 7.1930   1.2848  7.1342   1.8266  7.2506   1.8076  29.769  4.0165 30.030  3.9343 -0.2617302     5.622347 
1 1 1 21 5  9  o 97.600  1.5072 74.766   2.3060  75.350   3.1383  74.080   3.3998  97.925  2.0443 97.073  2.2341 0.8516693      3.028287 
1 1 1 21 5  10 f 78.056  1.5058 47.822   1.8426  50.401   2.6357  45.357   2.5769  80.081  2.0994 75.963  2.1640 4.118668       3.015026 
1 1 1 21 5  11 o 57.205  1.7170 25.698   1.5398  24.856   2.1482  26.587   2.2084  56.209  2.4379 58.134  2.4232 -1.924706      3.437295 
1 1 1 21 5  12 o 15.582  4.4607 1.9728   1.1451  3.3310   1.6461  0.6996   1.5938  20.071  5.1924 13.011  5.1894 7.059533       7.341057 
1 1 1 21 5  13 o 33.018  2.4753 8.6268   1.2719  6.7567   1.7351  10.799   1.8699  28.959  3.9230 36.847  3.2713 -7.887270      5.107906 
1 1 1 21 5  14 o 102.777 1.4206 82.909   2.2889  84.875   3.2695  81.020   3.2053  103.918 2.0069 101.530 2.0138 2.388260       2.843132 
1 1 1 21 5  15 o 56.135  1.7116 24.750   1.5063  24.425   2.0944  25.099   2.1679  55.711  2.3981 56.470  2.4489 -0.7585869     3.427486 
1 1 1 21 5  16 o 14.228  4.6698 1.5478   1.2035  3.6637   1.8447  -0.0202  1.5880  21.013  5.5261 11.564  4.9415 9.449622       7.413213 
1 1 1 21 5  17 o 98.316  1.4251 75.879   2.1964  75.202   3.0679  76.590   3.1460  97.806  2.0009 98.699  2.0333 -0.8934097     2.852680 
1 1 1 21 5  18 o 78.053  1.4971 47.835   1.8319  44.308   2.5289  51.730   2.6573  75.053  2.1494 81.103  2.0900 -6.050568      2.998001 
1 1 1 21 5  19 f 22.632  3.4655 4.1435   1.1904  4.5758   1.5933  3.5974   1.7909  23.604  4.4696 20.803  5.4325 2.800320       7.034923 
1 1 1 21 5  20 o 73.906  1.5385 42.896   1.7825  44.515   2.5204  41.275   2.5213  75.221  2.1373 72.421  2.2207 2.800087       3.082183 
1 1 1 21 5  21 o 103.765 1.4323 84.542   2.3299  86.332   3.2964  82.755   3.2935  104.771 2.0069 102.571 2.0482 2.200592       2.867596 
1 1 1 21 5  22 o 51.895  1.7883 21.168   1.4548  21.147   2.0624  21.188   2.0525  51.797  2.5399 51.849  2.5252 -0.5174637E-01 3.581555 
1 1 1 21 5  23 o 62.914  1.6246 31.098   1.6023  28.228   2.2091  34.284   2.3275  59.862  2.3540 65.986  2.2500 -6.124065      3.256324 
1 1 1 21 5  24 o 59.375  1.6609 27.704   1.5460  28.862   2.1927  26.559   2.1801  60.532  2.3107 58.056  2.3954 2.476032       3.328253 
1 1 1 21 5  25 o 42.667  2.0945 14.330   1.4010  12.386   1.8379  17.026   2.1645  39.472  2.9925 46.312  2.9974 -6.840603      4.235449 
1 1 1 21 5  26 o 88.046  1.6255 60.923   2.2436  64.483   2.8964  55.582   3.5476  90.514  2.0412 83.906  2.6971 6.608376       3.382402 
1 1 1 21 5  27 o 67.502  1.6625 35.817   1.7592  33.679   2.1418  40.252   3.0843  65.402  2.0890 71.383  2.7562 -5.980331      3.458413 
1 1 1 21 5  28 o 47.542  1.9787 17.790   1.4747  17.942   1.8252  17.503   2.5030  47.630  2.4527 46.842  3.4325 0.7880325      4.218772 
1 1 1 21 5  29 o 8.5873  3.9252 -0.7726  1.1812  -1.8580  1.4348  1.5099   2.0807  8.3087  3.9628 15.874  6.0409 -7.565485      7.224708 
1 1 1 21 5  30 o 50.580  1.9010 20.135   1.5073  17.024   1.8172  26.998   2.6989  46.372  2.5091 58.326  2.9614 -11.95401      3.881400 
1 1 1 21 5  31 o 81.951  1.5653 52.793   2.0110  50.605   2.6798  55.614   3.0425  80.136  2.1331 83.969  2.3113 -3.833145      3.145192 
1 1 1 21 5  32 o 43.844  2.2082 15.194   1.5129  15.114   1.9819  15.306   2.3420  43.593  2.9169 43.747  3.4428 -0.1545029     4.512350 
1 1 1 21 5  33 o 44.050  2.5279 15.380   1.7384  16.495   2.3433  14.016   2.5923  45.447  3.3119 41.686  4.0165 3.760727       5.205827 
1 1 1 21 5  34 o 61.924  1.8319 30.187   1.7783  33.717   2.8051  27.815   2.2994  65.270  2.7414 59.336  2.4720 5.934296       3.691378 
1 1 1 21 5  35 o 29.372  3.4658 6.9608   1.5651  9.4806   2.5113  5.3606   2.0013  33.936  4.8590 25.265  5.2252 8.671064       7.135337 
1 1 1 21 5  36 o 67.356  2.1719 35.794   2.2933  38.430   3.3510  33.471   3.1453  69.566  3.0727 64.917  3.0906 4.648964       4.358122 
1 1 1 21 5  37 o 24.175  4.4408 4.8476   1.6210  6.5394   2.4318  3.4947   2.1746  27.760  5.7759 20.430  6.2265 7.330769       8.492970 
1 1 1 21 5  38 o 42.148  2.5074 14.104   1.6493  12.454   2.1628  16.397   2.5493  39.339  3.5452 45.154  3.6322 -5.814976      5.075501 
1 1 1 21 5  39 o 37.017  2.5359 10.899   1.4627  10.596   2.1066  11.180   2.0325  36.181  3.7694 37.248  3.5226 -1.066898      5.159144 
1 1 1 21 5  40 f 74.810  1.6981 44.077   1.9915  45.734   2.7550  42.263   2.8820  76.050  2.3109 73.047  2.5168 3.002518       3.416753 
1 1 1 21 5  41 o 50.358  2.0700 20.026   1.6342  21.058   2.5487  19.305   2.1295  51.287  3.1858 49.224  2.7708 2.062469       4.222182 
1 1 1 21 5  42 o 77.340  1.5343 47.088   1.8602  47.889   2.6177  46.271   2.6439  77.835  2.1453 76.491  2.2049 1.344322       3.076336 
1 1 1 21 5  43 o 18.013  4.2095 2.7308   1.1673  4.0603   1.6423  1.3732   1.6595  21.852  4.9132 14.453  5.4184 7.399562       7.314260 
1 1 1 21 5  44 o 12.769  4.5518 1.1729   1.1492  2.0870   1.6187  0.2440   1.6317  16.164  5.4198 11.988  5.0612 4.175936       7.415520 
1 1 1 21 5  45 o 23.230  3.4372 4.4253   1.2139  6.6337   1.7119  2.1917   1.7216  28.362  3.9581 16.534  5.5893 11.82816       6.848846 
1 1 1 21 5  46 o 36.100  2.3184 10.385   1.3051  11.886   1.8655  8.9456   1.8265  38.384  3.1274 33.114  3.5752 5.269497       4.750020 
1 1 1 21 5  47 o 17.983  4.1467 2.7418   1.1451  0.9732   1.5544  4.8411   1.6934  13.176  5.1657 23.841  4.6981 -10.66467      6.982566 
1 1 1 21 5  48 o 43.358  1.9560 14.887   1.3295  15.268   1.8803  14.505   1.8801  43.608  2.7648 42.472  2.8401 1.135895       3.963643 
1 1 1 21 5  49 o 33.471  2.3801 8.9666   1.2407  6.6495   1.7370  11.380   1.7728  28.228  4.0405 37.495  3.0423 -9.266647      5.057806 
1 1 1 21 5  50 o 43.754  2.0484 15.200   1.4050  14.541   1.9351  15.935   2.0434  42.422  2.9277 44.405  2.9521 -1.983604      4.157727 
1 1 1 21 5  51 o 10.813  4.4576 0.4096   1.2217  1.8828   1.6497  -1.3791  1.8178  15.392  5.4573 10.099  4.7048 5.293018       7.205376 
1 1 1 21 5  52 o 19.769  4.2287 3.3645   1.2709  3.3876   1.7468  3.3385   1.8526  19.449  5.4893 19.279  5.7184 0.1698818      7.926728 
1 1 1 21 5  53 o 13.452  4.7423 1.4197   1.2440  1.9252   1.6563  0.7655   1.8843  15.402  5.4674 13.334  5.5199 2.067306       7.769300 
1 1 1 21 5  54 o 47.720  2.1866 18.192   1.6358  17.483   2.3488  18.860   2.2794  46.147  3.2679 48.083  3.0397 -1.935696      4.463061 
1 1 1 21 5  55 o 33.049  2.8324 8.9091   1.4533  11.641   2.1374  6.5604   1.9819  37.320  3.7022 27.337  4.7998 9.983145       6.061718 
1 1 1 21 5  56 o 9.0780  4.1180 -0.5410  1.2691  -2.5431  1.8533  1.2268   1.7414  8.9663  4.3345 13.791  5.4483 -4.824334      6.962156 
1 1 1 21 5  57 o 8.3276  3.8802 -0.9548  1.2373  0.9254   1.9412  -2.2412  1.6057  13.582  5.6109 8.3493  4.0359 5.232268       6.911592 
1 1 1 21 5  58 o 22.716  3.9913 4.4481   1.3695  3.0553   2.0145  5.6448   1.8673  18.176  6.0454 25.117  4.9185 -6.940496      7.793481 
1 1 1 21 5  59 o 18.811  4.5489 3.1599   1.3267  5.0555   1.9923  1.6495   1.7783  23.323  5.5325 14.666  5.5838 8.657449       7.860519 
1 1 1 21 5  60 o 22.369  4.0272 4.3432   1.3603  3.2289   2.0628  5.2006   1.8095  18.486  6.1161 23.962  4.9796 -5.476059      7.886878 
1 1 1 21 5  61 o 41.220  2.4095 13.773   1.5502  14.799   2.3491  12.982   2.0632  41.890  3.6125 39.398  3.3731 2.492634       4.942453 
1 1 1 21 5  62 f 13.163  4.7178 1.4168   1.2361  0.8954   1.8842  1.8107   1.6377  13.186  5.4941 14.691  5.4066 -1.505747      7.708189 
1 1 1 21 5  63 o 23.572  4.1465 4.9065   1.4763  4.8230   2.0293  5.0004   2.1517  22.250  5.7694 22.492  5.9940 -0.2423096     8.319512 
1 1 1 21 5  64 o 15.547  5.0309 2.2401   1.3990  2.3981   2.0575  2.1043   1.9079  16.141  6.0368 15.411  5.8034 0.7301884      8.373882 
1 1 1 21 5  65 o 35.739  2.7378 10.599   1.5222  9.7136   2.1885  11.428   2.1187  32.879  4.3530 36.237  3.7854 -3.357784      5.768703 
1 1 1 21 6  0  o 25.312  4.9275 5.5844   1.7427  5.5844   1.7427  5.5844   1.7427  25.312  4.9275 25.312  4.9275 0.000000       0.000000 
1 1 1 21 6  1  o 81.999  1.5043 52.787   1.9338  51.136   2.7169  54.482   2.7530  80.641  2.1492 83.242  2.1096 -2.600929      3.011546 
1 1 1 21 6  2  o 67.881  1.5610 36.179   1.6611  35.000   2.2387  37.623   2.4777  66.716  2.1405 69.155  2.2854 -2.439034      3.131283 
1 1 1 21 6  3  o 58.905  1.6487 27.249   1.5224  28.200   2.0772  26.145   2.2378  59.879  2.2129 57.631  2.4769 2.248085       3.321441 
1 1 1 21 6  4  o 89.037  1.4158 62.227   1.9762  66.626   2.7561  57.573   2.8351  92.077  1.9093 85.568  2.1135 6.508926       2.848227 
1 1 1 21 6  5  o 33.221  2.4120 8.7317   1.2476  8.5305   1.6848  8.9759   1.8564  32.695  3.3339 33.500  3.5908 -0.8053093     4.899827 
1 1 1 21 6  6  o 70.603  1.5208 39.138   1.6833  37.064   2.2588  41.728   2.5244  68.656  2.0987 72.835  2.2109 -4.178383      3.048364 
1 1 1 21 6  7  o 57.633  1.6630 26.088   1.5025  23.890   2.0129  28.853   2.2580  55.099  2.3304 60.547  2.3789 -5.448666      3.330144 
1 1 1 21 6  8  o 56.754  1.6526 25.298   1.4704  25.896   2.0306  24.639   2.1319  57.371  2.2578 55.944  2.4309 1.426735       3.317660 
1 1 1 21 6  9  o 66.130  1.5248 34.338   1.5808  34.677   2.1686  33.954   2.3092  66.406  2.0831 65.692  2.2423 0.7134552      3.060593 
1 1 1 21 6  10 f 7.5273  3.5558 -1.2602  1.1020  -1.5346  1.5075  -0.9452  1.6152  9.0057  4.2243 10.198  4.6338 -1.192632      6.270267 
1 1 1 21 6  11 o 90.530  1.4064 64.339   1.9959  64.973   2.7170  63.597   2.9417  90.916  1.9064 89.923  2.0868 0.9930191      2.826453 
1 1 1 21 6  12 o 98.303  1.3806 75.860   2.1276  76.138   2.8947  75.533   3.1379  98.420  1.8761 98.003  2.0424 0.4168777      2.773310 
1 1 1 21 6  13 o 50.662  1.7572 20.169   1.3956  22.508   1.9310  17.610   2.0194  53.471  2.3035 47.177  2.7423 6.294437       3.581382 
1 1 1 21 6  14 o 38.341  2.0866 11.598   1.2494  10.235   1.6655  13.352   1.8896  35.882  2.9881 41.019  2.9583 -5.137665      4.204813 
1 1 1 21 6  15 o 84.211  1.5027 55.692   1.9837  54.030   2.7694  57.444   2.8430  82.864  2.1319 85.444  2.1224 -2.579941      3.008241 
1 1 1 21 6  16 o 35.641  2.2485 10.040   1.2499  8.8981   1.6849  11.437   1.8638  33.384  3.2611 37.905  3.1654 -4.521168      4.544763 
1 1 1 21 6  17 o 36.930  2.1017 10.767   1.2117  11.241   1.6540  10.216   1.7802  37.633  2.8243 35.799  3.2061 1.833469       4.272638 
1 1 1 21 6  18 o 124.933 1.4377 122.575  2.8159  125.003  4.0145  120.223  3.9507  126.046 2.0317 123.610 2.0388 2.435509       2.878219 
1 1 1 21 6  19 o 43.669  1.8983 14.999   1.2995  17.699   1.8009  12.065   1.8772  47.325  2.4357 38.936  3.1011 8.388454       3.943231 
1 1 1 21 6  20 o 37.891  2.1011 11.336   1.2432  11.350   1.6904  11.320   1.8347  37.795  2.8746 37.696  3.1330 0.9899521E-01  4.251904 
1 1 1 21 6  21 o 36.389  2.1312 10.462   1.2105  9.6118   1.6262  11.518   1.8127  34.733  3.0165 38.035  3.0662 -3.301975      4.301268 
1 1 1 21 6  22 o 44.321  1.8709 15.452   1.2999  17.625   1.7955  13.059   1.8845  47.214  2.4341 40.525  2.9874 6.689457       3.853497 
1 1 1 21 6  23 o 31.995  2.3270 8.1116   1.1592  7.6635   1.5701  8.6483   1.7185  30.923  3.2894 32.850  3.3855 -1.926950      4.720331 
1 1 1 21 6  24 f 29.892  2.5734 7.1051   1.1941  7.1769   1.5446  6.9982   1.8827  29.897  3.3534 29.316  4.2181 0.5809135      5.388663 
1 1 1 21 6  25 o 38.287  2.0759 11.579   1.2413  11.952   1.6704  11.119   1.8550  38.787  2.7652 37.318  3.2020 1.469875       4.230714 
1 1 1 21 6  26 o 56.056  1.6414 24.707   1.4425  24.832   1.9532  24.557   2.1394  56.126  2.2199 55.781  2.4466 0.3449631      3.303566 
1 1 1 21 6  27 o 31.609  2.4176 7.9312   1.1889  7.8399   1.5981  8.0444   1.7792  31.255  3.3122 31.584  3.6613 -0.3292694     4.937196 
1 1 1 21 6  28 o 65.195  1.6613 33.428   1.6979  36.605   2.5109  30.752   2.3048  68.107  2.3517 62.425  2.3551 5.682613       3.328207 
1 1 1 21 6  29 o 71.661  1.7745 40.412   1.9935  41.169   2.6053  39.343   3.0965  72.232  2.3008 70.500  2.8017 1.731918       3.625366 
1 1 1 21 6  30 o 51.378  2.1493 20.815   1.7311  22.732   2.2041  17.727   2.7967  53.614  2.6223 46.965  3.8319 6.649551       4.643321 
1 1 1 21 6  31 o 71.513  1.8643 40.271   2.0901  40.879   2.6343  39.239   3.4337  71.956  2.3353 70.300  3.1157 1.656364       3.893730 
1 1 1 21 6  32 f 84.348  1.9251 56.051   2.5456  55.593   2.9614  57.349   4.9818  83.924  2.2509 84.721  3.7510 -0.7962036     4.374516 
1 1 1 21 6  33 f 52.131  2.2931 21.461   1.8740  21.081   2.1595  22.622   3.7710  51.529  2.6826 52.749  4.6066 -1.219486      5.330719 
1 1 1 21 6  34 o 12.218  4.6270 0.8929   1.2170  0.3885   1.6393  1.5123   1.8164  12.379  5.1385 15.215  5.6757 -2.835637      7.656234 
1 1 1 21 6  35 o 52.354  2.0765 21.627   1.7042  25.225   2.5175  18.583   2.3155  56.306  2.8614 48.247  3.0775 8.059082       4.202199 
1 1 1 21 6  36 o 33.076  2.5973 8.7192   1.3359  9.1247   1.7501  8.1531   2.0680  33.658  3.3617 31.526  4.2962 2.131983       5.455081 
1 1 1 21 6  37 o 52.353  1.9781 21.624   1.6234  21.191   2.0340  22.385   2.6948  51.724  2.5084 52.875  3.2670 -1.150566      4.118934 
1 1 1 21 6  38 o 32.660  2.5202 8.5025   1.2804  10.586   1.7487  6.0942   1.8799  36.320  3.1009 27.053  4.5973 9.267315       5.545319 
1 1 1 21 6  39 o 41.405  2.3340 13.614   1.5088  14.555   1.9185  12.087   2.4430  42.674  2.8847 38.477  4.1138 4.196846       5.024409 
1 1 1 21 6  40 o 46.592  2.0373 17.153   1.4881  16.913   1.9960  17.453   2.2328  46.027  2.7793 46.667  3.0691 -0.6397057     4.140531 
1 1 1 21 6  41 o 39.666  2.7217 12.576   1.6822  11.922   2.3628  13.248   2.3954  38.189  4.0065 40.343  3.8337 -2.154102      5.545149 
1 1 1 21 6  42 o 39.778  2.6715 12.649   1.6563  12.896   2.3435  12.402   2.3411  39.777  3.8046 38.969  3.8840 0.8074951      5.436955 
1 1 1 21 6  43 o 49.017  2.3759 19.078   1.8257  18.768   2.5025  19.430   2.6695  48.214  3.3313 48.987  3.4991 -0.7737122     4.831325 
1 1 1 21 6  44 o 52.945  2.2451 22.244   1.8634  23.506   2.6391  20.988   2.6315  54.034  3.1290 50.967  3.3114 3.066833       4.555920 
1 1 1 21 6  45 o 44.291  2.4740 15.668   1.7109  14.729   2.4437  16.571   2.3962  42.450  3.7094 45.183  3.4081 -2.733078      5.037354 
1 1 1 21 6  46 o 41.022  2.5097 13.469   1.6062  11.368   2.1507  16.118   2.4152  37.201  3.7384 44.476  3.4921 -7.274826      5.115712 
1 1 1 21 6  47 o 74.996  1.6439 44.439   1.9327  44.420   2.6269  44.463   2.8537  74.723  2.2425 74.659  2.4382 0.6393433E-01  3.312629 
1 1 1 21 6  48 o 23.154  3.5842 4.4623   1.2590  4.5590   1.6837  4.3396   1.8960  22.912  4.8393 22.087  5.4976 0.8250313      7.324122 
1 1 1 21 6  49 o 27.783  3.0506 6.3089   1.3068  8.0106   1.7640  4.2390   1.9455  31.067  3.6944 21.702  5.6597 9.365692       6.758735 
1 1 1 21 6  50 o 20.213  4.0852 3.5006   1.2500  3.9141   1.6770  2.9837   1.8750  20.976  5.1401 18.311  5.8137 2.664265       7.760165 
1 1 1 21 6  51 o 28.417  3.2317 6.6592   1.4140  8.4443   1.9720  4.7701   2.0287  31.610  4.0743 22.865  5.6841 8.745916       6.993509 
1 1 1 21 6  52 o 31.072  2.8591 7.8806   1.3771  7.5513   1.8210  8.3204   2.1045  29.867  3.9890 31.109  4.4413 -1.242382      5.969677 
1 1 1 21 6  53 o 27.012  3.3985 6.0828   1.4073  5.9957   1.9886  6.1701   1.9917  25.922  5.0752 26.348  5.0050 -0.4260349     7.127977 
1 1 1 21 6  54 o 9.4255  4.2118 -0.3315  1.2724  -0.3863  1.8872  -0.2858  1.7229  11.393  5.1076 11.042  4.9200 0.3513231      7.091814 
1 1 1 21 6  55 o 13.385  4.8171 1.4175   1.2899  5.0617   1.9856  -1.2433  1.6967  23.415  5.5025 9.6849  4.5230 13.73035       7.122869 
1 1 1 21 6  56 o 16.743  4.8966 2.5229   1.3666  2.6183   2.0364  2.4447   1.8434  17.119  6.0639 16.602  5.7779 0.5172462      8.375834 
1 1 1 21 6  57 o 12.933  4.8917 1.2218   1.3592  1.1884   1.9983  1.2506   1.8541  14.082  5.7408 13.933  5.5833 0.1493750      8.008147 
1 1 1 21 6  58 o 20.608  4.3509 3.7618   1.3615  5.6728   2.0177  2.1642   1.8448  24.781  5.3504 15.847  5.7523 8.934798       7.855944 
1 1 1 21 6  59 o 40.670  2.5130 13.453   1.5944  12.540   2.3895  14.186   2.1405  38.180  4.0544 41.204  3.3426 -3.024517      5.254591 
1 1 1 21 6  60 o 21.560  4.4051 4.1544   1.4386  1.9815   2.1680  5.8637   1.9229  15.634  6.1087 25.288  5.0276 -9.653398      7.911584 
1 1 1 21 6  61 o 22.905  3.9387 4.5902   1.3633  8.4033   2.3605  2.6816   1.6700  30.138  5.1831 16.864  5.4994 13.27376       7.556960 
1 1 1 21 6  62 o 11.951  4.7792 0.9134   1.3554  2.7374   2.0438  -0.5183  1.8108  16.884  6.0649 10.708  4.8810 6.176879       7.785069 
1 1 1 21 6  63 o 31.848  2.8596 8.4650   1.4125  8.9027   2.0185  8.0449   1.9773  31.640  4.1711 29.917  4.3429 1.722742       6.021509 
1 1 1 21 7  0  o 55.909  2.4082 24.688   2.1018  24.688   2.1018  24.688   2.1018  55.909  2.4082 55.909  2.4082 0.000000       0.000000 
1 1 1 21 7  1  o 46.161  1.9613 16.758   1.4193  17.349   2.0185  16.180   1.9960  46.811  2.7629 45.189  2.8318 1.621441       3.956337 
1 1 1 21 7  2  o 12.388  4.5949 0.9574   1.1872  -1.4521  1.6439  3.5835   1.7162  9.6462  4.4872 20.739  5.2684 -11.09258      6.920371 
1 1 1 21 7  3  o 43.264  2.0839 14.728   1.4134  15.644   1.9073  13.611   2.1050  44.445  2.7510 41.352  3.2740 3.093487       4.276289 
1 1 1 21 7  4  o 9.1703  4.0547 -0.3530  1.1480  0.6564   1.6208  -1.3693  1.6263  12.961  5.2109 9.6759  4.4881 3.284884       6.877243 
1 1 1 21 7  5  o 121.523 1.5229 115.993  2.9013  117.283  4.3958  114.997  3.8620  122.037 2.2977 120.903 2.0376 1.134903       3.071036 
1 1 1 21 7  6  o 63.165  1.7248 31.357   1.7079  29.950   2.4716  32.643   2.3629  61.634  2.5580 64.376  2.3413 -2.741909      3.467711 
1 1 1 21 7  7  o 43.540  1.9723 14.911   1.3462  15.697   1.8374  14.001   1.9780  44.533  2.6438 41.984  3.0256 2.548744       4.017925 
1 1 1 21 7  8  o 64.991  1.6105 33.186   1.6409  34.765   2.1931  31.179   2.4732  66.463  2.1049 62.889  2.5086 3.574718       3.274667 
1 1 1 21 7  9  o 74.688  1.4982 43.815   1.7541  43.619   2.3876  44.045   2.5857  74.454  2.0456 74.793  2.2053 -0.3391342     3.007927 
1 1 1 21 7  10 o 40.750  1.9865 13.064   1.2690  12.893   1.7400  13.259   1.8548  40.319  2.7697 40.865  2.9143 -0.5461884     4.020511 
1 1 1 21 7  11 o 39.593  2.0645 12.371   1.2770  14.781   1.7917  9.8825   1.8204  43.200  2.6586 35.168  3.3422 8.032093       4.270661 
1 1 1 21 7  12 o 30.231  2.5570 7.2596   1.2004  8.0368   1.6340  6.3482   1.7694  31.680  3.3406 27.934  4.1681 3.745726       5.341590 
1 1 1 21 7  13 o 90.735  1.4068 64.658   2.0010  66.689   2.7425  62.346   2.9261  92.075  1.9000 88.992  2.0974 3.083206       2.830045 
1 1 1 21 7  14 o 81.583  1.5232 52.293   1.9481  55.659   2.8307  49.264   2.6852  84.072  2.1478 79.092  2.1657 4.980125       3.050081 
1 1 1 21 7  15 o 58.222  1.6363 26.643   1.4935  25.679   2.0028  27.852   2.2416  57.090  2.2378 59.434  2.4059 -2.343498      3.285760 
1 1 1 21 7  16 o 49.169  1.7955 19.014   1.3840  20.888   1.8973  16.882   2.0234  51.474  2.3512 46.134  2.8111 5.339722       3.664753 
1 1 1 21 7  17 o 94.208  1.4112 69.714   2.0842  65.674   2.7623  75.055   3.1758  91.352  1.9288 97.629  2.0750 -6.276924      2.833027 
1 1 1 21 7  18 o 55.903  1.6613 24.570   1.4559  25.457   1.9960  23.560   2.1284  56.833  2.2402 54.641  2.4847 2.192863       3.345542 
1 1 1 21 7  19 o 64.659  1.5432 32.857   1.5642  36.546   2.1853  28.982   2.2401  68.122  2.0463 60.619  2.3572 7.503506       3.121480 
1 1 1 21 7  20 f 61.649  1.6173 29.880   1.5630  28.433   2.0964  31.692   2.3455  60.057  2.2267 63.384  2.3604 -3.326962      3.244954 
1 1 1 21 7  21 o 62.707  1.7406 30.932   1.7111  28.087   2.2246  35.054   2.6777  59.662  2.3785 66.617  2.5640 -6.955284      3.497344 
1 1 1 21 7  22 o 11.820  4.5900 0.7284   1.2182  1.4146   1.5855  -0.2605  1.9033  14.543  5.3246 12.174  5.3064 2.369414       7.517228 
1 1 1 21 7  23 o 24.095  3.7429 4.7326   1.3679  5.1955   1.8499  4.1739   2.0320  24.977  4.8995 22.214  5.7798 2.763189       7.577003 
1 1 1 21 7  24 o 44.422  2.3669 15.620   1.6423  17.350   2.1121  12.975   2.6119  46.713  2.8985 40.029  4.2262 6.683151       5.124641 
1 1 1 21 7  25 o 57.576  2.0932 26.131   1.8893  25.832   2.3898  26.630   3.0852  57.144  2.6676 57.754  3.4228 -0.6094513     4.339588 
1 1 1 21 7  26 o 62.944  1.8949 31.203   1.8698  29.217   2.4120  34.194   2.9597  60.795  2.5308 65.689  2.8741 -4.894218      3.829559 
1 1 1 21 7  27 o 42.015  2.2477 13.971   1.4751  13.661   2.0334  14.314   2.1431  41.351  3.1606 42.310  3.2560 -0.9586601     4.537783 
1 1 1 21 7  28 o 74.417  1.6233 43.568   1.8938  44.640   2.7949  42.658   2.5751  75.170  2.3717 73.515  2.2344 1.655426       3.258475 
1 1 1 21 7  29 o 54.142  1.8659 23.092   1.5837  23.929   2.2800  22.312   2.2014  54.976  2.6455 53.086  2.6453 1.889858       3.741131 
1 1 1 21 7  30 o 35.774  2.3189 10.153   1.2935  10.861   1.8601  9.4893   1.7998  36.798  3.2582 34.345  3.3869 2.453548       4.699658 
1 1 1 21 7  31 o 78.934  1.6044 49.030   1.9853  51.118   2.6896  46.531   2.9427  80.476  2.1319 76.696  2.4475 3.779709       3.245772 
1 1 1 21 7  32 o 17.212  4.4560 2.4837   1.2118  1.4554   1.5993  3.8697   1.8568  14.596  5.3471 21.315  5.5148 -6.718394      7.681415 
1 1 1 21 7  33 o 65.535  1.8024 33.845   1.8517  33.955   2.3699  33.673   2.9670  65.530  2.3069 65.090  2.9077 0.4398880      3.711677 
1 1 1 21 7  34 o 50.366  1.9177 20.009   1.5142  19.653   2.0451  20.441   2.2526  49.710  2.6337 50.638  2.8493 -0.9275246     3.880013 
1 1 1 21 7  35 o 62.931  1.7888 31.221   1.7647  30.861   2.4157  31.634   2.5841  62.406  2.4693 63.142  2.6106 -0.7364388     3.593415 
1 1 1 21 7  36 o 50.492  1.9717 20.130   1.5607  21.242   2.0775  18.689   2.3646  51.739  2.5614 48.287  3.1408 3.451447       4.052851 
1 1 1 21 7  37 o 47.653  2.0115 17.941   1.5026  19.005   1.9982  16.557   2.2796  48.844  2.6192 45.389  3.2246 3.454731       4.154352 
1 1 1 21 7  38 o 34.121  2.6221 9.3079   1.3918  8.8893   1.7402  10.051   2.3188  33.119  3.3999 34.901  4.3312 -1.781162      5.506235 
1 1 1 21 7  39 o 16.692  4.5459 2.3585   1.2217  1.6770   1.6469  3.1924   1.8217  15.112  5.4425 19.282  5.6576 -4.169387      7.850438 
1 1 1 21 7  40 o 41.903  2.4634 14.003   1.6111  13.723   2.1526  14.359   2.4292  41.179  3.3640 41.980  3.7300 -0.8010216     5.022887 
1 1 1 21 7  41 o 22.954  3.8016 4.3764   1.3201  3.8592   1.6912  5.1828   2.1118  21.117  5.1540 24.347  5.6431 -3.230373      7.642528 
1 1 1 21 7  42 o 40.672  2.3752 13.199   1.5078  11.334   1.9024  16.350   2.4728  37.375  3.2800 44.818  3.5485 -7.442230      4.832221 
1 1 1 21 7  43 o 81.426  1.7116 52.389   2.1848  52.902   2.8242  51.626   3.4477  81.606  2.2076 80.330  2.7377 1.275703       3.516928 
1 1 1 21 7  44 o 45.527  2.1213 16.461   1.5140  19.166   2.0854  13.446   2.2017  48.844  2.7344 40.563  3.4965 8.281502       4.438743 
1 1 1 21 7  45 o 27.463  3.0949 6.1577   1.3092  5.3162   1.7535  7.2175   1.9679  24.876  4.6679 29.190  4.4406 -4.313759      6.442664 
1 1 1 21 7  46 o 64.205  1.7719 32.649   1.7834  35.877   2.4726  29.150   2.5747  67.039  2.3528 60.241  2.7263 6.798244       3.601146 
1 1 1 21 7  47 o 38.438  2.6657 11.926   1.5964  13.379   2.1770  10.237   2.3480  40.324  3.4778 34.737  4.4111 5.586849       5.617183 
1 1 1 21 7  48 o 27.528  3.6143 6.3229   1.5220  6.4259   2.0312  6.1909   2.2985  27.069  4.9696 26.099  5.7710 0.9698410      7.615872 
1 1 1 21 7  49 o 47.016  2.3445 17.711   1.7280  18.915   2.3008  16.153   2.6171  48.133  3.0652 43.973  3.8349 4.160172       4.909314 
1 1 1 21 7  50 o 9.6947  4.4700 -0.9338  1.5780  -1.8004  2.3557  -0.2285  2.1253  11.193  5.2598 12.315  5.4774 -1.122424      7.593897 
1 1 1 21 7  51 o 15.566  5.2734 2.0876   1.5326  3.1970   2.1681  0.9795   2.1667  18.625  6.2724 14.174  5.8975 4.451065       8.609468 
1 1 1 21 7  52 o 48.715  2.2320 19.033   1.7046  17.822   2.3615  20.351   2.4630  46.447  3.2639 49.712  3.1771 -3.264278      4.554853 
1 1 1 21 7  53 o 12.939  4.9172 1.2009   1.3774  2.5586   1.9536  -0.1413  1.9424  16.938  5.9451 11.838  5.2522 5.099916       7.932847 
1 1 1 21 7  54 o 29.662  3.3430 7.3551   1.5274  4.0802   2.0900  11.109   2.2376  20.626  6.0622 36.047  4.0285 -15.42196      7.278644 
1 1 1 21 7  55 o 23.892  4.1554 4.9731   1.4999  4.5065   2.1243  5.4369   2.1180  21.622  6.0364 24.011  5.7102 -2.389217      8.309302 
1 1 1 21 7  56 o 41.593  2.5773 14.086   1.6722  16.360   2.4305  12.041   2.3043  44.124  3.5436 37.491  3.9815 6.632988       5.330064 
1 1 1 21 7  57 o 27.994  3.6048 6.6659   1.5452  8.3093   2.2623  5.2286   2.1156  30.351  4.9234 23.340  5.8060 7.010918       7.612446 
1 1 1 21 7  58 o 25.263  4.2489 5.6287   1.6230  5.6903   2.4235  5.5785   2.1854  23.819  6.3677 23.991  5.8610 -0.1715736     8.654369 
1 1 1 21 7  59 o 19.657  4.8030 3.5743   1.4674  3.4042   2.3431  3.6841   1.8823  18.465  6.5084 19.406  5.7661 -0.9412556     8.695199 
1 1 1 21 7  60 o 25.004  3.9038 5.4798   1.4802  6.6507   2.8120  5.0310   1.7409  24.873  6.9454 23.232  4.9325 1.640667       8.518752 
1 1 1 21 7  61 f 10.444  4.5843 0.0803   1.4427  0.8698   2.6959  -0.2364  1.7078  14.216  6.2528 10.717  4.8271 3.498993       7.899203 
1 1 1 21 8  0  o 89.618  2.1283 63.181   2.9863  63.181   2.9863  63.181   2.9863  89.618  2.1283 89.618  2.1283 0.000000       0.000000 
1 1 1 21 8  1  o 105.023 1.4718 86.655   2.4232  87.147   3.4206  86.159   3.4333  105.202 2.0740 104.600 2.0938 0.6027451      2.947125 
1 1 1 21 8  2  o 57.515  1.8036 26.019   1.6262  23.758   2.1455  29.072   2.4931  54.873  2.4941 60.680  2.6208 -5.807022      3.617881 
1 1 1 21 8  3  o 16.625  4.4578 2.2883   1.1856  3.4884   1.7030  1.1596   1.6516  20.416  5.2812 14.118  5.3798 6.298446       7.538798 
1 1 1 21 8  4  o 51.248  1.9201 20.668   1.5426  21.935   2.3064  19.642   2.0750  52.605  2.8069 49.800  2.6676 2.805389       3.872275 
1 1 1 21 8  5  o 21.404  3.9906 3.7648   1.2897  2.2252   2.0518  4.7706   1.6583  17.386  6.0932 24.026  4.5699 -6.640509      7.616492 
1 1 1 21 8  6  o 60.654  1.6716 28.924   1.5894  31.008   2.3168  27.072   2.1846  62.707  2.3568 58.589  2.3785 4.118221       3.348371 
1 1 1 21 8  7  o 45.034  1.9669 15.964   1.3886  18.223   2.0169  13.928   1.9146  47.953  2.6938 41.856  2.9365 6.097466       3.984951 
1 1 1 21 8  8  o 35.722  2.4208 10.112   1.3476  11.152   1.8838  9.0225   1.9287  37.365  3.2483 33.472  3.7396 3.893520       4.953399 
1 1 1 21 8  9  o 67.770  1.5976 36.102   1.6973  35.514   2.4014  36.689   2.3992  67.117  2.2823 68.224  2.2433 -1.107376      3.200192 
1 1 1 21 8  10 o 41.684  2.0468 13.684   1.3375  12.464   1.8541  15.007   1.9313  39.563  3.0121 43.466  2.8500 -3.902996      4.146765 
1 1 1 21 8  11 o 94.957  1.4052 70.837   2.0918  69.163   2.8283  72.859   3.1079  93.736  1.9247 96.178  2.0613 -2.441956      2.820167 
1 1 1 21 8  12 o 86.261  1.4253 58.463   1.9274  57.296   2.5856  59.923   2.8914  85.311  1.9333 87.208  2.1150 -1.896698      2.865450 
1 1 1 21 8  13 o 10.285  4.2836 0.2065   1.1446  0.6434   1.6165  -0.2327  1.6210  12.868  5.1933 11.249  4.9003 1.619203       7.140262 
1 1 1 21 8  14 o 78.039  1.7641 47.915   2.1582  45.495   2.8150  51.365   3.3617  75.931  2.3649 80.609  2.6602 -4.678490      3.559403 
1 1 1 21 8  15 o 43.739  2.3222 15.136   1.5866  16.016   2.0873  13.931   2.4416  44.864  2.9849 41.633  3.7823 3.230904       4.818213 
1 1 1 21 8  16 o 22.617  4.0569 4.2081   1.3856  4.8589   1.8451  3.3666   2.0981  24.099  5.0457 20.144  6.1109 3.954746       7.924770 
1 1 1 21 8  17 f 97.246  2.0153 74.505   3.0722  73.351   4.2512  75.767   4.4449  96.255  2.8173 97.798  2.8992 -1.543320      4.042560 
1 1 1 21 8  18 o 33.813  3.1877 9.1558   1.6697  8.5040   2.0968  10.286   2.7606  32.309  4.2423 35.299  5.1395 -2.990322      6.664139 
1 1 1 21 8  19 o 56.425  1.9512 25.081   1.7259  23.010   2.3705  27.417   2.5179  53.829  2.8189 58.855  2.7290 -5.025715      3.923418 
1 1 1 21 8  20 o 57.434  2.0067 25.995   1.8068  25.539   2.3949  26.599   2.7528  56.806  2.6893 57.817  3.0479 -1.011223      4.064718 
1 1 1 21 8  21 o 40.709  2.5107 13.150   1.5944  12.370   2.0723  14.281   2.4961  39.278  3.3990 42.104  3.8234 -2.825768      5.115813 
1 1 1 21 8  22 o 19.852  4.1811 3.2771   1.2601  1.4962   1.6888  5.5137   1.8927  14.926  5.4906 25.712  4.8740 -10.78608      7.341845 
1 1 1 21 8  23 o 32.288  2.6942 8.3116   1.3513  9.3577   1.8289  7.0540   2.0053  34.094  3.4701 29.266  4.5162 4.827953       5.695440 
1 1 1 21 8  24 o 65.036  1.7263 33.297   1.7600  33.709   2.3280  32.748   2.6888  65.333  2.2730 64.305  2.6673 1.028435       3.504404 
1 1 1 21 8  25 o 66.926  1.7374 35.267   1.8228  35.239   2.4158  35.305   2.7776  66.785  2.3074 66.762  2.6539 0.2253723E-01  3.516701 
1 1 1 21 8  26 o 39.025  2.3295 12.079   1.4187  11.564   1.8552  12.803   2.2016  37.999  3.1425 39.880  3.5589 -1.881355      4.747704 
1 1 1 21 8  27 o 56.686  1.8444 25.323   1.6391  26.847   2.2075  23.450   2.4469  58.256  2.4172 54.266  2.8866 3.989330       3.765054 
1 1 1 21 8  28 o 8.7186  3.9840 -0.7645  1.2157  0.4437   1.6591  -2.1654  1.7865  12.521  5.1811 9.3408  4.4459 3.180564       6.827168 
1 1 1 21 8  29 o 37.009  2.4215 10.887   1.3972  11.097   1.8513  10.608   2.1295  37.175  3.2082 36.162  3.8138 1.012474       4.983750 
1 1 1 21 8  30 o 72.429  1.7484 41.339   1.9852  39.619   2.7475  43.217   2.8717  70.717  2.4783 73.858  2.4802 -3.141426      3.506193 
1 1 1 21 8  31 o 48.861  2.0204 18.852   1.5476  18.735   2.0556  19.004   2.3512  48.494  2.7149 48.726  3.0941 -0.2318573     4.116338 
1 1 1 21 8  32 o 43.848  2.1788 15.205   1.4977  14.734   2.0457  15.750   2.1987  42.875  3.0638 44.295  3.1876 -1.420353      4.421289 
1 1 1 21 8  33 o 93.957  1.6496 69.566   2.4298  70.489   3.1291  68.163   3.8561  94.417  2.1140 92.613  2.6560 1.803825       3.394612 
1 1 1 21 8  34 o 20.651  4.1229 3.5709   1.2880  3.9464   1.6580  2.9994   2.0453  21.489  5.0134 18.918  6.0790 2.571295       7.879664 
1 1 1 21 8  35 o 36.775  2.4114 10.778   1.3825  11.871   1.8786  9.4855   2.0419  38.388  3.1494 34.035  3.8972 4.352661       5.010671 
1 1 1 21 8  36 o 50.365  1.9366 20.052   1.5290  20.341   2.0231  19.667   2.3351  50.505  2.5636 49.494  3.0240 1.010578       3.964461 
1 1 1 21 8  37 o 29.535  2.9449 7.0433   1.3454  5.4155   1.7777  9.2258   2.0583  25.296  4.6543 33.465  4.0029 -8.168812      6.138865 
1 1 1 21 8  38 o 18.576  4.3524 2.9383   1.2453  1.5431   1.6606  4.7309   1.8823  14.741  5.4410 23.357  5.2664 -8.615414      7.572312 
1 1 1 21 8  39 o 16.754  4.6559 2.3994   1.2668  3.2070   1.7267  1.4579   1.8643  19.191  5.4721 14.912  5.7078 4.279120       7.907124 
1 1 1 21 8  40 o 17.179  4.5342 2.5333   1.2390  -0.4304  1.6049  6.9056   1.9493  10.663  4.7500 28.597  4.4965 -17.93387      6.540733 
1 1 1 21 8  41 f 31.554  2.8044 8.0445   1.3728  9.0592   1.8362  6.7588   2.0670  33.199  3.5851 28.069  4.8742 5.130367       6.050710 
1 1 1 21 8  42 o 9.4881  4.2591 -0.4714  1.3169  -2.1543  1.7227  1.8950   2.0427  8.9738  4.2970 16.028  6.0110 -7.054649      7.388926 
1 1 1 21 8  43 o 30.448  3.0391 7.5577   1.4313  9.6104   2.0709  5.6805   1.9804  33.942  3.9668 25.454  5.1400 8.487532       6.492694 
1 1 1 21 8  44 o 7.0224  3.4404 -2.3596  1.2798  -3.1706  1.7768  -1.4852  1.8450  8.2783  4.0553 10.044  4.6990 -1.765306      6.206964 
1 1 1 21 8  45 o 30.387  3.0877 7.5665   1.4504  10.155   2.1156  5.2706   1.9924  34.800  3.9479 24.248  5.3818 10.55160       6.674570 
1 1 1 21 8  46 o 9.1382  4.2269 -0.9521  1.4278  0.2731   1.9352  -2.4158  2.1152  12.584  5.4180 9.9621  4.7679 2.622079       7.217177 
1 1 1 21 8  47 o 10.564  4.6342 -0.0995  1.4723  -1.2580  1.8883  1.6968   2.3514  10.353  4.8139 15.789  6.3015 -5.436043      7.929802 
1 1 1 21 8  48 o 10.226  4.5372 -0.2422  1.4498  0.2506   1.8455  -1.0366  2.3433  12.231  5.2784 11.891  5.4696 0.3402205      7.601152 
1 1 1 21 8  49 o 35.178  3.2422 10.247   1.7679  11.263   2.4318  9.1077   2.5746  36.133  4.3828 31.756  5.3626 4.376831       6.925752 
1 1 1 21 8  50 o 12.733  5.0227 1.0286   1.4779  0.1276   2.1195  1.8813   2.0618  12.673  5.5598 15.553  5.9903 -2.879493      8.172779 
1 1 1 21 8  51 o 39.632  2.7919 12.849   1.7235  14.979   2.6106  11.203   2.2947  41.899  4.0241 36.120  4.1265 5.778599       5.763797 
1 1 1 21 8  52 o 25.693  4.0571 5.7129   1.5799  4.1223   2.3900  6.9473   2.1055  20.441  6.5716 27.733  5.0280 -7.291870      8.274503 
1 1 1 21 8  53 o 21.706  5.0253 4.3182   1.6762  5.5548   2.7860  3.6166   2.0985  23.213  7.0417 19.344  6.1515 3.868986       9.350171 
1 1 1 21 8  54 o 20.753  4.8896 3.9414   1.5646  2.7541   2.3463  4.8921   2.0996  17.365  6.4560 22.516  5.8832 -5.150225      8.734572 
1 1 1 21 8  55 o 9.1592  4.3716 -1.8225  1.7527  0.2623   2.6894  -3.3615  2.3107  13.864  6.1641 9.6103  4.6899 4.253304       7.745399 
1 1 1 21 8  56 o 33.658  3.4292 9.5810   1.7841  9.3819   2.5049  9.7860   2.5418  31.897  5.1877 32.631  5.1387 -0.7339039     7.301979 
1 1 1 21 8  57 o 17.015  5.5700 2.7660   1.7126  1.5587   2.3056  4.2520   2.5580  14.865  6.1252 20.109  6.8128 -5.244801      9.161509 
1 1 1 21 8  58 o 22.023  4.9906 4.5663   1.6831  4.2560   2.1732  5.0316   2.6607  20.326  6.2301 21.482  6.9367 -1.156656      9.323766 
1 1 1 21 8  59 o 14.179  5.1675 1.7856   1.4909  2.8447   2.1074  0.7245   2.1095  16.899  6.1460 13.014  5.6296 3.885317       8.334583 
1 1 1 21 8  60 o 18.499  5.1170 3.3543   1.5339  5.0620   2.3118  2.0111   2.0502  21.624  6.3813 14.986  5.9145 6.637704       8.700759 
1 1 1 21 9  0  o 71.076  2.4511 39.861   2.7238  39.861   2.7238  39.861   2.7238  71.076  2.4511 71.076  2.4511 0.000000       0.000000 
1 1 1 21 9  1  o 86.912  1.6448 59.412   2.2410  60.118   3.2167  58.746   3.1239  87.271  2.3512 86.280  2.3096 0.9906998      3.295750 
1 1 1 21 9  2  o 49.996  2.0674 19.699   1.6203  18.425   2.2929  20.970   2.2901  48.105  3.0564 51.381  2.8544 -3.276218      4.181985 
1 1 1 21 9  3  o 76.558  1.7689 46.125   2.1230  52.069   3.2845  41.859   2.7823  81.159  2.5815 72.802  2.4379 8.357391       3.550702 
1 1 1 21 9  4  o 45.278  2.2990 16.219   1.6265  17.651   2.1719  14.390   2.4544  47.101  2.9564 42.313  3.7386 4.787781       4.766254 
1 1 1 21 9  5  o 53.404  2.2543 22.501   1.8873  21.726   2.3328  23.971   3.2108  52.297  2.8562 54.680  3.7687 -2.382061      4.728751 
1 1 1 21 9  6  o 28.849  4.1301 6.7929   1.8146  5.4756   2.1408  10.154   3.4195  25.477  5.5197 34.553  6.5526 -9.075432      8.567586 
1 1 1 21 9  7  o 83.952  2.1444 55.575   2.8222  56.316   3.4048  53.950   5.0451  84.398  2.5734 82.143  3.9178 2.254822       4.687398 
1 1 1 21 9  8  o 34.632  3.7132 9.6749   1.9845  8.8691   2.4050  11.395   3.5134  32.825  4.8169 36.728  6.3306 -3.903496      7.954764 
1 1 1 21 9  9  o 36.613  3.5925 10.784   2.0354  10.413   2.4922  11.528   3.5274  35.695  4.5577 36.945  6.3175 -1.250172      7.789953 
1 1 1 21 9  10 o 76.852  2.1493 46.582   2.5894  48.861   3.6715  44.326   3.6527  78.486  2.9840 74.714  3.1185 3.771545       4.316181 
1 1 1 21 9  11 o 23.542  4.1429 4.5670   1.4732  5.5306   2.0510  3.5400   2.1173  25.652  5.2764 20.549  6.1175 5.102974       8.078642 
1 1 1 21 9  12 o 70.490  1.9607 39.152   2.1667  40.722   3.0218  37.491   3.1084  71.724  2.6875 68.769  2.8833 2.955383       3.941597 
1 1 1 21 9  13 o 19.494  5.1143 3.1981   1.5824  8.5997   2.4993  -0.4162  2.0444  32.187  5.1250 12.367  5.4422 19.81964       7.475493 
1 1 1 21 9  14 o 52.989  2.0275 22.136   1.6843  24.103   2.1623  19.103   2.6857  55.210  2.4983 48.819  3.5331 6.391136       4.327138 
1 1 1 21 9  15 o 30.081  2.8855 7.2402   1.3440  8.7180   1.8178  5.4581   1.9961  32.866  3.5864 25.485  5.1729 7.380541       6.294518 
1 1 1 21 9  16 o 26.957  3.3183 5.8693   1.3727  7.1474   1.9661  4.6539   1.9174  29.496  4.3856 23.452  5.3355 6.043863       6.906588 
1 1 1 21 9  17 o 19.403  4.1682 3.1359   1.2300  3.2846   1.6435  2.9464   1.8546  19.726  5.2298 18.841  5.7520 0.8849220      7.774063 
1 1 1 21 9  18 f 58.623  1.8431 27.074   1.6939  26.562   2.2624  27.729   2.5552  57.944  2.4906 59.142  2.7560 -1.198196      3.714651 
1 1 1 21 9  19 o 96.304  1.6321 72.991   2.4640  73.515   3.4431  72.442   3.5277  96.464  2.2768 95.733  2.3506 0.7311249      3.272505 
1 1 1 21 9  20 o 59.685  1.9036 28.080   1.7811  31.572   2.5406  24.703   2.4978  63.143  2.5665 55.712  2.8697 7.431026       3.849950 
1 1 1 21 9  21 o 65.682  1.7863 33.987   1.8393  32.786   2.5375  35.317   2.6699  64.352  2.5153 66.780  2.5503 -2.427597      3.582029 
1 1 1 21 9  22 o 19.120  4.4672 3.0711   1.3148  3.0028   1.8331  3.1434   1.8870  18.936  5.7046 19.337  5.7796 -0.4012470     8.120725 
1 1 1 21 9  23 o 18.124  4.5598 2.7647   1.2944  3.1775   1.8199  2.3421   1.8414  19.392  5.6448 17.201  5.7806 2.191202       8.079513 
1 1 1 21 9  24 o 38.102  2.4582 11.543   1.4605  11.305   2.0343  11.797   2.0980  37.430  3.5077 38.234  3.5405 -0.8036346     4.983926 
1 1 1 21 9  25 o 39.211  2.5603 12.241   1.5652  12.001   2.0555  12.571   2.4146  38.587  3.4339 39.320  3.9716 -0.7333450     5.250243 
1 1 1 21 9  26 o 40.265  2.4147 12.887   1.5172  14.987   2.1357  10.749   2.1556  43.222  3.1742 36.361  3.8396 6.860855       4.981806 
1 1 1 21 9  27 o 53.974  1.9982 23.006   1.6907  25.761   2.4310  20.425   2.3530  56.933  2.7237 50.542  2.9830 6.390995       4.039416 
1 1 1 21 9  28 o 83.731  1.6963 55.262   2.2267  54.518   3.0942  56.060   3.2067  82.943  2.3797 84.087  2.4326 -1.144196      3.403047 
1 1 1 21 9  29 o 73.849  1.7526 43.013   2.0290  46.467   2.8877  39.646   2.8515  76.548  2.4064 70.648  2.5746 5.900017       3.524144 
1 1 1 21 9  30 o 37.482  2.6373 11.226   1.5398  10.033   2.2058  12.359   2.1504  34.952  4.1038 39.046  3.5520 -4.094185      5.427513 
1 1 1 21 9  31 o 12.904  4.7597 1.1281   1.2703  2.4011   1.8249  -0.0688  1.7694  17.190  5.7547 11.873  5.1461 5.317005       7.720071 
1 1 1 21 9  32 o 51.940  2.0574 21.350   1.6752  21.002   2.3437  21.715   2.3954  51.182  2.9333 52.041  2.9482 -0.8584900     4.158849 
1 1 1 21 9  33 o 33.390  2.9229 8.9808   1.5145  7.5919   1.9770  10.954   2.3564  30.202  4.2967 36.410  4.2057 -6.208408      6.012425 
1 1 1 21 9  34 o 41.909  2.4252 14.014   1.5865  12.913   2.1246  15.403   2.3854  39.869  3.4327 43.527  3.5262 -3.658283      4.921103 
1 1 1 21 9  35 o 18.716  4.5381 3.0021   1.3177  6.0162   1.9023  0.2216   1.8271  26.598  4.7359 12.455  5.3109 14.14276       7.115789 
1 1 1 21 9  36 o 26.383  3.2288 5.6886   1.3076  6.6009   1.7826  4.6262   1.9238  28.090  4.1751 22.961  5.4298 5.129082       6.849360 
1 1 1 21 9  37 o 22.083  3.8200 4.0835   1.2746  5.0587   1.7015  2.8365   1.9241  24.316  4.6328 18.168  5.9019 6.147408       7.502963 
1 1 1 21 9  38 o 19.121  4.2892 3.1341   1.2540  2.3331   1.7029  4.0829   1.8536  16.673  5.5590 21.456  5.4886 -4.782740      7.811943 
1 1 1 21 9  39 o 33.153  2.8183 8.8952   1.4508  10.090   2.0720  7.7461   2.0322  34.867  3.8552 30.239  4.4171 4.627960       5.862841 
1 1 1 21 9  40 o 23.543  3.7249 4.6446   1.3290  6.1989   1.8116  2.8332   1.9557  26.941  4.4443 18.021  5.9547 8.919489       7.430409 
1 1 1 21 9  41 o 34.690  2.7558 9.7482   1.4863  10.403   1.9019  8.7207   2.3823  35.521  3.4593 31.694  4.9572 3.827166       6.044889 
1 1 1 21 9  42 o 31.969  2.8045 8.3102   1.3913  10.306   1.9052  6.0302   2.0366  35.294  3.4890 26.082  5.1637 9.212204       6.231911 
1 1 1 21 9  43 o 22.525  3.9152 4.3235   1.3323  4.2832   1.7920  4.3733   1.9922  21.773  5.3000 21.794  5.7484 -0.2098274E-01 7.818779 
1 1 1 21 9  44 o 17.109  4.7637 2.6008   1.3248  2.0440   1.7466  3.3552   2.0331  15.681  5.6093 19.059  6.0542 -3.377285      8.253313 
1 1 1 21 9  45 o 32.789  2.8434 8.7924   1.4471  8.4801   1.8884  9.2367   2.2524  31.642  3.8889 32.630  4.5251 -0.9885139     5.966600 
1 1 1 21 9  46 o 43.224  2.2931 15.047   1.5483  12.990   2.0297  17.911   2.3945  39.587  3.3007 46.518  3.3050 -6.930912      4.670975 
1 1 1 21 9  47 f 21.453  4.2486 4.0324   1.3783  1.8661   1.7581  7.4863   2.2200  15.127  5.5954 28.840  5.0966 -13.71375      7.568659 
1 1 1 21 9  48 o 10.882  4.6483 0.2560   1.4041  0.4976   1.9877  0.0153   1.9837  12.863  5.5134 12.125  5.3472 0.7372427      7.680483 
1 1 1 21 9  49 o 36.151  3.0287 10.800   1.7006  10.013   2.5196  11.459   2.3048  33.427  4.9586 36.491  4.1000 -3.063896      6.434059 
1 1 1 21 9  50 o 22.227  4.8337 4.4846   1.6363  3.8648   2.4085  5.0160   2.2299  19.758  6.6112 22.665  6.1287 -2.907890      9.014959 
1 1 1 21 9  51 o 12.649  5.2972 0.7278   1.7641  -0.2705  2.2741  2.2362   2.7953  12.383  5.5743 16.783  6.8095 -4.400159      8.800123 
1 1 1 21 9  52 o 11.201  4.9408 -0.0116  1.6947  0.5574   2.1476  -0.9506  2.7589  13.173  5.6895 12.705  5.8764 0.4684668      8.179365 
1 1 1 21 9  53 o 19.969  5.6394 3.8525   1.8430  3.0793   2.1610  5.9151   3.5296  17.841  6.2533 22.741  7.9905 -4.900141      10.14656 
1 1 1 21 9  54 f 36.079  3.1485 10.901   1.7629  11.380   2.3483  10.284   2.6686  35.963  4.2474 33.211  5.3041 2.751610       6.795123 
1 1 1 21 9  55 o 31.787  3.6771 8.7091   1.7985  7.4644   2.5395  9.9617   2.5475  27.366  6.0776 32.712  5.1369 -5.346220      7.957662 
1 1 1 21 9  56 o 11.882  4.9642 0.7158   1.5441  0.0424   2.2210  1.3459   2.1482  12.349  5.5382 14.112  5.8722 -1.763007      8.071773 
1 1 1 21 9  57 o 16.101  5.6317 2.5310   1.7523  1.6613   2.8448  3.0628   2.2244  15.275  6.5728 17.268  6.3091 -1.993458      9.110759 
1 1 1 21 9  58 o 24.806  4.2124 5.6083   1.5795  6.1563   2.6055  5.2899   1.9860  23.409  6.7368 22.863  5.5882 0.5456867      8.752891 
1 1 1 21 10 0  o 57.153  4.1615 26.266   3.6831  26.266   3.6831  26.266   3.6831  57.153  4.1615 57.153  4.1615 0.000000       0.000000 
1 1 1 21 10 1  o 36.110  3.5676 10.510   1.9931  11.265   3.1791  10.022   2.5584  36.652  5.7197 34.866  4.8086 1.785812       7.472484 
1 1 1 21 10 2  o 22.291  6.0603 4.2468   2.1735  9.2831   5.4039  3.2749   2.3739  31.807  9.8368 20.022  6.5581 11.78526       11.82251 
1 1 1 21 10 3  o 32.301  4.7182 8.6086   2.3187  3.8529   4.7049  10.134   2.6648  23.493  9.0489 34.995  4.9995 -11.50183      10.33812 
1 1 1 21 10 4  o 33.922  3.5350 9.2824   1.8522  10.897   3.5667  8.6861   2.1674  35.653  6.6254 32.564  4.3547 3.088871       7.928369 
1 1 1 21 10 5  o 19.126  5.3009 3.0822   1.6444  2.6771   3.2999  3.2160   1.8967  19.987  7.6072 19.568  5.7817 0.4194489      9.555023 
1 1 1 21 10 6  o 12.346  4.9879 0.6024   1.4929  2.7201   2.4230  -0.6933  1.8953  18.846  6.6206 11.467  5.1311 7.379051       8.376205 
1 1 1 21 10 7  o 25.361  4.4272 5.3297   1.6961  4.8813   2.6570  5.6381   2.2035  23.782  6.7905 25.750  5.6168 -1.967976      8.812427 
1 1 1 21 10 8  f 26.323  3.9963 5.6804   1.5972  3.6650   2.7251  6.7351   1.9714  21.134  7.0315 28.538  4.5599 -7.404310      8.380591 
1 1 1 21 10 9  o 23.710  4.1761 4.6483   1.4955  4.7026   2.3114  4.6091   1.9614  23.383  6.2033 23.275  5.4684 0.1084061      8.269473 
1 1 1 21 10 10 o 47.678  2.3066 17.967   1.7240  21.231   2.6589  15.599   2.2645  51.502  3.3108 44.118  3.2980 7.383942       4.673195 
1 1 1 21 10 11 o 93.223  1.7565 68.453   2.5669  66.773   3.8388  69.812   3.4523  91.780  2.6680 93.966  2.3436 -2.185539      3.551175 
1 1 1 21 10 12 o 34.292  2.8050 9.3938   1.4947  7.5753   2.2045  10.941   2.0335  30.197  4.8190 36.825  3.5673 -6.627918      5.995660 
1 1 1 21 10 13 o 50.912  2.2241 20.481   1.7752  22.095   2.7006  19.253   2.3556  52.532  3.2960 49.092  3.0763 3.439926       4.508567 
1 1 1 21 10 14 o 123.216 1.7450 119.601  3.3707  115.411  4.9381  123.256  4.6123  120.665 2.6105 124.827 2.3570 -4.162392      3.517099 
1 1 1 21 10 15 o 33.446  2.9995 8.9684   1.5560  11.018   2.3184  7.2890   2.0989  36.771  4.0913 29.637  4.6724 7.134747       6.210430 
1 1 1 21 10 16 o 106.403 1.7362 89.200   2.8961  86.772   4.3048  91.207   3.9145  104.602 2.6252 107.376 2.3255 -2.774284      3.507057 
1 1 1 21 10 17 o 71.455  1.7201 40.227   1.9269  43.176   2.6775  37.059   2.7752  73.876  2.3119 68.363  2.5895 5.513062       3.471372 
1 1 1 21 10 18 o 66.682  1.7395 35.040   1.8184  34.428   2.4259  35.826   2.7473  65.952  2.3463 67.202  2.6078 -1.249443      3.507943 
1 1 1 21 10 19 f 29.571  2.9032 7.0226   1.3285  7.8766   1.7865  5.9661   1.9870  31.102  3.7390 26.630  4.9417 4.472620       6.196855 
1 1 1 21 10 20 o 75.525  1.6722 44.943   1.9799  44.622   2.6635  45.339   2.9597  75.094  2.2626 75.618  2.4968 -0.5235825     3.369411 
1 1 1 21 10 21 o 43.836  2.1779 15.198   1.4967  14.014   1.9672  16.825   2.3062  41.818  3.0210 45.770  3.2349 -3.951225      4.426232 
1 1 1 21 10 22 o 55.903  1.8624 24.662   1.6322  28.249   2.2807  20.896   2.3369  59.687  2.4374 51.126  2.9278 8.560886       3.809616 
1 1 1 21 10 23 o 68.737  1.7075 37.252   1.8400  34.269   2.4504  41.109   2.7862  65.748  2.3773 71.980  2.4692 -6.231384      3.427605 
1 1 1 21 10 24 o 55.923  1.8576 24.688   1.6285  26.535   2.2377  22.609   2.3744  57.819  2.4687 53.186  2.8583 4.633183       3.776835 
1 1 1 21 10 25 o 11.582  4.6265 0.6148   1.2687  0.1518   1.6608  1.2637   1.9659  11.904  5.0693 14.845  5.8123 -2.941494      7.712425 
1 1 1 21 10 26 f 48.045  2.0671 18.265   1.5569  17.336   2.0265  19.602   2.4321  46.551  2.7898 49.371  3.1589 -2.820488      4.214474 
1 1 1 21 10 27 o 57.928  1.8592 26.512   1.6884  27.511   2.2943  25.331   2.4936  58.827  2.4879 56.263  2.8362 2.564056       3.772770 
1 1 1 21 10 28 o 21.804  3.9762 3.9738   1.3090  3.5202   1.7411  4.5636   1.9853  20.145  5.4021 22.868  5.5858 -2.723560      7.770710 
1 1 1 21 10 29 o 24.098  3.5879 4.7887   1.3141  6.7971   1.8017  2.5057   1.9208  28.589  4.1405 17.466  5.9038 11.12245       7.211024 
1 1 1 21 10 30 o 44.514  2.2929 15.783   1.5946  15.414   2.1951  16.196   2.3203  43.650  3.2309 44.703  3.3349 -1.053951      4.643330 
1 1 1 21 10 31 o 28.977  3.0905 6.8210   1.3823  5.2897   1.7995  9.0250   2.1588  24.864  4.7904 32.891  4.2889 -8.027351      6.429777 
1 1 1 21 10 32 o 30.683  2.8609 7.6101   1.3602  6.7516   1.8177  8.7027   2.0505  28.387  4.2125 32.324  4.1419 -3.937412      5.907669 
1 1 1 21 10 33 o 9.6536  4.2715 -0.2892  1.2764  -0.7566  1.7156  0.2902   1.9103  10.561  4.7897 12.748  5.4330 -2.186972      7.242851 
1 1 1 21 10 34 o 30.118  2.9731 7.3691   1.3854  7.6596   1.8605  7.0074   2.0757  30.290  4.0173 28.589  4.8017 1.700912       6.260581 
1 1 1 21 10 35 o 52.265  1.9707 21.682   1.6147  21.654   2.1503  21.717   2.4449  51.908  2.6514 51.792  3.0244 0.1161079      4.022051 
1 1 1 21 10 36 o 34.079  2.7928 9.4027   1.4789  10.788   2.0555  7.9158   2.1293  36.111  3.6826 30.427  4.6083 5.683706       5.899030 
1 1 1 21 10 37 o 8.8414  4.0518 -0.7394  1.2696  -2.2235  1.6956  1.1545   1.9155  8.7709  4.2164 14.175  5.6769 -5.404121      7.071418 
1 1 1 21 10 38 o 22.466  4.0482 4.3066   1.3733  3.9540   1.9033  4.6896   1.9835  20.844  5.6729 22.735  5.6016 -1.890648      7.972447 
1 1 1 21 10 39 o 15.304  4.8246 2.0207   1.2930  3.3451   1.7305  0.3466   1.9455  19.213  5.4780 12.730  5.4556 6.483015       7.731212 
1 1 1 21 10 40 o 15.292  4.9192 2.0209   1.3390  2.4104   1.7637  1.4910   2.0574  16.629  5.6570 14.943  5.9161 1.686523       8.185467 
1 1 1 21 10 41 o 14.633  4.8803 1.8223   1.3125  0.7592   1.7203  3.3030   2.0303  12.802  5.2848 18.882  6.0555 -6.079880      8.037319 
1 1 1 21 10 42 o 36.767  2.6043 10.980   1.4914  10.516   1.9663  11.607   2.2884  35.433  3.5895 36.953  4.0150 -1.520065      5.385578 
1 1 1 21 10 43 o 36.725  2.6101 10.970   1.4929  11.074   1.9755  10.831   2.2796  36.379  3.5073 35.521  4.1733 0.8584671      5.451416 
1 1 1 21 10 44 o 14.318  5.0707 1.7096   1.4239  0.7086   1.9665  2.8125   2.0643  13.168  5.5577 17.517  6.1134 -4.349053      8.262023 
1 1 1 21 10 45 o 33.246  3.2129 9.1998   1.6537  10.967   2.1610  6.7030   2.5687  35.843  3.9094 26.217  6.3232 9.625660       7.434097 
1 1 1 21 10 46 o 28.691  3.8243 7.0503   1.6773  6.0783   2.3041  8.1459   2.4462  25.167  5.9363 29.664  5.4616 -4.497070      8.066547 
1 1 1 21 10 47 o 37.626  3.1876 11.789   1.8626  10.865   2.3738  13.269   3.0044  35.213  4.3960 38.252  5.1402 -3.039089      6.763576 
1 1 1 21 10 48 o 26.418  4.2236 6.1250   1.6902  5.1106   2.2475  7.4457   2.5645  22.762  6.1519 27.709  6.0716 -4.946539      8.643473 
1 1 1 21 10 49 o 16.965  5.5844 2.6989   1.7206  4.5082   2.4905  1.0469   2.3798  20.956  6.7054 14.316  6.0817 6.639959       9.052553 
1 1 1 21 10 50 o 23.379  4.5393 4.9273   1.6037  4.6668   2.3305  5.1616   2.2102  21.409  6.4284 22.809  6.0732 -1.399988      8.843469 
1 1 1 21 10 51 f 16.170  5.3656 2.4426   1.5872  -0.0383  2.3291  4.5938   2.1688  12.635  5.6683 21.350  6.1470 -8.715821      8.361537 
1 1 1 21 10 52 o 30.162  3.4700 7.7728   1.6109  6.4020   2.2679  9.1687   2.2885  25.538  5.7973 31.725  4.7473 -6.186987      7.493077 
1 1 1 21 10 53 o 11.353  4.8106 0.5137   1.4827  0.7837   2.0517  0.2185   2.1452  13.058  5.5993 12.429  5.5166 0.6292133      7.860352 
1 1 1 21 10 54 o 18.907  5.1092 3.4653   1.5503  3.5827   2.1534  3.3390   2.2338  18.496  6.2511 17.900  6.3499 0.5958862      8.910477 
1 1 1 21 10 55 o 10.966  4.7428 0.3527   1.4966  1.0188   2.0886  -0.3502  2.1455  13.280  5.6708 11.541  5.2808 1.739264       7.748860 
1 1 1 21 11 0  o 9.8230  6.2119 0.3680   2.0500  0.3680   2.0500  0.3680   2.0500  9.8230  6.2119 9.8230  6.2119 0.000000       0.000000 
1 1 1 21 11 1  o 25.901  3.6645 5.4822   1.4464  6.4124   2.0795  4.6102   2.0133  27.626  4.9850 23.177  5.6030 4.449123       7.499590 
1 1 1 21 11 2  o 28.985  3.2473 6.7876   1.4502  6.0840   2.0193  7.5372   2.0840  26.896  4.9721 30.160  4.5493 -3.263268      6.739278 
1 1 1 21 11 3  o 26.450  3.5548 5.7005   1.4367  6.8249   2.0723  4.6599   1.9936  28.585  4.7941 23.315  5.5367 5.270391       7.323858 
1 1 1 21 11 4  f 58.808  2.1110 27.325   1.9462  28.146   2.9775  26.713   2.5716  59.293  3.2153 57.962  2.8301 1.330791       4.283380 
1 1 1 21 11 5  f 62.904  1.8919 31.216   1.8656  33.390   2.6192  28.978   2.6581  64.880  2.5751 60.374  2.8084 4.505917       3.810309 
1 1 1 21 11 6  o 58.547  1.9380 27.051   1.7787  27.387   2.4931  26.703   2.5385  58.720  2.7083 57.958  2.7939 0.7624168      3.891066 
1 1 1 21 11 7  o 59.436  1.9883 27.890   1.8526  25.393   2.5641  30.618   2.6796  56.411  2.9094 62.070  2.7538 -5.659279      4.005971 
1 1 1 21 11 8  o 32.565  2.9489 8.5111   1.4891  9.4566   2.0289  7.4069   2.1925  34.067  3.8675 29.760  4.8678 4.306658       6.217180 
1 1 1 21 11 9  o 43.716  2.5036 15.202   1.7086  13.392   2.2467  17.686   2.6315  40.713  3.5557 46.806  3.6143 -6.092808      5.070138 
1 1 1 21 11 10 o 38.193  2.8467 11.669   1.6922  13.065   2.1437  9.3609   2.7564  40.247  3.4304 33.267  5.4759 6.979847       6.461669 
1 1 1 21 11 11 o 41.236  3.1036 13.645   1.9916  15.097   2.8916  12.335   2.7470  42.920  4.3581 38.648  4.6259 4.271435       6.355448 
1 1 1 21 11 12 o 41.151  2.8482 13.543   1.8261  12.865   2.3891  14.495   2.8321  39.765  3.8819 42.036  4.3612 -2.270760      5.838583 
1 1 1 21 11 13 o 16.175  5.2989 2.1116   1.5498  3.5734   2.0672  0.2353   2.3421  20.403  6.0381 14.052  6.0029 6.350556       8.514287 
1 1 1 21 11 14 o 16.776  5.1722 2.3398   1.4953  2.2760   2.0080  2.4192   2.2403  17.159  6.0271 17.792  6.3541 -0.6324100     8.757845 
1 1 1 21 11 15 o 31.518  3.2373 8.0300   1.5768  6.6990   2.1767  9.4998   2.2874  28.118  5.1271 33.901  4.4083 -5.783144      6.761679 
1 1 1 21 11 16 o 40.028  3.0250 12.866   1.8842  11.837   2.9848  13.547   2.4295  37.521  5.2154 40.789  3.8448 -3.267357      6.479428 
1 1 1 21 11 17 o 16.942  5.3408 2.3840   1.5846  3.4589   2.5650  1.7205   2.0150  20.309  6.8224 15.898  5.9686 4.411092       9.064733 
1 1 1 21 11 18 o 70.460  2.0323 39.263   2.2448  36.797   3.1793  41.714   3.1701  67.863  2.9885 72.341  2.7953 -4.477760      4.092023 
1 1 1 21 11 19 o 50.134  2.3949 19.952   1.8822  21.561   2.7396  18.514   2.5904  51.685  3.4001 47.846  3.4773 3.838509       4.863420 
1 1 1 21 11 20 o 43.309  2.3795 14.935   1.6093  14.205   2.3148  15.618   2.2389  41.831  3.5639 43.992  3.2698 -2.160946      4.836641 
1 1 1 21 11 21 o 43.004  2.3470 14.725   1.5763  17.531   2.2953  12.221   2.1686  46.651  3.1571 38.745  3.6119 7.905682       4.797205 
1 1 1 21 11 22 o 52.247  2.0589 21.616   1.6863  22.615   2.4118  20.660   2.3588  53.100  2.9083 50.717  2.9799 2.382614       4.163911 
1 1 1 21 11 23 o 25.796  3.5681 5.4718   1.4043  4.6723   1.9970  6.2538   1.9750  23.111  5.5761 27.132  4.8199 -4.020967      7.370536 
1 1 1 21 11 24 o 27.068  3.4659 6.0065   1.4369  7.8328   2.1029  4.4071   1.9679  30.539  4.5299 22.405  5.6143 8.134321       7.213945 
1 1 1 21 11 25 o 41.178  2.4685 13.552   1.5861  15.084   2.2627  12.072   2.2241  43.099  3.3759 38.373  3.7449 4.725716       5.041958 
1 1 1 21 11 26 o 8.7075  4.0327 -0.9817  1.3056  -1.1288  1.7752  -0.8083  1.9270  10.313  4.7499 11.227  5.0853 -0.9138746     6.958611 
1 1 1 21 11 27 o 36.778  2.5575 10.850   1.4654  12.714   1.9991  8.6856   2.1543  39.558  3.2525 32.169  4.3863 7.389263       5.460628 
1 1 1 21 11 28 o 29.742  3.0622 7.1954   1.4073  8.3701   1.9206  5.8332   2.0681  31.743  3.9446 25.843  5.2832 5.900349       6.593378 
1 1 1 21 11 29 o 33.078  2.7359 8.8302   1.4060  8.3867   1.8991  9.3682   2.0915  31.770  3.8947 33.519  4.0632 -1.749063      5.628367 
1 1 1 21 11 30 o 24.206  3.8640 4.9142   1.4169  4.8863   1.9793  4.9436   2.0293  23.445  5.4830 23.541  5.5834 -0.9555435E-01 7.825485 
1 1 1 21 11 31 o 63.508  1.8063 31.962   1.7983  34.602   2.4915  29.091   2.5983  65.797  2.4155 60.156  2.7552 5.641323       3.664109 
1 1 1 21 11 32 o 11.888  4.6838 0.7939   1.2838  -1.3530  1.6982  3.6569   1.9611  9.6875  4.5245 20.105  5.8616 -10.41805      7.404707 
1 1 1 21 11 33 o 22.417  3.9572 4.2675   1.3398  5.0000   1.8105  3.3809   1.9919  23.815  5.0083 19.328  5.9714 4.486828       7.793641 
1 1 1 21 11 34 o 25.819  3.4601 5.5488   1.3652  6.2235   1.8136  4.6665   2.0740  26.885  4.4593 22.549  5.8256 4.336283       7.336421 
1 1 1 21 11 35 o 13.708  4.9562 1.4541   1.3675  1.7799   1.7585  0.9556   2.1752  15.120  5.5955 14.250  5.9175 0.8700447      8.144084 
1 1 1 21 11 36 o 13.239  4.9234 1.2929   1.3648  1.3431   1.8917  1.2384   1.9709  14.347  5.6753 14.293  5.7462 0.5480671E-01  8.076341 
1 1 1 21 11 37 o 18.126  4.9251 2.9534   1.4360  3.6970   2.0509  2.2383   2.0112  19.854  6.0459 16.353  5.9954 3.500547       8.514580 
1 1 1 21 11 38 o 8.7926  4.1316 -1.2571  1.4529  -0.0433  2.1421  -2.2912  1.9771  12.525  5.5382 9.5603  4.5845 2.964535       7.189539 
1 1 1 21 11 39 o 22.520  4.5831 4.5010   1.5630  5.1371   2.2396  3.8972   2.1822  23.158  6.0885 20.141  6.2547 3.017265       8.728724 
1 1 1 21 11 40 o 26.499  4.3823 6.1502   1.7569  3.9103   2.2618  9.5573   2.7895  20.057  6.3871 32.049  5.7641 -11.99157      8.603518 
1 1 1 21 11 41 o 8.6737  4.1190 -1.5303  1.5163  -0.1638  1.9548  -3.5943  2.4025  11.769  5.2426 9.7622  4.7680 2.006784       7.086498 
1 1 1 21 11 42 f 10.707  4.7089 -0.0380  1.5287  2.0790   2.0186  -2.8855  2.3410  15.754  5.9608 10.071  4.8692 5.683403       7.696773 
1 1 1 21 11 43 f 11.961  5.1215 0.4127   1.7118  -1.7703  2.4867  2.3790   2.3601  11.341  5.3524 16.612  6.4059 -5.270901      8.347725 
1 1 1 21 11 44 o 44.561  2.8947 16.370   2.0112  22.301   3.3401  12.996   2.5190  50.665  4.2444 38.629  4.2288 12.03602       5.991478 
1 1 1 21 11 45 o 39.765  3.2274 13.221   1.9945  12.256   3.1292  13.882   2.5884  36.017  5.7344 39.916  4.1996 -3.898945      7.107736 
1 1 1 21 11 46 o 21.048  5.0614 4.1349   1.6495  3.3683   2.4871  4.7370   2.2041  18.441  6.6812 21.763  6.1744 -3.322742      9.097402 
1 1 1 21 11 47 o 17.157  5.4792 2.7984   1.6636  2.3606   2.4756  3.1589   2.2464  16.464  6.4987 17.937  6.3673 -1.472168      9.098088 
1 1 1 21 11 48 o 25.366  4.4169 5.7792   1.6926  5.3915   2.5221  6.0969   2.2831  22.656  6.6595 24.825  5.9450 -2.169870      8.927013 
1 1 1 21 11 49 o 22.690  5.0072 4.8395   1.7334  4.1862   2.4660  5.4775   2.4369  19.877  6.6895 22.878  6.4931 -3.000872      9.322576 
1 1 1 21 11 50 o 14.632  5.4135 1.9037   1.6458  3.2222   2.3038  0.5296   2.3519  17.757  6.4309 13.229  5.8287 4.527731       8.679271 
1 1 1 21 11 51 o 14.007  5.4120 1.6533   1.6870  1.1495   2.4854  2.0836   2.2974  14.180  6.1224 15.426  6.2032 -1.246792      8.715714 
1 1 1 21 11 52 o 10.429  4.6938 -0.1744  1.6111  -0.0650  2.3543  -0.2708  2.2096  12.309  5.5933 11.774  5.3766 0.5348396      7.758422 
1 1 1 21 11 53 f 29.069  3.9205 7.5692   1.7410  7.7763   2.5639  7.3920   2.3717  27.096  6.1735 26.826  5.8080 0.2707195      8.476170 
1 1 1 21 12 0  o 20.932  7.2126 4.5912   2.1305  4.5912   2.1305  4.5912   2.1305  20.932  7.2126 20.932  7.2126 0.000000       0.000000 
1 1 1 21 12 1  o 47.179  2.2900 17.647   1.6937  16.315   2.3975  18.974   2.3929  44.929  3.4299 48.578  3.1594 -3.649113      4.663304 
1 1 1 21 12 2  o 25.425  3.6262 5.3070   1.4043  7.1702   2.0270  3.5870   1.9475  29.286  4.5637 20.353  5.8142 8.932861       7.391398 
1 1 1 21 12 3  o 25.176  3.7784 5.2254   1.4452  7.6220   2.0660  2.9286   2.0225  30.236  4.4954 18.681  6.0494 11.55470       7.536801 
1 1 1 21 12 4  o 37.296  2.6324 11.122   1.5292  9.5264   2.1445  12.772   2.1812  34.019  4.1042 39.677  3.5441 -5.658157      5.422620 
1 1 1 21 12 5  o 12.970  4.9031 1.0673   1.3650  0.4110   1.8993  1.7684   1.9631  13.064  5.4850 15.881  5.9050 -2.816495      8.059442 
1 1 1 21 12 6  o 26.986  3.6844 5.9784   1.5179  6.0410   1.9574  5.8838   2.4042  26.713  4.8529 25.903  6.0329 0.8096333      7.742483 
1 1 1 21 12 7  o 10.723  4.5433 0.1475   1.3223  -0.3846  1.8870  0.6608   1.8535  11.758  5.1985 13.378  5.4999 -1.620461      7.567923 
1 1 1 21 12 8  o 12.559  4.7856 0.9686   1.3069  1.5613   1.8810  0.4155   1.8170  15.259  5.7588 12.825  5.3737 2.434196       7.876563 
1 1 1 21 12 9  o 35.472  2.7320 10.088   1.5075  10.706   2.1684  9.5108   2.0973  36.148  3.8877 34.001  4.0120 2.146328       5.586587 
1 1 1 21 12 10 o 8.5404  4.0072 -1.3020  1.3583  0.6423   2.0577  -2.8034  1.8082  13.867  5.7566 8.7783  4.2528 5.088702       7.157122 
1 1 1 21 12 11 o 73.406  1.7740 42.551   2.0414  41.915   2.8381  43.232   2.9386  72.595  2.4938 73.705  2.5432 -1.110207      3.561908 
1 1 1 21 12 12 o 11.787  4.7079 0.6557   1.3136  2.6429   1.8687  -1.2854  1.8468  17.789  5.8180 10.420  4.8154 7.369204       7.552293 
1 1 1 21 12 13 o 24.126  3.7603 4.8188   1.3758  6.1399   1.9640  3.5458   1.9279  26.884  4.8380 20.164  5.7927 6.720261       7.547331 
1 1 1 21 12 14 o 56.339  2.0422 25.137   1.8037  26.838   2.5954  23.549   2.5083  57.929  2.8580 54.146  2.9663 3.783096       4.119115 
1 1 1 21 12 15 o 61.910  1.9369 30.329   1.8799  32.664   2.7175  28.187   2.6033  63.960  2.7102 59.381  2.7965 4.578915       3.894353 
1 1 1 21 12 16 o 55.155  2.0186 24.096   1.7454  25.526   2.4959  22.728   2.4417  56.487  2.8185 53.180  2.9402 3.307625       4.072931 
1 1 1 21 12 17 o 29.852  3.1325 7.2387   1.4441  9.3570   2.0454  5.1332   2.0392  33.660  3.9514 24.217  5.4971 9.442991       6.769952 
1 1 1 21 12 18 o 18.694  4.7872 3.0161   1.4090  0.0145   1.9618  6.2141   2.0250  12.501  5.4185 26.910  4.9838 -14.40867      7.361930 
1 1 1 21 12 19 f 36.395  2.7460 10.657   1.5552  9.2814   2.1157  12.275   2.2940  33.411  4.1270 38.620  3.8399 -5.208839      5.637169 
1 1 1 21 12 20 o 13.807  4.9683 1.4160   1.3721  -0.2142  1.7914  3.7299   2.1343  11.607  5.1012 20.482  6.1522 -8.875554      7.991988 
1 1 1 21 12 21 f 20.209  4.8228 3.5442   1.5066  3.1923   1.9907  4.0160   2.3052  19.085  5.9816 21.136  6.4039 -2.050642      8.762932 
1 1 1 21 12 22 o 54.486  2.0950 23.581   1.7895  25.419   2.3185  20.871   2.8145  56.360  2.6241 50.516  3.5771 5.843468       4.436412 
1 1 1 21 12 23 o 73.735  1.9238 43.111   2.2237  41.895   2.9340  44.752   3.4087  72.353  2.5867 74.572  2.9158 -2.219383      3.897826 
1 1 1 21 12 24 o 54.908  2.2360 24.015   1.9247  26.085   2.5745  21.392   2.8980  56.850  2.8984 51.039  3.6460 5.810986       4.657673 
1 1 1 21 12 25 o 31.061  3.2510 7.9055   1.5596  7.2708   2.0521  8.7734   2.3996  29.135  4.6493 31.881  4.9626 -2.746243      6.800222 
1 1 1 21 12 26 o 34.067  3.0700 9.4630   1.6219  11.126   2.1571  7.3003   2.4601  36.591  3.8167 28.576  5.6915 8.015486       6.852799 
1 1 1 21 12 27 o 51.326  2.1825 21.005   1.7561  19.561   2.4377  22.562   2.5319  48.969  3.1929 52.675  3.0795 -3.706543      4.436036 
1 1 1 21 12 28 o 27.330  3.6066 6.2291   1.5075  10.818   2.1633  1.8967   2.1018  35.964  3.8994 15.945  6.0707 20.01861       7.215164 
1 1 1 21 12 29 o 37.087  2.8475 11.182   1.6429  11.521   2.1708  10.727   2.5136  37.155  3.7795 35.302  4.6556 1.853096       5.996605 
1 1 1 21 12 30 o 15.302  5.1254 1.9901   1.4476  3.6216   1.9096  -0.2142  2.2196  19.859  5.7826 12.616  5.6051 7.242551       8.053240 
1 1 1 21 12 31 o 28.182  3.5969 6.6548   1.5529  6.9459   2.0269  6.2412   2.4162  28.158  4.7616 25.844  6.0676 2.313679       7.712840 
1 1 1 21 12 32 o 31.143  3.4581 8.0873   1.6598  9.0708   2.1249  6.5484   2.6581  32.514  4.2723 26.087  6.5181 6.426716       7.793521 
1 1 1 21 12 33 f 26.838  4.1124 6.1926   1.6751  9.0444   2.1356  1.6330   2.7003  32.390  4.3131 16.070  6.6262 16.32000       7.906254 
1 1 1 21 12 34 f 9.3367  4.3597 -1.1677  1.5753  -0.7613  1.8231  -2.3654  3.1297  10.661  4.8743 12.520  5.9373 -1.859337      7.681863 
1 1 1 21 12 35 o 20.643  4.9344 3.8727   1.5752  3.6472   1.7889  4.6506   3.3228  19.736  5.5499 21.260  7.7195 -1.523260      9.507504 
1 1 1 21 12 36 o 20.138  5.6735 3.8411   1.8677  5.5925   2.6643  2.1489   2.6189  23.509  6.8259 16.588  6.6397 6.921829       9.522567 
1 1 1 21 12 37 o 10.641  4.7692 -0.3157  1.6443  -0.9888  2.2408  0.4697   2.4204  11.505  5.3125 13.692  5.9756 -2.186411      7.995689 
1 1 1 21 12 38 o 12.300  5.0546 0.7866   1.5647  2.6175   2.1625  -1.2250  2.2668  16.968  6.2175 11.299  5.2603 5.669475       8.144212 
1 1 1 21 12 39 o 11.465  4.9905 0.1809   1.6784  -1.5938  2.2947  2.2224   2.4611  10.985  5.1714 16.377  6.4748 -5.392265      8.286534 
1 1 1 21 12 40 o 29.635  3.6921 7.5164   1.6780  5.8409   2.2198  9.7504   2.5633  24.564  5.8486 32.572  5.1944 -8.007996      7.822247 
1 1 1 21 12 41 o 13.220  5.1954 1.2446   1.5757  1.2052   2.1764  1.2880   2.2843  14.183  5.9069 14.492  6.0447 -0.3082151     8.451596 
1 1 1 21 12 42 f 40.033  2.9296 13.282   1.8258  16.223   2.5158  10.008   2.6539  43.565  3.7194 32.758  5.3529 10.80714       6.518257 
1 1 1 21 12 43 o 48.380  2.5746 19.157   1.9457  19.915   2.6069  18.203   2.9234  48.531  3.4490 45.684  4.1265 2.846931       5.378059 
1 1 1 21 12 44 o 18.396  5.1227 3.2115   1.5320  4.3179   2.1453  2.0602   2.1884  20.635  6.1612 15.590  6.1239 5.045265       8.686912 
1 1 1 21 12 45 o 15.065  5.2504 2.0714   1.5224  0.9101   2.1925  3.1527   2.1156  13.575  5.8037 17.774  6.1897 -4.199206      8.484996 
1 1 1 21 12 46 o 15.661  5.3001 2.3092   1.5481  -0.0520  2.1698  4.7574   2.2094  12.136  5.4558 21.441  6.2133 -9.305051      8.268653 
1 1 1 21 12 47 f 16.975  5.2205 2.7939   1.5244  4.0421   2.1445  1.5188   2.1675  19.648  6.2153 14.365  5.9313 5.282603       8.591299 
1 1 1 21 12 48 o 9.0842  4.2706 -1.1013  1.5554  -1.0569  2.1817  -1.1473  2.2179  10.910  5.1062 10.910  5.1194 0.6999969E-03  7.230619 
1 1 1 21 12 49 o 32.464  3.3587 9.0868   1.6846  12.753   2.4472  5.7853   2.3224  37.558  4.2302 23.257  6.2402 14.30068       7.538862 
1 1 1 21 12 50 o 17.363  5.2429 3.0384   1.5470  2.8964   2.1389  3.1941   2.2403  16.578  6.1638 17.166  6.3225 -0.5884724     8.829862 
1 1 1 21 13 0  o 22.475  7.1371 5.1584   2.2132  5.1584   2.2132  5.1584   2.2132  22.475  7.1371 22.475  7.1371 0.000000       0.000000 
1 1 1 21 13 1  o 36.300  2.9828 10.648   1.6824  11.070   2.5309  10.314   2.2519  36.327  4.5436 35.235  4.1570 1.092396       6.158289 
1 1 1 21 13 2  o 39.408  2.5911 12.449   1.5918  13.057   2.3227  11.911   2.1858  39.886  3.7590 38.105  3.7060 1.781715       5.278692 
1 1 1 21 13 3  o 19.614  4.8841 3.3333   1.4961  0.1364   2.2867  5.7258   1.9782  13.561  5.8638 25.747  5.0815 -12.18594      7.759241 
1 1 1 21 13 4  o 57.510  2.0161 26.218   1.8176  25.435   2.5834  26.986   2.5578  56.218  2.9415 58.039  2.8112 -1.820618      4.068830 
1 1 1 21 13 5  o 45.313  2.3407 16.383   1.6571  18.510   2.3806  14.383   2.3080  47.817  3.1941 41.971  3.5409 5.846767       4.768672 
1 1 1 21 13 6  o 49.005  2.3355 19.114   1.7942  21.801   2.4536  16.027   2.6303  51.988  3.0237 44.161  3.8376 7.827435       4.885641 
1 1 1 21 13 7  o 10.502  4.5485 -0.0423  1.3803  -0.0654  1.9410  -0.0187  1.9632  12.292  5.3583 12.428  5.4036 -0.1359568     7.609848 
1 1 1 21 13 8  o 51.261  2.1901 20.882   1.7600  22.626   2.5164  19.212   2.4625  52.943  3.0447 48.675  3.2457 4.268341       4.450298 
1 1 1 21 13 9  o 53.055  2.1304 22.356   1.7719  22.708   2.4869  21.994   2.5252  53.051  3.0026 52.159  3.1023 0.8924942      4.317400 
1 1 1 21 13 10 o 46.283  2.3526 17.107   1.7014  17.105   2.3462  17.110   2.4709  45.881  3.2836 45.797  3.4674 0.8470917E-01  4.775401 
1 1 1 21 13 11 o 43.021  2.4747 14.820   1.6620  13.720   2.2985  16.026   2.4059  40.898  3.6225 44.289  3.4936 -3.390564      5.032598 
1 1 1 21 13 12 o 14.021  5.0961 1.4545   1.4486  -0.2609  1.9948  3.3684   2.1071  12.129  5.3547 19.516  6.1595 -7.387050      8.161655 
1 1 1 21 13 13 o 18.603  4.9691 3.0225   1.4766  1.5379   2.0308  4.6875   2.1507  15.282  5.9285 22.811  5.9515 -7.529498      8.400449 
1 1 1 21 13 14 o 66.797  1.9286 35.385   2.0196  36.448   2.8844  34.363   2.8286  67.400  2.7299 65.428  2.7577 1.972183       3.880379 
1 1 1 21 13 15 o 26.061  3.6673 5.6472   1.4568  8.8682   2.1346  2.8393   1.9931  32.449  4.3024 18.115  6.0127 14.33423       7.393451 
1 1 1 21 13 16 o 43.560  2.3432 15.184   1.5943  15.345   2.1888  15.003   2.3269  43.390  3.2412 42.767  3.5013 0.6231995      4.771173 
1 1 1 21 13 17 o 38.745  2.5088 12.064   1.5157  11.653   2.0302  12.581   2.2781  37.654  3.4787 38.980  3.7753 -1.326145      5.133591 
1 1 1 21 13 18 o 33.366  2.8303 9.0271   1.4665  10.948   2.0541  7.0304   2.0944  36.385  3.6504 28.499  4.8623 7.885633       6.080083 
1 1 1 21 13 19 o 42.378  2.3505 14.395   1.5555  15.625   2.0779  12.827   2.3459  43.837  3.0425 39.267  3.8608 4.569412       4.915551 
1 1 1 21 13 20 o 38.959  2.5009 12.215   1.5193  11.714   1.9889  12.918   2.3544  37.736  3.3985 39.379  3.8636 -1.642704      5.145586 
1 1 1 21 13 21 o 20.121  4.4004 3.5166   1.3494  3.9837   1.7949  2.9095   2.0463  21.027  5.4131 18.144  6.0937 2.883030       8.150754 
1 1 1 21 13 22 o 10.033  4.3998 -0.1319  1.3261  0.5359   1.8246  -0.8796  1.9306  12.760  5.3676 10.981  5.0189 1.779044       7.348499 
1 1 1 21 13 23 o 35.506  2.6795 10.218   1.4805  9.4764   2.0319  11.057   2.1614  33.559  3.9371 36.326  3.8544 -2.767349      5.509733 
1 1 1 21 13 24 o 32.871  2.9285 8.8311   1.4933  9.9701   1.9170  7.0735   2.3813  34.600  3.5863 27.903  5.6378 6.696283       6.681811 
1 1 1 21 13 25 o 16.946  4.9816 2.5575   1.4112  2.0275   1.7786  3.4582   2.3185  15.678  5.6547 19.303  6.4864 -3.625815      8.605171 
1 1 1 21 13 26 f 39.993  2.6885 12.992   1.6758  12.844   2.0537  13.287   2.8989  39.383  3.3586 38.981  4.8486 0.4017639      5.898252 
1 1 1 21 13 27 o 25.825  3.9012 5.6901   1.5301  6.1452   1.9489  4.9590   2.4705  26.270  4.9131 22.562  6.5795 3.707928       8.211469 
1 1 1 21 13 28 o 25.541  3.9495 5.5913   1.5303  3.6853   2.0147  8.1907   2.3528  19.741  5.9882 30.190  5.1563 -10.44964      7.902274 
1 1 1 21 13 29 o 26.772  3.7383 6.0957   1.5261  6.3840   2.0318  5.7224   2.3118  26.599  5.0574 24.463  6.0596 2.135859       7.892781 
1 1 1 21 13 30 o 27.581  3.6122 6.4452   1.5243  9.8749   2.1663  3.0818   2.1452  33.830  4.1731 18.126  6.2373 15.70402       7.504584 
1 1 1 21 13 31 o 14.097  5.3189 1.5494   1.6044  2.5449   2.0137  -0.1807  2.6548  16.805  6.0218 13.391  6.0261 3.413724       8.519156 
1 1 1 21 13 32 o 16.329  5.3724 2.4326   1.5925  3.1561   1.8145  0.0075   3.3221  18.255  5.7091 14.782  6.6881 3.473034       8.793459 
1 1 1 21 13 33 o 12.153  4.8910 0.8719   1.4295  0.9307   1.7209  0.7411   2.5672  12.921  5.3043 14.270  6.1917 -1.348861      8.153049 
1 1 1 21 13 34 f 21.963  4.5115 4.3361   1.5014  3.1182   1.7915  7.2095   2.7518  18.077  5.6759 26.709  6.6084 -8.631701      8.711284 
1 1 1 21 13 35 o 11.945  4.9169 0.7359   1.4837  1.5658   1.8851  -0.6151  2.4053  14.405  5.6758 12.214  5.5899 2.190910       7.966249 
1 1 1 21 13 36 o 18.695  5.6436 3.3777   1.7927  2.9729   2.7010  3.6964   2.3967  17.723  6.8478 19.119  6.5920 -1.395567      9.505139 
1 1 1 21 13 37 o 9.8429  4.4312 -0.3406  1.4373  -3.0961  1.9305  3.0866   2.1529  8.6287  4.2270 17.777  6.2410 -9.148186      7.537706 
1 1 1 21 13 38 o 20.864  5.1197 4.1064   1.6620  2.9883   2.4370  5.0786   2.2724  17.561  6.5695 22.377  6.2419 -4.816273      9.061967 
1 1 1 21 13 39 o 25.201  4.4633 5.7222   1.6988  4.1769   2.5246  7.0008   2.2964  19.925  6.7682 26.966  5.6147 -7.041534      8.793969 
1 1 1 21 13 40 o 11.545  4.9770 0.3735   1.6373  2.6188   2.4839  -1.3516  2.1772  16.781  6.5436 10.767  5.0588 6.014345       8.271049 
1 1 1 21 13 41 o 16.813  5.3868 2.7184   1.6070  3.4796   2.4204  2.1184   2.1489  18.363  6.5996 15.563  6.0815 2.800033       8.974328 
1 1 1 21 13 42 o 14.182  5.1955 1.7637   1.5100  2.9547   2.1738  0.6533   2.0989  17.211  6.2447 12.937  5.6061 4.273685       8.391946 
1 1 1 21 13 43 o 18.862  5.1688 3.4549   1.5737  4.5170   2.1907  2.3223   2.2621  20.736  6.2339 15.878  6.2297 4.858049       8.813074 
1 1 1 21 13 44 o 27.474  3.9028 6.6875   1.6337  8.5746   2.3317  4.8679   2.2897  29.981  5.1462 21.292  6.3669 8.689041       8.186650 
1 1 1 21 13 45 o 8.5343  4.0675 -1.4220  1.5058  -2.1144  2.1501  -0.7555  2.1096  9.8253  4.7295 10.992  5.1032 -1.166541      6.957780 
1 1 1 21 13 46 o 27.901  3.8224 6.9343   1.6279  5.7988   2.2948  8.0846   2.3096  23.215  6.1918 28.640  5.3407 -5.425293      8.176869 
1 1 1 21 13 47 o 22.824  4.6380 4.9715   1.6029  6.5522   2.2749  3.4131   2.2589  24.917  5.9128 17.500  6.3633 7.417006       8.686323 
1 1 1 21 13 48 o 15.729  5.2991 2.5374   1.5475  1.1593   2.1289  4.0813   2.2534  13.192  5.6812 18.749  6.3942 -5.556907      8.553428 
1 1 1 21 14 0  o 43.917  3.5775 15.669   2.4254  15.669   2.4254  15.669   2.4254  43.917  3.5775 43.917  3.5775 0.000000       0.000000 
1 1 1 21 14 1  o 12.881  5.0929 0.9553   1.5228  0.3497   2.0453  1.7087   2.2812  13.084  5.6000 15.914  6.2520 -2.829777      8.393287 
1 1 1 21 14 2  o 32.657  3.2696 8.7531   1.6514  7.4691   2.4269  9.8602   2.2535  28.968  5.5462 34.143  4.3059 -5.175032      7.021498 
1 1 1 21 14 3  o 34.382  3.1484 9.6649   1.6781  9.6777   2.5795  9.6554   2.2097  33.348  5.0958 33.802  4.2650 -0.4533119     6.645059 
1 1 1 21 14 4  o 31.488  3.2244 8.1355   1.5692  7.4465   2.2123  8.8331   2.2262  29.226  5.0087 32.154  4.5430 -2.927355      6.762047 
1 1 1 21 14 5  o 19.073  4.9225 3.2123   1.4818  2.2252   2.0429  4.3080   2.1524  16.608  6.0495 21.654  6.0872 -5.046152      8.581994 
1 1 1 21 14 6  f 37.303  2.8420 11.287   1.6494  9.1589   2.2957  13.558   2.3715  32.698  4.6062 40.396  3.7891 -7.698105      5.964429 
1 1 1 21 14 7  o 54.721  2.1297 23.862   1.8270  22.583   2.5707  25.168   2.5970  52.653  3.1284 55.687  2.9857 -3.033707      4.324520 
1 1 1 21 14 8  o 37.908  2.7486 11.635   1.6223  8.4463   2.2699  14.965   2.3194  31.256  4.7849 42.609  3.5034 -11.35257      5.930332 
1 1 1 21 14 9  o 28.426  3.4874 6.7068   1.5215  4.8377   2.0973  8.7832   2.2105  23.004  5.8133 32.020  4.5301 -9.015902      7.369953 
1 1 1 21 14 10 o 55.389  2.0547 24.435   1.7841  24.437   2.3976  24.432   2.6706  54.960  2.7920 54.740  3.1250 0.2192154      4.190558 
1 1 1 21 14 11 o 27.578  3.3714 6.3022   1.4272  7.8140   1.9439  4.5341   2.1022  30.328  4.2015 22.178  5.9312 8.149729       7.268506 
1 1 1 21 14 12 o 21.081  4.2862 3.8458   1.3682  4.4693   1.8560  3.1036   2.0250  22.250  5.3801 18.553  6.0560 3.696457       8.100628 
1 1 1 21 14 13 o 51.821  2.0951 21.420   1.7020  23.652   2.3507  18.959   2.4676  54.034  2.7845 48.048  3.2959 5.985580       4.314724 
1 1 1 21 14 14 o 13.186  4.9029 1.2700   1.3533  0.7282   1.8116  1.9543   2.0357  13.034  5.4053 15.880  5.9914 -2.846056      8.069292 
1 1 1 21 14 15 o 14.105  4.9581 1.6083   1.3590  0.8169   1.8501  2.5358   2.0028  13.270  5.4795 17.110  6.0187 -3.839565      8.139417 
1 1 1 21 14 16 o 17.258  5.4109 2.6654   1.6287  2.3734   2.1776  3.0362   2.4539  16.870  6.2299 18.451  6.6436 -1.580481      9.107600 
1 1 1 21 14 17 o 19.082  5.2944 3.3115   1.6395  2.0409   2.1986  4.9032   2.4607  16.185  6.1975 22.555  6.5631 -6.370827      9.026811 
1 1 1 21 14 18 o 8.2921  4.0054 -2.1876  1.5745  -2.8104  2.0627  -1.3182  2.4371  9.4213  4.5589 11.842  5.4934 -2.421035      7.138752 
1 1 1 21 14 19 o 36.261  3.4502 10.950   1.9376  12.909   2.7157  8.9180   2.7654  38.575  4.5802 31.026  5.9012 7.549271       7.470131 
1 1 1 21 14 20 o 26.187  4.4725 5.9987   1.7701  4.6890   2.2449  8.1513   2.8781  22.100  6.2180 29.106  6.4748 -7.005316      8.976997 
1 1 1 21 14 21 o 61.220  2.2588 30.105   2.1679  29.398   3.0347  30.842   3.0979  59.648  3.2577 61.111  3.2453 -1.463032      4.598336 
1 1 1 21 14 22 o 13.498  5.1482 1.3359   1.5133  3.1357   2.0729  -0.7182  2.2145  18.292  6.1332 11.805  5.3878 6.486705       8.163604 
1 1 1 21 14 23 o 60.620  2.1400 29.482   2.0337  28.653   2.7313  30.513   3.0465  59.157  2.9452 60.733  3.2113 -1.575558      4.357334 
1 1 1 21 14 24 o 28.759  3.4316 6.9627   1.5166  6.9814   1.9683  6.9354   2.3790  28.043  4.6396 27.110  5.7747 0.9335480      7.407588 
1 1 1 21 14 25 o 52.965  2.1247 22.528   1.7642  22.327   2.3582  22.784   2.6587  52.126  2.8972 52.345  3.2560 -0.2191658     4.358397 
1 1 1 21 14 26 o 18.853  4.6060 3.2214   1.3497  2.4742   1.7531  4.3089   2.1150  16.449  5.6397 20.973  6.0795 -4.523464      8.292527 
1 1 1 21 14 27 o 9.9156  4.3601 -0.0640  1.3101  0.4199   1.6926  -0.7872  2.0693  11.904  5.0947 11.216  5.1521 0.6876230      7.245686 
1 1 1 21 14 28 o 19.260  4.5376 3.3648   1.3475  2.8186   1.7732  4.1114   2.0732  17.268  5.6684 20.415  6.0481 -3.146490      8.289176 
1 1 1 21 14 29 o 10.276  4.4983 0.0219   1.3808  -0.9019  1.8433  1.2031   2.0844  10.400  4.8079 14.025  5.8057 -3.624787      7.538032 
1 1 1 21 14 30 o 19.587  4.4867 3.4839   1.3481  2.5278   1.7090  5.0588   2.1934  16.441  5.5687 22.544  6.0710 -6.102718      8.238147 
1 1 1 21 14 31 o 8.9996  4.1161 -0.5755  1.3013  0.6342   1.7338  -2.1362  1.9693  12.287  5.2038 9.4991  4.5606 2.787581       6.919419 
1 1 1 21 14 32 o 11.529  4.8105 0.6084   1.4474  0.0874   1.8416  1.4500   2.3408  11.645  5.1429 14.725  6.1285 -3.079368      8.000507 
1 1 1 21 14 33 o 9.7021  4.3201 -0.1745  1.3260  -0.4385  1.7306  0.2007   2.0634  10.583  4.8039 12.318  5.4416 -1.734648      7.258722 
1 1 1 21 14 34 o 32.830  2.8979 8.9754   1.4761  8.8128   1.8924  9.2282   2.3590  31.821  3.8735 31.674  4.9097 0.1467991      6.253787 
1 1 1 21 14 35 o 11.126  4.7050 0.4733   1.4138  1.1615   1.8844  -0.4129  2.1383  13.444  5.5385 11.660  5.3109 1.784044       7.673326 
1 1 1 21 14 36 o 14.043  5.1468 1.7092   1.4820  3.3882   2.0325  -0.1971  2.1656  18.294  6.0718 11.957  5.4060 6.336925       8.129653 
1 1 1 21 14 37 o 27.484  3.7509 6.5902   1.5739  3.0993   2.0575  11.514   2.4436  17.543  6.1044 35.736  4.4588 -18.19307      7.559391 
1 1 1 21 14 38 f 11.523  4.8110 0.6640   1.4489  0.4819   1.9572  0.8847   2.1550  12.347  5.3815 13.331  5.7281 -0.9842234     7.859483 
1 1 1 21 14 39 o 28.128  3.4553 6.8307   1.4916  5.1798   1.9756  9.0193   2.2747  22.806  5.5732 31.128  4.8170 -8.321302      7.366378 
1 1 1 21 14 40 o 12.678  5.0728 1.1775   1.5281  0.1697   2.1453  2.2155   2.1772  12.199  5.4588 15.474  6.0987 -3.275394      8.184940 
1 1 1 21 14 41 o 41.851  2.6286 14.553   1.7158  12.195   2.2837  17.610   2.6000  36.956  4.0059 44.801  3.7360 -7.845417      5.477715 
1 1 1 21 14 42 o 11.157  4.8803 0.3298   1.6226  1.5217   2.1407  -1.2798  2.4877  14.018  5.8497 11.252  5.3236 2.765780       7.909516 
1 1 1 21 14 43 o 17.531  5.5050 3.1966   1.6852  1.8933   2.1615  5.2165   2.6909  14.553  5.9560 20.723  6.9879 -6.169594      9.181741 
1 1 1 21 14 44 o 13.657  5.3866 1.6787   1.6997  2.7419   2.2545  0.2786   2.5871  15.976  6.2329 12.743  5.8187 3.233331       8.526791 
1 1 1 21 15 0  o 18.910  7.5136 4.1237   2.1502  4.1237   2.1502  4.1237   2.1502  18.910  7.5136 18.910  7.5136 0.000000       0.000000 
1 1 1 21 15 1  o 15.428  5.2169 2.0592   1.4999  3.6081   2.1369  0.5552   2.1057  19.543  6.2067 13.318  5.6908 6.224796       8.420669 
1 1 1 21 15 2  o 16.174  5.3059 2.3167   1.5537  3.7070   2.1063  0.6570   2.3013  19.795  6.1445 13.896  5.9437 5.898660       8.548845 
1 1 1 21 15 3  o 35.680  3.0224 10.468   1.6747  8.8910   2.3275  12.161   2.4115  31.754  4.8276 37.733  4.1451 -5.978651      6.362928 
1 1 1 21 15 4  o 32.520  3.4133 8.8206   1.7142  10.137   2.3034  7.1871   2.5662  34.244  4.3920 27.588  6.0960 6.655321       7.513350 
1 1 1 21 15 5  o 23.217  4.9012 4.8357   1.7279  5.2370   2.1597  4.1219   2.8801  23.589  5.8651 20.504  7.2171 3.085037       9.299733 
1 1 1 21 15 6  o 35.547  3.3211 10.499   1.8293  11.541   2.3128  8.7579   2.9895  36.771  4.0810 30.148  6.5155 6.623350       7.688098 
1 1 1 21 15 7  o 30.291  4.4868 8.0030   2.0662  6.2740   2.5113  11.626   3.6354  25.519  6.3122 34.377  6.9839 -8.857851      9.413773 
1 1 1 21 15 8  o 15.793  6.3319 1.7789   2.3860  0.3742   3.3884  3.1602   3.3603  15.484  6.8996 18.960  7.5435 -3.475594      10.22297 
1 1 1 21 15 9  f 29.220  4.6375 7.5193   2.0534  7.1914   2.4745  8.2444   3.6796  27.671  5.8854 27.678  8.0177 -0.7339478E-02 9.945919 
1 1 1 21 15 10 o 34.214  3.6143 9.8575   1.9093  10.547   2.5250  8.9368   2.9176  34.547  4.7913 30.545  6.3020 4.001467       7.916578 
1 1 1 21 15 11 o 19.256  5.2156 3.4214   1.6133  4.0445   2.1854  2.6751   2.3918  20.435  6.2449 17.392  6.5079 3.042677       9.019522 
1 1 1 21 15 12 o 17.974  5.1780 2.9729   1.5385  0.9839   2.0137  5.7623   2.3847  13.717  5.6947 24.364  6.2215 -10.64699      8.434257 
1 1 1 21 15 13 o 34.230  2.8814 9.6398   1.5318  7.0404   2.0146  13.203   2.3586  28.112  4.7400 39.387  3.8698 -11.27532      6.119007 
1 1 1 21 15 14 o 14.037  4.9750 1.6456   1.3709  0.6926   1.8465  2.8162   2.0463  12.819  5.3966 17.439  6.0866 -4.619214      8.134500 
1 1 1 21 15 15 o 21.862  4.3145 4.2285   1.4262  2.5712   1.9004  6.3658   2.1581  16.786  5.8651 26.157  5.4401 -9.371265      7.999665 
1 1 1 21 15 16 o 36.098  2.7464 10.691   1.5425  11.051   2.0434  10.213   2.3518  36.097  3.6618 34.041  4.5188 2.056164       5.816176 
1 1 1 21 15 17 o 32.406  3.0580 8.7260   1.5352  10.910   2.0991  6.2152   2.2509  35.733  3.8059 25.521  5.7625 10.21221       6.905878 
1 1 1 21 15 18 o 25.278  3.6654 5.4755   1.4102  5.8766   1.9287  5.0147   2.0670  25.308  5.0384 22.809  5.7750 2.498812       7.663903 
1 1 1 21 15 19 f 8.6487  4.0370 -0.9832  1.3489  -1.1272  1.8115  -0.8041  2.0208  10.066  4.6917 11.048  5.0810 -0.9828176     6.915795 
1 1 1 21 15 20 o 32.449  3.0694 8.7778   1.5429  11.672   2.1496  5.7032   2.2157  36.923  3.7665 24.198  5.8953 12.72449       6.995728 
1 1 1 21 15 21 o 53.046  2.1036 22.646   1.7493  22.679   2.3574  22.606   2.6095  52.424  2.8795 52.021  3.2155 0.4032021      4.316401 
1 1 1 21 15 22 o 11.671  4.7446 0.7632   1.3602  -1.7294  1.8209  3.9096   2.0458  9.4260  4.4870 19.828  6.0385 -10.40218      7.523071 
1 1 1 21 15 23 o 10.734  4.5974 0.2895   1.3802  -2.5671  1.8120  4.2379   2.1303  8.6476  4.2051 20.520  6.1425 -11.87209      7.444037 
1 1 1 21 15 24 o 30.596  3.1932 7.8821   1.5091  7.0148   2.0241  8.9676   2.2644  27.674  4.8419 31.439  4.7417 -3.765755      6.777013 
1 1 1 21 15 25 o 32.234  3.0669 8.7046   1.5311  7.8598   2.0931  9.6769   2.2455  29.413  4.6975 32.881  4.4724 -3.467661      6.485987 
1 1 1 21 15 26 o 12.320  4.8709 1.0430   1.3928  2.6227   1.8644  -0.9521  2.0953  16.569  5.8083 10.962  5.0880 5.607128       7.721701 
1 1 1 21 15 27 o 13.428  5.1185 1.4438   1.4953  3.1163   1.9189  -1.1417  2.3860  17.741  5.9003 11.475  5.3607 6.265067       7.971920 
1 1 1 21 15 28 o 6.3177  3.1681 -3.5556  1.3551  -2.4275  1.8512  -4.8578  1.9889  8.8368  4.2863 7.6977  3.8569 1.139103       5.766135 
1 1 1 21 15 29 f 11.734  4.7707 0.8223   1.3753  1.1794   1.8053  0.3284   2.1230  13.308  5.4444 12.542  5.5312 0.7661915      7.761174 
1 1 1 21 15 30 o 9.2455  4.2623 -0.6908  1.4339  0.1866   1.7890  -2.2673  2.3982  11.560  5.0887 10.472  5.0290 1.087397       7.154414 
1 1 1 21 15 31 o 10.414  4.6088 -0.0130  1.4867  0.3988   2.0830  -0.4407  2.1225  12.511  5.4997 11.518  5.2635 0.9937563      7.612588 
1 1 1 21 15 32 o 21.050  4.7742 4.1659   1.5392  3.7723   1.9340  4.8460   2.5423  19.226  5.8746 20.979  6.7813 -1.753323      8.972048 
1 1 1 21 15 33 o 22.282  4.6143 4.6181   1.5588  5.6647   2.1859  3.5351   2.2235  23.561  5.9242 18.317  6.3473 5.244081       8.682439 
1 1 1 21 15 34 o 15.276  5.2580 2.2250   1.5245  2.3173   2.1922  2.1386   2.1216  15.716  6.1421 15.331  6.0273 0.3850985      8.605434 
1 1 1 21 15 35 o 14.094  5.1495 1.8022   1.4819  0.9018   2.0243  2.8421   2.1754  12.994  5.5666 16.684  6.2137 -3.690116      8.342506 
1 1 1 21 15 36 o 13.354  5.2674 1.4549   1.6253  2.7513   2.2579  0.0608   2.3415  16.412  6.2816 12.373  5.6050 4.038930       8.418698 
1 1 1 21 15 37 o 12.797  5.1437 1.2516   1.5789  0.1086   2.2522  2.3561   2.2141  12.195  5.5133 15.549  6.1431 -3.353314      8.254373 
1 1 1 21 15 38 o 14.488  5.3630 2.0096   1.6157  0.7300   2.2438  3.3875   2.3284  12.894  5.6864 17.428  6.4408 -4.534402      8.591830 
1 1 1 21 15 39 o 37.609  3.1816 12.199   1.8582  14.556   2.8457  10.446   2.4536  39.058  4.7449 32.849  4.9157 6.209202       6.832132 
1 1 1 21 15 40 f 9.9919  4.5116 -0.1219  1.5027  -3.5561  2.0457  3.9026   2.2146  8.3601  4.1433 18.317  6.3353 -9.957029      7.569901 
1 1 1 21 15 41 o 14.671  5.1932 2.1957   1.4933  2.0904   2.0015  2.3278   2.2428  14.475  5.8008 14.979  6.0915 -0.5040989     8.411630 
1 1 1 21 16 0  o 28.726  6.4945 7.8311   2.5509  7.8311   2.5509  7.8311   2.5509  28.726  6.4945 28.726  6.4945 0.000000       0.000000 
1 1 1 21 16 1  o 26.037  4.8602 6.1843   1.9108  4.7987   2.5279  8.0313   2.9187  21.502  6.7408 28.024  6.7286 -6.521461      9.524378 
1 1 1 21 16 2  o 42.250  3.5023 15.099   2.2988  16.203   3.2728  14.024   3.2295  42.193  5.0482 38.793  5.4617 3.400654       7.437390 
1 1 1 21 16 3  o 12.334  5.2787 0.5229   1.8172  -0.8342  2.3386  2.5913   2.8870  11.804  5.4421 17.227  6.9446 -5.423562      8.822896 
1 1 1 21 16 4  o 13.647  5.4530 1.2970   1.7630  0.6480   2.2983  2.2248   2.7480  13.538  5.8664 16.532  6.7350 -2.994024      8.931685 
1 1 1 21 16 5  o 14.419  5.4996 1.6849   1.7269  4.5473   2.4315  -1.2288  2.4532  21.001  6.6155 11.673  5.4472 9.327971       8.569509 
1 1 1 21 16 6  o 32.517  3.4820 8.9767   1.7474  10.204   2.3736  7.5247   2.5820  33.777  4.6023 27.648  6.1189 6.129223       7.656546 
1 1 1 21 16 7  o 17.001  5.6022 2.7411   1.7314  3.2024   2.4674  2.2937   2.4301  18.063  6.6379 16.332  6.4413 1.730568       9.249383 
1 1 1 21 16 8  o 23.210  5.0860 5.0267   1.7994  8.6843   2.5766  1.5444   2.5141  30.185  5.6528 15.171  6.3359 15.01443       8.491057 
1 1 1 21 16 9  f 27.817  3.9550 6.7457   1.6761  7.7575   2.4492  5.8544   2.2988  28.436  5.6929 24.282  6.0586 4.153883       8.313626 
1 1 1 21 16 10 o 31.844  3.5469 8.6548   1.7406  6.3021   2.6159  10.524   2.3316  24.664  6.6249 34.409  4.4250 -9.744978      7.966844 
1 1 1 21 16 11 o 10.857  4.7650 0.0689   1.5584  2.2449   2.4310  -1.4490  2.0304  16.174  6.4222 10.308  4.8563 5.866106       8.051596 
1 1 1 21 16 12 o 28.403  3.8670 7.0158   1.6771  5.4357   2.3939  8.5388   2.3503  22.997  6.4036 30.327  5.1262 -7.330233      8.202695 
1 1 1 21 16 13 o 6.3395  3.2022 -4.6610  1.5263  -5.3324  2.3455  -4.1680  2.0100  8.4913  4.2447 8.1597  4.0547 0.3316078      5.870131 
1 1 1 21 16 14 o 49.325  2.6235 19.979   2.0214  18.584   2.9930  21.148   2.7409  45.983  4.1984 49.852  3.5300 -3.869270      5.485149 
1 1 1 21 16 15 o 29.694  3.6833 7.6130   1.6778  4.3926   2.4991  10.256   2.2639  20.341  6.7319 33.929  4.3569 -13.58780      8.018758 
1 1 1 21 16 16 o 19.832  4.7546 3.6627   1.4590  4.6438   2.0090  2.5678   2.1223  21.598  5.8076 16.485  6.1378 5.113493       8.449868 
1 1 1 21 16 17 o 13.284  5.0067 1.4314   1.4206  2.3356   1.9208  0.3398   2.1106  15.870  5.8530 12.561  5.5283 3.309751       8.051044 
1 1 1 21 16 18 o 53.115  2.1818 22.837   1.8167  25.066   2.5165  20.410   2.6253  54.883  2.9355 48.982  3.4408 5.900925       4.522842 
1 1 1 21 16 19 o 11.149  4.7178 0.4854   1.4230  -0.6305  1.8783  1.9889   2.1803  10.698  4.9120 15.306  6.0806 -4.607821      7.816738 
1 1 1 21 16 20 o 12.848  4.9592 1.2746   1.4155  -0.8617  1.8627  4.1942   2.1776  10.370  4.8076 20.071  6.2505 -9.701711      7.885531 
1 1 1 21 16 21 f 15.828  5.1363 2.3761   1.4575  1.7127   1.9463  3.2230   2.1991  14.499  5.7498 17.767  6.3006 -3.268466      8.529821 
1 1 1 21 16 22 o 28.458  3.4750 6.9722   1.5181  7.3394   2.0737  6.5482   2.2284  28.059  4.8923 25.762  5.6714 2.296801       7.489904 
1 1 1 21 16 23 o 8.5721  4.0369 -1.1100  1.4007  -2.8550  1.8819  1.0573   2.0973  8.5621  4.1899 13.504  5.7215 -4.941535      7.091625 
1 1 1 21 16 24 o 13.209  5.0176 1.4323   1.4339  2.5698   1.9385  0.0579   2.1308  16.247  5.8967 12.112  5.4287 4.134925       8.015141 
1 1 1 21 16 25 o 14.986  5.2462 2.1011   1.5208  4.1985   1.9837  -0.8895  2.3686  20.213  5.8959 11.550  5.3773 8.663097       7.979826 
1 1 1 21 16 26 o 26.106  3.8557 6.0267   1.5305  6.7323   2.0571  5.1519   2.2905  26.526  5.1324 22.000  6.3122 4.526211       8.135420 
1 1 1 21 16 27 o 13.238  5.0960 1.4400   1.4915  2.2564   1.9196  0.1965   2.3691  15.445  5.8202 12.690  5.7032 2.755901       8.148707 
1 1 1 21 16 28 o 29.490  3.4146 7.5147   1.5494  8.1784   2.0700  6.6691   2.3364  29.741  4.5874 25.469  5.9577 4.271624       7.519245 
1 1 1 21 16 29 o 11.374  4.9658 0.3487   1.6730  -0.4886  2.2314  1.4237   2.5284  11.550  5.3220 14.438  6.2041 -2.887300      8.173998 
1 1 1 21 16 30 o 25.449  4.0298 5.8436   1.5541  5.8767   2.1003  5.8035   2.3104  24.017  5.6696 23.254  6.2175 0.7629623      8.414345 
1 1 1 21 16 31 f 8.9782  4.1756 -0.7623  1.4223  -0.6522  1.9231  -0.8952  2.1132  10.569  4.8947 10.773  5.0368 -0.2040405     7.023321 
1 1 1 21 16 32 o 17.021  5.3306 2.9520   1.5813  3.5718   2.0321  2.0005   2.5177  18.109  6.0726 15.039  6.3146 3.070175       8.760746 
1 1 1 21 16 33 o 42.168  2.6278 14.869   1.7285  13.759   2.3396  16.203   2.5649  39.183  3.8588 42.490  3.8939 -3.306770      5.482024 
1 1 1 21 16 34 o 31.602  3.3409 8.7279   1.6300  9.0585   2.1798  8.3087   2.4551  30.805  4.6594 28.211  5.7466 2.594091       7.398222 
1 1 1 21 16 35 o 29.818  3.4778 7.8759   1.5951  8.8902   2.1178  6.5459   2.4250  30.512  4.5680 23.986  6.3496 6.526245       7.822044 
1 1 1 21 16 36 o 24.265  4.6795 5.7565   1.7156  8.8026   2.1325  0.1687   2.8883  30.127  4.6661 12.843  5.9655 17.28395       7.573594 
1 1 1 21 16 37 o 18.537  5.3399 3.6913   1.6363  2.2293   2.0997  5.9523   2.6112  14.614  5.9114 21.545  6.8629 -6.930489      9.057851 
1 1 1 21 17 0  o 12.719  7.2728 2.0486   2.2866  2.0486   2.2866  2.0486   2.2866  12.719  7.2728 12.719  7.2728 0.000000       0.000000 
1 1 1 21 17 1  o 11.464  4.8262 0.5964   1.4770  0.9503   1.9937  0.1660   2.1989  13.164  5.5781 12.420  5.5444 0.7432947      7.864825 
1 1 1 21 17 2  o 16.335  5.2132 2.5670   1.5061  0.0541   2.0064  5.8112   2.2797  11.852  5.2931 23.794  6.0870 -11.94148      8.066535 
1 1 1 21 17 3  o 11.145  4.7270 0.4896   1.4338  -1.5291  1.9251  3.0040   2.1485  9.8156  4.6554 17.247  6.2158 -7.431029      7.765885 
1 1 1 21 17 4  o 19.841  5.3315 3.8570   1.6938  3.9442   2.1881  3.7266   2.6758  19.367  6.2938 18.586  6.8974 0.7813244      9.337322 
1 1 1 21 17 5  o 9.7019  4.4018 -0.3903  1.4508  2.2271   1.9949  -3.3289  2.1137  15.538  5.9145 8.9130  4.3777 6.625340       7.358406 
1 1 1 21 17 6  o 18.513  5.1591 3.3269   1.5532  3.7204   2.1366  2.8859   2.2619  18.870  6.2236 16.977  6.3334 1.892960       8.879478 
1 1 1 21 17 7  o 35.228  2.9731 10.418   1.6266  8.4187   2.1205  13.276   2.5354  30.305  4.6087 38.509  4.2717 -8.204309      6.283908 
1 1 1 21 17 8  o 29.704  3.4568 7.5981   1.5796  6.6815   2.1105  8.7655   2.3817  26.332  5.2961 30.357  5.1913 -4.025015      7.416073 
1 1 1 21 17 9  o 14.786  5.2038 2.0256   1.4974  0.8030   1.9758  3.6754   2.2951  12.857  5.5035 18.606  6.4487 -5.749306      8.477839 
1 1 1 21 17 10 f 8.2920  3.9486 -1.3812  1.4127  -1.9098  1.9230  -0.7615  2.0822  9.4338  4.5232 11.008  5.0962 -1.574228      6.814025 
1 1 1 21 17 11 o 31.104  3.3430 8.2877   1.6045  6.3927   2.1519  10.660   2.4078  25.469  5.5466 34.080  4.6263 -8.610987      7.222697 
1 1 1 21 17 12 o 10.208  4.5595 -0.1194  1.4893  0.7720   1.9839  -1.2705  2.2544  12.797  5.4973 10.899  5.1294 1.897718       7.518698 
1 1 1 21 17 13 o 33.623  3.2698 9.6481   1.7017  8.8182   2.1472  11.050   2.7905  31.011  4.5522 33.755  5.4597 -2.744205      7.108541 
1 1 1 21 17 14 o 14.823  5.3596 2.0422   1.5993  0.0374   2.0391  5.2465   2.5779  11.833  5.3065 21.651  6.8103 -9.818744      8.633615 
1 1 1 21 17 15 o 12.588  5.1247 1.0757   1.5897  0.0611   2.1138  2.3966   2.4118  12.016  5.3947 15.975  6.3798 -3.959123      8.354932 
1 1 1 21 17 16 o 21.370  5.0643 4.4172   1.6706  3.0284   2.1602  6.4841   2.6353  17.134  6.2238 24.281  6.7031 -7.146526      9.146984 
1 1 1 21 17 17 o 35.698  3.2833 10.901   1.8168  11.674   2.3759  9.8131   2.8193  35.919  4.3052 31.057  6.0079 4.861467       7.391180 
1 1 1 21 17 18 o 27.420  4.0087 6.7273   1.6722  7.3159   2.1830  5.8916   2.6014  27.453  5.2640 22.922  6.7706 4.530344       8.576213 
1 1 1 21 17 19 o 28.333  4.0123 7.1888   1.7323  9.2437   2.3286  4.6419   2.5923  31.271  4.9120 20.139  6.8583 11.13142       8.435880 
1 1 1 21 17 20 o 17.063  5.1512 2.8752   1.4935  2.8421   1.9997  2.9169   2.2460  16.643  5.9968 16.768  6.3001 -0.1252937     8.697887 
1 1 1 21 17 21 o 19.738  4.8564 3.7648   1.4924  0.2957   1.9724  8.4105   2.2825  11.931  5.2929 29.529  5.1161 -17.59870      7.361339 
1 1 1 21 17 22 o 39.494  2.6820 13.016   1.6507  11.028   2.1301  16.004   2.6116  35.152  3.9329 42.328  3.9825 -7.175934      5.597170 
1 1 1 21 17 23 o 10.402  4.5743 0.1551   1.4423  0.3207   1.9116  -0.0638  2.1978  11.785  5.2203 11.875  5.3993 -0.9029007E-01 7.510324 
1 1 1 21 17 24 o 36.679  2.8947 11.377   1.6509  13.023   2.2173  9.3290   2.4731  38.357  3.7349 30.719  5.3286 7.637537       6.507203 
1 1 1 21 17 25 o 12.732  5.0530 1.3040   1.5042  2.4624   1.9164  -0.5553  2.4279  15.570  5.8254 11.726  5.4542 3.843500       7.980252 
1 1 1 21 17 26 o 10.850  4.8156 0.1752   1.6344  0.8276   2.2270  -0.5863  2.4063  12.931  5.6852 11.609  5.4097 1.321963       7.847705 
1 1 1 21 17 27 o 12.736  5.2305 1.2385   1.6742  1.8364   2.2422  0.4852   2.5167  14.391  5.9946 12.874  5.8235 1.516679       8.357512 
1 1 1 21 17 28 o 13.119  5.3919 1.3967   1.7809  2.1523   2.2375  0.0906   2.9418  14.835  6.0644 12.998  6.0316 1.837468       8.553185 
1 1 1 21 17 29 o 12.133  5.1871 0.9054   1.7512  0.4007   2.4401  1.4415   2.5149  12.522  5.6919 13.880  6.0734 -1.357268      8.323732 
1 1 1 21 17 30 o 14.131  5.7915 1.9114   2.0473  3.2047   2.9802  0.7555   2.8174  16.315  6.8614 13.300  6.0727 3.014656       9.162767 
1 1 1 21 17 31 o 45.667  2.9310 17.945   2.0872  19.141   2.6421  15.959   3.4042  45.993  3.6957 38.512  5.8200 7.481079       6.894237 
1 1 1 21 17 32 o 9.1912  4.3947 -1.3192  1.7877  1.9826   2.1075  -9.7909  3.3758  14.064  5.8311 8.6591  4.4131 5.404803       7.312830 
1 1 1 21 18 0  o 7.1286  4.9615 -1.4681  1.9794  -1.4681  1.9794  -1.4681  1.9794  7.1286  4.9615 7.1286  4.9615 0.000000       0.000000 
1 1 1 21 18 1  o 18.730  5.0300 3.4557   1.5082  4.8519   2.2640  2.3418   2.0222  20.992  6.3433 15.485  5.9404 5.506446       8.690618 
1 1 1 21 18 2  o 14.362  5.1334 1.9423   1.4625  2.1523   1.8968  1.6343   2.2969  15.037  5.7569 14.403  6.0388 0.6337061      8.343154 
1 1 1 21 18 3  o 20.446  4.9187 4.0641   1.5574  5.5056   2.0590  2.1366   2.3809  23.131  5.7122 15.285  6.2528 7.845372       8.469149 
1 1 1 21 18 4  o 13.798  5.2392 1.6977   1.5629  2.1908   2.0919  1.0746   2.3514  15.204  5.9826 13.632  5.9204 1.572171       8.416806 
1 1 1 21 18 5  o 35.491  3.3496 10.881   1.8416  10.000   2.5862  11.787   2.6231  31.882  5.3649 35.241  4.8788 -3.359108      7.251542 
1 1 1 21 18 6  o 27.743  3.7463 6.8291   1.5877  7.1903   2.0880  6.3340   2.4447  27.237  5.0769 24.082  6.3754 3.154619       8.149849 
1 1 1 21 18 7  o 21.571  4.6786 4.4351   1.5365  3.5229   2.0154  5.7015   2.3746  18.106  6.0477 22.735  6.3944 -4.629404      8.801294 
1 1 1 21 18 8  o 19.724  5.0159 3.8323   1.5545  2.2849   2.0814  5.7841   2.3376  15.342  5.9879 23.008  6.2973 -7.666451      8.689643 
1 1 1 21 18 9  o 15.981  5.2191 2.5466   1.5039  0.7393   1.9621  5.1208   2.3417  12.489  5.4160 21.373  6.4496 -8.884057      8.422047 
1 1 1 21 18 10 o 12.731  4.9407 1.3374   1.4108  2.4714   1.8781  -0.1316  2.1375  15.658  5.7849 11.647  5.3067 4.010980       7.850238 
1 1 1 21 18 11 f 11.503  4.8601 0.6943   1.5063  -0.4015  2.0144  2.0843   2.2688  11.045  5.0772 15.018  6.1190 -3.972182      7.951094 
1 1 1 21 18 12 o 15.170  5.2431 2.2742   1.5166  2.2933   2.0719  2.2521   2.2261  15.278  5.9711 15.265  6.1175 0.1277447E-01  8.548582 
1 1 1 21 18 13 o 17.899  4.9982 3.1913   1.4563  1.8133   1.9472  4.9403   2.1938  14.250  5.7177 21.139  6.2101 -6.889146      8.441447 
1 1 1 21 18 14 o 20.351  4.7108 4.0088   1.4732  2.7423   1.9429  5.7217   2.2596  16.164  5.8978 22.868  6.1634 -6.703398      8.530657 
1 1 1 21 18 15 o 37.626  2.7948 11.949   1.6368  13.188   2.2084  10.438   2.4381  38.538  3.7009 32.929  4.8698 5.608814       6.116485 
1 1 1 21 18 16 o 40.532  2.6705 13.786   1.6873  12.142   2.2257  16.009   2.5873  36.661  3.9342 42.079  3.9691 -5.417454      5.588537 
1 1 1 21 18 17 o 11.353  4.7843 0.7239   1.4539  0.1563   1.9627  1.4140   2.1641  11.509  5.1801 13.640  5.7972 -2.131218      7.774385 
1 1 1 21 18 18 o 28.698  3.4933 7.2867   1.5391  7.5572   2.0484  6.9359   2.3325  27.841  4.8706 25.363  5.9663 2.478277       7.701871 
1 1 1 21 18 19 f 12.345  4.9795 1.2042   1.4854  0.8713   1.9729  1.6399   2.2569  12.474  5.4201 13.992  5.9323 -1.518674      8.035531 
1 1 1 21 18 20 o 8.1257  3.9127 -1.5717  1.4747  -2.7492  1.9645  -0.0518  2.2320  8.6361  4.2374 11.678  5.3593 -3.042038      6.832083 
1 1 1 21 18 21 o 10.229  4.6200 -0.0546  1.5773  -1.3391  2.1513  1.4387   2.3195  10.192  4.8586 13.639  5.9016 -3.446923      7.644217 
1 1 1 21 18 22 o 16.299  5.8735 2.9799   1.9184  5.9059   2.5504  -0.8323  2.9111  21.784  6.7613 11.988  5.6970 9.795583       8.841466 
1 1 1 21 18 23 o 10.795  4.9611 -0.1748  1.9217  0.2069   2.7575  -0.5353  2.6797  12.592  5.8420 11.812  5.5692 0.7799387      8.071293 
1 1 1 21 18 24 o 13.031  5.5986 1.3427   2.0583  2.8382   3.0167  0.0402   2.8154  15.559  6.7315 12.438  5.8147 3.120937       8.895157 
1 1 1 21 18 25 o 13.872  5.8835 1.8593   2.2212  6.7645   3.6342  -1.0658  2.8064  20.174  7.9015 11.449  5.4826 8.724992       9.617327 
1 1 1 21 18 26 o 14.851  6.3159 2.5240   2.5718  2.6159   3.6958  2.4378   3.5812  15.113  6.9212 14.931  6.8287 0.1821642      9.722841 
1 1 1 21 19 0  o 11.988  6.8034 1.9177   1.9813  1.9177   1.9813  1.9177   1.9813  11.988  6.8034 11.988  6.8034 0.000000       0.000000 
1 1 1 21 19 1  o 14.156  5.1081 2.0027   1.4516  5.0202   2.0917  -0.8009  2.0162  21.068  6.0282 10.382  4.8748 10.68619       7.752595 
1 1 1 21 19 2  o 16.914  5.1654 2.9925   1.4954  1.6329   2.1174  4.3455   2.1123  13.728  5.7789 19.318  6.1746 -5.590794      8.457067 
1 1 1 21 19 3  o 30.580  3.5741 8.3784   1.6811  7.0659   2.1029  10.702   2.7979  26.214  5.2995 31.590  5.8658 -5.375757      7.905203 
1 1 1 21 19 4  o 18.752  5.2005 3.6805   1.5822  1.7755   2.1187  6.0822   2.3789  13.945  5.8195 22.775  6.3984 -8.830031      8.649057 
1 1 1 21 19 5  o 13.431  5.1373 1.7194   1.5096  3.5065   2.0007  -0.6436  2.3005  17.455  6.0225 11.116  5.2155 6.339174       7.966935 
1 1 1 21 19 6  o 7.3970  3.6417 -2.4388  1.4908  -2.5371  1.9672  -2.3062  2.2849  8.7469  4.2811 9.6965  4.7168 -0.9496489     6.369890 
1 1 1 21 19 7  o 23.230  4.5220 5.2413   1.5875  6.9314   2.1272  3.1166   2.3850  25.707  5.4477 16.262  6.3915 9.444891       8.398096 
1 1 1 21 19 8  o 16.784  5.2340 2.9928   1.5263  3.8350   2.0662  1.9812   2.2644  18.059  6.1231 14.297  5.9952 3.761581       8.569363 
1 1 1 21 19 9  o 9.7169  4.4306 -0.2156  1.4933  0.0490   1.9736  -0.5699  2.2841  11.174  5.0943 11.100  5.2043 0.7401371E-01  7.282645 
1 1 1 21 19 10 o 11.581  5.0196 0.7290   1.6835  0.3089   2.2005  1.3220   2.6142  11.869  5.3990 13.586  6.0566 -1.717103      8.113648 
1 1 1 21 19 11 o 9.0054  4.2950 -1.2486  1.6851  -1.6630  2.2135  -0.6774  2.5988  9.9538  4.7932 11.511  5.4447 -1.557292      7.253919 
1 1 1 21 19 12 o 17.181  5.8941 3.4346   1.9149  1.9647   2.4292  5.8469   3.1120  14.213  6.0937 19.918  7.4292 -5.704963      9.608661 
1 1 1 21 19 13 o 15.447  5.8339 2.7095   1.9313  3.5744   2.5078  1.4488   3.0277  16.726  6.5602 13.919  6.3318 2.807179       9.117480 
1 1 1 21 19 14 o 10.056  4.8167 -1.3356  2.1685  -1.4502  2.7580  -1.1499  3.5097  11.077  5.3381 12.313  5.9555 -1.236324      7.997739 
1 1 1 21 19 15 o 8.8407  4.3456 -2.7024  2.0954  -3.4817  2.6346  -1.3606  3.4569  9.5607  4.7318 12.071  5.8557 -2.510790      7.528602 
1 1 1 21 19 16 f 16.337  6.3011 3.3781   2.2837  3.4915   2.8394  3.1702   3.8432  16.127  6.7342 15.552  7.0977 0.5749435      9.783995 
1 1 1 21 19 17 o 11.742  5.5320 -0.1890  2.6348  -4.6565  3.6810  4.5050   3.7731  10.669  5.3309 16.723  7.3747 -6.054665      9.099675 
1 1 1 21 19 18 o 15.594  6.4445 3.1753   2.5622  3.6545   3.7339  2.7489   3.5223  15.762  7.1149 14.938  6.8086 0.8248711      9.847741 
1 1 1 22 0  0  o 68.387  3.9676 37.057   4.2208  37.057   4.2208  37.057   4.2208  68.387  3.9676 68.387  3.9676 0.000000       0.000000 
1 1 1 22 0  1  o 32.220  5.6992 8.8847   2.6100  8.8847   2.6100  8.8847   2.6100  32.220  5.6992 32.220  5.6992 0.000000       0.000000 
1 1 1 22 0  2  o 68.795  3.2552 37.387   3.4927  37.387   3.4927  37.387   3.4927  68.795  3.2552 68.795  3.2552 0.000000       0.000000 
1 1 1 22 0  3  o 57.707  3.1289 26.359   2.8116  26.359   2.8116  26.359   2.8116  57.707  3.1289 57.707  3.1289 0.000000       0.000000 
1 1 1 22 0  4  o 137.737 2.2648 148.907  4.8872  148.907  4.8872  148.907  4.8872  137.737 2.2648 137.737 2.2648 0.000000       0.000000 
1 1 1 22 0  5  o 107.902 2.2144 91.425   3.7423  91.425   3.7423  91.425   3.7423  107.902 2.2144 107.902 2.2144 0.000000       0.000000 
1 1 1 22 0  6  o 101.800 2.2356 81.393   3.5639  81.393   3.5639  81.393   3.5639  101.800 2.2356 101.800 2.2356 0.000000       0.000000 
1 1 1 22 0  7  o 127.445 2.2257 127.500  4.4436  127.500  4.4436  127.500  4.4436  127.445 2.2257 127.445 2.2257 0.000000       0.000000 
1 1 1 22 0  8  o 66.777  2.3123 35.099   2.4140  35.099   2.4140  35.099   2.4140  66.777  2.3123 66.777  2.3123 0.000000       0.000000 
1 1 1 22 0  9  f 66.389  2.3650 34.701   2.4543  34.701   2.4543  34.701   2.4543  66.389  2.3650 66.389  2.3650 0.000000       0.000000 
1 1 1 22 0  10 o 93.592  2.0521 68.793   3.0075  68.793   3.0075  68.793   3.0075  93.592  2.0521 93.592  2.0521 0.000000       0.000000 
1 1 1 22 0  11 o 62.023  2.3668 30.305   2.2937  30.305   2.2937  30.305   2.2937  62.023  2.3668 62.023  2.3668 0.000000       0.000000 
1 1 1 22 0  12 o 176.116 2.1588 243.373  5.9582  243.373  5.9582  243.373  5.9582  176.116 2.1588 176.116 2.1588 0.000000       0.000000 
1 1 1 22 0  13 o 30.874  4.0456 7.8623   1.8649  7.8623   1.8649  7.8623   1.8649  30.874  4.0456 30.874  4.0456 0.000000       0.000000 
1 1 1 22 0  14 o 14.881  6.9026 2.5472   1.7823  2.5472   1.7823  2.5472   1.7823  14.881  6.9026 14.881  6.9026 0.000000       0.000000 
1 1 1 22 0  15 o 67.372  2.2358 35.721   2.3555  35.721   2.3555  35.721   2.3555  67.372  2.2358 67.372  2.2358 0.000000       0.000000 
1 1 1 22 0  16 o 17.113  6.8526 3.1946   1.7844  3.1946   1.7844  3.1946   1.7844  17.113  6.8526 17.113  6.8526 0.000000       0.000000 
1 1 1 22 0  17 o 28.217  4.1904 6.6557   1.7334  6.6557   1.7334  6.6557   1.7334  28.217  4.1904 28.217  4.1904 0.000000       0.000000 
1 1 1 22 0  18 o 107.953 2.0004 91.502   3.3827  91.502   3.3827  91.502   3.3827  107.953 2.0004 107.953 2.0004 0.000000       0.000000 
1 1 1 22 0  19 o 17.689  6.8820 3.3748   1.8191  3.3748   1.8191  3.3748   1.8191  17.689  6.8820 17.689  6.8820 0.000000       0.000000 
1 1 1 22 0  20 o 85.185  2.0712 57.025   2.7622  57.025   2.7622  57.025   2.7622  85.185  2.0712 85.185  2.0712 0.000000       0.000000 
1 1 1 22 0  21 o 163.019 2.1074 208.591  5.3835  208.591  5.3835  208.591  5.3835  163.019 2.1074 163.019 2.1074 0.000000       0.000000 
1 1 1 22 0  22 o 80.553  2.0828 51.009   2.6261  51.009   2.6261  51.009   2.6261  80.553  2.0828 80.553  2.0828 0.000000       0.000000 
1 1 1 22 0  23 o 207.121 2.3141 336.783  7.5118  336.783  7.5118  336.783  7.5118  207.121 2.3141 207.121 2.3141 0.000000       0.000000 
1 1 1 22 0  24 o 37.053  3.2717 11.037   1.8663  11.037   1.8663  11.037   1.8663  37.053  3.2717 37.053  3.2717 0.000000       0.000000 
1 1 1 22 0  25 o 8.2198  5.2699 0.0643   1.5369  0.0643   1.5369  0.0643   1.5369  8.2198  5.2699 8.2198  5.2699 0.000000       0.000000 
1 1 1 22 0  26 o 17.061  6.3571 3.0872   1.5825  3.0872   1.5825  3.0872   1.5825  17.061  6.3571 17.061  6.3571 0.000000       0.000000 
1 1 1 22 0  27 o 20.645  5.6840 4.0378   1.5908  4.0378   1.5908  4.0378   1.5908  20.645  5.6840 20.645  5.6840 0.000000       0.000000 
1 1 1 22 0  28 o 5.0990  3.6810 -2.8085  1.5066  -2.8085  1.5066  -2.8085  1.5066  5.0990  3.6810 5.0990  3.6810 0.000000       0.000000 
1 1 1 22 0  29 o 28.767  3.9360 6.8706   1.6807  6.8706   1.6807  6.8706   1.6807  28.767  3.9360 28.767  3.9360 0.000000       0.000000 
1 1 1 22 0  30 o 68.978  2.1365 37.460   2.3053  37.460   2.3053  37.460   2.3053  68.978  2.1365 68.978  2.1365 0.000000       0.000000 
1 1 1 22 0  31 o 44.140  2.8521 15.506   1.9547  15.506   1.9547  15.506   1.9547  44.140  2.8521 44.140  2.8521 0.000000       0.000000 
1 1 1 22 0  32 o 34.459  3.2006 9.5811   1.6947  9.5811   1.6947  9.5811   1.6947  34.459  3.2006 34.459  3.2006 0.000000       0.000000 
1 1 1 22 0  33 o 46.940  2.5624 17.469   1.8727  17.469   1.8727  17.469   1.8727  46.940  2.5624 46.940  2.5624 0.000000       0.000000 
1 1 1 22 0  34 o 137.100 2.0058 147.680  4.3089  147.680  4.3089  147.680  4.3089  137.100 2.0058 137.100 2.0058 0.000000       0.000000 
1 1 1 22 0  35 o 68.804  2.1314 37.288   2.2940  37.288   2.2940  37.288   2.2940  68.804  2.1314 68.804  2.1314 0.000000       0.000000 
1 1 1 22 0  36 o 41.481  2.7384 13.709   1.7629  13.709   1.7629  13.709   1.7629  41.481  2.7384 41.481  2.7384 0.000000       0.000000 
1 1 1 22 0  37 o 23.414  4.9844 4.8778   1.6080  4.8778   1.6080  4.8778   1.6080  23.414  4.9844 23.414  4.9844 0.000000       0.000000 
1 1 1 22 0  38 o 17.100  6.3598 3.1196   1.5854  3.1196   1.5854  3.1196   1.5854  17.100  6.3598 17.100  6.3598 0.000000       0.000000 
1 1 1 22 0  39 o 15.974  6.3666 2.8063   1.5424  2.8063   1.5424  2.8063   1.5424  15.974  6.3666 15.974  6.3666 0.000000       0.000000 
1 1 1 22 0  40 o 80.634  2.0883 51.194   2.6357  51.194   2.6357  51.194   2.6357  80.634  2.0883 80.634  2.0883 0.000000       0.000000 
1 1 1 22 0  41 f 17.249  6.2908 3.1531   1.5669  3.1531   1.5669  3.1531   1.5669  17.249  6.2908 17.249  6.2908 0.000000       0.000000 
1 1 1 22 0  42 o 24.110  4.7703 5.1084   1.6026  5.1084   1.6026  5.1084   1.6026  24.110  4.7703 24.110  4.7703 0.000000       0.000000 
1 1 1 22 0  43 o 13.780  6.2737 2.2077   1.4695  2.2077   1.4695  2.2077   1.4695  13.780  6.2737 13.780  6.2737 0.000000       0.000000 
1 1 1 22 0  44 o 25.561  4.2128 5.5747   1.5502  5.5747   1.5502  5.5747   1.5502  25.561  4.2128 25.561  4.2128 0.000000       0.000000 
1 1 1 22 0  45 o 11.758  6.2563 1.6121   1.5608  1.6121   1.5608  1.6121   1.5608  11.758  6.2563 11.758  6.2563 0.000000       0.000000 
1 1 1 22 0  46 o 25.590  4.1393 5.5789   1.5303  5.5789   1.5303  5.5789   1.5303  25.590  4.1393 25.590  4.1393 0.000000       0.000000 
1 1 1 22 0  47 o 8.9943  5.4980 0.5865   1.4744  0.5865   1.4744  0.5865   1.4744  8.9943  5.4980 8.9943  5.4980 0.000000       0.000000 
1 1 1 22 0  48 o 66.786  2.0803 35.202   2.1733  35.202   2.1733  35.202   2.1733  66.786  2.0803 66.786  2.0803 0.000000       0.000000 
1 1 1 22 0  49 o 5.4567  3.8734 -1.8361  1.4034  -1.8361  1.4034  -1.8361  1.4034  5.4567  3.8734 5.4567  3.8734 0.000000       0.000000 
1 1 1 22 0  50 o 31.970  3.4637 8.3867   1.6843  8.3867   1.6843  8.3867   1.6843  31.970  3.4637 31.970  3.4637 0.000000       0.000000 
1 1 1 22 0  51 o 7.9774  5.1610 0.0170   1.5179  0.0170   1.5179  0.0170   1.5179  7.9774  5.1610 7.9774  5.1610 0.000000       0.000000 
1 1 1 22 0  52 o 36.711  3.4716 10.998   1.9569  10.998   1.9569  10.998   1.9569  36.711  3.4716 36.711  3.4716 0.000000       0.000000 
1 1 1 22 0  53 o 19.533  6.1072 3.8674   1.6405  3.8674   1.6405  3.8674   1.6405  19.533  6.1072 19.533  6.1072 0.000000       0.000000 
1 1 1 22 0  54 o 42.786  2.7633 14.688   1.8357  14.688   1.8357  14.688   1.8357  42.786  2.7633 42.786  2.7633 0.000000       0.000000 
1 1 1 22 0  55 o 45.465  3.3240 16.745   2.3400  16.745   2.3400  16.745   2.3400  45.465  3.3240 45.465  3.3240 0.000000       0.000000 
1 1 1 22 0  56 o 9.1316  5.7073 0.5227   1.6758  0.5227   1.6758  0.5227   1.6758  9.1316  5.7073 9.1316  5.7073 0.000000       0.000000 
1 1 1 22 0  57 f 33.630  3.8529 9.4480   1.9623  9.4480   1.9623  9.4480   1.9623  33.630  3.8529 33.630  3.8529 0.000000       0.000000 
1 1 1 22 0  58 o 65.352  2.5701 34.096   2.6238  34.096   2.6238  34.096   2.6238  65.352  2.5701 65.352  2.5701 0.000000       0.000000 
1 1 1 22 0  59 o 7.9678  5.2688 -0.2107  1.7142  -0.2107  1.7142  -0.2107  1.7142  7.9678  5.2688 7.9678  5.2688 0.000000       0.000000 
1 1 1 22 0  60 o 6.2643  4.3472 -1.1377  1.4907  -1.1377  1.4907  -1.1377  1.4907  6.2643  4.3472 6.2643  4.3472 0.000000       0.000000 
1 1 1 22 0  61 o 32.353  3.5186 8.7373   1.7311  8.7373   1.7311  8.7373   1.7311  32.353  3.5186 32.353  3.5186 0.000000       0.000000 
1 1 1 22 0  62 o 43.815  3.7254 15.918   2.5163  15.918   2.5163  15.918   2.5163  43.815  3.7254 43.815  3.7254 0.000000       0.000000 
1 1 1 22 0  63 o 7.4885  5.0854 -0.7023  1.8009  -0.7023  1.8009  -0.7023  1.8009  7.4885  5.0854 7.4885  5.0854 0.000000       0.000000 
1 1 1 22 0  64 o 22.264  6.6874 5.1962   2.0341  5.1962   2.0341  5.1962   2.0341  22.264  6.6874 22.264  6.6874 0.000000       0.000000 
1 1 1 22 0  65 o 17.816  6.9197 3.7440   1.8403  3.7440   1.8403  3.7440   1.8403  17.816  6.9197 17.816  6.9197 0.000000       0.000000 
1 1 1 22 0  66 o 35.993  3.7473 10.943   2.0619  10.943   2.0619  10.943   2.0619  35.993  3.7473 35.993  3.7473 0.000000       0.000000 
1 1 1 22 0  67 o 12.657  6.6747 2.1787   1.7645  2.1787   1.7645  2.1787   1.7645  12.657  6.6747 12.657  6.6747 0.000000       0.000000 
1 1 1 22 0  68 o 10.503  6.4800 1.1985   2.0910  1.1985   2.0910  1.1985   2.0910  10.503  6.4800 10.503  6.4800 0.000000       0.000000 
1 1 1 22 0  69 o 9.5825  6.1531 0.6739   2.1050  0.6739   2.1050  0.6739   2.1050  9.5825  6.1531 9.5825  6.1531 0.000000       0.000000 
1 1 1 22 1  0  o 17.701  6.6022 3.3136   1.7061  3.3136   1.7061  3.3136   1.7061  17.701  6.6022 17.701  6.6022 0.000000       0.000000 
1 1 1 22 1  1  o 29.684  2.9667 6.9932   1.3620  9.8251   1.9437  4.2609   1.9092  35.158  3.5764 22.765  5.4265 12.39330       6.499060 
1 1 1 22 1  2  o 38.040  2.3195 11.403   1.3766  11.759   1.9135  11.021   1.9819  38.542  3.1959 37.276  3.4301 1.265732       4.688160 
1 1 1 22 1  3  o 38.384  2.4227 11.615   1.4503  12.899   2.1307  10.507   1.9798  40.354  3.3998 36.377  3.5156 3.977226       4.890551 
1 1 1 22 1  4  o 49.441  2.0515 19.185   1.5901  19.730   2.2603  18.650   2.2373  50.024  2.8946 48.626  2.9489 1.397842       4.132166 
1 1 1 22 1  5  o 67.640  1.7428 35.896   1.8480  38.412   2.6501  33.513   2.5784  69.941  2.4170 65.324  2.5178 4.616890       3.490149 
1 1 1 22 1  6  o 84.718  1.8128 56.314   2.4075  59.945   3.4802  52.982   3.3340  87.363  2.5411 82.129  2.5895 5.233826       3.628074 
1 1 1 22 1  7  o 65.254  1.7927 33.410   1.8339  35.748   2.6363  31.219   2.5527  67.466  2.4926 63.043  2.5829 4.423283       3.589522 
1 1 1 22 1  8  o 137.335 1.7691 147.988  3.8089  141.449  5.2191  155.438  5.5712  134.201 2.4808 140.675 2.5262 -6.474365      3.540641 
1 1 1 22 1  9  o 162.974 1.8323 208.423  4.6814  199.557  6.4088  218.565  6.8545  159.385 2.5649 166.795 2.6214 -7.409927      3.667526 
1 1 1 22 1  10 o 21.932  4.2973 3.9240   1.4247  2.2506   1.8539  6.3376   2.2265  17.352  5.8003 27.852  5.2927 -10.50012      7.852185 
1 1 1 22 1  11 o 48.325  2.1497 18.334   1.6285  17.163   2.2703  19.576   2.3374  46.610  3.1252 49.806  3.0077 -3.195900      4.337362 
1 1 1 22 1  12 o 107.891 1.5635 91.322   2.6445  93.021   3.7694  89.676   3.7110  108.842 2.2091 106.866 2.2151 1.975677       3.128414 
1 1 1 22 1  13 o 107.228 1.5442 90.204   2.5958  90.562   3.6854  89.853   3.6568  107.392 2.1891 106.971 2.1806 0.4205399      3.089874 
1 1 1 22 1  14 o 37.045  2.4624 10.829   1.4218  13.225   2.1241  8.8848   1.9138  40.851  3.3462 33.374  3.7213 7.476917       5.004532 
1 1 1 22 1  15 o 9.7535  4.2064 -0.1240  1.1704  -0.9650  1.6501  0.7277   1.6605  10.349  4.6951 13.316  5.3013 -2.966958      7.081533 
1 1 1 22 1  16 o 21.283  3.7338 3.6746   1.2003  5.0824   1.7118  2.3130   1.6835  24.977  4.5390 17.250  5.5123 7.726837       7.140551 
1 1 1 22 1  17 o 121.667 1.4090 116.131  2.6874  123.271  3.9243  109.826  3.6877  125.296 1.9979 118.266 1.9890 7.029518       2.819214 
1 1 1 22 1  18 o 97.517  1.4878 74.615   2.2744  75.337   3.3789  74.016   3.0755  97.928  2.2010 97.083  2.0208 0.8455353      2.987922 
1 1 1 22 1  19 o 96.630  1.4862 73.267   2.2514  74.008   3.0261  72.347   3.3694  97.076  1.9884 95.956  2.2399 1.120209       2.995140 
1 1 1 22 1  20 o 58.201  1.6682 26.589   1.5221  27.543   2.1992  25.712   2.1087  59.193  2.3699 57.193  2.3519 2.000008       3.338857 
1 1 1 22 1  21 o 9.1511  4.0801 -0.4753  1.1869  -1.9919  1.6755  1.0522   1.6815  9.1975  4.3567 14.058  5.4111 -4.860296      6.946957 
1 1 1 22 1  22 o 42.401  2.0833 14.126   1.3848  14.611   1.8601  13.524   2.0740  42.993  2.7747 41.293  3.2297 1.700600       4.257893 
1 1 1 22 1  23 o 77.190  1.4938 46.764   1.8076  45.135   2.5373  48.443   2.5758  75.782  2.1357 78.514  2.0927 -2.732071      2.990125 
1 1 1 22 1  24 o 119.946 1.4009 112.907  2.6342  111.911  3.6927  113.939  3.7588  119.344 1.9737 120.417 1.9912 -1.073486      2.803638 
1 1 1 22 1  25 o 102.040 1.3987 81.718   2.2374  79.271   3.1199  84.309   3.2104  100.436 1.9815 103.579 1.9771 -3.142975      2.799193 
1 1 1 22 1  26 o 71.283  1.4993 39.890   1.6755  40.574   2.3648  39.200   2.3742  71.839  2.0998 70.607  2.1450 1.231689       3.001665 
1 1 1 22 1  27 o 35.354  2.2846 9.8747   1.2594  8.3022   1.7631  11.513   1.7997  32.209  3.5507 38.080  3.0401 -5.870667      4.674304 
1 1 1 22 1  28 o 37.257  2.1803 10.956   1.2679  8.1958   1.7677  13.881   1.8195  31.986  3.5871 41.868  2.7881 -9.881405      4.543206 
1 1 1 22 1  29 o 56.515  1.6550 25.089   1.4663  23.468   1.9970  26.985   2.1597  54.600  2.3331 58.546  2.3531 -3.946072      3.313697 
1 1 1 22 1  30 o 146.463 1.4413 168.432  3.3092  172.967  4.7442  164.135  4.6182  148.294 2.0407 144.458 2.0393 3.835342       2.884989 
1 1 1 22 1  31 o 74.355  1.6057 43.432   1.8717  41.928   2.6387  44.954   2.6552  72.970  2.3067 75.566  2.2414 -2.596367      3.216344 
1 1 1 22 1  32 o 41.022  1.9936 13.238   1.2821  13.505   1.8262  12.978   1.8003  41.263  2.8405 40.442  2.8580 0.8208771      4.029478 
1 1 1 22 1  33 o 13.796  4.4484 1.4817   1.0945  -0.0917  1.5609  3.0034   1.5351  11.305  4.8665 19.012  5.0610 -7.707156      7.021136 
1 1 1 22 1  34 o 78.115  1.5366 47.940   1.8817  51.777   2.8465  44.963   2.5079  81.074  2.2396 75.571  2.1169 5.503418       3.081701 
1 1 1 22 1  35 o 76.228  1.4722 45.648   1.7593  45.218   2.4704  46.091   2.5061  75.785  2.0794 76.510  2.0894 -0.7257614     2.947749 
1 1 1 22 1  36 o 66.422  1.5516 34.671   1.6156  31.987   2.2551  37.500   2.3157  63.708  2.2580 68.999  2.1408 -5.291290      3.111559 
1 1 1 22 1  37 o 72.894  1.4849 41.752   1.6969  40.425   2.3737  43.139   2.4267  71.636  2.1137 74.006  2.0916 -2.369797      2.973674 
1 1 1 22 1  38 o 67.607  1.5020 35.920   1.5918  34.392   2.3001  37.325   2.2053  66.051  2.2213 68.840  2.0435 -2.788750      3.018323 
1 1 1 22 1  39 f 29.883  2.4620 7.0974   1.1431  8.9115   1.6918  5.5734   1.5506  33.349  3.2784 26.157  3.9008 7.192074       5.095490 
1 1 1 22 1  40 f 106.312 1.3586 88.794   2.2642  87.680   3.2758  89.813   3.1332  105.506 1.9806 106.810 1.8712 -1.303497      2.724712 
1 1 1 22 1  41 o 92.899  1.3676 67.811   1.9918  65.962   2.8706  69.527   2.7658  91.497  2.0013 93.966  1.8776 -2.469345      2.744197 
1 1 1 22 1  42 o 19.751  4.1338 3.2398   1.2389  2.4899   1.7926  3.9256   1.7141  17.610  5.6945 21.581  5.1402 -3.970171      7.671341 
1 1 1 22 1  43 o 60.268  1.5566 28.569   1.4707  27.116   2.0964  29.978   2.0637  58.599  2.2821 61.642  2.1356 -3.043144      3.125526 
1 1 1 22 1  44 o 50.314  1.7835 19.938   1.4068  19.637   2.1322  20.170   1.8720  49.698  2.7475 50.515  2.3639 -0.8170013     3.624447 
1 1 1 22 1  45 o 7.9644  3.6852 -0.8687  1.0867  -1.1898  1.6779  -0.6366  1.4261  10.022  4.6167 9.8107  4.4156 0.2110128      6.388389 
1 1 1 22 1  46 o 58.635  1.7028 27.080   1.5652  25.649   2.2459  28.431   2.1824  56.901  2.5178 59.954  2.3220 -3.053200      3.425077 
1 1 1 22 1  47 o 19.055  3.8931 3.0228   1.1237  1.5510   1.5441  4.6793   1.6382  14.686  5.2720 23.625  4.5886 -8.938879      6.989232 
1 1 1 22 1  48 o 8.7519  3.9456 -0.5345  1.1442  -0.0935  1.5751  -1.0272  1.6649  11.221  4.8594 10.145  4.6457 1.076428       6.722824 
1 1 1 22 1  49 o 29.038  2.7039 6.7633   1.2167  8.1485   1.6978  5.3007   1.7446  31.678  3.4759 25.119  4.5998 6.559019       5.765434 
1 1 1 22 1  50 o 19.703  3.8710 3.2424   1.1530  2.8415   1.5780  3.7015   1.6888  18.248  5.2402 20.734  5.2038 -2.485445      7.385081 
1 1 1 22 1  51 o 54.167  1.8667 23.187   1.5851  19.520   2.1127  27.910   2.3976  49.397  2.7389 59.209  2.5831 -9.812141      3.764885 
1 1 1 22 1  52 o 59.768  1.8239 28.236   1.7090  28.869   2.7245  27.825   2.1943  60.055  2.8939 59.163  2.3659 0.8917809      3.737942 
1 1 1 22 1  53 o 40.862  2.0323 13.235   1.3019  14.537   1.8649  11.998   1.8182  42.521  2.8135 38.533  3.0345 3.988178       4.138150 
1 1 1 22 1  54 o 14.058  4.4718 1.6308   1.1089  0.9211   1.6615  2.2008   1.4891  13.256  5.2948 16.167  5.1861 -2.911704      7.411482 
1 1 1 22 1  55 o 19.205  3.8793 3.1249   1.1277  3.5619   1.5542  2.6391   1.6389  20.171  4.9517 17.445  5.4208 2.725981       7.341981 
1 1 1 22 1  56 o 21.005  3.3405 3.6680   1.0632  4.8207   1.5241  2.5753   1.4838  23.780  4.2440 17.171  5.1234 6.608410       6.652844 
1 1 1 22 1  57 o 9.0059  3.9371 -0.1190  1.0546  0.0426   1.4867  -0.2825  1.4960  10.929  4.7270 10.410  4.6144 0.5189600      6.605902 
1 1 1 22 1  58 o 30.449  2.4536 7.4813   1.1613  7.0492   1.6534  7.9020   1.6314  29.022  3.7196 30.892  3.4264 -1.869787      5.057284 
1 1 1 22 1  59 o 55.437  1.7625 24.395   1.5317  22.818   2.0472  26.399   2.3086  53.305  2.4499 57.266  2.5716 -3.960575      3.551752 
1 1 1 22 1  60 o 26.609  3.1544 5.8547   1.2902  6.8235   1.6586  4.3703   2.0530  28.428  3.8183 21.659  5.8906 6.768898       7.019867 
1 1 1 22 1  61 o 49.577  2.1541 19.661   1.6742  21.376   2.2624  17.586   2.4890  51.253  2.8267 46.043  3.4740 5.210491       4.478714 
1 1 1 22 1  62 o 14.268  4.7582 1.7274   1.2476  0.3637   1.8969  2.7670   1.6563  12.526  5.3780 17.467  5.4531 -4.941195      7.658930 
1 1 1 22 1  63 o 26.236  3.1716 5.7220   1.2780  8.5675   1.9756  3.6747   1.6758  31.635  4.0787 20.000  5.2706 11.63477       6.664452 
1 1 1 22 1  64 o 37.705  2.6782 11.594   1.5728  13.445   2.2565  9.8451   2.1933  39.982  3.6401 33.769  4.2363 6.213142       5.585397 
1 1 1 22 1  65 o 20.511  4.3466 3.7339   1.3542  3.0231   1.9439  4.4041   1.8876  17.925  5.9375 21.613  5.5441 -3.688463      8.123468 
1 1 1 22 1  66 o 33.207  2.6675 9.0433   1.3769  7.8313   2.0948  9.9653   1.8270  29.597  4.6696 34.383  3.4356 -4.786369      5.797274 
1 1 1 22 1  67 o 10.130  4.3676 0.1631   1.2612  0.4179   1.8072  -0.0788  1.7608  12.110  5.2248 11.222  4.9886 0.8886223      7.223937 
1 1 1 22 1  68 o 17.652  4.6809 2.9015   1.3164  3.6998   1.9606  2.2462   1.7763  19.188  5.9237 15.608  5.6478 3.579906       8.184577 
1 1 1 22 2  0  o 150.644 2.0640 178.101  4.8722  178.101  4.8722  178.101  4.8722  150.644 2.0640 150.644 2.0640 0.000000       0.000000 
1 1 1 22 2  1  o 50.896  1.8503 20.331   1.4763  18.684   2.1006  21.938   2.0753  48.674  2.7643 52.842  2.5053 -4.167202      3.730684 
1 1 1 22 2  2  o 110.500 1.4326 95.782   2.4817  99.366   3.5719  92.439   3.4504  112.504 2.0252 108.512 2.0284 3.992622       2.866318 
1 1 1 22 2  3  o 17.419  4.6268 2.4821   1.2848  1.8099   1.8194  3.1508   1.8146  16.189  5.7320 19.688  5.6083 -3.499420      8.019225 
1 1 1 22 2  4  o 145.640 1.4619 166.395  3.3376  173.523  4.8309  159.886  4.6166  148.665 2.0729 142.704 2.0636 5.960312       2.924958 
1 1 1 22 2  5  o 127.815 1.4913 128.164  2.9881  129.738  4.0407  126.265  4.4389  128.553 2.0050 126.796 2.2332 1.756279       3.001176 
1 1 1 22 2  6  o 42.458  2.2142 14.195   1.4686  15.945   2.2369  12.870   1.9470  44.899  3.1990 40.326  3.1037 4.572563       4.457156 
1 1 1 22 2  7  o 44.719  2.0181 15.701   1.4147  14.279   1.9760  17.196   2.0265  42.502  2.9846 46.683  2.7817 -4.181061      4.079878 
1 1 1 22 2  8  o 10.074  4.3154 -0.0626  1.2164  0.8906   1.7948  -0.8722  1.6542  14.051  5.5375 10.495  4.7366 3.555819       7.286952 
1 1 1 22 2  9  o 113.149 1.4827 100.445  2.6300  104.484  3.6452  96.060   3.7982  115.356 2.0157 110.591 2.1908 4.765137       2.977022 
1 1 1 22 2  10 o 50.534  1.8789 20.047   1.4885  20.961   2.2275  19.311   2.0008  51.553  2.7663 49.496  2.5875 2.056999       3.787827 
1 1 1 22 2  11 o 65.423  1.7219 33.593   1.7660  31.917   2.4764  35.328   2.5191  63.724  2.4789 67.050  2.3966 -3.325157      3.448015 
1 1 1 22 2  12 o 99.030  1.5375 76.953   2.3870  74.817   3.3340  79.201   3.4191  97.592  2.1792 100.412 2.1720 -2.819382      3.076772 
1 1 1 22 2  13 o 93.544  1.5296 68.664   2.2431  72.678   3.2418  64.978   3.1068  96.187  2.1499 90.946  2.1791 5.240707       3.061134 
1 1 1 22 2  14 o 42.755  2.2771 14.405   1.5207  11.538   1.9333  19.058   2.4628  38.130  3.2658 49.081  3.2187 -10.95184      4.585344 
1 1 1 22 2  15 o 32.136  2.8389 8.1906   1.4155  9.0823   1.8625  6.9714   2.1779  33.745  3.5752 29.258  4.9230 4.486673       6.084229 
1 1 1 22 2  16 o 143.819 1.8900 162.433  4.2613  167.662  6.6359  158.763  5.5589  145.930 2.9007 142.086 2.4957 3.843826       3.826531 
1 1 1 22 2  17 o 121.564 1.6427 116.005  3.1306  114.548  4.1862  117.854  4.7155  120.726 2.2119 122.417 2.4572 -1.691063      3.306072 
1 1 1 22 2  18 o 128.704 1.6573 130.044  3.3438  126.170  4.4496  135.071  5.0684  126.690 2.2404 131.043 2.4672 -4.352798      3.332626 
1 1 1 22 2  19 o 72.852  1.6755 41.671   1.9136  41.998   2.7211  41.351   2.6915  73.076  2.3753 72.512  2.3678 0.5646362      3.353864 
1 1 1 22 2  20 o 66.286  1.8882 34.517   1.9621  35.348   2.9498  33.858   2.6277  66.990  2.8089 65.590  2.5555 1.399712       3.797463 
1 1 1 22 2  21 o 79.435  1.5511 49.537   1.9316  49.539   2.8761  49.535   2.6070  79.361  2.3118 79.383  2.0949 -0.2174377E-01 3.119737 
1 1 1 22 2  22 o 51.587  1.9603 20.914   1.5853  21.364   2.2641  20.481   2.2205  51.997  2.7878 50.907  2.7931 1.089977       3.946264 
1 1 1 22 2  23 o 18.961  4.0800 2.9584   1.1768  3.7975   1.8058  2.3390   1.5515  21.382  5.3889 17.101  5.2679 4.280941       7.535987 
1 1 1 22 2  24 f 86.952  1.4442 59.354   1.9686  61.061   2.8146  57.720   2.7545  88.126  2.0373 85.679  2.0507 2.447090       2.890720 
1 1 1 22 2  25 o 46.442  1.8697 16.952   1.3613  16.729   1.9293  17.173   1.9210  45.993  2.6875 46.608  2.6399 -0.6151772     3.767234 
1 1 1 22 2  26 o 38.724  2.1057 11.830   1.2735  10.927   1.7844  12.768   1.8180  37.067  3.0992 40.121  2.9103 -3.053478      4.251462 
1 1 1 22 2  27 o 9.1006  3.9964 -0.2707  1.0974  -1.8581  1.5035  1.5397   1.6056  8.6160  4.0944 14.975  5.3758 -6.359253      6.757502 
1 1 1 22 2  28 o 53.888  1.7035 22.819   1.4391  24.868   2.0336  20.765   2.0367  56.195  2.3084 51.327  2.5311 4.868095       3.425733 
1 1 1 22 2  29 o 36.088  2.1851 10.290   1.2304  10.470   1.7462  10.112   1.7340  36.260  3.1017 35.624  3.1368 0.6357689      4.411392 
1 1 1 22 2  30 f 12.452  4.4793 1.0500   1.1153  0.5003   1.5467  1.6453   1.6096  12.391  5.0508 15.231  5.3916 -2.840145      7.387840 
1 1 1 22 2  31 o 26.706  2.8395 5.6967   1.1706  5.9667   1.6568  5.4276   1.6540  27.095  4.0226 25.766  4.2426 1.328886       5.846425 
1 1 1 22 2  32 o 48.566  1.7906 18.549   1.3633  19.585   1.9741  17.604   1.8849  49.758  2.5392 47.165  2.5588 2.592724       3.604850 
1 1 1 22 2  33 o 34.007  2.2364 9.1520   1.1856  8.6560   1.6923  9.6303   1.6616  32.875  3.3295 34.744  3.0827 -1.868290      4.537463 
1 1 1 22 2  34 o 87.097  1.4510 59.599   1.9812  57.119   2.9390  61.666   2.6823  85.137  2.2021 88.514  1.9330 -3.377853      2.930160 
1 1 1 22 2  35 o 26.042  2.8089 5.4245   1.1286  6.2521   1.6438  4.6864   1.5523  27.748  3.8854 23.854  4.3097 3.894312       5.802547 
1 1 1 22 2  36 f 63.175  1.5386 31.371   1.5237  34.317   2.2676  28.946   2.0575  65.979  2.1924 60.601  2.1657 5.378292       3.081687 
1 1 1 22 2  37 o 81.570  1.4089 52.281   1.8016  53.276   2.6357  51.409   2.4682  82.232  2.0446 80.797  1.9486 1.434570       2.824421 
1 1 1 22 2  38 o 29.743  2.5262 7.0396   1.1667  9.8287   1.7278  4.7015   1.5819  35.047  3.1793 23.847  4.3934 11.20004       5.423078 
1 1 1 22 2  39 o 13.349  4.3721 1.3831   1.0551  1.1401   1.4957  1.6237   1.4885  13.627  5.1370 14.864  5.1910 -1.237538      7.303143 
1 1 1 22 2  40 o 85.627  1.4122 57.630   1.8957  55.079   2.7232  60.028   2.6406  83.577  2.0785 87.287  1.9298 -3.709579      2.836202 
1 1 1 22 2  41 o 29.440  2.7724 6.9280   1.2645  7.2791   1.8054  6.5900   1.7715  29.897  3.9488 28.381  4.1006 1.515671       5.692774 
1 1 1 22 2  42 o 37.996  2.2649 11.444   1.3430  11.519   1.9857  11.380   1.8231  37.865  3.3808 37.704  3.1123 0.1613998      4.595234 
1 1 1 22 2  43 f 43.969  2.1489 15.266   1.4812  14.737   2.0419  15.852   2.1518  42.937  3.0534 44.526  3.1022 -1.588375      4.352821 
1 1 1 22 2  44 o 17.304  4.7501 2.5149   1.3277  3.0336   1.7129  1.7340   2.1015  18.955  5.4644 16.208  6.0932 2.747511       8.184537 
1 1 1 22 2  45 o 23.177  3.5184 4.3943   1.2382  4.4327   1.7448  4.3554   1.7573  22.863  5.0068 22.641  5.0765 0.2216434      7.130171 
1 1 1 22 2  46 o 62.134  1.7502 30.438   1.7048  31.693   2.4356  29.233   2.3869  63.223  2.4574 60.705  2.5082 2.517742       3.511377 
1 1 1 22 2  47 o 22.478  3.2639 4.1245   1.1165  4.8170   1.5982  3.4643   1.5604  23.979  4.4141 20.139  4.9724 3.840385       6.648938 
1 1 1 22 2  48 f 15.380  4.1506 1.9889   1.0240  1.8111   1.3855  2.2030   1.5201  15.069  5.0136 16.358  5.2391 -1.288339      7.251476 
1 1 1 22 2  49 o 64.268  1.5512 32.557   1.5628  34.199   2.3071  31.166   2.1245  65.669  2.2410 62.715  2.1609 2.954304       3.113173 
1 1 1 22 2  50 o 41.155  1.9808 13.407   1.2780  12.817   1.8034  14.002   1.8113  39.920  2.9016 41.775  2.7817 -1.855259      4.019543 
1 1 1 22 2  51 f 59.201  1.6624 27.676   1.5428  27.883   2.2776  27.500   2.0973  59.165  2.4556 58.824  2.2743 0.3403511      3.347005 
1 1 1 22 2  52 o 63.797  1.5451 32.123   1.5453  32.200   2.1673  32.043   2.2039  63.661  2.1717 63.489  2.2143 0.1718025      3.101509 
1 1 1 22 2  53 o 35.461  2.1891 10.040   1.2110  9.7931   1.7203  10.283   1.7051  34.664  3.2018 35.573  3.0882 -0.9092178     4.448438 
1 1 1 22 2  54 o 42.253  1.9537 14.174   1.2941  15.787   1.8441  12.609   1.8164  44.276  2.6693 39.429  2.9603 4.846973       3.985998 
1 1 1 22 2  55 o 30.618  2.5778 7.5733   1.2258  6.0393   1.6251  9.5987   1.8673  26.757  3.9967 34.071  3.5480 -7.314590      5.344357 
1 1 1 22 2  56 o 73.083  1.4920 42.223   1.7093  43.051   2.4407  41.427   2.3948  73.481  2.1188 72.081  2.1193 1.399712       2.996744 
1 1 1 22 2  57 o 7.7685  3.6245 -0.9034  1.0853  -0.4900  1.5102  -1.3450  1.5608  10.094  4.5435 9.1481  4.2934 0.9459372      6.251097 
1 1 1 22 2  58 o 17.337  4.1173 2.6159   1.1024  2.5862   1.5261  2.6482   1.5942  17.030  5.2210 17.211  5.3461 -0.1813717     7.472565 
1 1 1 22 2  59 o 36.217  2.3734 10.578   1.3401  9.4788   1.9956  11.482   1.8085  33.506  3.8705 37.366  3.1157 -3.860611      4.968779 
1 1 1 22 2  60 o 19.194  4.1850 3.2193   1.2238  4.4189   1.8708  2.3221   1.6180  21.902  5.4660 16.233  5.4187 5.668598       7.696752 
1 1 1 22 2  61 o 27.141  3.3094 6.1463   1.3790  5.7791   1.8907  6.5636   2.0156  25.426  4.9212 27.138  4.9190 -1.711750      6.958072 
1 1 1 22 2  62 o 21.981  4.5122 4.2812   1.5028  5.8322   2.0187  2.3531   2.2507  25.270  5.2666 16.688  6.2990 8.582199       8.210659 
1 1 1 22 2  63 o 31.365  2.9385 8.1154   1.4280  6.3213   2.0109  9.9406   2.0283  26.418  5.0394 34.157  3.8553 -7.739344      6.344993 
1 1 1 22 2  64 o 32.681  3.0575 8.8656   1.5482  8.4999   2.3718  9.1371   2.0437  30.542  5.1360 32.486  4.1045 -1.943907      6.574591 
1 1 1 22 2  65 o 11.001  4.5423 0.5534   1.2712  0.7545   1.9435  0.4031   1.6806  13.019  5.5115 11.815  5.0671 1.204282       7.486780 
1 1 1 22 2  66 o 12.751  4.8092 1.2644   1.3113  0.8162   1.9015  1.6709   1.8108  12.939  5.4632 14.419  5.5970 -1.480021      7.821342 
1 1 1 22 2  67 o 17.467  4.7222 2.8619   1.3240  2.8059   1.9585  2.9091   1.7968  16.900  5.9510 17.194  5.7091 -0.2945480     8.246659 
1 1 1 22 3  0  o 17.667  6.6175 3.3138   1.7103  3.3138   1.7103  3.3138   1.7103  17.667  6.6175 17.667  6.6175 0.000000       0.000000 
1 1 1 22 3  1  o 51.233  1.8414 20.608   1.4789  22.505   2.1426  18.882   2.0439  53.499  2.5547 48.924  2.6751 4.575085       3.699005 
1 1 1 22 3  2  o 152.955 1.4747 183.574  3.5360  176.567  4.8858  191.281  5.1240  149.929 2.0787 156.049 2.0946 -6.119614      2.950957 
1 1 1 22 3  3  o 43.559  2.0531 14.903   1.4020  17.196   2.0140  12.747   1.9528  46.671  2.7651 40.110  3.1305 6.560719       4.176778 
1 1 1 22 3  4  o 90.018  1.4750 63.584   2.0815  66.595   2.9701  60.677   2.9179  92.078  2.0576 87.886  2.1178 4.191505       2.952776 
1 1 1 22 3  5  o 85.405  1.4957 57.237   2.0025  55.729   2.7961  58.826   2.8693  84.225  2.1177 86.534  2.1151 -2.308670      2.993016 
1 1 1 22 3  6  f 121.459 1.4279 115.752  2.7188  117.848  3.8819  113.735  3.8090  122.490 2.0216 120.333 2.0191 2.156258       2.857210 
1 1 1 22 3  7  o 122.468 1.4265 117.686  2.7388  118.930  3.8995  116.476  3.8475  123.049 2.0215 121.773 2.0155 1.275482       2.854586 
1 1 1 22 3  8  o 119.219 1.4214 111.526  2.6565  111.581  3.7604  111.471  3.7533  119.185 2.0126 119.127 2.0098 0.5863953E-01  2.844286 
1 1 1 22 3  9  o 73.814  1.5255 42.760   1.7652  39.573   2.4359  46.284   2.5615  70.963  2.1897 76.750  2.1290 -5.786621      3.054044 
1 1 1 22 3  10 o 35.597  2.3393 10.005   1.2982  6.3553   1.8079  13.890   1.8652  28.029  4.2475 41.906  2.8563 -13.87631      5.118560 
1 1 1 22 3  11 o 136.047 1.4387 145.247  3.0684  150.845  4.4410  140.133  4.2446  138.562 2.0445 133.554 2.0273 5.007736       2.879210 
1 1 1 22 3  12 o 172.495 1.5231 233.538  4.1186  233.771  5.8257  233.305  5.8234  172.465 2.1547 172.293 2.1560 0.1721802      3.048164 
1 1 1 22 3  13 o 52.152  1.7791 21.359   1.4545  19.267   2.0189  23.618   2.0974  49.409  2.6157 54.795  2.4417 -5.385216      3.578295 
1 1 1 22 3  14 o 47.734  1.8751 17.899   1.4032  17.453   1.9915  18.338   1.9774  47.003  2.7143 48.197  2.6270 -1.193459      3.777381 
1 1 1 22 3  15 o 81.829  1.4772 52.557   1.8949  54.351   2.6848  50.776   2.6748  83.160  2.0594 80.371  2.1230 2.788177       2.957749 
1 1 1 22 3  16 o 30.023  2.6495 7.1524   1.2342  7.8457   1.7482  6.4633   1.7428  31.299  3.6303 28.288  4.0453 3.010847       5.435375 
1 1 1 22 3  17 o 66.936  1.7205 35.189   1.8054  32.905   2.7366  36.950   2.4024  64.632  2.7009 68.543  2.2358 -3.910492      3.506212 
1 1 1 22 3  18 o 30.329  2.7225 7.3047   1.2806  7.6911   1.9096  6.9888   1.7264  30.895  4.0394 29.470  3.8273 1.425060       5.564608 
1 1 1 22 3  19 o 70.774  1.5746 39.332   1.7470  39.462   2.5432  39.216   2.4039  70.819  2.2908 70.612  2.1716 0.2069244      3.156505 
1 1 1 22 3  20 o 66.867  1.8163 35.133   1.9039  34.617   2.5713  35.760   2.8328  66.303  2.4738 67.362  2.6825 -1.059128      3.649040 
1 1 1 22 3  21 f 83.503  1.5786 54.761   2.0665  56.906   2.9608  52.724   2.8855  85.042  2.2209 81.854  2.2487 3.188339       3.160546 
1 1 1 22 3  22 o 121.597 1.6268 116.143  3.1011  115.255  4.0989  117.332  4.7423  121.033 2.1603 122.045 2.4786 -1.012947      3.287925 
1 1 1 22 3  23 o 109.426 1.6328 94.067   2.8009  97.220   3.7586  90.128   4.2004  111.154 2.1570 106.950 2.5053 4.203842       3.305918 
1 1 1 22 3  24 o 74.943  1.6726 44.130   1.9650  42.194   2.4782  47.410   3.2251  73.221  2.1589 77.536  2.6533 -4.314575      3.420677 
1 1 1 22 3  25 o 57.903  1.9714 26.372   1.7895  24.753   2.3888  28.443   2.7013  56.009  2.7206 60.017  2.8710 -4.008163      3.955343 
1 1 1 22 3  26 o 72.946  1.7177 41.824   1.9643  41.658   2.7712  41.991   2.7848  72.701  2.4315 72.991  2.4337 -0.2898254     3.440209 
1 1 1 22 3  27 o 31.108  2.8786 7.7095   1.3879  9.3241   1.9222  5.9510   2.0060  34.083  3.6545 26.840  4.9499 7.243076       6.152836 
1 1 1 22 3  28 o 56.427  1.7054 25.030   1.5086  26.624   2.3461  23.907   1.9698  58.088  2.5764 55.083  2.2812 3.004959       3.441128 
1 1 1 22 3  29 o 81.876  1.4921 52.667   1.9152  56.404   3.0440  50.219   2.4640  84.597  2.2953 79.882  1.9676 4.715584       3.023189 
1 1 1 22 3  30 o 66.527  1.6610 34.794   1.7322  38.784   2.9942  32.787   2.1238  70.062  2.7261 64.523  2.0996 5.539070       3.440928 
1 1 1 22 3  31 o 36.688  2.2953 10.653   1.3135  12.790   2.2050  9.4780   1.6352  39.962  3.5570 34.462  3.0586 5.499405       4.691130 
1 1 1 22 3  32 o 64.575  1.6152 32.784   1.6351  33.006   2.2364  32.529   2.3966  64.709  2.2046 64.211  2.3809 0.4987946      3.244816 
1 1 1 22 3  33 o 10.355  4.2031 0.3668   1.0654  3.6288   1.5698  -2.4189  1.4507  20.819  4.8926 7.8120  3.7904 13.00710       6.189058 
1 1 1 22 3  34 o 60.715  1.5614 28.981   1.4862  28.293   2.1351  29.627   2.0699  59.889  2.2742 61.305  2.1537 -1.415558      3.132153 
1 1 1 22 3  35 o 33.778  2.2358 9.0390   1.1772  8.4230   1.6989  9.6079   1.6328  32.374  3.3983 34.680  3.0338 -2.306362      4.555465 
1 1 1 22 3  36 o 50.622  1.7926 20.172   1.4226  21.472   2.1898  19.222   1.8713  52.022  2.6943 49.330  2.4198 2.691734       3.621400 
1 1 1 22 3  37 o 92.182  1.5064 66.814   2.1769  63.553   3.1178  69.916   3.0407  89.742  2.2161 94.171  2.0597 -4.428795      3.025500 
1 1 1 22 3  38 o 27.240  3.0776 5.9666   1.2912  7.2961   1.7176  4.2390   1.9580  29.995  3.7334 22.336  5.6017 7.659117       6.731802 
1 1 1 22 3  39 o 76.440  1.7608 46.012   2.1101  47.566   3.0087  44.508   2.9600  77.546  2.4750 75.000  2.5175 2.545479       3.530363 
1 1 1 22 3  40 o 62.983  1.8126 31.254   1.7898  32.312   2.4261  29.990   2.6511  63.913  2.4214 61.492  2.7501 2.420368       3.664134 
1 1 1 22 3  41 o 26.736  3.1000 5.7636   1.2752  6.6019   1.8239  4.9620   1.7836  28.323  4.2379 24.304  4.8513 4.019596       6.441701 
1 1 1 22 3  42 o 43.617  2.0382 15.019   1.3936  16.439   2.0651  13.831   1.8885  45.373  2.9188 41.604  2.9139 3.768845       4.124360 
1 1 1 22 3  43 o 45.547  1.7979 16.357   1.2837  16.332   1.8278  16.381   1.8033  45.298  2.5847 45.378  2.5452 -0.7970810E-01 3.627495 
1 1 1 22 3  44 o 28.482  2.5562 6.4890   1.1292  6.6757   1.5717  6.2898   1.6233  28.623  3.5811 27.692  3.8429 0.9308872      5.252826 
1 1 1 22 3  45 o 29.959  2.5360 7.1774   1.1799  7.2470   1.7053  7.1135   1.6341  29.767  3.7367 29.530  3.6048 0.2372665      5.192045 
1 1 1 22 3  46 o 40.791  2.0096 13.158   1.2850  11.648   1.8331  14.618   1.8020  38.029  3.1018 42.761  2.7020 -4.732689      4.113609 
1 1 1 22 3  47 o 37.931  2.1204 11.431   1.2558  14.158   1.8381  9.0441   1.7197  42.024  2.8063 33.383  3.3306 8.641224       4.355272 
1 1 1 22 3  48 o 49.711  1.7660 19.522   1.3762  19.715   1.9744  19.339   1.9193  49.687  2.5433 49.227  2.4952 0.4598083      3.562925 
1 1 1 22 3  49 o 18.994  3.8772 3.0387   1.1154  4.1517   1.6112  2.0142   1.5458  21.960  4.8129 15.744  5.2963 6.216127       7.156471 
1 1 1 22 3  50 o 30.020  2.6775 7.2633   1.2468  8.0129   1.8483  6.6374   1.6890  31.098  3.8755 28.248  3.9198 2.850075       5.512170 
1 1 1 22 3  51 o 60.331  1.6277 28.765   1.5395  28.862   2.2472  28.678   2.1133  60.153  2.3830 60.019  2.2460 0.1334381      3.274669 
1 1 1 22 3  52 o 38.058  2.1665 11.567   1.2873  11.099   1.8497  12.006   1.7925  36.865  3.2333 38.458  2.9969 -1.592186      4.408603 
1 1 1 22 3  53 o 25.365  3.1661 5.2952   1.2316  2.7820   1.7667  7.6708   1.7177  17.772  5.6435 30.364  3.6839 -12.59186      6.739430 
1 1 1 22 3  54 o 37.124  2.1736 11.033   1.2595  11.113   1.7569  10.948   1.8065  36.884  3.0663 36.549  3.1847 0.3350067      4.420949 
1 1 1 22 3  55 f 26.227  3.0577 5.6611   1.2335  4.1883   1.6385  7.5882   1.8742  21.709  4.9272 29.891  4.1083 -8.182585      6.415246 
1 1 1 22 3  56 o 24.317  3.1683 4.9018   1.1791  4.1719   1.6455  5.6720   1.6904  21.602  4.9634 25.609  4.3672 -4.006323      6.611157 
1 1 1 22 3  57 o 44.919  2.0142 16.100   1.4184  16.367   1.9353  15.790   2.0849  44.866  2.7650 43.894  3.0488 0.9712029      4.115868 
1 1 1 22 3  58 o 32.844  2.6890 8.7888   1.3724  10.091   1.9923  7.6127   1.8932  34.629  3.7289 29.778  4.1699 4.850687       5.593948 
1 1 1 22 3  59 o 9.8666  4.3301 -0.0972  1.2866  0.4882   1.8293  -0.6701  1.8099  12.529  5.3275 10.749  4.8921 1.779813       7.232900 
1 1 1 22 3  60 o 38.302  2.5406 11.910   1.5169  13.208   2.1621  10.652   2.1287  39.741  3.5064 35.401  3.9003 4.340195       5.244730 
1 1 1 22 3  61 o 12.162  4.8206 0.9086   1.3675  2.2070   2.0603  -0.1137  1.8282  16.148  6.0406 11.515  5.1027 4.633126       7.907365 
1 1 1 22 3  62 o 11.070  4.6100 0.4854   1.3256  2.2011   1.9349  -1.0324  1.8199  15.946  5.8753 10.250  4.7520 5.696091       7.556516 
1 1 1 22 3  63 o 7.8232  3.7754 -1.8601  1.3911  -0.9449  1.7953  -3.2349  2.2004  10.233  4.7357 9.3806  4.5775 0.8528280      6.586417 
1 1 1 22 3  64 o 11.622  4.7668 0.7112   1.3882  -1.2746  1.9789  2.6357   1.9480  10.359  4.8529 16.731  5.9304 -6.372108      7.662921 
1 1 1 22 3  65 o 27.553  3.1874 6.4216   1.3513  6.1693   2.0877  6.6036   1.7729  25.361  5.4156 27.172  4.3056 -1.810734      6.918582 
1 1 1 22 4  0  o 55.973  2.4519 24.736   2.1421  24.736   2.1421  24.736   2.1421  55.973  2.4519 55.973  2.4519 0.000000       0.000000 
1 1 1 22 4  1  o 77.230  1.5011 46.816   1.8174  46.972   2.5754  46.663   2.5651  77.304  2.1252 77.049  2.1236 0.2545319      3.004358 
1 1 1 22 4  2  o 72.239  1.5310 40.964   1.7338  40.148   2.4451  41.789   2.4589  71.463  2.1825 72.911  2.1512 -1.448730      3.064495 
1 1 1 22 4  3  o 48.198  1.8476 18.247   1.3960  19.678   1.9799  16.833   1.9687  49.941  2.5372 46.154  2.7331 3.786686       3.729254 
1 1 1 22 4  4  o 119.391 1.4881 111.885  2.7851  108.106  3.7214  116.698  4.1993  117.288 2.0239 121.831 2.1987 -4.543213      2.988401 
1 1 1 22 4  5  o 80.878  1.5380 51.349   1.9500  50.912   2.8894  51.714   2.6424  80.459  2.2908 81.115  2.0780 -0.6553650     3.092854 
1 1 1 22 4  6  o 56.834  1.7472 25.368   1.5567  23.202   2.1763  27.637   2.2276  54.293  2.5570 59.270  2.3974 -4.977421      3.505123 
1 1 1 22 4  7  o 45.387  2.0490 16.191   1.4579  17.087   2.1479  15.426   1.9853  46.464  2.9642 44.150  2.8843 2.313534       4.135895 
1 1 1 22 4  8  o 23.062  3.5102 4.2966   1.2291  4.1448   1.6583  4.4815   1.8307  22.400  4.8619 23.265  5.1552 -0.8648930     7.086170 
1 1 1 22 4  9  o 31.059  2.6219 7.6497   1.2647  6.0270   1.8146  9.1824   1.7635  27.219  4.4029 33.936  3.3590 -6.716457      5.537910 
1 1 1 22 4  10 o 82.753  1.4578 53.756   1.8911  55.698   2.6724  51.808   2.6766  84.177  2.0251 81.176  2.1033 3.001335       2.919741 
1 1 1 22 4  11 o 73.582  1.5204 42.508   1.7538  43.477   2.4730  41.528   2.4875  74.358  2.1215 72.666  2.1837 1.692039       3.044501 
1 1 1 22 4  12 o 95.154  1.4274 71.074   2.1292  74.074   3.0666  68.281   2.9586  97.070  2.0152 93.197  2.0250 3.873917       2.856856 
1 1 1 22 4  13 o 41.741  2.0022 13.697   1.3101  12.331   1.8022  15.227   1.9079  39.432  2.9365 43.863  2.7892 -4.431431      4.049978 
1 1 1 22 4  14 o 92.797  1.4282 67.602   2.0777  66.863   2.9136  68.366   2.9637  92.218  2.0154 93.247  2.0275 -1.028542      2.858729 
1 1 1 22 4  15 o 27.540  2.7892 6.0408   1.1876  5.1892   1.6275  7.0105   1.7367  25.219  4.2690 29.497  3.8474 -4.278189      5.746911 
1 1 1 22 4  16 o 30.125  2.7016 7.2111   1.2623  7.8909   1.9041  6.6781   1.6861  31.292  3.9708 28.777  3.8328 2.515627       5.518838 
1 1 1 22 4  17 o 32.281  2.4421 8.2540   1.2267  7.9499   1.7657  8.5378   1.7055  31.472  3.6462 32.682  3.3776 -1.209351      4.970212 
1 1 1 22 4  18 o 18.771  3.8387 2.8955   1.0915  2.7161   1.5389  3.0770   1.5484  18.174  5.1603 19.259  5.0622 -1.084929      7.228725 
1 1 1 22 4  19 o 135.691 1.4485 144.583  3.0813  145.209  4.7470  144.127  4.0507  135.816 2.2295 135.387 1.9085 0.4289551      2.934837 
1 1 1 22 4  20 o 50.888  1.8011 20.357   1.4368  21.557   2.0232  19.136   2.0410  52.301  2.4676 49.184  2.6569 3.116600       3.625992 
1 1 1 22 4  21 o 43.963  1.8882 15.199   1.3013  15.704   1.8768  14.732   1.8060  44.531  2.7012 43.128  2.6844 1.402576       3.808238 
1 1 1 22 4  22 o 102.667 1.3767 82.769   2.2158  82.699   3.2422  82.831   3.0351  102.518 2.0174 102.625 1.8866 -0.1070862     2.762069 
1 1 1 22 4  23 o 50.243  1.8205 19.851   1.4339  21.146   2.0306  18.563   2.0251  51.782  2.5014 48.422  2.6782 3.359432       3.664656 
1 1 1 22 4  24 o 131.370 1.3946 135.541  2.8721  143.898  4.3439  129.051  3.8283  135.206 2.0494 128.077 1.9067 7.128860       2.799190 
1 1 1 22 4  25 f 52.068  1.7623 21.319   1.4385  23.021   2.1782  20.003   1.9156  54.008  2.5727 50.362  2.4263 3.646118       3.536392 
1 1 1 22 4  26 o 41.616  1.9833 13.633   1.2939  13.840   1.9745  13.477   1.7130  41.705  3.0410 41.223  2.6649 0.4821091      4.043465 
1 1 1 22 4  27 o 51.578  1.7714 20.925   1.4323  19.069   2.1163  22.493   1.9455  49.039  2.7642 53.409  2.3236 -4.370174      3.611037 
1 1 1 22 4  28 o 60.847  1.6095 29.106   1.5353  28.695   2.3261  29.424   2.0436  60.295  2.4609 61.110  2.1332 -0.8142433     3.256787 
1 1 1 22 4  29 o 11.745  4.4981 0.7707   1.1582  0.7678   1.6482  0.7734   1.6279  13.220  5.2759 13.174  5.2476 0.4655266E-01  7.441274 
1 1 1 22 4  30 o 49.300  2.1433 19.158   1.6565  18.674   2.3616  19.627   2.3240  48.424  3.1277 49.680  2.9981 -1.256470      4.332550 
1 1 1 22 4  31 o 24.253  3.8858 4.8083   1.4275  6.1505   1.9227  3.1597   2.1309  27.290  4.6616 19.646  6.1936 7.643604       7.751848 
1 1 1 22 4  32 o 134.807 1.7724 143.024  3.7456  145.497  4.3554  136.002  7.3398  135.876 2.0447 130.640 3.5839 5.235703       4.126150 
1 1 1 22 4  33 o 56.796  2.0300 25.424   1.8074  25.410   2.0502  25.474   3.8289  56.734  2.3052 56.133  4.3860 0.6018829      4.954884 
1 1 1 22 4  34 o 53.419  2.0735 22.501   1.7364  21.737   1.9926  24.912   3.5399  52.447  2.4235 55.596  4.0904 -3.148109      4.754401 
1 1 1 22 4  35 o 15.266  4.9887 1.8372   1.3740  1.8257   1.7580  1.8553   2.2025  15.850  5.6321 16.728  6.2479 -0.8783350     8.411729 
1 1 1 22 4  36 o 46.281  2.1539 16.905   1.5627  15.700   2.1023  18.394   2.3363  44.349  3.0421 47.997  3.1220 -3.647892      4.359079 
1 1 1 22 4  37 o 40.109  2.1253 12.733   1.3316  12.059   2.0079  13.262   1.7790  38.753  3.3377 40.793  2.7988 -2.039776      4.355890 
1 1 1 22 4  38 o 52.106  1.7614 21.389   1.4388  21.292   2.0889  21.476   1.9845  51.841  2.5703 52.093  2.4301 -0.2527237     3.537233 
1 1 1 22 4  39 o 76.409  1.5467 45.949   1.8527  47.406   2.8486  44.881   2.4391  77.405  2.3475 75.396  2.0636 2.009567       3.125596 
1 1 1 22 4  40 o 14.063  4.7539 1.5238   1.2455  0.7346   2.0162  2.0107   1.5837  14.045  5.7507 15.973  5.3610 -1.928006      7.861981 
1 1 1 22 4  41 o 55.952  1.7463 24.681   1.5318  22.997   2.3158  25.991   2.0424  53.712  2.7596 57.303  2.2736 -3.591614      3.575544 
1 1 1 22 4  42 o 32.706  2.5195 8.5397   1.2819  9.0648   1.9758  8.1580   1.6845  33.312  3.8548 31.713  3.4436 1.598799       5.168908 
1 1 1 22 4  43 o 25.939  3.2979 5.4760   1.3107  8.7181   1.9338  2.7208   1.7827  32.633  3.8545 18.007  5.6633 14.62659       6.850590 
1 1 1 22 4  44 o 33.384  2.5138 8.9085   1.3059  8.1767   1.9273  9.5296   1.7757  31.512  3.9909 34.286  3.3465 -2.773088      5.208239 
1 1 1 22 4  45 o 56.835  1.7654 25.509   1.5729  25.814   2.4206  25.287   2.0693  56.884  2.7144 56.428  2.3393 0.4565277      3.583325 
1 1 1 22 4  46 o 21.720  3.5632 3.9076   1.1712  4.7542   1.7187  3.1736   1.6003  23.564  4.8154 19.137  5.1991 4.426682       7.086471 
1 1 1 22 4  47 o 15.623  4.3501 2.0745   1.1047  1.5656   1.5746  2.5679   1.5503  14.592  5.3117 17.313  5.2531 -2.720119      7.470590 
1 1 1 22 4  48 o 12.613  4.5501 1.1559   1.1517  -0.9263  1.5895  3.4570   1.6710  9.8857  4.5315 19.847  5.2790 -9.960825      6.957195 
1 1 1 22 4  49 o 53.163  1.8068 22.381   1.5058  23.070   2.1201  21.679   2.1391  53.719  2.5175 51.964  2.6345 1.754990       3.643936 
1 1 1 22 4  50 o 30.585  2.6831 7.5632   1.2735  8.6479   1.7876  6.4455   1.8146  32.350  3.5851 27.541  4.3472 4.809338       5.634798 
1 1 1 22 4  51 o 9.9170  4.2440 0.0886   1.1744  -0.3471  1.6441  0.5426   1.6781  10.819  4.8144 12.429  5.1825 -1.610455      7.073660 
1 1 1 22 4  52 o 20.249  4.1181 3.5273   1.2627  3.6663   1.8479  3.4056   1.7294  20.083  5.6383 19.427  5.4545 0.6557083      7.844893 
1 1 1 22 4  53 o 39.904  2.1924 12.762   1.3662  13.510   1.9364  12.019   1.9279  40.645  3.0615 38.225  3.2480 2.419941       4.463462 
1 1 1 22 4  54 o 9.0844  4.0388 -0.2702  1.1544  -0.1390  1.6305  -0.4021  1.6346  11.009  4.8516 10.621  4.7579 0.3878021      6.795229 
1 1 1 22 4  55 o 44.702  2.1923 16.000   1.5363  17.535   2.0819  14.166   2.2764  46.365  2.8785 41.232  3.5565 5.133038       4.575433 
1 1 1 22 4  56 o 29.516  3.0787 7.1956   1.4036  8.3712   2.0313  6.1216   1.9416  31.171  4.2692 26.212  4.9053 4.958498       6.502898 
1 1 1 22 4  57 o 38.808  2.4285 12.183   1.4700  10.977   2.0834  13.378   2.0744  36.076  3.7381 40.143  3.3263 -4.067280      5.003816 
1 1 1 22 4  58 o 23.295  3.8510 4.6581   1.3572  7.0222   1.9681  2.5143   1.8742  28.232  4.6058 16.759  5.8264 11.47269       7.426946 
1 1 1 22 4  59 o 19.009  4.5285 3.2372   1.3302  1.5023   1.9127  4.8624   1.8513  14.501  5.7159 22.964  5.2559 -8.463594      7.765100 
1 1 1 22 4  60 o 9.7311  4.2804 -0.0927  1.2636  0.1777   1.8455  -0.3314  1.7338  11.956  5.2180 10.889  4.8875 1.067234       7.149432 
1 1 1 22 4  61 o 26.630  3.4432 6.0105   1.4038  8.5831   2.1060  3.9536   1.8831  31.184  4.4329 20.272  5.6919 10.91178       7.214462 
1 1 1 22 4  62 o 16.530  4.8336 2.5229   1.3317  3.1751   1.9680  1.9720   1.8088  18.056  5.9739 15.146  5.6610 2.909487       8.230121 
1 1 1 22 4  63 o 32.838  2.9395 8.9901   1.4972  9.9433   2.1565  8.1029   2.0804  33.565  4.1895 29.955  4.5753 3.610018       6.203660 
1 1 1 22 4  64 o 13.764  4.8318 1.6799   1.2904  3.1814   2.1338  0.8141   1.6203  17.685  6.2129 12.225  5.0944 5.460610       8.034517 
1 1 1 22 5  0  o 92.064  2.0636 66.626   2.9750  66.626   2.9750  66.626   2.9750  92.064  2.0636 92.064  2.0636 0.000000       0.000000 
1 1 1 22 5  1  o 105.877 1.4202 88.004   2.3573  87.057   3.3193  88.969   3.3484  105.222 2.0122 106.372 2.0080 -1.149796      2.842707 
1 1 1 22 5  2  o 29.737  2.7226 7.0285   1.2551  8.4443   1.7656  5.5824   1.7845  32.481  3.5241 26.123  4.5212 6.357347       5.732401 
1 1 1 22 5  3  f 47.684  1.8592 17.871   1.3898  16.666   1.9799  19.041   1.9514  45.892  2.7649 49.098  2.5440 -3.206200      3.757178 
1 1 1 22 5  4  o 56.677  1.7309 25.238   1.5379  23.684   2.1119  26.993   2.2441  54.839  2.4565 58.546  2.4451 -3.707283      3.465982 
1 1 1 22 5  5  o 99.429  1.4448 77.620   2.2521  76.817   3.5012  78.186   2.9414  98.796  2.2606 99.734  1.8813 -0.9386444     2.941008 
1 1 1 22 5  6  o 84.710  1.4842 56.346   1.9710  54.757   2.9852  57.574   2.6244  83.407  2.2831 85.573  1.9563 -2.165993      3.006570 
1 1 1 22 5  7  o 45.428  1.8497 16.221   1.3173  14.074   1.8569  18.396   1.8691  42.145  2.8270 48.262  2.4787 -6.117195      3.759778 
1 1 1 22 5  8  o 43.044  2.0259 14.572   1.3671  12.392   1.9026  16.898   1.9656  39.487  3.0983 46.211  2.7254 -6.723518      4.126450 
1 1 1 22 5  9  o 67.727  1.5267 36.024   1.6210  36.395   2.3679  35.696   2.2237  68.002  2.2212 67.360  2.1058 0.6418610      3.060761 
1 1 1 22 5  10 f 30.794  2.4666 7.5185   1.1808  8.3235   1.7074  6.7806   1.6347  32.250  3.4297 29.024  3.6751 3.226585       5.026856 
1 1 1 22 5  11 o 40.396  2.0501 12.870   1.2940  14.734   1.8856  11.210   1.7790  43.121  2.8047 37.547  3.0486 5.573456       4.142491 
1 1 1 22 5  12 o 110.884 1.4259 96.546   2.4786  99.678   3.5182  93.459   3.4924  112.573 1.9936 108.995 2.0439 3.577843       2.855196 
1 1 1 22 5  13 o 29.416  2.6981 6.8828   1.2304  6.3197   1.7311  7.4576   1.7490  27.908  4.0771 30.435  3.7447 -2.526577      5.535797 
1 1 1 22 5  14 f 15.559  4.4349 1.9800   1.1344  0.8762   1.5751  3.1693   1.6350  13.295  5.2035 19.529  5.2343 -6.233605      7.380610 
1 1 1 22 5  15 o 115.860 1.4329 105.420  2.6026  107.529  3.7045  103.365  3.6573  116.903 2.0214 114.614 2.0355 2.289322       2.868651 
1 1 1 22 5  16 o 21.774  3.5840 3.8571   1.1808  3.9855   1.6637  3.7267   1.6762  21.875  4.9652 21.132  5.1148 0.7431602      7.128407 
1 1 1 22 5  17 o 22.233  3.4509 4.0087   1.1638  2.9690   1.6184  5.1218   1.6746  18.923  5.2639 24.970  4.4408 -6.046406      6.886879 
1 1 1 22 5  18 o 73.790  1.4705 42.772   1.7011  41.361   2.2619  44.608   2.5810  72.498  1.9902 75.259  2.1876 -2.761032      2.957441 
1 1 1 22 5  19 o 93.142  1.4154 68.140   2.0668  67.638   2.8127  68.730   3.0470  92.715  1.9352 93.433  2.0803 -0.7177277     2.841207 
1 1 1 22 5  20 o 31.880  2.3997 8.0593   1.1905  9.7989   1.6446  6.1444   1.7255  35.063  3.0216 27.463  4.1362 7.599657       5.122287 
1 1 1 22 5  21 f 28.855  2.6341 6.6285   1.1784  6.9699   1.6077  6.2321   1.7323  29.414  3.5590 27.659  4.1208 1.754330       5.444981 
1 1 1 22 5  22 f 66.683  1.5354 34.945   1.6050  35.149   2.1802  34.704   2.3715  66.804  2.0818 66.348  2.2800 0.4562531      3.087493 
1 1 1 22 5  23 o 53.466  1.7242 22.483   1.4452  22.099   1.9519  22.948   2.1501  52.931  2.3523 53.909  2.5441 -0.9780464     3.464943 
1 1 1 22 5  24 o 69.061  1.5361 37.488   1.6631  36.455   2.2543  38.722   2.4635  68.019  2.1142 70.079  2.2424 -2.060349      3.081866 
1 1 1 22 5  25 o 50.720  1.9248 20.254   1.5304  21.306   2.0413  18.903   2.3127  51.941  2.5070 48.746  3.0417 3.194736       3.941636 
1 1 1 22 5  26 o 12.506  4.6346 0.9962   1.2072  1.9151   1.5278  -0.5316  1.9699  15.749  5.2655 11.991  5.3060 3.758893       7.475206 
1 1 1 22 5  27 o 23.438  3.7075 4.4823   1.3169  5.6581   1.6004  2.0159   2.3179  26.320  4.0049 17.321  6.4212 8.999117       7.567786 
1 1 1 22 5  28 o 46.294  2.2519 16.909   1.6343  17.371   2.0693  16.145   2.6643  46.748  2.8371 44.804  3.8302 1.944054       4.766455 
1 1 1 22 5  29 o 17.625  4.6078 2.5952   1.2875  1.8697   1.5574  4.1612   2.2881  15.649  5.3158 22.145  6.2940 -6.496413      8.238483 
1 1 1 22 5  30 o 47.752  1.9403 17.967   1.4525  17.846   1.9151  18.130   2.2285  47.429  2.5855 47.708  2.9949 -0.2795296     3.956544 
1 1 1 22 5  31 o 73.736  1.5570 42.764   1.7998  43.450   2.5058  42.033   2.5866  74.209  2.1540 72.964  2.2613 1.244759       3.123003 
1 1 1 22 5  32 o 79.953  1.5338 50.279   1.9224  48.680   2.6292  52.116   2.8180  78.544  2.1353 81.249  2.2125 -2.704475      3.074817 
1 1 1 22 5  33 o 13.700  4.7015 1.4078   1.2185  1.0074   1.6028  1.9559   1.8754  13.557  5.2648 16.343  5.8161 -2.786454      7.845011 
1 1 1 22 5  34 o 59.813  1.6653 28.166   1.5615  27.425   2.1507  28.991   2.2707  58.898  2.3292 60.543  2.3925 -1.644344      3.339061 
1 1 1 22 5  35 o 33.086  2.5249 8.7193   1.2997  10.359   1.8610  7.1585   1.8160  35.875  3.3477 29.580  4.0204 6.295338       5.231680 
1 1 1 22 5  36 f 26.901  3.1251 5.8408   1.2933  3.8042   1.6629  8.9590   2.0576  21.163  5.0773 33.119  4.0473 -11.95658      6.493024 
1 1 1 22 5  37 o 33.083  2.5567 8.7297   1.3157  7.4566   1.6998  10.632   2.0779  30.278  3.6551 36.207  3.7134 -5.929014      5.210476 
1 1 1 22 5  38 o 35.868  2.6238 10.268   1.4651  10.417   1.8195  9.9937   2.4707  35.955  3.2636 34.732  4.6548 1.222908       5.684906 
1 1 1 22 5  39 o 62.771  1.8196 31.089   1.7906  30.807   2.2454  31.582   2.9675  62.364  2.2967 62.910  3.0089 -0.5460243     3.785327 
1 1 1 22 5  40 o 68.960  1.9163 37.564   2.0717  36.232   2.7113  39.432   3.2112  67.523  2.5614 70.301  2.9138 -2.777702      3.879530 
1 1 1 22 5  41 o 11.746  4.6304 0.7035   1.2553  0.6129   1.6755  0.8194   1.8952  12.797  5.2412 13.789  5.6025 -0.9922266     7.671964 
1 1 1 22 5  42 o 15.046  4.6524 1.8751   1.2088  2.1165   1.5923  1.5467   1.8573  16.148  5.3749 15.159  5.7220 0.9885130      7.850551 
1 1 1 22 5  43 o 24.554  3.4862 4.9565   1.3042  3.9529   1.7059  6.3684   2.0233  21.359  5.1539 27.347  4.8996 -5.988119      7.111172 
1 1 1 22 5  44 o 26.907  3.2393 5.9096   1.3389  7.9059   1.9872  4.2498   1.8120  30.789  4.2287 22.066  5.3039 8.723152       6.783310 
1 1 1 22 5  45 f 28.169  3.0589 6.4529   1.3291  7.0654   1.9692  5.9405   1.8012  28.926  4.4879 26.472  4.5015 2.454277       6.356439 
1 1 1 22 5  46 o 23.279  3.7094 4.5191   1.3083  4.5991   2.1350  4.4711   1.6556  22.627  5.9424 22.737  4.7956 -0.1097946     7.636123 
1 1 1 22 5  47 o 40.827  2.3249 13.334   1.4818  14.221   2.4714  12.837   1.8516  41.462  3.8460 39.794  2.9898 1.668175       4.871461 
1 1 1 22 5  48 o 18.632  4.3505 3.0031   1.2477  3.7212   2.0105  2.5533   1.5911  20.277  5.9418 17.121  5.3448 3.155910       7.991972 
1 1 1 22 5  49 o 16.612  4.5324 2.4057   1.2132  3.4474   1.8381  1.6018   1.6148  19.536  5.6690 14.556  5.3668 4.979499       7.806388 
1 1 1 22 5  50 o 13.909  4.8286 1.5607   1.2870  2.4514   1.8788  0.7732   1.7666  16.886  5.8356 13.035  5.3654 3.851203       7.927251 
1 1 1 22 5  51 o 28.768  3.1403 6.8220   1.3932  9.0943   2.0531  4.8828   1.8967  32.743  4.0891 23.243  5.3203 9.499737       6.710175 
1 1 1 22 5  52 o 9.7047  4.2349 -0.0613  1.2152  -0.1898  1.6999  0.0731   1.7380  11.135  4.9282 11.659  5.0767 -0.5236864     7.075319 
1 1 1 22 5  53 o 16.726  4.4717 2.4767   1.1952  0.9819   1.6281  4.2237   1.7601  13.012  5.2256 21.511  5.2625 -8.499743      7.416239 
1 1 1 22 5  54 o 18.095  4.4819 2.9108   1.2647  5.3068   1.7885  0.5143   1.7887  24.374  4.8513 12.472  5.2842 11.90162       7.173415 
1 1 1 22 5  55 o 19.678  4.6972 3.4772   1.4289  5.1606   2.0923  2.0057   1.9562  23.432  5.7410 15.671  5.8812 7.760825       8.218785 
1 1 1 22 5  56 o 14.126  4.8880 1.6823   1.3184  0.9151   1.9423  2.3379   1.7953  13.469  5.5922 16.258  5.6996 -2.789025      7.984879 
1 1 1 22 5  57 o 42.645  2.3608 14.710   1.5721  22.084   2.5285  10.063   2.0072  51.688  3.1353 34.408  3.7837 17.28062       4.913911 
1 1 1 22 5  58 f 27.280  3.6160 6.3308   1.5083  7.4499   2.3935  5.5938   1.9425  28.199  5.6118 24.636  5.1934 3.563105       7.646116 
1 1 1 22 5  59 o 29.580  3.3520 7.3733   1.5269  7.7427   2.4414  7.1360   1.9569  28.634  5.6396 28.295  4.5673 0.3389111      7.257104 
1 1 1 22 5  60 o 14.136  5.0634 1.7111   1.4236  2.0373   2.2989  1.5082   1.8132  15.762  6.2495 14.147  5.5687 1.615224       8.370575 
1 1 1 22 5  61 o 37.971  2.7629 11.917   1.6334  9.6131   2.5812  13.456   2.1095  31.962  5.3399 39.834  3.4109 -7.872265      6.336291 
1 1 1 22 5  62 f 44.393  2.4583 16.148   1.7042  16.707   2.6719  15.765   2.2126  43.713  3.9414 43.125  3.2978 0.5872078      5.139097 
1 1 1 22 6  0  o 23.042  5.0135 4.7374   1.5869  4.7374   1.5869  4.7374   1.5869  23.042  5.0135 23.042  5.0135 0.000000       0.000000 
1 1 1 22 6  1  o 20.003  3.6138 3.2693   1.0915  1.3928   1.5186  5.2745   1.5698  14.388  5.2196 25.439  4.0740 -11.05063      6.621317 
1 1 1 22 6  2  o 33.596  2.2546 8.9289   1.1805  9.4103   1.6808  8.4602   1.6585  34.346  3.1571 32.524  3.2984 1.821945       4.565788 
1 1 1 22 6  3  o 30.610  2.5230 7.4382   1.1999  6.7047   1.6340  8.2967   1.7678  28.833  3.7004 32.150  3.5677 -3.317188      5.140194 
1 1 1 22 6  4  o 15.106  4.4100 1.8571   1.1094  1.8070   1.4982  1.9179   1.6506  15.459  5.2141 16.012  5.4725 -0.5532370     7.558732 
1 1 1 22 6  5  o 76.277  1.4824 45.701   1.7726  47.643   2.4647  43.621   2.5514  77.810  2.0206 74.428  2.1867 3.381271       2.977278 
1 1 1 22 6  6  o 63.697  1.5705 31.878   1.5682  33.659   2.2133  30.083   2.2223  65.382  2.1593 61.793  2.2941 3.588665       3.150484 
1 1 1 22 6  7  o 16.497  4.4089 2.2493   1.1621  0.8334   1.5740  3.9457   1.7229  13.184  5.1889 21.735  5.1375 -8.550620      7.302008 
1 1 1 22 6  8  o 82.892  1.4465 53.969   1.8796  56.126   2.6144  51.662   2.7042  84.456  1.9747 81.002  2.1296 3.453903       2.904194 
1 1 1 22 6  9  o 45.582  1.9090 16.345   1.3641  16.324   1.8543  16.370   2.0140  45.406  2.6161 45.429  2.8422 -0.2255249E-01 3.862911 
1 1 1 22 6  10 o 9.1913  4.0154 -0.2131  1.0953  -0.6973  1.4761  0.3801   1.6340  9.9774  4.4913 12.421  5.1409 -2.443622      6.826478 
1 1 1 22 6  11 o 48.150  1.8063 18.234   1.3635  17.947   1.8568  18.569   2.0086  47.633  2.4953 48.426  2.6560 -0.7927971     3.644258 
1 1 1 22 6  12 o 87.284  1.4236 59.843   1.9479  60.949   2.6838  58.612   2.8318  88.006  1.9453 86.275  2.0937 1.730766       2.857930 
1 1 1 22 6  13 o 73.528  1.4981 42.479   1.7269  40.512   2.3295  44.877   2.5729  71.728  2.0717 75.476  2.1745 -3.748138      3.003381 
1 1 1 22 6  14 o 30.465  2.4738 7.3704   1.1713  7.5286   1.6272  7.2003   1.6872  30.608  3.4516 29.875  3.6804 0.7334499      5.045670 
1 1 1 22 6  15 o 63.309  1.5705 31.502   1.5587  31.223   2.1415  31.817   2.2732  62.950  2.1700 63.528  2.2825 -0.5778694     3.149397 
1 1 1 22 6  16 o 37.044  2.1644 10.850   1.2514  10.929   1.6876  10.753   1.8653  37.049  2.9296 36.675  3.2789 0.3736420      4.396965 
1 1 1 22 6  17 o 53.623  1.7176 22.615   1.4439  25.638   1.9907  19.259   2.0974  57.029  2.2266 49.285  2.7252 7.743259       3.519155 
1 1 1 22 6  18 o 42.494  2.2513 14.278   1.4944  13.706   2.0571  14.917   2.1747  41.450  3.1903 43.244  3.2312 -1.793949      4.540770 
1 1 1 22 6  19 o 8.7576  3.9833 -0.7080  1.1975  -0.2967  1.5797  -1.2636  1.8361  10.991  4.8113 10.564  4.8527 0.4268103      6.833529 
1 1 1 22 6  20 o 11.186  4.5487 0.4270   1.2505  -0.2742  1.6227  1.4523   1.9624  11.181  4.8860 15.460  5.8706 -4.279248      7.637878 
1 1 1 22 6  21 o 27.146  3.3340 5.9403   1.3890  6.8251   1.7374  4.3734   2.3121  28.981  3.9251 22.702  6.2832 6.279320       7.408472 
1 1 1 22 6  22 o 21.491  4.3629 3.8349   1.4197  2.7539   1.7517  5.9043   2.4236  18.305  5.5905 26.357  6.0003 -8.051981      8.201071 
1 1 1 22 6  23 o 33.473  2.5453 8.9069   1.3256  8.8127   1.7869  9.0222   1.9769  33.091  3.4976 33.397  3.8461 -0.3061829     5.198653 
1 1 1 22 6  24 o 71.135  1.7255 39.822   1.9242  41.488   2.4840  37.321   3.0428  72.521  2.1849 68.636  2.8279 3.885063       3.573635 
1 1 1 22 6  25 o 61.798  1.6870 30.052   1.6344  28.952   2.2325  31.322   2.3991  60.546  2.3521 62.959  2.4307 -2.412292      3.382433 
1 1 1 22 6  26 o 61.455  1.6211 29.713   1.5617  30.473   2.1407  28.848   2.2835  62.141  2.1975 60.419  2.4108 1.721172       3.262070 
1 1 1 22 6  27 o 6.6313  3.2334 -1.9685  1.0919  -3.3679  1.4544  -0.1610  1.6529  7.0485  3.4933 11.445  4.9671 -4.396084      6.072495 
1 1 1 22 6  28 o 57.240  1.7467 25.798   1.5673  27.819   2.0526  22.972   2.4273  59.360  2.2058 53.728  2.8925 5.631279       3.637602 
1 1 1 22 6  29 o 33.983  2.4280 9.1793   1.2850  8.7752   1.6582  9.7867   2.0331  33.043  3.2429 34.762  3.7922 -1.718819      4.989742 
1 1 1 22 6  30 o 15.251  4.6028 1.9056   1.1926  0.8126   1.5677  3.4067   1.8373  13.016  5.1607 20.048  5.6198 -7.031658      7.629899 
1 1 1 22 6  31 o 13.153  4.6982 1.2256   1.2249  1.0946   1.6415  1.3901   1.8398  13.830  5.3399 14.953  5.6828 -1.123131      7.798027 
1 1 1 22 6  32 o 36.666  2.4168 10.687   1.3814  10.093   1.8283  11.478   2.1088  35.402  3.3335 37.688  3.6135 -2.286190      4.916265 
1 1 1 22 6  33 o 9.2334  4.1197 -0.4358  1.2124  -0.5269  1.5931  -0.3104  1.8687  10.602  4.7270 11.887  5.2176 -1.285327      7.040420 
1 1 1 22 6  34 o 45.821  1.9991 16.579   1.4360  17.737   2.0444  15.451   2.0176  47.156  2.7779 43.954  2.9451 3.202057       4.048448 
1 1 1 22 6  35 o 33.290  2.5686 8.8479   1.3301  8.5325   1.8978  9.1524   1.8648  32.336  3.8174 33.575  3.5991 -1.239372      5.246500 
1 1 1 22 6  36 o 41.136  2.1542 13.424   1.3844  13.844   1.9217  12.971   1.9960  41.555  2.9694 40.146  3.1981 1.409458       4.364082 
1 1 1 22 6  37 o 47.257  1.9825 17.652   1.4687  17.176   2.0352  18.169   2.1217  46.340  2.8149 47.652  2.8533 -1.311893      4.008121 
1 1 1 22 6  38 o 52.929  1.9093 22.139   1.5842  21.988   2.0723  22.352   2.4575  52.592  2.5136 52.796  2.9813 -0.2047310     3.899536 
1 1 1 22 6  39 o 7.8748  3.7051 -1.1912  1.1749  0.5203   1.6536  -2.9363  1.6697  12.527  5.1771 8.1572  3.9821 4.369644       6.531445 
1 1 1 22 6  40 o 9.1653  4.0823 -0.3738  1.1850  0.3715   1.6664  -1.1362  1.6854  12.260  5.1421 10.013  4.6177 2.247532       6.911153 
1 1 1 22 6  41 o 42.543  2.0997 14.353   1.4004  13.603   1.9913  15.087   1.9698  41.022  3.1198 43.294  2.9194 -2.271366      4.272706 
1 1 1 22 6  42 o 12.167  4.6838 0.8940   1.2600  1.1564   1.6769  0.5538   1.9095  13.824  5.3804 13.221  5.5217 0.6029081      7.709542 
1 1 1 22 6  43 o 27.147  3.2063 6.0277   1.3381  6.5319   1.7669  5.3495   2.0491  27.895  4.1683 24.646  5.4485 3.249350       6.860055 
1 1 1 22 6  44 o 37.274  2.5839 11.171   1.5005  11.830   1.9131  10.117   2.4189  38.098  3.2338 34.556  4.5779 3.542114       5.604816 
1 1 1 22 6  45 o 10.448  4.4629 0.1218   1.2944  -1.0870  1.6300  2.1851   2.1296  9.7779  4.5205 16.693  6.1616 -6.915292      7.642015 
1 1 1 22 6  46 o 33.894  2.9804 9.3577   1.5675  10.279   2.0581  8.0855   2.4191  35.137  3.7968 30.310  5.2831 4.827038       6.505903 
1 1 1 22 6  47 o 60.762  1.9430 29.360   1.8508  32.472   2.6376  26.341   2.5977  63.512  2.6491 56.976  2.9182 6.535885       3.941276 
1 1 1 22 6  48 f 35.017  2.7550 9.9637   1.5001  9.6321   2.1118  10.301   2.1314  33.737  4.0755 34.973  3.9571 -1.235962      5.680519 
1 1 1 22 6  49 o 29.565  3.4286 7.2775   1.5596  9.1960   2.0942  4.8885   2.3369  32.851  4.1596 22.666  6.3324 10.18461       7.576401 
1 1 1 22 6  50 o 13.036  5.0396 1.1485   1.4635  1.8647   1.9525  0.2302   2.2110  15.467  5.8600 13.109  5.7164 2.358064       8.186400 
1 1 1 22 6  51 f 12.821  5.1623 0.9397   1.5933  1.5838   2.2433  0.2840   2.2633  15.288  6.1361 13.263  5.7837 2.025160       8.432227 
1 1 1 22 6  52 o 40.159  3.0702 13.288   1.9182  14.068   2.9922  12.744   2.4993  39.913  4.8841 38.523  4.2069 1.390541       6.446101 
1 1 1 22 6  53 o 30.671  3.6494 7.9536   1.7203  8.0972   2.7836  7.8649   2.1881  29.006  6.3019 29.700  4.8683 -0.6941891     7.963315 
1 1 1 22 6  54 o 16.119  5.4629 2.3266   1.6447  -0.5900  2.6670  4.1164   2.0892  12.997  5.9244 20.647  6.0588 -7.650016      8.473927 
1 1 1 22 6  55 o 10.839  4.7924 -0.1055  1.6037  -1.5788  2.3183  1.2464   2.2207  11.120  5.2232 14.490  5.9950 -3.370728      7.951197 
1 1 1 22 6  56 o 30.813  3.1422 7.9170   1.4966  9.5310   2.2701  6.6763   1.9904  32.846  4.5292 27.197  4.8459 5.648390       6.633004 
1 1 1 22 6  57 o 15.541  5.0502 2.1929   1.4088  2.2515   2.1197  2.1466   1.8856  16.087  6.1031 15.671  5.7952 0.4156055      8.416149 
1 1 1 22 6  58 o 22.685  4.3769 4.6154   1.5002  5.2240   2.3888  4.2190   1.9277  22.598  6.4339 20.778  5.7317 1.819744       8.616700 
1 1 1 22 6  59 o 7.8149  3.7910 -2.0464  1.4490  -2.6106  2.3115  -1.6813  1.8598  10.045  4.8522 9.5477  4.5421 0.4969559      6.646379 
1 1 1 22 6  60 o 55.267  2.1819 24.750   1.8904  22.438   2.9517  26.358   2.4614  50.963  3.7203 56.461  2.7809 -5.497826      4.644759 
1 1 1 22 6  61 o 22.341  4.7464 4.6989   1.6111  3.7162   2.2680  5.7001   2.2890  18.620  6.4129 23.320  6.1669 -4.699715      8.896931 
1 1 1 22 7  0  o 26.226  4.6626 5.9202   1.7363  5.9202   1.7363  5.9202   1.7363  26.226  4.6626 26.226  4.6626 0.000000       0.000000 
1 1 1 22 7  1  o 54.059  1.7991 22.991   1.5246  21.671   2.1582  24.306   2.1541  52.309  2.6404 55.492  2.4762 -3.183525      3.619825 
1 1 1 22 7  2  o 50.899  1.8586 20.387   1.4830  20.874   1.9672  19.746   2.2571  51.430  2.4400 49.871  2.8995 1.558987       3.789536 
1 1 1 22 7  3  o 16.840  4.2561 2.3555   1.1241  2.1309   1.5083  2.6362   1.6859  16.357  5.2167 17.966  5.4839 -1.609335      7.568807 
1 1 1 22 7  4  o 58.625  1.7003 27.029   1.5627  29.309   2.2448  24.886   2.1767  60.956  2.3491 56.149  2.4729 4.806396       3.410762 
1 1 1 22 7  5  o 12.806  4.5243 1.1595   1.1329  2.0845   1.6028  0.2361   1.6015  16.344  5.3903 12.015  5.0402 4.328107       7.379688 
1 1 1 22 7  6  o 39.133  2.1016 12.100   1.2846  11.102   1.7387  13.299   1.9063  37.324  2.9967 40.871  2.9960 -3.547344      4.237518 
1 1 1 22 7  7  f 45.969  1.9600 16.638   1.4124  16.175   1.8426  17.297   2.1995  45.173  2.6131 46.631  3.0251 -1.457958      3.997422 
1 1 1 22 7  8  o 22.564  3.3133 4.1251   1.1371  5.8252   1.5734  2.2662   1.6452  26.766  3.8615 16.890  5.4548 9.876036       6.683275 
1 1 1 22 7  9  o 23.942  3.1259 4.6195   1.1452  3.3107   1.5464  6.2090   1.7042  19.879  4.9743 27.598  4.0605 -7.718853      6.421164 
1 1 1 22 7  10 o 52.314  1.8254 21.538   1.4970  23.055   1.9422  19.318   2.3498  54.062  2.2916 49.274  3.0571 4.787601       3.820660 
1 1 1 22 7  11 o 65.270  1.7945 33.524   1.8361  34.414   2.3451  32.114   2.9516  66.053  2.2647 63.668  2.9572 2.384975       3.724796 
1 1 1 22 7  12 o 115.581 1.6005 105.045  2.9001  109.921  3.8237  98.442   4.4497  118.109 2.0652 111.621 2.5429 6.488060       3.275849 
1 1 1 22 7  13 o 42.444  2.2555 14.250   1.4954  15.030   1.9434  13.119   2.3414  43.473  2.8677 40.394  3.7399 3.079582       4.712802 
1 1 1 22 7  14 o 61.979  2.1983 30.296   2.1359  27.610   2.7599  34.306   3.3726  58.940  2.9968 65.709  3.2741 -6.768703      4.438532 
1 1 1 22 7  15 o 33.909  2.9497 9.1806   1.5524  7.0975   1.8737  13.740   2.7721  29.490  4.1692 41.150  4.3638 -11.66013      6.035322 
1 1 1 22 7  16 o 42.408  2.2493 14.230   1.4900  13.880   1.8688  14.840   2.4689  41.758  2.8722 42.976  3.7006 -1.217445      4.684448 
1 1 1 22 7  17 o 26.658  3.4766 5.7510   1.4183  5.9480   1.8295  5.4543   2.2454  26.849  4.5064 25.348  5.7789 1.500502       7.328249 
1 1 1 22 7  18 o 54.898  1.9615 23.747   1.6881  25.539   2.1996  21.178   2.6332  56.846  2.4683 51.504  3.2784 5.341362       4.103662 
1 1 1 22 7  19 o 63.736  1.6780 31.966   1.6766  32.193   2.1706  31.629   2.6398  63.880  2.1676 63.212  2.6639 0.6672249      3.434367 
1 1 1 22 7  20 o 48.973  1.9211 18.898   1.4749  19.514   1.9355  18.043   2.2777  49.617  2.4963 47.567  3.0709 2.049362       3.957490 
1 1 1 22 7  21 o 62.591  1.6836 30.833   1.6520  32.145   2.1661  29.009   2.5540  63.824  2.1649 60.520  2.6920 3.304188       3.454512 
1 1 1 22 7  22 o 54.079  1.8175 23.035   1.5409  24.924   2.0143  20.371   2.3924  56.173  2.2873 50.551  3.0330 5.622696       3.798795 
1 1 1 22 7  23 o 48.202  2.0593 18.329   1.5561  19.368   2.0865  17.025   2.3359  49.365  2.7065 46.131  3.2508 3.234631       4.230011 
1 1 1 22 7  24 o 38.315  2.3437 11.647   1.4010  10.941   1.8054  12.715   2.2212  36.951  3.1467 39.726  3.6059 -2.774483      4.785777 
1 1 1 22 7  25 o 37.632  2.3174 11.236   1.3605  10.481   1.8534  12.118   2.0033  36.112  3.3108 38.846  3.3215 -2.734459      4.689770 
1 1 1 22 7  26 o 44.639  2.0271 15.724   1.4185  16.915   1.9672  14.433   2.0474  46.096  2.7345 42.473  3.0962 3.622948       4.130887 
1 1 1 22 7  27 o 63.859  1.6877 32.118   1.6896  31.148   2.3249  33.204   2.4596  62.744  2.3637 64.767  2.4225 -2.022865      3.384569 
1 1 1 22 7  28 o 44.730  2.0419 15.796   1.4318  16.169   1.9745  15.383   2.0792  45.026  2.8114 43.849  3.0436 1.176914       4.143421 
1 1 1 22 7  29 o 58.930  1.7292 27.367   1.5975  27.720   2.2569  27.012   2.2615  59.154  2.4337 58.385  2.4708 0.7695885      3.468130 
1 1 1 22 7  30 o 51.618  1.8516 21.018   1.4983  22.825   2.1160  19.201   2.1218  53.647  2.5160 49.069  2.7696 4.578648       3.741815 
1 1 1 22 7  31 o 33.031  2.5861 8.7134   1.3284  9.8834   1.8833  7.5548   1.8740  34.940  3.4848 30.328  4.0422 4.611250       5.336977 
1 1 1 22 7  32 o 102.375 1.5680 82.559   2.5165  84.149   3.7114  81.207   3.4236  103.065 2.2971 101.311 2.1556 1.753754       3.150127 
1 1 1 22 7  33 f 56.073  2.0614 24.866   1.8121  27.078   2.4466  22.179   2.6971  58.336  2.6752 52.499  3.2937 5.837040       4.243301 
1 1 1 22 7  34 o 32.969  2.6914 8.7109   1.3789  9.0989   2.0542  8.3927   1.8603  33.267  4.0204 32.020  3.7788 1.246632       5.517558 
1 1 1 22 7  35 o 19.869  4.0798 3.3203   1.2282  5.2237   1.8594  1.8469   1.6359  24.734  4.9678 15.498  5.4403 9.235833       7.367210 
1 1 1 22 7  36 o 14.591  4.7211 1.7309   1.2320  0.4223   1.7711  2.9578   1.7149  12.675  5.3077 18.547  5.5020 -5.872005      7.644869 
1 1 1 22 7  37 o 19.691  4.7154 3.3306   1.4363  3.7378   1.9144  2.8063   2.1726  20.641  5.7190 18.382  6.2785 2.258966       8.492735 
1 1 1 22 7  38 o 12.954  4.8106 1.1460   1.3020  0.6652   1.8232  1.6463   1.8600  13.215  5.4463 15.303  5.7365 -2.088473      7.910112 
1 1 1 22 7  39 o 22.118  4.2160 4.1439   1.4085  6.4033   2.1330  2.3971   1.8755  27.189  5.1938 17.049  5.8334 10.13979       7.810525 
1 1 1 22 7  40 f 28.708  3.1901 6.7317   1.4114  5.4380   1.9939  8.0312   1.9983  24.926  5.2676 30.947  4.2296 -6.021660      6.755553 
1 1 1 22 7  41 o 15.854  4.9462 2.1397   1.3629  2.6521   1.8219  1.4886   2.0538  17.559  5.7449 15.202  5.9440 2.356803       8.266486 
1 1 1 22 7  42 o 31.877  2.8919 8.2512   1.4294  9.7254   2.0387  6.8258   2.0047  34.182  3.8729 28.176  4.7044 6.005867       6.093533 
1 1 1 22 7  43 o 35.803  2.5479 10.330   1.4207  12.120   1.9733  8.4040   2.0471  38.448  3.3061 31.507  4.2533 6.940657       5.387120 
1 1 1 22 7  44 o 14.666  4.8024 1.8111   1.2730  1.1947   1.7276  2.5434   1.8831  13.814  5.4364 17.145  5.8452 -3.331469      7.982550 
1 1 1 22 7  45 o 44.665  2.1872 15.941   1.5314  13.583   2.0406  18.982   2.3173  40.665  3.2275 48.202  3.0828 -7.537102      4.463214 
1 1 1 22 7  46 o 30.227  3.0338 7.5085   1.4182  7.8265   1.8775  7.0860   2.1641  30.342  4.0480 28.247  5.0737 2.095573       6.490610 
1 1 1 22 7  47 o 39.618  2.4315 12.673   1.5028  13.523   1.9984  11.567   2.2799  40.523  3.1711 36.940  4.0010 3.583302       5.105280 
1 1 1 22 7  48 o 33.682  2.8633 9.2929   1.4975  9.2736   1.8909  9.3252   2.4528  33.182  3.6978 32.405  4.9882 0.7771301      6.209380 
1 1 1 22 7  49 f 45.870  2.4251 17.010   1.7377  18.717   2.2174  14.294   2.7971  47.761  2.9764 40.594  4.4695 7.167313       5.369837 
1 1 1 22 7  50 o 10.101  4.4418 -0.0936  1.3599  0.8010   1.7037  -1.6646  2.2577  12.733  5.2580 10.918  5.1367 1.814891       7.350673 
1 1 1 22 7  51 o 25.332  3.9105 5.5237   1.5029  3.5954   1.8397  9.3928   2.6060  19.494  5.6756 32.034  5.3800 -12.53946      7.820265 
1 1 1 22 7  52 f 17.055  5.1410 2.6727   1.4884  -0.0605  2.0682  5.6087   2.1436  12.186  5.4123 24.319  5.7188 -12.13305      7.873899 
1 1 1 22 7  53 o 14.667  5.2977 1.8208   1.5619  1.9305   2.3175  1.7295   2.1142  15.765  6.2671 15.141  5.9963 0.6239214      8.673668 
1 1 1 22 7  54 o 16.076  5.1484 2.3668   1.4680  1.5571   2.3110  2.9145   1.9007  15.045  6.1581 17.530  5.8730 -2.485366      8.509638 
1 1 1 22 7  55 o 19.155  5.1680 3.4550   1.5877  5.6144   2.3321  1.5895   2.1675  23.720  6.2016 14.825  6.0029 8.894693       8.631042 
1 1 1 22 7  56 o 14.420  5.5428 1.6940   1.7627  4.1538   2.5203  -0.6612  2.4662  19.928  6.7625 12.219  5.6172 7.708524       8.791111 
1 1 1 22 7  57 o 25.835  4.5842 6.0781   1.7886  3.6249   2.4188  9.0382   2.6570  18.690  6.6101 30.465  5.7746 -11.77459      8.777187 
1 1 1 22 7  58 o 14.853  5.5716 1.9779   1.7552  0.3373   2.6761  3.2164   2.3252  13.520  6.0699 17.684  6.4520 -4.163993      8.858447 
1 1 1 22 7  59 o 26.172  3.8516 6.0704   1.5330  4.4079   2.4229  7.1803   1.9797  19.951  6.6297 27.745  4.7205 -7.794083      8.138565 
1 1 1 22 8  0  o 79.138  2.5305 49.410   3.1321  49.410   3.1321  49.410   3.1321  79.138  2.5305 79.138  2.5305 0.000000       0.000000 
1 1 1 22 8  1  o 71.040  1.8113 39.732   2.0171  42.057   2.5854  36.115   3.2248  73.000  2.2592 67.458  3.0494 5.542206       3.795066 
1 1 1 22 8  2  o 76.994  1.8231 46.675   2.2005  47.795   2.6828  44.371   3.8467  77.834  2.1987 74.697  3.2850 3.136688       3.952869 
1 1 1 22 8  3  o 71.311  2.0935 40.096   2.3403  41.145   3.0265  38.536   3.6910  72.103  2.6775 69.581  3.3838 2.522362       4.314970 
1 1 1 22 8  4  o 54.868  2.5947 23.813   2.2318  25.562   3.1315  22.008   3.1817  56.519  3.5524 52.312  3.9080 4.207161       5.281275 
1 1 1 22 8  5  o 46.144  2.5314 16.885   1.8242  15.449   2.2956  19.346   3.0051  43.937  3.3583 49.016  3.9442 -5.079227      5.180228 
1 1 1 22 8  6  o 43.582  2.7784 15.105   1.8884  14.636   2.4053  15.858   3.0489  42.682  3.6293 44.174  4.4639 -1.491886      5.753101 
1 1 1 22 8  7  o 31.102  3.6663 7.8228   1.7532  8.9841   2.1733  5.6585   2.9669  33.187  4.2769 25.574  7.1316 7.612576       8.315721 
1 1 1 22 8  8  o 60.982  1.9740 29.307   1.8871  28.384   2.4989  30.532   2.8789  59.882  2.6619 62.035  2.9603 -2.152977      3.981112 
1 1 1 22 8  9  o 29.245  3.3084 6.8891   1.4901  5.6696   1.9768  8.4939   2.2677  26.036  5.0252 32.139  4.6348 -6.103340      6.836248 
1 1 1 22 8  10 o 28.454  3.2842 6.5239   1.4380  7.0700   1.8838  5.7614   2.2261  29.393  4.2085 26.080  5.6111 3.312452       7.014024 
1 1 1 22 8  11 o 17.589  4.5558 2.5888   1.2663  1.9809   1.6857  3.3758   1.9182  16.123  5.5302 20.029  5.7852 -3.905518      8.003189 
1 1 1 22 8  12 o 77.893  1.5585 47.725   1.9031  47.176   2.6695  48.291   2.7137  77.310  2.2026 78.216  2.2132 -0.9059906     3.122448 
1 1 1 22 8  13 o 13.390  4.8049 1.2535   1.2825  2.3390   1.9700  0.4549   1.6897  17.416  5.9780 12.666  5.2338 4.750736       7.945362 
1 1 1 22 8  14 o 16.864  4.5491 2.3750   1.2303  2.2907   1.7742  2.4531   1.7075  17.037  5.6738 17.395  5.5506 -0.3582516     7.937362 
1 1 1 22 8  15 o 30.670  2.7590 7.5153   1.3123  7.4239   1.9062  7.5976   1.8094  30.130  4.1455 30.568  3.8620 -0.4376431     5.665751 
1 1 1 22 8  16 o 38.109  2.3942 11.527   1.4231  12.858   2.0393  10.263   1.9868  40.049  3.2769 35.664  3.6031 4.385010       4.870383 
1 1 1 22 8  17 o 38.932  2.3392 12.023   1.4211  14.087   2.1356  10.383   1.9037  41.926  3.2754 35.918  3.4223 6.007687       4.737075 
1 1 1 22 8  18 o 67.412  1.7175 35.787   1.8151  36.127   2.6579  35.489   2.4847  67.554  2.5098 66.993  2.3658 0.5616302      3.449067 
1 1 1 22 8  19 o 91.919  1.5800 66.493   2.2767  64.979   3.3003  67.867   3.1449  90.657  2.3222 92.702  2.1640 -2.045151      3.174207 
1 1 1 22 8  20 o 17.591  4.4677 2.5991   1.2344  3.4168   1.8307  1.9175   1.6715  20.057  5.6052 15.888  5.5035 4.169244       7.855398 
1 1 1 22 8  21 f 85.369  1.5986 57.370   2.1394  60.740   3.1562  54.505   2.9098  87.641  2.2972 83.040  2.2353 4.600906       3.205231 
1 1 1 22 8  22 o 11.234  4.5257 0.5085   1.2253  -2.5306  1.7705  3.3018   1.6974  8.9301  4.2968 19.709  5.3547 -10.77847      6.865505 
1 1 1 22 8  23 o 9.8040  4.2717 -0.1684  1.2323  0.9569   1.8046  -1.1515  1.6868  13.925  5.5320 10.083  4.6390 3.842015       7.219701 
1 1 1 22 8  24 o 17.524  4.5521 2.5890   1.2618  1.9651   1.8057  3.1844   1.7639  16.175  5.7121 19.355  5.5349 -3.180511      7.953877 
1 1 1 22 8  25 o 43.439  2.0939 14.912   1.4259  13.744   1.9849  16.157   2.0496  41.400  3.0804 44.951  2.9245 -3.551861      4.247504 
1 1 1 22 8  26 o 34.115  2.4944 9.2797   1.3248  8.3670   1.8611  10.217   1.8862  32.029  3.7793 35.549  3.4271 -3.519817      5.101777 
1 1 1 22 8  27 o 69.902  1.7048 38.523   1.8682  39.834   2.5144  36.908   2.7912  70.926  2.2614 68.155  2.6124 2.770409       3.455208 
1 1 1 22 8  28 o 109.264 1.5536 94.048   2.6612  89.653   3.5175  99.932   4.0696  106.457 2.1077 112.291 2.3118 -5.833656      3.128419 
1 1 1 22 8  29 o 11.787  4.6094 0.7409   1.2352  0.1213   1.6249  1.5890   1.9011  11.731  5.0054 15.388  5.7934 -3.657094      7.656206 
1 1 1 22 8  30 o 15.323  4.7733 1.9390   1.2698  -0.5303  1.6700  5.3232   1.9551  10.815  4.8295 24.919  5.1739 -14.10458      7.077676 
1 1 1 22 8  31 o 58.643  1.8271 27.167   1.6797  28.334   2.3003  25.834   2.4586  59.702  2.4578 56.905  2.7560 2.796570       3.692731 
1 1 1 22 8  32 o 58.249  1.8544 26.819   1.6933  26.709   2.2631  26.960   2.5524  57.935  2.4918 58.091  2.8027 -0.1563606     3.750230 
1 1 1 22 8  33 o 17.404  4.7297 2.5945   1.3241  4.7787   1.6741  -1.0550  2.1640  23.679  4.6759 11.703  5.3352 11.97577       7.094295 
1 1 1 22 8  34 o 47.224  2.1604 17.699   1.5994  19.614   2.1091  15.109   2.4536  49.459  2.7308 42.991  3.6759 6.468021       4.579248 
1 1 1 22 8  35 o 28.277  3.0194 6.4951   1.3178  6.4466   1.7808  6.5540   1.9592  27.719  4.2322 27.767  4.6665 -0.4714966E-01 6.299800 
1 1 1 22 8  36 o 11.358  4.5989 0.5574   1.2722  0.1158   1.6412  1.2223   2.0137  11.653  5.0027 14.665  5.8380 -3.011922      7.688252 
1 1 1 22 8  37 o 19.946  4.2402 3.4021   1.2850  5.1760   1.7388  1.2674   1.9074  24.530  4.6927 14.493  5.7096 10.03660       7.390570 
1 1 1 22 8  38 o 10.821  4.4691 0.3976   1.2312  -0.1124  1.6140  1.1073   1.9039  11.134  4.8689 14.129  5.6593 -2.994967      7.465534 
1 1 1 22 8  39 o 34.849  2.5888 9.7901   1.4042  9.7292   1.9073  9.8622   2.0749  34.305  3.6002 34.380  3.9198 -0.7456207E-01 5.322236 
1 1 1 22 8  40 o 6.9557  3.3858 -1.9714  1.1827  -2.3967  1.5757  -1.4226  1.7898  8.1649  3.9590 9.9112  4.6343 -1.746267      6.095125 
1 1 1 22 8  41 o 13.069  4.7513 1.2822   1.2593  3.9653   1.7417  -1.6576  1.8231  20.991  5.2936 9.7473  4.5950 11.24371       7.009741 
1 1 1 22 8  42 o 13.601  4.7966 1.4719   1.2728  3.7182   1.7666  -0.9529  1.8355  20.209  5.4509 10.558  4.8507 9.651214       7.296727 
1 1 1 22 8  43 o 9.6805  4.2548 -0.1388  1.2464  -2.1817  1.6450  2.6153   1.9100  8.5662  4.1268 17.193  5.8867 -8.626924      7.189160 
1 1 1 22 8  44 o 23.064  3.9316 4.5597   1.3706  7.1796   1.8623  1.4638   2.0244  28.877  4.2401 14.752  5.8597 14.12488       7.232865 
1 1 1 22 8  45 o 36.535  2.6940 10.876   1.5321  10.497   2.0338  11.373   2.3297  35.288  3.7332 36.451  4.1511 -1.162670      5.582837 
1 1 1 22 8  46 o 53.574  2.0784 22.978   1.7456  23.248   2.3708  22.659   2.5796  53.336  2.8457 52.410  3.1544 0.9258804      4.248309 
1 1 1 22 8  47 o 41.211  2.4362 13.760   1.5669  13.237   2.1138  14.397   2.3345  39.798  3.4213 41.351  3.6384 -1.552734      4.994303 
1 1 1 22 8  48 o 24.767  4.0197 5.3150   1.5072  4.0667   2.0553  6.7673   2.2168  20.519  6.0061 27.045  5.4176 -6.526299      8.088508 
1 1 1 22 8  49 o 27.874  3.6642 6.6185   1.5624  7.9860   2.1260  5.0130   2.3036  29.955  4.6805 22.535  6.2842 7.419695       7.835677 
1 1 1 22 8  50 o 39.617  3.2113 13.079   1.9773  14.439   2.6511  11.374   2.9682  40.803  4.2048 34.931  5.6103 5.871532       7.011142 
1 1 1 22 8  51 o 29.437  3.8927 7.4749   1.7523  9.8244   2.3487  4.5252   2.6317  33.207  4.6385 20.912  6.9076 12.29415       8.320448 
1 1 1 22 8  52 o 15.841  5.5979 2.2744   1.7344  2.2213   2.3224  2.3414   2.6082  16.158  6.3198 16.617  6.6350 -0.4590244     9.163198 
1 1 1 22 8  53 o 17.694  5.8283 3.0354   1.8741  0.8753   2.3777  6.5778   3.0450  13.952  6.0062 24.469  7.3481 -10.51690      9.490513 
1 1 1 22 8  54 o 11.133  4.8986 0.0916   1.6561  0.6474   2.3516  -0.4552  2.3326  13.500  5.8911 12.092  5.5228 1.408350       8.075097 
1 1 1 22 8  55 o 35.854  3.5962 11.067   1.9941  13.335   2.4966  7.0697   3.3142  38.808  4.1690 24.468  7.7252 14.33978       8.778349 
1 1 1 22 8  56 o 9.4338  4.3422 -0.6356  1.4800  -2.1976  2.1106  0.8754   2.0760  9.7168  4.6794 13.137  5.6328 -3.420201      7.322928 
1 1 1 22 8  57 o 30.054  3.5588 7.8756   1.6442  10.458   2.3287  5.3082   2.3217  33.699  4.5220 22.123  6.3572 11.57610       7.801439 
1 1 1 22 9  0  o 8.2815  5.5610 -0.7591  2.0390  -0.7591  2.0390  -0.7591  2.0390  8.2815  5.5610 8.2815  5.5610 0.000000       0.000000 
1 1 1 22 9  1  o 32.321  3.3009 8.4101   1.6490  7.7826   2.0854  9.4573   2.6939  30.747  4.4565 33.656  5.2795 -2.909300      6.908914 
1 1 1 22 9  2  f 19.153  4.9989 3.0967   1.5169  3.2082   1.9036  2.9027   2.5110  19.532  5.7973 19.317  6.7423 0.2148228      8.892001 
1 1 1 22 9  3  o 69.546  2.1505 38.188   2.3446  34.993   2.9880  43.306   3.7822  66.386  2.8711 73.710  3.2731 -7.324104      4.353936 
1 1 1 22 9  4  o 51.671  2.4464 21.126   1.9817  25.419   2.6792  15.939   2.9446  56.458  3.0382 44.263  4.2977 12.19519       5.263187 
1 1 1 22 9  5  o 10.698  4.8168 -0.7430  1.6992  0.8985   2.3589  -2.5131  2.4496  15.242  6.2282 11.267  5.3160 3.974651       8.188390 
1 1 1 22 9  6  o 29.255  4.1423 7.0158   1.8466  10.154   2.7151  4.3142   2.5190  34.953  5.1056 22.437  6.6711 12.51640       8.400680 
1 1 1 22 9  7  o 24.368  4.3199 4.9236   1.5898  3.5253   2.5792  5.7804   2.0190  20.694  6.8385 26.212  5.0970 -5.518002      8.528984 
1 1 1 22 9  8  f 56.418  2.2325 25.151   1.9745  25.966   3.2739  24.685   2.4754  56.818  3.6956 55.684  2.8452 1.134354       4.663967 
1 1 1 22 9  9  o 27.625  3.8870 6.2396   1.6368  5.1979   2.7732  6.7964   2.0276  24.435  6.9236 28.605  4.6836 -4.170776      8.359004 
1 1 1 22 9  10 o 56.272  2.2705 25.031   2.0029  28.091   3.5492  23.602   2.4261  59.027  3.8567 54.437  2.8529 4.590439       4.797144 
1 1 1 22 9  11 o 43.289  2.4791 14.886   1.6754  15.330   2.5371  14.543   2.2310  43.566  3.7514 42.547  3.3725 1.019295       5.044527 
1 1 1 22 9  12 o 28.664  3.4047 6.6526   1.5000  5.4697   2.2913  7.5398   1.9843  25.218  5.9006 30.272  4.3023 -5.053883      7.302573 
1 1 1 22 9  13 o 54.530  2.0156 23.470   1.7230  24.602   2.3931  22.251   2.4828  55.667  2.7423 52.788  3.0127 2.878311       4.073863 
1 1 1 22 9  14 o 68.825  1.8226 37.344   1.9665  36.700   2.7663  38.002   2.7960  68.029  2.5939 69.230  2.5762 -1.201035      3.655851 
1 1 1 22 9  15 o 101.922 1.6484 81.817   2.6338  77.555   3.6695  86.347   3.7827  98.982  2.3648 104.465 2.3098 -5.483437      3.305698 
1 1 1 22 9  16 o 81.525  1.8088 52.403   2.3118  54.123   3.5431  51.128   3.0506  82.540  2.7382 80.341  2.4221 2.199860       3.655695 
1 1 1 22 9  17 o 38.694  2.5301 11.922   1.5263  13.727   2.2107  10.279   2.1098  41.266  3.4489 35.542  3.8480 5.723801       5.167405 
1 1 1 22 9  18 o 31.832  2.8435 8.1237   1.4040  8.0507   2.0203  8.1919   1.9527  31.274  4.2291 31.619  4.0311 -0.3448505     5.842561 
1 1 1 22 9  19 o 37.331  2.4811 11.099   1.4438  10.636   1.9984  11.606   2.0881  36.236  3.5641 37.867  3.5592 -1.631752      5.036969 
1 1 1 22 9  20 o 44.924  2.2849 16.021   1.6038  14.498   2.2140  17.703   2.3265  42.416  3.3570 46.959  3.1790 -4.542835      4.623382 
1 1 1 22 9  21 o 64.900  1.8795 33.250   1.9122  34.163   2.7364  32.379   2.6733  65.552  2.6628 63.815  2.6722 1.737274       3.772433 
1 1 1 22 9  22 o 40.443  2.4592 13.027   1.5517  10.816   2.1418  15.470   2.2513  36.424  3.8072 43.818  3.3016 -7.394165      5.039351 
1 1 1 22 9  23 o 32.103  2.8746 8.2825   1.4314  9.2463   2.0163  7.3032   2.0324  33.602  3.9002 29.591  4.5250 4.011274       5.973839 
1 1 1 22 9  24 o 15.460  4.9332 1.9568   1.3488  1.4118   1.8682  2.5501   1.9493  14.928  5.7138 17.685  5.9475 -2.757288      8.247389 
1 1 1 22 9  25 o 44.584  2.4575 15.840   1.7110  15.178   2.2590  16.732   2.6205  43.334  3.3513 45.356  3.7182 -2.022400      5.005607 
1 1 1 22 9  26 o 20.139  4.4587 3.4461   1.3705  2.4746   1.9286  4.4371   1.9479  17.434  5.9156 22.568  5.5454 -5.134104      8.108403 
1 1 1 22 9  27 o 73.792  1.7861 43.014   2.0661  40.520   2.8753  45.677   2.9710  71.325  2.5715 75.760  2.5016 -4.434914      3.587516 
1 1 1 22 9  28 o 42.313  2.4323 14.289   1.6066  14.934   2.2828  13.656   2.2615  42.891  3.4236 40.947  3.5584 1.944378       4.937914 
1 1 1 22 9  29 o 17.952  4.8151 2.7735   1.3831  3.0343   1.9728  2.5214   1.9395  18.776  5.9636 17.475  5.9323 1.300358       8.411754 
1 1 1 22 9  30 o 64.848  1.8736 33.281   1.9047  33.807   2.7313  32.784   2.6575  65.034  2.6790 64.058  2.6463 0.9761658      3.765653 
1 1 1 22 9  31 o 51.568  2.0815 21.104   1.6828  19.807   2.3440  22.483   2.4172  49.532  3.0333 52.833  2.9299 -3.301556      4.217296 
1 1 1 22 9  32 o 18.448  4.7619 2.9525   1.3865  3.5997   2.0079  2.3625   1.9170  20.114  5.9504 16.964  5.8928 3.149645       8.374537 
1 1 1 22 9  33 o 28.004  3.5562 6.4798   1.5260  4.7445   2.0302  8.7339   2.3138  23.049  5.6599 31.988  4.7591 -8.938721      7.394832 
1 1 1 22 9  34 o 42.243  2.5020 14.323   1.6495  14.386   2.2419  14.249   2.4356  41.904  3.4432 41.520  3.7835 0.3841667      5.115747 
1 1 1 22 9  35 o 16.762  5.0403 2.4446   1.4319  2.4941   1.9320  2.3842   2.1331  17.164  5.9184 17.102  6.1889 0.6215858E-01  8.563287 
1 1 1 22 9  36 o 35.787  2.8402 10.392   1.5804  9.7800   2.2928  10.947   2.1813  33.916  4.4171 36.204  3.9051 -2.287777      5.895808 
1 1 1 22 9  37 o 10.267  4.4324 0.0383   1.3025  0.6142   1.8338  -0.5479  1.8502  12.929  5.4064 11.165  5.0268 1.764186       7.382275 
1 1 1 22 9  38 o 26.767  3.5676 5.9906   1.4597  5.1395   2.0292  6.9034   2.1014  23.769  5.5470 28.007  4.9682 -4.237822      7.446597 
1 1 1 22 9  39 o 21.648  4.2737 4.0689   1.3989  2.3258   1.9241  6.0232   2.0374  16.533  5.8903 25.928  5.1934 -9.395350      7.852875 
1 1 1 22 9  40 o 19.807  4.8250 3.5133   1.4843  2.3296   1.9403  5.1835   2.3047  16.496  5.9110 23.350  6.1943 -6.854368      8.562085 
1 1 1 22 9  41 o 25.368  3.7851 5.4741   1.4593  8.6087   2.1361  2.7313   1.9981  31.489  4.4514 17.412  6.0181 14.07662       7.485485 
1 1 1 22 9  42 o 18.432  5.0591 3.0989   1.5062  2.7464   2.1445  3.4422   2.1161  17.452  6.2184 19.061  6.1891 -1.608694      8.773437 
1 1 1 22 9  43 o 46.138  2.4985 17.259   1.8004  18.359   2.6542  16.321   2.4504  46.728  3.6523 44.108  3.5745 2.619717       5.110394 
1 1 1 22 9  44 o 6.8135  3.4112 -3.9727  1.5417  -2.5761  2.2011  -5.3177  2.1600  9.9349  4.7830 8.0771  4.0430 1.857743       6.262787 
1 1 1 22 9  45 o 18.774  5.2858 3.2903   1.6217  3.8875   2.0536  2.3009   2.6433  20.016  6.0399 16.787  6.6869 3.229097       9.010851 
1 1 1 22 9  46 o 25.888  4.3774 5.9200   1.7132  5.4808   2.1916  6.6102   2.7470  23.829  5.8984 25.484  6.7637 -1.654818      8.974331 
1 1 1 22 9  47 o 59.056  2.3670 28.211   2.1913  25.422   2.9817  31.488   3.2313  54.996  3.4764 61.344  3.3730 -6.348473      4.843811 
1 1 1 22 9  48 o 22.613  5.5323 4.8761   1.9451  1.4121   3.5255  6.3919   2.3322  16.380  7.1786 25.675  5.9159 -9.295158      9.302158 
1 1 1 22 9  49 o 39.611  2.9426 13.001   1.8142  10.445   2.6980  15.111   2.4511  33.553  5.3057 42.022  3.7604 -8.468651      6.503166 
1 1 1 22 9  50 o 14.763  5.3155 1.9152   1.5708  0.7456   2.2243  3.0789   2.2187  13.478  5.8056 17.732  6.3243 -4.253983      8.584948 
1 1 1 22 9  51 o 31.366  3.4162 8.3778   1.6527  7.1436   2.3483  9.5889   2.3263  27.120  5.7043 32.499  4.7028 -5.378237      7.392878 
1 1 1 22 9  52 o 8.4658  4.0361 -1.4966  1.4850  -3.6031  2.1129  0.5599   2.0877  8.7657  4.3193 12.796  5.5679 -4.030602      7.046878 
1 1 1 22 9  53 o 12.889  5.0801 1.2501   1.5107  0.9527   2.1614  1.5342   2.1124  13.428  5.7524 14.304  5.8750 -0.8761759     8.222210 
1 1 1 22 9  54 o 16.950  5.2488 2.8329   1.5380  2.5826   2.1642  3.0882   2.1861  16.175  6.1596 17.225  6.2604 -1.049913      8.782549 
1 1 1 22 9  55 o 17.279  5.4528 3.0391   1.6514  1.3381   2.1953  5.2559   2.5061  13.815  5.8537 21.433  6.7105 -7.617968      8.904879 
1 1 1 22 10 0  o 19.116  7.7007 4.0954   2.2494  4.0954   2.2494  4.0954   2.2494  19.116  7.7007 19.116  7.7007 0.000000       0.000000 
1 1 1 22 10 1  o 17.011  4.8643 2.4308   1.3624  3.6862   2.0019  1.3478   1.8594  20.720  5.8866 14.850  5.6965 5.869243       8.191575 
1 1 1 22 10 2  o 9.3645  4.2352 -0.6552  1.3305  -0.4063  1.8898  -0.8999  1.8737  11.798  5.2100 11.062  5.0124 0.7354326      7.229629 
1 1 1 22 10 3  o 56.329  2.0133 25.060   1.7779  25.617   2.5143  24.503   2.5143  56.743  2.8264 55.401  2.9051 1.341980       4.053193 
1 1 1 22 10 4  o 37.632  2.5660 11.288   1.5048  12.531   2.1375  10.067   2.1188  39.388  3.4981 35.136  3.9132 4.252262       5.248812 
1 1 1 22 10 5  o 54.063  2.0536 23.093   1.7405  25.286   2.4888  20.995   2.4350  56.375  2.8161 51.219  3.0464 5.155312       4.148593 
1 1 1 22 10 6  o 16.227  4.9970 2.1761   1.3962  1.6152   1.8201  2.9779   2.1763  15.352  5.6904 19.016  6.2817 -3.663479      8.475820 
1 1 1 22 10 7  o 65.128  1.8717 33.472   1.9110  35.159   2.6963  31.768   2.7088  66.548  2.5845 63.210  2.7336 3.337772       3.761941 
1 1 1 22 10 8  o 49.277  2.1732 19.207   1.6788  20.606   2.4295  17.930   2.3223  50.723  3.0698 47.274  3.1517 3.448578       4.399644 
1 1 1 22 10 9  o 15.682  4.9401 2.0131   1.3559  1.0481   1.8693  3.0845   1.9697  14.231  5.6375 19.119  5.9432 -4.888062      8.191642 
1 1 1 22 10 10 o 35.160  2.6962 9.8844   1.4748  9.8253   2.0154  9.9525   2.1638  34.735  3.7612 34.866  4.0333 -0.1308174     5.514898 
1 1 1 22 10 11 f 35.506  2.8007 10.097   1.5463  11.835   2.1157  8.1039   2.2654  38.216  3.5730 31.132  4.7958 7.083755       5.980444 
1 1 1 22 10 12 o 16.467  5.0043 2.2600   1.4061  1.1757   1.8803  3.6358   2.1180  14.497  5.6821 20.545  6.1192 -6.048038      8.350440 
1 1 1 22 10 13 o 39.568  2.8335 12.536   1.7459  14.014   2.2298  10.195   2.8068  41.642  3.4468 34.731  5.3250 6.910858       6.343179 
1 1 1 22 10 14 o 29.278  3.4950 6.9811   1.5725  6.1412   1.9547  8.5216   2.6472  26.997  4.7942 31.585  5.5488 -4.588457      7.333017 
1 1 1 22 10 15 o 12.296  5.0217 0.5665   1.5325  0.0675   1.8951  1.5097   2.6053  12.492  5.3697 16.611  6.6318 -4.119134      8.533131 
1 1 1 22 10 16 o 43.917  2.5958 15.392   1.7792  16.674   2.2833  13.410   2.8387  45.501  3.2219 40.225  4.5836 5.276615       5.602677 
1 1 1 22 10 17 o 13.175  4.9839 1.1044   1.4109  0.3933   1.8522  2.0875   2.1779  12.895  5.4155 16.913  6.2331 -4.017933      8.257061 
1 1 1 22 10 18 o 50.180  2.2087 19.958   1.7375  21.355   2.3441  18.254   2.5884  51.622  2.9084 47.477  3.5024 4.144444       4.552527 
1 1 1 22 10 19 o 49.929  2.3925 19.803   1.8726  20.753   2.6491  18.853   2.6476  50.689  3.3526 48.227  3.5264 2.462082       4.865712 
1 1 1 22 10 20 o 17.685  5.1202 2.6730   1.5010  5.2955   2.2394  0.5338   2.0226  24.537  5.8954 13.571  5.6766 10.96610       8.184113 
1 1 1 22 10 21 o 76.226  1.9835 45.988   2.3703  44.209   3.3478  47.777   3.3563  74.343  2.8726 77.341  2.7682 -2.997849      3.989297 
1 1 1 22 10 22 o 63.319  1.9332 31.726   1.9190  32.565   2.6967  30.866   2.7313  63.867  2.6934 62.131  2.8042 1.735741       3.888187 
1 1 1 22 10 23 o 29.165  3.1804 6.9186   1.4305  8.1297   2.0469  5.7623   2.0000  31.206  4.2981 25.858  5.1151 5.348513       6.681182 
1 1 1 22 10 24 o 31.756  2.9985 8.1643   1.4751  7.0587   2.0923  9.2568   2.0799  28.802  4.8032 33.415  4.0535 -4.612724      6.284976 
1 1 1 22 10 25 o 47.557  2.4097 18.062   1.7907  21.956   2.5079  14.011   2.5576  52.148  3.0815 41.187  4.0121 10.96101       5.058856 
1 1 1 22 10 26 o 8.8466  4.0898 -0.9577  1.3340  -0.9276  1.9012  -0.9869  1.8723  10.967  5.0001 10.797  4.9377 0.1704359      7.027277 
1 1 1 22 10 27 o 35.957  2.7829 10.430   1.5565  10.757   2.2195  10.113   2.1834  35.993  4.0013 34.854  4.0728 1.139294       5.709509 
1 1 1 22 10 28 o 51.604  2.1260 21.170   1.7199  18.762   2.3634  23.882   2.5075  48.083  3.1529 54.382  2.9523 -6.298950      4.319349 
1 1 1 22 10 29 o 13.032  4.7952 1.2172   1.2882  1.8187   1.7460  0.4985   1.9085  15.376  5.5938 13.029  5.4856 2.347131       7.834743 
1 1 1 22 10 30 o 7.6800  3.6662 -1.5142  1.2336  -0.3722  1.7054  -2.7676  1.7866  11.010  4.9011 8.6382  4.1947 2.371645       6.451114 
1 1 1 22 10 31 o 32.154  2.8080 8.3898   1.4012  6.4188   1.8594  10.981   2.1318  27.366  4.4898 36.337  3.7984 -8.970528      5.880976 
1 1 1 22 10 32 o 8.4928  3.9185 -0.8151  1.2157  -0.6171  1.6445  -1.0538  1.8054  10.413  4.7089 10.385  4.7857 0.2785206E-01  6.713920 
1 1 1 22 10 33 o 15.054  4.9161 1.9258   1.3344  1.5975   1.6877  2.4733   2.1794  14.621  5.4675 17.197  6.2508 -2.575874      8.304574 
1 1 1 22 10 34 o 40.239  2.4947 13.062   1.5659  13.008   2.0113  13.145   2.4953  39.766  3.2548 39.448  4.0946 0.3173141      5.230673 
1 1 1 22 10 35 o 25.702  3.5259 5.5379   1.3832  6.0013   1.8664  4.9734   2.0602  26.141  4.7285 23.206  5.7036 2.934425       7.408751 
1 1 1 22 10 36 o 12.004  4.8022 0.8026   1.3691  0.5620   1.8884  1.0692   1.9878  12.845  5.4351 13.957  5.7118 -1.111856      7.884429 
1 1 1 22 10 37 o 17.074  5.2703 2.6371   1.5520  1.1835   2.1775  4.1382   2.2128  14.473  5.9569 20.774  6.2698 -6.300697      8.648448 
1 1 1 22 10 38 o 32.545  3.1633 8.7786   1.5935  9.3351   2.1260  8.0651   2.4073  32.907  4.2183 29.764  5.3563 3.142656       6.817877 
1 1 1 22 10 39 o 16.854  5.2723 2.5902   1.5473  1.9985   1.8672  3.8875   2.7648  15.508  5.7604 19.869  7.0627 -4.361317      9.113944 
1 1 1 22 10 40 o 23.379  4.5632 4.8704   1.6124  4.8919   1.9843  4.8286   2.7665  22.778  5.5970 21.694  7.0782 1.083597       9.023735 
1 1 1 22 10 41 o 11.061  4.7599 0.2337   1.4922  -0.2101  1.9108  0.9274   2.3889  11.555  5.1625 14.259  6.0762 -2.703897      7.973163 
1 1 1 22 10 42 o 12.432  4.9643 0.9662   1.4601  -0.8946  1.9665  3.2525   2.1798  10.820  4.9892 18.351  6.2887 -7.531086      8.027455 
1 1 1 22 10 43 o 35.881  2.9310 10.649   1.6343  9.5413   2.2159  11.971   2.4201  32.906  4.4061 37.040  4.2444 -4.133846      6.117900 
1 1 1 22 10 44 o 30.704  3.1692 7.8933   1.5035  7.7047   2.0298  8.1224   2.2378  29.388  4.5532 29.870  4.9525 -0.4819355     6.727471 
1 1 1 22 10 45 o 26.895  3.7313 6.2294   1.5308  7.6268   2.0666  4.5306   2.2787  29.097  4.6901 21.149  6.3579 7.947519       7.900595 
1 1 1 22 10 46 o 40.471  2.7583 13.498   1.7395  12.250   2.4542  14.759   2.4661  37.311  4.2729 41.403  3.8433 -4.092148      5.746998 
1 1 1 22 10 47 o 29.359  3.7343 7.4443   1.6798  7.5042   2.4654  7.3924   2.2950  27.730  5.8549 27.897  5.4432 -0.1663094     7.994275 
1 1 1 22 10 48 o 12.651  5.1073 1.0474   1.5639  -1.2084  2.0636  4.0915   2.3972  10.596  4.9613 19.734  6.5957 -9.138343      8.253349 
1 1 1 22 10 49 f 27.952  3.9668 6.8874   1.6895  9.4690   2.2967  3.8431   2.4940  32.174  4.6914 18.998  6.7128 13.17611       8.189721 
1 1 1 22 10 50 o 33.394  3.4579 9.5888   1.7840  8.6170   2.3684  10.864   2.7125  30.062  5.2146 33.704  5.3095 -3.641548      7.441958 
1 1 1 22 10 51 f 42.240  2.7008 14.838   1.7791  15.665   2.5013  13.992   2.5310  42.229  3.8196 39.528  4.1462 2.700863       5.637419 
1 1 1 22 10 52 o 11.169  4.7849 0.4984   1.4957  1.2942   2.1289  -0.2773  2.1018  13.676  5.7778 11.454  5.2357 2.221603       7.797139 
1 1 1 22 11 0  o 19.202  7.1939 4.0082   2.0210  4.0082   2.0210  4.0082   2.0210  19.202  7.1939 19.202  7.1939 0.000000       0.000000 
1 1 1 22 11 1  o 17.103  5.0627 2.4772   1.4532  4.9879   2.1783  0.4637   1.9507  23.860  5.8651 13.282  5.5667 10.57733       8.086229 
1 1 1 22 11 2  o 41.917  2.4247 14.003   1.5865  14.074   2.2700  13.935   2.2182  41.653  3.5092 41.472  3.4430 0.1803360      4.916113 
1 1 1 22 11 3  o 29.026  3.4881 6.8773   1.5554  9.8858   2.4293  4.7871   2.0249  34.417  4.6191 23.452  5.5872 10.96477       7.249366 
1 1 1 22 11 4  o 61.143  1.9542 29.563   1.8731  29.011   2.6402  30.122   2.6579  60.295  2.7932 61.451  2.7590 -1.156406      3.926125 
1 1 1 22 11 5  o 21.850  4.2072 4.0129   1.3888  3.4130   1.9582  4.6200   1.9700  19.849  5.8773 23.047  5.5244 -3.198065      8.066084 
1 1 1 22 11 6  o 51.362  2.2771 20.930   1.8335  24.098   2.5026  17.258   2.6939  54.827  2.9222 46.024  3.7667 8.803341       4.767309 
1 1 1 22 11 7  o 46.426  2.2229 17.092   1.6178  16.907   2.2491  17.290   2.3289  45.807  3.1511 46.294  3.2292 -0.4863930     4.511918 
1 1 1 22 11 8  o 15.763  4.8662 2.0726   1.3231  1.4868   1.8717  2.6576   1.8706  15.051  5.7291 17.830  5.8206 -2.778704      8.167110 
1 1 1 22 11 9  o 19.123  4.5996 3.1254   1.3621  1.8712   1.8955  4.4646   1.9586  15.942  5.8241 22.613  5.5631 -6.670888      8.054075 
1 1 1 22 11 10 o 25.151  3.6652 5.2167   1.4026  2.8361   1.9239  7.9177   2.0493  18.305  5.8972 30.810  4.3649 -12.50499      7.336858 
1 1 1 22 11 11 o 28.446  3.3243 6.5972   1.4545  4.3751   1.9767  9.2206   2.1478  22.342  5.6424 33.347  4.2019 -11.00490      7.035106 
1 1 1 22 11 12 o 13.796  4.8851 1.4258   1.3215  1.1791   1.8761  1.6686   1.8617  14.383  5.6637 15.399  5.7456 -1.016455      8.067825 
1 1 1 22 11 13 o 48.000  2.2474 18.294   1.6911  19.180   2.4064  17.429   2.3771  48.748  3.1660 46.407  3.2887 2.340549       4.565032 
1 1 1 22 11 14 o 54.030  2.0677 23.138   1.7513  20.763   2.4956  25.443   2.4583  50.721  3.1542 56.405  2.7802 -5.684738      4.204567 
1 1 1 22 11 15 o 34.192  2.8152 9.4167   1.4956  12.132   2.2275  7.1885   2.0181  38.467  3.7412 29.194  4.5585 9.272537       5.897195 
1 1 1 22 11 16 o 50.177  2.1706 19.989   1.7074  20.398   2.4266  19.587   2.4029  50.273  3.0940 49.243  3.1289 1.030041       4.400343 
1 1 1 22 11 17 o 30.133  3.0395 7.3685   1.4162  6.9368   1.9448  7.8558   2.0664  28.675  4.4721 30.562  4.4430 -1.886944      6.303971 
1 1 1 22 11 18 o 32.877  2.8142 8.7234   1.4365  8.4244   1.9319  9.0931   2.1483  31.869  3.9517 32.988  4.2533 -1.118416      5.805704 
1 1 1 22 11 19 o 56.591  1.9345 25.378   1.7162  29.031   2.4111  21.627   2.4435  60.284  2.5512 51.755  3.0249 8.529167       3.957096 
1 1 1 22 11 20 o 22.904  3.8516 4.3965   1.3339  3.5806   1.7657  5.4809   2.0357  20.130  5.4581 24.984  5.3583 -4.854229      7.648621 
1 1 1 22 11 21 f 38.207  2.4623 11.703   1.4670  11.521   1.9286  11.954   2.2598  37.574  3.3079 38.022  3.8440 -0.4476738     5.071347 
1 1 1 22 11 22 o 17.444  4.8622 2.6474   1.3794  2.9851   1.7790  2.1381   2.1846  18.426  5.6350 16.723  6.2271 1.702717       8.398171 
1 1 1 22 11 23 o 38.016  2.6012 11.632   1.5409  10.189   1.9400  14.098   2.5364  35.163  3.5687 41.185  3.9780 -6.021835      5.344204 
1 1 1 22 11 24 o 43.971  2.4085 15.499   1.6539  14.252   2.1186  17.445   2.6465  41.775  3.2609 45.983  3.7027 -4.207794      4.933893 
1 1 1 22 11 25 o 24.857  3.7935 5.1862   1.4314  6.3812   1.8400  3.3542   2.2782  27.312  4.4507 19.346  6.4287 7.965855       7.818962 
1 1 1 22 11 26 o 37.216  2.7398 11.211   1.5873  11.033   2.0445  11.479   2.5182  36.497  3.6212 36.740  4.4638 -0.2429619     5.747950 
1 1 1 22 11 27 o 15.931  5.1617 2.1843   1.4723  1.6729   1.9018  2.9493   2.3259  15.159  5.7738 18.366  6.4834 -3.207107      8.681661 
1 1 1 22 11 28 f 50.212  2.2245 20.150   1.7510  20.695   2.4447  19.576   2.5091  50.340  3.1132 48.836  3.2966 1.503513       4.534260 
1 1 1 22 11 29 o 34.986  2.8563 9.9757   1.5529  10.287   2.1821  9.6563   2.2105  34.869  4.0684 33.637  4.2897 1.231468       5.912096 
1 1 1 22 11 30 o 12.786  5.0454 1.0001   1.4918  1.8764   2.1227  0.1451   2.0969  15.775  6.0775 12.751  5.5636 3.023896       8.239582 
1 1 1 22 11 31 o 19.742  5.2509 3.5537   1.6534  4.6673   2.1309  1.8692   2.6209  22.262  5.9791 16.387  6.6130 5.874950       8.915174 
1 1 1 22 11 32 o 16.778  5.5951 2.5190   1.7251  1.7967   2.0608  4.2101   3.1534  15.428  5.9758 20.695  7.5194 -5.267245      9.604753 
1 1 1 22 11 33 o 10.641  4.8317 -0.6039  1.7524  -0.3879  1.8935  -1.8933  4.6257  11.354  5.1012 15.551  7.3275 -4.196962      8.928343 
1 1 1 22 11 34 o 38.800  3.0636 12.424   1.8483  12.856   2.3152  11.665   3.0690  38.926  3.8443 35.534  5.7022 3.391609       6.877085 
1 1 1 22 11 35 o 36.500  3.2520 11.091   1.8413  10.855   2.2816  11.532   3.1180  35.448  4.1866 35.082  5.8773 0.3661919      7.215932 
1 1 1 22 11 36 o 26.305  4.4056 6.1008   1.7525  10.281   2.4395  1.6435   2.5192  34.041  4.6965 15.576  6.4087 18.46446       7.945341 
1 1 1 22 11 37 o 33.615  3.2182 9.4369   1.6752  9.0853   2.2331  9.8893   2.5334  32.019  4.5792 33.030  5.0533 -1.010784      6.819468 
1 1 1 22 11 38 o 22.738  4.7707 4.7014   1.6463  3.0924   2.1759  6.8558   2.5178  17.950  6.2758 26.431  6.1862 -8.480219      8.812152 
1 1 1 22 11 39 o 9.5577  4.4296 -0.9159  1.5793  -0.0908  2.0366  -2.1601  2.5011  11.971  5.3405 10.995  5.2407 0.9761658      7.482364 
1 1 1 22 11 40 o 24.297  4.6614 5.3456   1.7109  8.3030   2.2016  0.8366   2.7185  30.298  4.7948 14.535  6.3385 15.76307       7.947776 
1 1 1 22 11 41 o 37.633  3.0247 11.787   1.7693  11.142   2.3679  12.603   2.6623  35.527  4.3420 37.536  4.6220 -2.008812      6.341622 
1 1 1 22 11 42 o 12.021  4.9787 0.7398   1.5340  -0.5678  2.0119  2.5556   2.3709  11.232  5.1298 16.718  6.4278 -5.485867      8.223825 
1 1 1 22 11 43 o 19.415  5.0817 3.5680   1.5647  2.9161   2.1982  4.2376   2.2278  17.318  6.2802 20.330  6.3207 -3.011982      8.910242 
1 1 1 22 11 44 o 24.418  4.3494 5.3625   1.6039  4.6922   2.2649  6.0369   2.2716  21.303  6.3239 24.609  5.9531 -3.305813      8.685083 
1 1 1 22 11 45 o 20.709  4.7945 4.0124   1.5259  2.6733   2.1250  5.4377   2.1923  16.639  6.1523 23.191  5.9886 -6.552525      8.585661 
1 1 1 22 11 46 o 20.721  5.0926 4.1236   1.6425  4.9916   2.4058  3.3659   2.2479  21.555  6.5448 18.019  6.3722 3.535906       9.134539 
1 1 1 22 11 47 o 31.494  3.4181 8.5365   1.6605  9.7162   2.3797  7.4169   2.3182  32.261  4.8559 27.426  5.5816 4.834885       7.398310 
1 1 1 22 11 48 o 20.656  5.0419 4.1508   1.6184  2.8070   2.2529  5.5835   2.3262  16.585  6.2920 22.795  6.2998 -6.210083      8.903748 
1 1 1 22 11 49 o 12.940  5.1475 1.3259   1.5644  1.8098   2.1735  0.8058   2.2535  14.551  5.9658 13.101  5.7404 1.449813       8.279062 
1 1 1 22 11 50 o 8.0424  3.8964 -1.8882  1.5184  -2.0328  2.1246  -1.7374  2.1707  9.6976  4.6764 10.056  4.8175 -0.3587589     6.713914 
1 1 1 22 12 0  o 27.945  6.0721 7.1119   2.3314  7.1119   2.3314  7.1119   2.3314  27.945  6.0721 27.945  6.0721 0.000000       0.000000 
1 1 1 22 12 1  o 23.108  4.4952 4.5580   1.5698  3.8738   2.3609  5.1002   2.1017  20.820  6.5124 23.986  5.6776 -3.165966      8.639771 
1 1 1 22 12 2  o 20.242  4.6143 3.5304   1.4317  4.5455   2.0884  2.6303   1.9665  22.569  5.8532 17.688  5.9736 4.881571       8.363246 
1 1 1 22 12 3  o 34.943  2.8547 9.8577   1.5501  11.359   2.2237  8.4381   2.1620  37.088  3.8821 31.641  4.4841 5.447546       5.931099 
1 1 1 22 12 4  o 46.772  2.3078 17.415   1.6921  15.204   2.3767  19.687   2.4098  43.126  3.5468 49.322  3.1328 -6.196163      4.732307 
1 1 1 22 12 5  o 8.2465  3.9220 -1.6067  1.3848  0.1215   1.9625  -3.3206  1.9544  12.625  5.4458 8.8284  4.3094 3.796841       6.944606 
1 1 1 22 12 6  o 16.260  4.9830 2.2536   1.3903  5.1954   2.0008  -0.4929  1.9333  24.312  5.3911 11.634  5.1956 12.67797       7.487262 
1 1 1 22 12 7  o 10.161  4.4488 -0.1626  1.3510  2.1646   1.9640  -2.2531  1.8614  16.555  5.9454 9.3881  4.4876 7.167289       7.448906 
1 1 1 22 12 8  o 26.944  3.6818 6.0179   1.5144  5.0642   2.1228  7.0064   2.1612  23.826  5.7491 28.499  5.0209 -4.672634      7.632977 
1 1 1 22 12 9  o 70.650  1.8632 39.540   2.0636  40.272   2.8805  38.769   2.9576  70.953  2.5897 69.549  2.7127 1.404282       3.750355 
1 1 1 22 12 10 o 47.454  2.4413 18.022   1.8100  18.262   2.6644  17.816   2.4665  47.191  3.6293 46.740  3.3892 0.4511337      4.965699 
1 1 1 22 12 11 o 35.765  2.7615 10.323   1.5363  7.4173   2.0895  13.744   2.2668  29.475  4.6782 40.924  3.5690 -11.44862      5.884157 
1 1 1 22 12 12 o 27.905  3.4871 6.4263   1.4922  4.0220   2.0021  9.4306   2.2380  21.154  5.8437 33.448  4.3728 -12.29406      7.298637 
1 1 1 22 12 13 o 52.930  2.1585 22.293   1.7911  25.581   2.6018  19.332   2.4693  56.259  2.9605 48.733  3.2508 7.525410       4.396856 
1 1 1 22 12 14 o 32.011  3.1786 8.3739   1.5740  9.6658   2.2117  7.0481   2.2406  33.896  4.2561 28.384  5.2279 5.511545       6.741330 
1 1 1 22 12 15 o 16.389  5.0200 2.3194   1.4112  0.3120   1.9919  4.3423   1.9996  12.920  5.5280 21.938  5.7459 -9.017840      7.973358 
1 1 1 22 12 16 o 26.242  3.6147 5.7314   1.4476  6.7440   2.0573  4.7384   2.0373  27.890  4.8833 22.917  5.6956 4.972425       7.502395 
1 1 1 22 12 17 o 38.768  2.6011 12.113   1.5717  13.889   2.2454  10.407   2.2006  41.071  3.5214 35.233  4.0584 5.838348       5.373186 
1 1 1 22 12 18 o 19.182  4.8066 3.2388   1.4425  3.2601   2.0118  3.2162   2.0694  19.039  6.0197 18.937  6.1178 0.1019478      8.582782 
1 1 1 22 12 19 o 12.616  4.8334 1.0422   1.3376  2.6002   1.8362  -0.7195  1.9526  17.286  5.7726 11.271  5.1110 6.015236       7.710021 
1 1 1 22 12 20 o 43.646  2.2840 15.269   1.5573  15.051   2.0972  15.537   2.3251  42.915  3.1391 43.428  3.4435 -0.5125237     4.659595 
1 1 1 22 12 21 o 32.491  2.8963 8.6088   1.4598  8.5088   1.9481  8.7368   2.2044  31.758  4.0019 31.876  4.5397 -0.1178913     6.051766 
1 1 1 22 12 22 o 31.848  2.9435 8.2926   1.4530  8.0806   1.9530  8.5554   2.1744  30.831  4.1458 31.507  4.5327 -0.6760368     6.142732 
1 1 1 22 12 23 o 13.928  5.0890 1.4968   1.4473  1.6832   1.8747  1.2219   2.2770  15.043  5.7318 14.859  6.1008 0.1841965      8.370954 
1 1 1 22 12 24 o 36.597  2.9771 10.965   1.6932  13.350   2.2029  7.5228   2.6469  40.060  3.5444 28.365  6.1313 11.69501       7.082047 
1 1 1 22 12 25 o 25.936  4.1125 5.7782   1.6163  5.1225   2.0662  6.8123   2.5948  23.516  5.6705 26.772  6.2893 -3.255968      8.468170 
1 1 1 22 12 26 o 19.310  5.3666 3.4285   1.6830  5.6008   2.0442  -1.1426  2.9653  24.722  5.4235 13.233  6.1107 11.48884       8.170382 
1 1 1 22 12 27 o 35.593  2.9935 10.422   1.6548  8.6599   2.1496  12.986   2.5926  31.530  4.4745 38.805  4.3359 -7.275286      6.230670 
1 1 1 22 12 28 f 42.782  2.4723 14.829   1.6511  13.329   2.2743  16.500   2.4007  39.770  3.6899 44.451  3.4728 -4.680378      5.067102 
1 1 1 22 12 29 o 19.210  4.8535 3.3574   1.4622  4.2428   2.0513  2.4429   2.0848  21.019  5.9543 16.663  6.1048 4.356140       8.527754 
1 1 1 22 12 30 o 28.124  3.8215 6.7719   1.6412  7.9754   2.2208  5.3235   2.4363  29.781  4.9292 23.142  6.4658 6.638851       8.130443 
1 1 1 22 12 31 o 8.6202  4.0505 -1.1698  1.3964  -1.9186  1.8028  -0.0468  2.2077  9.2537  4.4215 12.517  5.5739 -3.263365      7.114593 
1 1 1 22 12 32 o 20.366  4.8420 3.8008   1.5233  4.7939   1.8915  1.9680   2.5695  22.557  5.4170 16.078  6.5269 6.478989       8.482012 
1 1 1 22 12 33 o 41.518  2.8814 14.219   1.8638  14.258   2.3195  14.148   3.1310  40.971  3.6495 39.326  5.2068 1.645638       6.358444 
1 1 1 22 12 34 o 10.896  4.7248 0.1749   1.4930  0.2969   1.8923  -0.0264  2.4300  12.160  5.2960 12.942  5.7991 -0.7815762     7.853482 
1 1 1 22 12 35 o 12.023  4.9847 0.7195   1.5400  -0.1515  1.9054  2.3604   2.6154  11.518  5.1500 16.612  6.6402 -5.093851      8.403296 
1 1 1 22 12 36 f 15.385  5.2428 2.1563   1.5149  2.1790   1.9469  2.1215   2.4118  15.689  5.8714 15.978  6.3802 -0.2895479     8.670677 
1 1 1 22 12 37 o 33.929  3.0651 9.6239   1.6127  9.3715   2.0251  10.061   2.6664  32.763  4.0276 32.735  5.3831 0.2782440E-01  6.723042 
1 1 1 22 12 38 o 27.205  4.0649 6.5131   1.6804  7.0815   2.0305  5.2777   2.9936  27.789  4.8367 21.757  7.3702 6.031935       8.815532 
1 1 1 22 12 39 o 15.348  5.1614 2.1751   1.4681  2.5361   1.9973  1.7509   2.1652  16.395  5.9801 14.947  6.0180 1.448475       8.483979 
1 1 1 22 12 40 o 10.225  4.5520 -0.1268  1.4714  -0.5648  2.0565  0.3326   2.1062  11.270  5.1618 12.539  5.5205 -1.268484      7.557823 
1 1 1 22 12 41 o 12.175  4.9769 0.8995   1.5070  0.4461   2.0964  1.3843   2.1679  12.635  5.5365 14.210  5.9047 -1.575141      8.094360 
1 1 1 22 12 42 f 10.616  4.7253 -0.0562  1.5849  1.6760   2.4003  -1.3953  2.1105  14.907  6.2052 10.455  4.9334 4.451306       7.927376 
1 1 1 22 12 43 f 30.467  3.7694 8.1397   1.7619  6.6901   2.6040  9.3637   2.3928  24.928  6.5705 31.508  5.0121 -6.580870      8.263957 
1 1 1 22 12 44 o 11.403  4.9065 0.4773   1.5851  1.7760   2.4340  -0.4791  2.0887  14.898  6.2291 11.263  5.1746 3.634954       8.098080 
1 1 1 22 12 45 o 24.419  4.6731 5.6262   1.7237  5.6156   2.5935  5.6345   2.3069  22.105  6.8112 22.826  6.2594 -0.7210102     9.250551 
1 1 1 22 12 46 f 24.303  4.4308 5.5234   1.6259  4.9818   2.2372  6.1296   2.3669  21.194  6.2836 23.662  6.2776 -2.467361      8.882066 
1 1 1 22 12 47 o 38.481  2.9570 12.619   1.7702  14.109   2.5005  11.123   2.5063  39.277  4.1225 33.974  4.8428 5.302776       6.359869 
1 1 1 22 13 0  o 65.579  2.8071 34.263   2.8738  34.263   2.8738  34.263   2.8738  65.579  2.8071 65.579  2.8071 0.000000       0.000000 
1 1 1 22 13 1  o 33.009  3.2600 8.9523   1.6649  11.744   2.2910  5.8279   2.4237  37.460  3.9614 25.094  6.1977 12.36644       7.355564 
1 1 1 22 13 2  o 15.365  5.4108 1.9225   1.6191  -0.8882  2.5934  3.7177   2.0726  12.851  5.8516 20.160  6.0642 -7.308723      8.427129 
1 1 1 22 13 3  o 13.076  5.0548 1.1038   1.4724  5.0806   2.1697  -2.2907  2.0046  23.554  5.8910 9.7550  4.6613 13.79939       7.512143 
1 1 1 22 13 4  o 10.782  4.6611 0.0463   1.4440  -0.9513  2.0438  1.0407   2.0405  11.261  5.1532 14.192  5.7951 -2.931425      7.754932 
1 1 1 22 13 5  o 27.008  3.9235 6.1505   1.6126  7.2391   2.2216  4.9383   2.3444  28.683  5.1290 23.004  6.3108 5.679302       8.132232 
1 1 1 22 13 6  o 42.662  2.4961 14.650   1.6621  14.320   2.3608  14.975   2.3405  41.559  3.6610 42.582  3.5382 -1.022594      5.091341 
1 1 1 22 13 7  o 24.288  4.0568 5.0213   1.4902  5.0447   2.1034  4.9977   2.1114  23.502  5.7552 23.372  5.7921 0.1297836      8.165231 
1 1 1 22 13 8  o 31.382  3.1677 8.0904   1.5370  6.9929   2.1431  9.2531   2.2057  28.205  5.0314 32.932  4.3811 -4.726555      6.671509 
1 1 1 22 13 9  o 25.153  4.1853 5.4102   1.5923  6.4589   2.4856  4.6802   2.0738  26.403  6.1239 22.565  5.8232 3.838581       8.450612 
1 1 1 22 13 10 o 37.156  2.7308 11.197   1.5795  12.091   2.2266  10.291   2.2409  38.051  3.7828 34.843  4.1863 3.208050       5.642272 
1 1 1 22 13 11 o 28.198  3.4732 6.6182   1.5029  6.5507   2.1081  6.6879   2.1431  27.169  5.1378 27.438  5.1722 -0.2687702     7.290338 
1 1 1 22 13 12 o 14.538  5.0989 1.7235   1.4369  -0.1232  2.0009  3.6898   2.0647  12.152  5.3639 19.958  6.0638 -7.806046      8.095751 
1 1 1 22 13 13 o 35.343  2.8940 10.194   1.5894  12.631   2.3295  8.0710   2.1741  38.782  3.8838 30.454  4.7056 8.328163       6.101375 
1 1 1 22 13 14 o 11.963  4.9110 0.6384   1.4752  2.8087   1.9969  -1.9691  2.1888  17.725  6.0194 10.553  4.9930 7.172511       7.820696 
1 1 1 22 13 15 o 28.302  4.1688 6.8604   1.7942  8.0600   2.3565  5.2059   2.7675  30.068  5.1867 22.987  7.0281 7.080248       8.734774 
1 1 1 22 13 16 o 25.274  4.3677 5.5454   1.6679  6.0822   2.2894  4.9383   2.4349  25.588  5.8365 22.624  6.5130 2.964239       8.745459 
1 1 1 22 13 17 o 15.103  5.5339 1.8448   1.7131  3.9423   2.4268  -0.2387  2.4187  20.276  6.6302 12.977  5.8023 7.299130       8.810569 
1 1 1 22 13 18 o 11.509  5.0478 -0.0096  1.7463  -0.9058  2.4268  0.9529   2.5149  12.207  5.5969 14.743  6.2572 -2.536715      8.395056 
1 1 1 22 13 19 o 53.106  2.4383 22.736   2.0300  20.588   2.8099  25.080   2.9359  49.592  3.6396 54.954  3.4249 -5.361095      4.997705 
1 1 1 22 13 20 o 11.442  4.9044 0.2744   1.5729  1.9444   2.1984  -1.4772  2.2514  15.829  6.1605 11.105  5.1942 4.723892       8.058029 
1 1 1 22 13 21 o 18.228  5.1165 3.0478   1.5219  2.5774   2.0143  3.6735   2.3230  16.952  6.0282 19.492  6.4923 -2.540495      8.859403 
1 1 1 22 13 22 o 39.328  2.6980 12.633   1.6534  13.538   2.1402  11.293   2.6038  40.234  3.4258 35.705  4.7711 4.528076       5.873630 
1 1 1 22 13 23 o 36.360  2.7681 10.840   1.5660  11.080   1.9820  10.441   2.5546  36.275  3.5300 34.154  4.9127 2.120987       6.049404 
1 1 1 22 13 24 o 15.620  5.0355 2.1965   1.4025  3.2353   1.8923  0.9302   2.0893  18.427  5.8394 13.698  5.7520 4.729464       8.196593 
1 1 1 22 13 25 o 58.478  1.9995 27.405   1.8330  30.764   2.5334  23.715   2.6553  61.469  2.6291 53.428  3.1847 8.041252       4.129675 
1 1 1 22 13 26 f 21.535  4.6126 4.1934   1.5103  8.4805   2.0323  -1.0947  2.2571  31.097  4.2823 11.372  5.2792 19.72556       6.797688 
1 1 1 22 13 27 o 29.501  3.1950 7.2989   1.4540  9.0672   1.9869  5.2602   2.1334  32.345  4.0041 23.257  5.8553 9.087694       7.093473 
1 1 1 22 13 28 o 21.571  4.2891 4.1531   1.3993  3.6205   1.9027  4.7804   2.0651  19.262  5.8141 22.093  5.8648 -2.830633      8.258302 
1 1 1 22 13 29 o 25.212  3.8003 5.5104   1.4554  5.8252   1.9605  5.1239   2.1722  24.970  5.1781 22.736  6.0051 2.234791       7.929297 
1 1 1 22 13 30 o 13.162  5.0136 1.3421   1.4341  0.7064   1.9873  2.0329   2.0715  12.953  5.5313 15.472  5.9918 -2.519681      8.154570 
1 1 1 22 13 31 o 17.974  5.0396 3.0480   1.4773  3.9391   1.9072  1.7110   2.3360  19.984  5.7674 15.140  6.1935 4.843964       8.462991 
1 1 1 22 13 32 o 29.264  3.4881 7.3208   1.5687  6.6791   2.2118  7.9703   2.2252  26.377  5.5258 29.340  5.0181 -2.963398      7.464360 
1 1 1 22 13 33 o 27.388  3.6341 6.4741   1.5217  7.8655   2.0271  4.6778   2.3033  29.530  4.5230 21.221  6.3950 8.308378       7.832860 
1 1 1 22 13 34 f 31.955  3.1044 8.5886   1.5355  9.2973   2.0691  7.7199   2.2909  32.417  4.1680 28.529  5.3179 3.887808       6.756690 
1 1 1 22 13 35 o 20.040  4.7108 3.7417   1.4550  3.3346   1.9320  4.2752   2.2115  18.229  5.9136 20.275  6.2966 -2.046446      8.638144 
1 1 1 22 13 36 o 17.796  5.0114 3.0266   1.4575  3.2022   1.9075  2.7803   2.2595  17.864  5.8799 16.849  6.3213 1.014580       8.633187 
1 1 1 22 13 37 o 36.965  2.9845 11.463   1.7147  10.354   2.1466  13.417   2.8505  34.175  4.0878 38.043  4.8930 -3.868637      6.375856 
1 1 1 22 13 38 o 11.149  4.7144 0.5260   1.4192  0.6888   1.9320  0.3352   2.0918  12.575  5.4138 12.375  5.4724 0.2000303      7.697842 
1 1 1 22 13 39 o 26.922  4.0344 6.4846   1.6503  8.2423   2.4227  4.9630   2.2541  28.933  5.5432 21.540  6.2856 7.393673       8.380672 
1 1 1 22 13 40 o 17.414  5.2151 3.0079   1.5353  1.7415   2.1402  4.3508   2.2038  14.512  5.9314 20.014  6.2971 -5.502227      8.650720 
1 1 1 22 13 41 o 15.153  5.3259 2.2390   1.5681  3.2186   2.1784  1.1857   2.2589  17.308  6.2557 13.662  5.8674 3.645200       8.576726 
1 1 1 22 13 42 f 13.721  5.2505 1.6949   1.5773  0.3256   2.2223  3.0850   2.2392  12.337  5.5357 16.862  6.2994 -4.525575      8.386028 
1 1 1 22 13 43 o 11.173  4.8160 0.5269   1.5326  1.9326   2.1783  -0.8512  2.1568  14.539  5.9680 10.798  5.0612 3.740539       7.825124 
1 1 1 22 13 44 f 12.487  5.2712 1.0734   1.7695  0.8120   2.5132  1.3304   2.4918  13.145  5.8933 13.765  6.0338 -0.6205187     8.434320 
1 1 1 22 14 0  o 18.421  7.4822 3.9614   2.1185  3.9614   2.1185  3.9614   2.1185  18.421  7.4822 18.421  7.4822 0.000000       0.000000 
1 1 1 22 14 1  o 11.942  4.9046 0.6709   1.4722  1.6149   2.0651  -0.3047  2.0993  15.040  5.9359 12.041  5.3931 2.999223       8.019980 
1 1 1 22 14 2  o 47.677  2.7553 18.524   2.0506  15.554   2.8103  21.906   2.9987  42.555  4.2702 51.027  3.7755 -8.471489      5.699913 
1 1 1 22 14 3  o 16.053  5.3962 2.2800   1.6047  2.4697   2.1184  2.0247   2.4580  16.842  6.1564 16.318  6.4646 0.5240479      8.927042 
1 1 1 22 14 4  o 17.175  5.5100 2.6876   1.6808  1.3005   2.0524  5.5131   2.9292  14.414  5.8396 23.217  7.2526 -8.803162      9.311292 
1 1 1 22 14 5  o 14.406  5.7325 1.4028   1.9407  -0.8553  2.3262  6.5736   3.5201  11.959  5.4820 24.716  7.9784 -12.75709      9.680252 
1 1 1 22 14 6  o 33.653  4.4009 9.8381   2.2661  10.821   2.8964  8.2865   3.6388  34.373  5.5653 27.806  7.9491 6.567593       9.703642 
1 1 1 22 14 7  o 8.6938  4.2537 -3.1822  1.9375  -2.1113  2.4412  -5.0047  3.1847  11.027  5.2335 10.923  5.3666 0.1043625      7.495961 
1 1 1 22 14 8  o 53.936  3.1032 23.975   2.6128  20.906   4.0044  26.251   3.4479  48.052  5.4099 55.583  3.9833 -7.530342      6.718156 
1 1 1 22 14 9  o 34.466  3.7892 10.083   2.0135  11.383   3.0253  9.0495   2.6979  35.080  5.6967 31.187  5.7292 3.892431       8.079345 
1 1 1 22 14 10 o 33.273  3.4754 9.2978   1.7861  12.307   2.5691  6.4828   2.4847  37.573  4.4481 25.890  6.2033 11.68242       7.633235 
1 1 1 22 14 11 f 13.382  5.1265 1.3113   1.5047  1.2718   2.2448  1.3435   2.0277  14.604  6.0334 14.363  5.8094 0.2409039      8.375646 
1 1 1 22 14 12 o 14.289  5.1091 1.7063   1.4488  3.5169   2.0545  -0.0847  2.0434  19.121  6.0873 12.099  5.3765 7.021720       8.121679 
1 1 1 22 14 13 o 10.978  4.6682 0.3242   1.4047  -1.0215  1.9708  1.7140   2.0028  10.719  4.9610 14.995  5.8679 -4.275928      7.683966 
1 1 1 22 14 14 o 18.837  4.9030 3.2582   1.4619  2.3076   2.0307  4.2808   2.1062  16.236  6.0121 20.943  6.0658 -4.706249      8.540461 
1 1 1 22 14 15 o 25.096  3.9273 5.4529   1.4944  4.3054   2.0721  6.6967   2.1573  21.012  5.9957 26.895  5.3053 -5.882254      8.005889 
1 1 1 22 14 16 o 20.215  4.7180 3.7225   1.4679  5.9694   2.1394  1.7238   2.0177  25.118  5.5784 14.963  5.8795 10.15508       8.104723 
1 1 1 22 14 17 f 8.0679  3.8783 -1.7794  1.4341  -3.6357  1.9984  0.1919   2.0593  8.5070  4.1936 12.437  5.4676 -3.929772      6.890618 
1 1 1 22 14 18 o 38.218  2.7563 12.012   1.6403  12.808   2.3495  11.255   2.2910  38.556  3.9426 35.964  4.1391 2.592667       5.716253 
1 1 1 22 14 19 o 15.216  5.1661 2.0835   1.4708  1.2425   2.1393  2.8375   2.0256  14.187  5.8780 17.276  6.0542 -3.088424      8.438234 
1 1 1 22 14 20 o 26.483  3.7734 6.0587   1.5223  5.5910   2.1939  6.4929   2.1140  23.899  5.8928 26.315  5.3076 -2.415792      7.930652 
1 1 1 22 14 21 f 14.141  5.1493 1.6983   1.4800  2.8279   2.1694  0.7150   2.0241  17.213  6.2395 13.062  5.5802 4.151141       8.370805 
1 1 1 22 14 22 o 16.014  5.1468 2.3850   1.4661  5.6743   2.0731  -0.9059  2.0736  24.286  5.5645 11.002  5.0909 13.28337       7.541919 
1 1 1 22 14 23 o 32.213  3.1797 8.7280   1.5848  7.3440   2.2093  10.195   2.2746  27.995  5.2263 33.853  4.3893 -5.858454      6.824950 
1 1 1 22 14 24 o 31.842  3.1675 8.5335   1.5602  9.6521   2.2189  7.4397   2.1941  32.879  4.4165 28.215  5.1504 4.664171       6.784687 
1 1 1 22 14 25 o 26.344  3.9198 6.0816   1.5695  7.4503   2.2538  4.7928   2.1870  28.052  5.3197 21.689  6.1494 6.362505       8.131104 
1 1 1 22 14 26 o 17.175  5.2357 2.8246   1.5374  3.4067   2.1703  2.2382   2.1782  18.315  6.2751 15.838  6.1410 2.477444       8.780010 
1 1 1 22 14 27 o 27.853  3.6742 6.7220   1.5652  3.9674   2.1269  9.9759   2.3116  19.646  6.1870 33.212  4.5602 -13.56653      7.686016 
1 1 1 22 14 28 o 30.368  3.3588 7.8656   1.5722  7.1452   2.1944  8.6254   2.2537  27.378  5.3044 30.552  4.8690 -3.173506      7.200320 
1 1 1 22 14 29 o 30.222  3.3844 7.8084   1.5760  7.6952   2.2338  7.9207   2.2237  28.511  5.1889 29.047  5.0677 -0.5359707     7.253017 
1 1 1 22 14 30 o 12.449  5.1740 0.8864   1.6651  0.8635   2.2907  0.9120   2.4245  13.559  5.8659 13.843  6.0118 -0.2843132     8.399467 
1 1 1 22 14 31 o 24.760  4.3809 5.5759   1.6382  4.8413   2.3510  6.2693   2.2841  21.261  6.4729 24.887  5.9375 -3.626074      8.783634 
1 1 1 22 14 32 o 10.313  4.5951 -0.0830  1.5028  -0.3693  2.1092  0.2122   2.1418  11.518  5.2571 12.317  5.4870 -0.7989521     7.598977 
1 1 1 22 14 33 o 28.997  3.5716 7.3098   1.5893  10.264   2.3359  4.7640   2.1686  33.436  4.5766 21.257  6.1544 12.17873       7.669530 
1 1 1 22 14 34 o 13.059  5.1236 1.3523   1.5301  1.2277   2.1606  1.4777   2.1672  13.731  5.8119 14.145  5.8929 -0.4140425     8.276682 
1 1 1 22 14 35 o 9.8900  4.4456 -0.1850  1.4401  -0.9965  1.9186  0.8624   2.1796  10.230  4.7880 13.143  5.7041 -2.913471      7.447220 
1 1 1 22 14 36 o 16.727  5.5591 2.8548   1.7035  4.4687   2.2767  0.8021   2.5676  20.034  6.4112 13.577  6.0305 6.457063       8.801719 
1 1 1 22 14 37 o 23.761  4.4705 5.2972   1.6041  6.2896   2.3184  4.3859   2.2218  24.210  6.1088 19.797  6.3332 4.413126       8.799241 
1 1 1 22 14 38 o 21.978  4.8004 4.6966   1.6077  7.1147   2.2702  2.2641   2.2770  26.212  5.6881 15.216  6.1556 10.99573       8.381245 
1 1 1 22 14 39 o 14.127  5.3867 1.9140   1.6565  6.4627   2.5400  -1.4524  2.1852  23.555  6.6093 10.262  4.8935 13.29309       8.223704 
1 1 1 22 14 40 o 11.519  4.9142 0.7432   1.5657  0.2558   2.1942  1.2490   2.2349  11.953  5.4193 13.320  5.7783 -1.366632      7.921957 
1 1 1 22 15 0  o 7.6563  5.2683 -1.2291  2.0777  -1.2291  2.0777  -1.2291  2.0777  7.6563  5.2683 7.6563  5.2683 0.000000       0.000000 
1 1 1 22 15 1  o 17.415  5.4599 2.8851   1.6584  2.3652   2.2359  3.5210   2.4727  16.313  6.2491 18.707  6.6760 -2.394220      9.144421 
1 1 1 22 15 2  o 37.018  3.3046 11.532   1.8976  7.8942   2.6138  15.586   2.7592  28.380  6.0593 42.193  4.2284 -13.81370      7.388808 
1 1 1 22 15 3  o 16.483  5.7489 2.5397   1.8254  1.9670   2.3568  3.3983   2.8858  15.679  6.2907 18.485  7.0953 -2.806304      9.482359 
1 1 1 22 15 4  o 9.6996  4.5455 -1.2124  1.7385  0.0569   2.2703  -3.0121  2.7033  12.651  5.6416 10.804  5.2257 1.847507       7.689984 
1 1 1 22 15 5  o 19.253  5.6020 3.5953   1.7928  4.0079   2.3732  3.0469   2.7361  19.766  6.5611 17.812  6.8894 1.953426       9.513784 
1 1 1 22 15 6  o 10.885  4.8974 -0.2895  1.7522  -0.7149  2.4129  0.1850   2.5487  12.063  5.5493 13.367  5.9679 -1.303983      8.149235 
1 1 1 22 15 7  o 16.156  5.8624 2.4025   1.9158  1.2833   2.9324  3.2360   2.5306  15.332  6.6349 18.079  6.7079 -2.747011      9.434981 
1 1 1 22 15 8  o 11.380  5.0712 -0.0847  1.8311  -0.7983  2.8816  0.3986   2.3715  12.959  5.9980 13.270  5.8494 -0.3109484     8.378030 
1 1 1 22 15 9  f 24.840  5.2799 5.8292   1.9927  9.5234   3.1490  3.3621   2.5735  30.348  6.7889 18.286  6.7686 12.06173       9.586610 
1 1 1 22 15 10 o 41.329  3.2923 14.391   2.1154  12.939   3.2667  15.440   2.7761  36.572  5.8984 41.830  4.2944 -5.257339      7.296112 
1 1 1 22 15 11 o 10.215  4.6910 -0.6854  1.7138  -1.9843  2.8733  0.0320   2.1352  11.891  5.6537 12.258  5.4684 -0.3665628     7.865561 
1 1 1 22 15 12 o 33.151  3.6213 9.4328   1.8514  5.9673   3.0721  11.409   2.3200  22.989  7.4568 35.980  4.1917 -12.99081      8.554226 
1 1 1 22 15 13 o 40.787  3.0789 13.920   1.9542  13.561   3.3437  14.106   2.4082  37.347  5.9076 40.356  3.8534 -3.009018      7.053252 
1 1 1 22 15 14 o 36.234  3.4441 11.181   1.9328  12.526   3.3137  10.487   2.3795  35.535  6.1726 34.104  4.5652 1.430130       7.677325 
1 1 1 22 15 15 o 7.8597  3.8613 -2.8328  1.6473  -3.4673  2.7184  -2.4646  2.0709  10.449  5.0963 9.4733  4.5802 0.9752750      6.852023 
1 1 1 22 15 16 f 22.045  5.2390 4.6571   1.7838  -0.6333  2.8314  8.1391   2.2970  12.892  5.9593 29.428  5.1677 -16.53580      7.887890 
1 1 1 22 15 17 o 33.585  3.5257 9.6765   1.8286  11.023   3.2082  9.0286   2.2255  32.844  6.4610 31.480  4.6495 1.364519       7.960063 
1 1 1 22 15 18 o 38.257  3.0540 12.282   1.8164  11.413   2.7007  13.000   2.4544  34.967  5.0750 38.337  4.1501 -3.369030      6.555883 
1 1 1 22 15 19 o 20.451  4.9447 3.9652   1.5679  3.1456   2.3197  4.6545   2.1273  17.597  6.4407 21.283  6.0758 -3.686005      8.854237 
1 1 1 22 15 20 o 16.810  5.3885 2.7449   1.6078  4.4395   2.3935  1.3516   2.1703  20.336  6.5805 14.128  5.8924 6.208178       8.833053 
1 1 1 22 15 21 o 12.925  5.1388 1.2207   1.5584  -1.6550  2.2926  3.6907   2.1248  10.691  5.0734 18.845  6.2059 -8.153944      8.015777 
1 1 1 22 15 22 o 12.307  5.0762 0.9081   1.5855  2.1417   2.3734  -0.0860  2.1306  15.637  6.2991 11.941  5.3835 3.696908       8.286197 
1 1 1 22 15 23 o 10.355  4.6191 -0.1010  1.5233  1.6612   2.2338  -1.6328  2.0826  14.660  6.0336 10.141  4.8193 4.518623       7.722045 
1 1 1 22 15 24 o 10.279  4.5796 -0.0843  1.4925  -1.5207  2.0737  1.4594   2.1498  10.209  4.8390 14.194  5.8875 -3.984512      7.620911 
1 1 1 22 15 25 o 15.058  5.1728 2.1401   1.4752  2.9885   1.9715  1.0610   2.2236  17.148  5.9749 13.635  5.8376 3.512886       8.353265 
1 1 1 22 15 26 o 19.141  4.9619 3.5360   1.5013  1.5611   1.9692  6.2765   2.3198  14.088  5.7156 24.635  6.0507 -10.54705      8.323410 
1 1 1 22 15 27 o 13.724  5.1974 1.6335   1.5355  0.3048   1.9278  3.9389   2.5394  11.915  5.2620 18.805  6.7597 -6.889655      8.566296 
1 1 1 22 15 28 o 37.447  2.8281 11.755   1.6480  13.926   2.2203  9.0910   2.4591  40.021  3.5766 30.554  5.3277 9.466864       6.416878 
1 1 1 22 15 29 o 13.313  5.1191 1.5041   1.5038  0.9256   1.9501  2.3527   2.3620  12.839  5.4809 15.694  6.2974 -2.855579      8.348466 
1 1 1 22 15 30 o 10.842  4.7151 0.3241   1.4957  -0.5504  2.0795  1.2613   2.1528  11.071  5.1141 13.624  5.7861 -2.552854      7.722224 
1 1 1 22 15 31 o 19.014  4.9556 3.5641   1.4922  4.4780   1.9585  2.2998   2.3037  20.567  5.8152 15.417  6.2075 5.149999       8.505889 
1 1 1 22 15 32 o 15.296  5.3434 2.3431   1.5772  4.3585   1.9975  -0.9938  2.5703  20.065  5.9348 11.577  5.4569 8.488674       8.062222 
1 1 1 22 15 33 o 27.054  3.9950 6.6763   1.6434  9.2360   2.3663  4.2914   2.2840  30.615  5.1104 19.237  6.4381 11.37824       8.219829 
1 1 1 22 15 34 o 14.400  5.3170 2.0514   1.5861  3.6278   2.2634  0.5304   2.2232  17.659  6.3774 12.412  5.5553 5.247772       8.457701 
1 1 1 22 15 35 o 30.980  3.6018 8.5930   1.7166  9.3918   2.4848  7.8637   2.3743  30.185  5.4515 27.179  5.7517 3.006001       7.924743 
1 1 1 22 15 36 o 21.410  5.4242 4.8776   1.8227  5.7255   2.6369  4.1018   2.5222  21.081  6.9121 17.976  6.6915 3.105000       9.620482 
1 1 1 22 16 0  o 12.855  7.2960 2.1180   2.2790  2.1180   2.2790  2.1180   2.2790  12.855  7.2960 12.855  7.2960 0.000000       0.000000 
1 1 1 22 16 1  o 16.085  5.5677 2.5040   1.7105  5.4993   2.6579  0.3861   2.2349  22.224  6.9030 12.760  5.6487 9.464711       8.919576 
1 1 1 22 16 2  o 13.904  5.2690 1.6480   1.5788  0.3223   2.1821  3.1044   2.2871  12.569  5.5722 17.414  6.3921 -4.844268      8.479873 
1 1 1 22 16 3  o 12.935  5.1612 1.2223   1.5772  2.7182   2.2893  -0.1293  2.1761  16.635  6.3350 11.978  5.4169 4.656833       8.335203 
1 1 1 22 16 4  o 21.496  5.1130 4.4476   1.6979  4.4097   2.5159  4.4793   2.3009  20.031  6.7568 20.456  6.4340 -0.4243164     9.330087 
1 1 1 22 16 5  o 16.474  5.4068 2.6459   1.6133  4.0630   2.3211  1.3212   2.2441  19.458  6.4900 14.118  5.9465 5.340463       8.802314 
1 1 1 22 16 6  o 10.665  4.7391 -0.0169  1.5875  -2.1665  2.1797  2.4112   2.3166  9.9355  4.7774 16.041  6.3009 -6.105783      7.907268 
1 1 1 22 16 7  o 12.531  5.0861 1.0537   1.5600  0.3678   2.2077  1.7377   2.2045  12.660  5.6089 14.742  6.0220 -2.081918      8.229498 
1 1 1 22 16 8  o 15.382  5.3573 2.2461   1.5849  1.3552   2.2549  3.1160   2.2282  14.164  5.9632 17.403  6.3212 -3.238682      8.690042 
1 1 1 22 16 9  o 25.368  4.3144 5.8426   1.6544  2.2155   2.3257  9.5576   2.3538  15.667  6.2620 32.040  4.8367 -16.37348      7.912431 
1 1 1 22 16 10 o 20.804  4.9814 4.1499   1.6031  5.4696   2.2518  2.7938   2.2828  22.887  6.1462 16.717  6.3356 6.170042       8.826996 
1 1 1 22 16 11 o 26.060  4.1041 6.0906   1.6212  5.0708   2.2737  7.1451   2.3121  21.840  6.2956 26.808  5.6783 -4.968222      8.478072 
1 1 1 22 16 12 f 28.590  3.7448 7.1718   1.6380  9.1175   2.2953  5.1526   2.3383  31.240  4.8436 21.888  6.4061 9.351847       8.031137 
1 1 1 22 16 13 o 20.563  4.9447 4.0579   1.5744  4.9689   2.2922  3.2443   2.1662  21.511  6.3561 17.627  6.2531 3.884054       8.916386 
1 1 1 22 16 14 o 14.627  5.4467 1.9540   1.6713  2.9733   2.2416  0.6780   2.5081  17.014  6.3132 13.520  5.9848 3.493405       8.699081 
1 1 1 22 16 15 o 11.557  5.0100 0.4263   1.6779  1.3075   2.3379  -0.5097  2.4095  14.117  6.0133 11.963  5.5187 2.153915       8.161884 
1 1 1 22 16 16 o 25.102  4.4393 5.7999   1.6830  4.9516   2.2159  6.9564   2.5873  21.549  6.2160 25.445  6.4714 -3.895332      8.973164 
1 1 1 22 16 17 f 34.097  3.3941 10.019   1.7901  9.5879   2.3359  10.633   2.7865  31.987  4.8069 32.770  5.6269 -0.7826633     7.400547 
1 1 1 22 16 18 o 21.115  5.0773 4.3460   1.6600  4.7139   2.1571  3.8118   2.5996  21.006  6.1544 18.445  6.8078 2.560987       9.177258 
1 1 1 22 16 19 o 29.010  3.8221 7.4608   1.6959  8.5706   2.2410  5.9736   2.5943  30.044  4.9291 23.018  6.7507 7.026257       8.358744 
1 1 1 22 16 20 o 30.871  3.4190 8.2625   1.6268  6.6795   2.2083  10.141   2.4057  25.719  5.6331 32.791  4.8242 -7.071953      7.416507 
1 1 1 22 16 21 o 25.799  4.0830 6.0319   1.5964  6.1541   2.2467  5.9073   2.2686  24.253  5.9533 23.579  6.0935 0.6742916      8.518976 
1 1 1 22 16 22 o 12.442  5.0038 1.1478   1.4950  2.3390   2.0411  -0.2311  2.1960  15.443  5.9568 11.679  5.3435 3.764605       8.002245 
1 1 1 22 16 23 f 12.232  4.9441 1.0845   1.4675  1.7388   1.9711  0.2707   2.1983  14.184  5.7310 12.253  5.5013 1.931461       7.944121 
1 1 1 22 16 24 o 35.633  2.9735 10.798   1.6459  11.973   2.1986  9.3007   2.4823  36.545  3.8978 30.554  5.3788 5.991020       6.642638 
1 1 1 22 16 25 o 13.837  5.2161 1.7772   1.5420  2.3137   1.9541  0.8918   2.5105  15.206  5.8381 13.426  5.9632 1.780037       8.345263 
1 1 1 22 16 26 o 13.917  5.2562 1.8242   1.5677  1.6733   1.9876  2.0726   2.5503  13.919  5.7057 14.989  6.3278 -1.070177      8.520315 
1 1 1 22 16 27 o 6.1586  3.1152 -4.4379  1.4745  -4.4173  1.7562  -4.4872  2.7146  7.0617  3.5501 9.4700  4.7070 -2.408314      5.895646 
1 1 1 22 16 28 o 10.977  4.7223 0.5451   1.4679  0.3105   1.8217  0.9794   2.4785  11.352  5.0585 13.281  5.9106 -1.929611      7.779679 
1 1 1 22 16 29 o 11.366  4.8735 0.6883   1.5539  2.9406   1.9233  -3.5461  2.6371  16.267  5.8781 9.7195  4.7962 6.547061       7.586558 
1 1 1 22 16 30 o 10.597  4.7978 0.0150   1.7128  2.3644   2.1607  -3.9578  2.8097  14.915  6.0094 9.7998  4.8567 5.115088       7.726623 
1 1 1 22 16 31 o 13.582  5.5151 1.7667   1.8352  0.4667   2.1278  5.5422   3.6262  11.907  5.3731 18.703  7.6913 -6.796118      9.382261 
1 1 1 22 17 0  o 16.244  7.7925 3.5415   2.2883  3.5415   2.2883  3.5415   2.2883  16.244  7.7925 16.244  7.7925 0.000000       0.000000 
1 1 1 22 17 1  o 23.636  4.6840 5.2972   1.6743  4.0764   2.3793  6.4947   2.3564  18.986  6.5668 24.726  6.1135 -5.739868      8.972088 
1 1 1 22 17 2  o 20.699  4.9979 4.1940   1.6034  2.4028   2.2626  6.0009   2.2725  15.664  6.2033 23.759  6.0770 -8.095048      8.683926 
1 1 1 22 17 3  o 10.216  4.6566 -0.3503  1.6476  -2.5843  2.2061  2.4674   2.4776  9.5513  4.6435 15.858  6.4190 -6.306451      7.922469 
1 1 1 22 17 4  o 30.351  3.7342 8.1579   1.7393  9.0133   2.4795  7.3292   2.4404  30.117  5.4523 26.439  6.0225 3.678585       8.123958 
1 1 1 22 17 5  o 10.322  4.6873 -0.2713  1.6495  -0.8260  2.4707  0.1748   2.2156  11.626  5.4389 12.199  5.4959 -0.5730619     7.732162 
1 1 1 22 17 6  o 24.993  4.4341 5.8165   1.6737  6.4863   2.3786  5.1597   2.3555  24.588  6.1783 21.450  6.4677 3.138163       8.944428 
1 1 1 22 17 7  o 23.281  4.7465 5.1809   1.6736  4.1814   2.3100  6.2849   2.4279  19.243  6.4745 23.939  6.3611 -4.696447      9.076438 
1 1 1 22 17 8  o 28.196  3.9867 7.1740   1.7131  7.8371   2.4179  6.5056   2.4274  27.624  5.7695 24.447  6.2957 3.176617       8.539509 
1 1 1 22 17 9  o 18.522  5.3654 3.5039   1.6478  3.5436   2.3231  3.4637   2.3378  17.804  6.4562 17.630  6.4638 0.1745605      9.135838 
1 1 1 22 17 10 o 12.087  4.9899 0.9680   1.5338  1.2990   2.2070  0.6589   2.1332  13.674  5.8340 12.630  5.5584 1.044153       8.057992 
1 1 1 22 17 11 o 9.9502  4.5366 -0.3418  1.5651  -1.3511  2.2291  0.6396   2.1980  10.558  5.0079 12.697  5.6124 -2.139439      7.521856 
1 1 1 22 17 12 f 35.212  2.9843 10.557   1.6319  12.518   2.2287  8.2905   2.3960  37.407  3.8559 28.605  5.5431 8.801430       6.752381 
1 1 1 22 17 13 o 17.585  5.1793 3.1372   1.5242  3.4885   2.0369  2.6901   2.2977  17.821  6.0792 16.014  6.2800 1.806625       8.740422 
1 1 1 22 17 14 o 13.124  5.1153 1.4873   1.5174  1.4169   2.0323  1.5760   2.2810  13.563  5.6830 14.085  5.9674 -0.5224600     8.240508 
1 1 1 22 17 15 o 27.108  3.7682 6.5993   1.5580  4.2064   2.0442  9.9165   2.4068  19.485  6.0540 31.923  4.9711 -12.43798      7.833410 
1 1 1 22 17 16 o 25.980  4.0152 6.1785   1.5826  8.5378   2.1121  3.1581   2.3898  29.908  4.6563 16.743  6.4490 13.16559       7.954302 
1 1 1 22 17 17 o 11.667  4.8722 0.8619   1.4865  0.7118   2.0341  1.0339   2.1778  12.377  5.4377 13.052  5.6831 -0.6752081     7.865505 
1 1 1 22 17 18 o 13.085  5.0689 1.5305   1.4830  0.5940   1.9426  2.8387   2.2960  12.016  5.2956 16.054  6.2825 -4.037091      8.216661 
1 1 1 22 17 19 o 10.235  4.5573 0.1018   1.4755  -0.1905  1.9937  0.4558   2.1939  11.055  5.0702 12.219  5.4903 -1.164288      7.473372 
1 1 1 22 17 20 o 18.692  4.8994 3.5344   1.4531  5.9173   2.0119  0.9355   2.1010  23.707  5.5169 12.679  5.5495 11.02827       7.825180 
1 1 1 22 17 21 o 17.588  5.3128 3.2898   1.5883  2.5397   2.1302  4.2290   2.3836  15.308  6.0327 18.512  6.5602 -3.203975      8.912340 
1 1 1 22 17 22 o 10.862  4.9073 0.1023   1.7808  -0.4615  2.3570  0.8523   2.7183  11.354  5.3118 13.217  6.0075 -1.862743      8.019052 
1 1 1 22 17 23 o 17.481  5.8366 3.5069   1.8771  1.8666   2.4022  6.0795   3.0084  14.113  6.0554 20.674  7.3653 -6.561284      9.534943 
1 1 1 22 17 24 o 16.396  5.9967 3.1678   2.0104  6.7008   2.7564  -0.8470  2.9384  22.458  7.0387 11.836  5.6524 10.62201       9.027321 
1 1 1 22 17 25 o 10.388  4.8843 -0.6446  2.0354  2.7714   2.6194  -5.8511  3.2337  15.263  6.4265 9.6091  4.8289 5.654078       8.038542 
1 1 1 22 18 0  o 8.6711  5.9469 -0.9960  2.5966  -0.9960  2.5966  -0.9960  2.5966  8.6711  5.9469 8.6711  5.9469 0.000000       0.000000 
1 1 1 22 18 1  o 11.889  5.0250 0.9335   1.6114  -1.0918  2.2454  3.0841   2.3138  10.588  5.0236 16.282  6.3248 -5.693916      8.077150 
1 1 1 22 18 2  o 19.266  5.3619 3.9489   1.6789  6.1486   2.3807  1.7729   2.3679  22.900  6.3893 14.101  6.0302 8.798718       8.785555 
1 1 1 22 18 3  o 11.993  5.0964 0.9423   1.6720  5.0417   2.2830  -3.8006  2.4557  20.523  6.4015 9.1583  4.5390 11.36498       7.847398 
1 1 1 22 18 4  o 13.684  5.3167 1.8096   1.6352  1.2994   2.2873  2.3430   2.3385  13.336  5.8149 14.949  6.1654 -1.613400      8.474974 
1 1 1 22 18 5  o 20.847  5.3192 4.5815   1.7441  3.0322   2.3271  6.5670   2.6343  16.133  6.3218 22.970  6.8204 -6.837353      9.299643 
1 1 1 22 18 6  f 16.231  5.3912 2.8357   1.6022  5.4952   2.2760  0.2230   2.2559  21.571  6.3222 11.907  5.4357 9.663814       8.337666 
1 1 1 22 18 7  o 11.092  4.8453 0.5190   1.5945  0.4467   2.2637  0.5902   2.2462  12.165  5.5110 12.313  5.5416 -0.1475630     7.815388 
1 1 1 22 18 8  o 18.117  5.3948 3.5522   1.6464  4.3031   2.3461  2.8234   2.3111  18.574  6.5152 15.684  6.2510 2.889937       9.029012 
1 1 1 22 18 9  f 22.609  4.8467 5.1460   1.6663  6.6556   2.3757  3.6844   2.3377  23.932  6.2605 17.260  6.4387 6.672091       8.980551 
1 1 1 22 18 10 o 9.0313  4.2813 -1.0544  1.6243  -0.1685  2.1881  -2.1417  2.4241  11.284  5.2241 10.047  4.8806 1.237040       7.149254 
1 1 1 22 18 11 o 18.603  5.7298 3.9283   1.8356  1.3919   2.3109  8.2649   3.0217  13.327  5.8269 24.909  7.2800 -11.58261      9.324791 
1 1 1 22 18 12 o 7.6104  3.7958 -3.6171  1.8300  -2.4744  2.3367  -5.4297  2.9430  9.5939  4.6893 9.2972  4.6631 0.2966795      6.613126 
1 1 1 22 18 13 o 13.029  5.6709 1.3322   2.1667  -0.2810  2.7280  4.0888   3.5661  11.948  5.6290 16.746  7.2819 -4.798050      9.203860 
1 1 1 22 18 14 o 15.002  6.0421 2.5796   2.1833  5.2858   2.7483  -2.0503  3.5947  19.378  7.0230 11.861  5.8013 7.517398       9.109165 
1 1 1 22 18 15 o 21.231  6.3753 5.6023   2.2921  3.5242   2.8569  9.3569   3.8402  16.191  6.7572 23.338  8.3207 -7.147263      10.71886 
1 1 1 22 18 16 o 10.387  4.9139 -0.7504  2.1188  -0.6945  2.6136  -0.8577  3.6187  11.302  5.3788 12.443  6.0255 -1.141637      8.076978 
1 1 1 22 18 17 o 11.974  5.4403 0.6231   2.2259  -0.2025  2.7490  2.1948   3.7931  11.843  5.6012 14.556  6.7861 -2.712593      8.799121 
1 1 1 23 0  0  o 88.197  2.9322 61.215   4.0440  61.215   4.0440  61.215   4.0440  88.197  2.9322 88.197  2.9322 0.000000       0.000000 
1 1 1 23 0  1  o 11.524  6.3774 1.4381   1.6873  1.4381   1.6873  1.4381   1.6873  11.524  6.3774 11.524  6.3774 0.000000       0.000000 
1 1 1 23 0  2  f 47.206  2.7857 17.670   2.0451  17.670   2.0451  17.670   2.0451  47.206  2.7857 47.206  2.7857 0.000000       0.000000 
1 1 1 23 0  3  f 11.543  6.4288 1.4282   1.7270  1.4282   1.7270  1.4282   1.7270  11.543  6.4288 11.543  6.4288 0.000000       0.000000 
1 1 1 23 0  4  o 68.831  2.2871 37.290   2.4617  37.290   2.4617  37.290   2.4617  68.831  2.2871 68.831  2.2871 0.000000       0.000000 
1 1 1 23 0  5  o 67.561  2.2680 35.929   2.3960  35.929   2.3960  35.929   2.3960  67.561  2.2680 67.561  2.2680 0.000000       0.000000 
1 1 1 23 0  6  o 26.244  4.8968 5.9469   1.8089  5.9469   1.8089  5.9469   1.8089  26.244  4.8968 26.244  4.8968 0.000000       0.000000 
1 1 1 23 0  7  o 167.272 2.1422 219.592  5.6155  219.592  5.6155  219.592  5.6155  167.272 2.1422 167.272 2.1422 0.000000       0.000000 
1 1 1 23 0  8  o 128.457 2.0201 129.528  4.0658  129.528  4.0658  129.528  4.0658  128.457 2.0201 128.457 2.0201 0.000000       0.000000 
1 1 1 23 0  9  o 99.703  2.0535 78.075   3.2065  78.075   3.2065  78.075   3.2065  99.703  2.0535 99.703  2.0535 0.000000       0.000000 
1 1 1 23 0  10 o 25.724  5.3647 5.8355   1.9071  5.8355   1.9071  5.8355   1.9071  25.724  5.3647 25.724  5.3647 0.000000       0.000000 
1 1 1 23 0  11 o 11.900  6.4920 1.5696   1.7204  1.5696   1.7204  1.5696   1.7204  11.900  6.4920 11.900  6.4920 0.000000       0.000000 
1 1 1 23 0  12 o 79.107  2.3011 49.226   2.8482  49.226   2.8482  49.226   2.8482  79.107  2.3011 79.107  2.3011 0.000000       0.000000 
1 1 1 23 0  13 o 6.3891  4.4909 -1.9361  1.7404  -1.9361  1.7404  -1.9361  1.7404  6.3891  4.4909 6.3891  4.4909 0.000000       0.000000 
1 1 1 23 0  14 o 31.512  4.7319 8.3238   2.1822  8.3238   2.1822  8.3238   2.1822  31.512  4.7319 31.512  4.7319 0.000000       0.000000 
1 1 1 23 0  15 o 37.619  4.0247 11.506   2.3050  11.506   2.3050  11.506   2.3050  37.619  4.0247 37.619  4.0247 0.000000       0.000000 
1 1 1 23 0  16 o 65.529  2.7531 33.893   2.8169  33.893   2.8169  33.893   2.8169  65.529  2.7531 65.529  2.7531 0.000000       0.000000 
1 1 1 23 0  17 o 96.438  2.2460 73.104   3.3914  73.104   3.3914  73.104   3.3914  96.438  2.2460 96.438  2.2460 0.000000       0.000000 
1 1 1 23 0  18 o 86.308  2.2874 58.586   3.0900  58.586   3.0900  58.586   3.0900  86.308  2.2874 86.308  2.2874 0.000000       0.000000 
1 1 1 23 0  19 o 67.439  2.5039 35.854   2.6389  35.854   2.6389  35.854   2.6389  67.439  2.5039 67.439  2.5039 0.000000       0.000000 
1 1 1 23 0  20 o 63.910  2.5250 32.220   2.5208  32.220   2.5208  32.220   2.5208  63.910  2.5250 63.910  2.5250 0.000000       0.000000 
1 1 1 23 0  21 o 21.795  5.9521 4.4913   1.7582  4.4913   1.7582  4.4913   1.7582  21.795  5.9521 21.795  5.9521 0.000000       0.000000 
1 1 1 23 0  22 o 39.105  3.0989 12.244   1.8723  12.244   1.8723  12.244   1.8723  39.105  3.0989 39.105  3.0989 0.000000       0.000000 
1 1 1 23 0  23 o 38.587  2.9912 11.911   1.7844  11.911   1.7844  11.911   1.7844  38.587  2.9912 38.587  2.9912 0.000000       0.000000 
1 1 1 23 0  24 o 43.810  2.7212 15.253   1.8524  15.253   1.8524  15.253   1.8524  43.810  2.7212 43.810  2.7212 0.000000       0.000000 
1 1 1 23 0  25 o 25.017  4.7415 5.4329   1.6650  5.4329   1.6650  5.4329   1.6650  25.017  4.7415 25.017  4.7415 0.000000       0.000000 
1 1 1 23 0  26 o 8.5559  5.3869 0.2782   1.5228  0.2782   1.5228  0.2782   1.5228  8.5559  5.3869 8.5559  5.3869 0.000000       0.000000 
1 1 1 23 0  27 f 62.445  2.2368 30.739   2.1833  30.739   2.1833  30.739   2.1833  62.445  2.2368 62.445  2.2368 0.000000       0.000000 
1 1 1 23 0  28 o 6.4660  4.4327 -0.9573  1.4393  -0.9573  1.4393  -0.9573  1.4393  6.4660  4.4327 6.4660  4.4327 0.000000       0.000000 
1 1 1 23 0  29 o 136.841 2.0207 147.120  4.3327  147.120  4.3327  147.120  4.3327  136.841 2.0207 136.841 2.0207 0.000000       0.000000 
1 1 1 23 0  30 o 12.580  6.3812 1.8523   1.5712  1.8523   1.5712  1.8523   1.5712  12.580  6.3812 12.580  6.3812 0.000000       0.000000 
1 1 1 23 0  31 o 37.558  3.2051 11.346   1.8555  11.346   1.8555  11.346   1.8555  37.558  3.2051 37.558  3.2051 0.000000       0.000000 
1 1 1 23 0  32 o 53.448  2.4260 22.592   2.0232  22.592   2.0232  22.592   2.0232  53.448  2.4260 53.448  2.4260 0.000000       0.000000 
1 1 1 23 0  33 o 14.183  6.4814 2.3316   1.5690  2.3316   1.5690  2.3316   1.5690  14.183  6.4814 14.183  6.4814 0.000000       0.000000 
1 1 1 23 0  34 o 11.269  6.3446 1.3653   1.7048  1.3653   1.7048  1.3653   1.7048  11.269  6.3446 11.269  6.3446 0.000000       0.000000 
1 1 1 23 0  35 o 36.851  3.0137 10.907   1.7142  10.907   1.7142  10.907   1.7142  36.851  3.0137 36.851  3.0137 0.000000       0.000000 
1 1 1 23 0  36 o 83.732  2.0484 55.184   2.6851  55.184   2.6851  55.184   2.6851  83.732  2.0484 83.732  2.0484 0.000000       0.000000 
1 1 1 23 0  37 o 32.780  3.3608 8.7389   1.6854  8.7389   1.6854  8.7389   1.6854  32.780  3.3608 32.780  3.3608 0.000000       0.000000 
1 1 1 23 0  38 o 28.634  3.9305 6.8358   1.6699  6.8358   1.6699  6.8358   1.6699  28.634  3.9305 28.634  3.9305 0.000000       0.000000 
1 1 1 23 0  39 f 9.8728  5.8616 0.8753   1.5795  0.8753   1.5795  0.8753   1.5795  9.8728  5.8616 9.8728  5.8616 0.000000       0.000000 
1 1 1 23 0  40 o 72.249  2.1591 41.155   2.4405  41.155   2.4405  41.155   2.4405  72.249  2.1591 72.249  2.1591 0.000000       0.000000 
1 1 1 23 0  41 o 78.052  2.1804 48.026   2.6632  48.026   2.6632  48.026   2.6632  78.052  2.1804 78.052  2.1804 0.000000       0.000000 
1 1 1 23 0  42 o 56.731  2.5852 25.510   2.2883  25.510   2.2883  25.510   2.2883  56.731  2.5852 56.731  2.5852 0.000000       0.000000 
1 1 1 23 0  43 o 70.430  2.2077 39.148   2.4321  39.148   2.4321  39.148   2.4321  70.430  2.2077 70.430  2.2077 0.000000       0.000000 
1 1 1 23 0  44 o 33.978  3.7629 9.4811   1.9416  9.4811   1.9416  9.4811   1.9416  33.978  3.7629 33.978  3.7629 0.000000       0.000000 
1 1 1 23 0  45 o 25.529  4.7357 5.6904   1.7036  5.6904   1.7036  5.6904   1.7036  25.529  4.7357 25.529  4.7357 0.000000       0.000000 
1 1 1 23 0  46 o 12.480  6.5530 1.8558   1.6952  1.8558   1.6952  1.8558   1.6952  12.480  6.5530 12.480  6.5530 0.000000       0.000000 
1 1 1 23 0  47 o 52.904  2.6632 22.267   2.1959  22.267   2.1959  22.267   2.1959  52.904  2.6632 52.904  2.6632 0.000000       0.000000 
1 1 1 23 0  48 o 22.202  5.4619 4.5967   1.6460  4.5967   1.6460  4.5967   1.6460  22.202  5.4619 22.202  5.4619 0.000000       0.000000 
1 1 1 23 0  49 o 50.871  2.5092 20.589   1.9900  20.589   1.9900  20.589   1.9900  50.871  2.5092 50.871  2.5092 0.000000       0.000000 
1 1 1 23 0  50 o 44.742  2.5770 15.984   1.7938  15.984   1.7938  15.984   1.7938  44.742  2.5770 44.742  2.5770 0.000000       0.000000 
1 1 1 23 0  51 o 25.313  4.3011 5.5495   1.5588  5.5495   1.5588  5.5495   1.5588  25.313  4.3011 25.313  4.3011 0.000000       0.000000 
1 1 1 23 0  52 o 7.9890  5.1949 -0.0144  1.5644  -0.0144  1.5644  -0.0144  1.5644  7.9890  5.1949 7.9890  5.1949 0.000000       0.000000 
1 1 1 23 0  53 o 17.388  6.0821 3.2257   1.5010  3.2257   1.5010  3.2257   1.5010  17.388  6.0821 17.388  6.0821 0.000000       0.000000 
1 1 1 23 0  54 o 26.142  4.6272 6.0106   1.7191  6.0106   1.7191  6.0106   1.7191  26.142  4.6272 26.142  4.6272 0.000000       0.000000 
1 1 1 23 0  55 o 8.5775  5.3504 0.4754   1.4656  0.4754   1.4656  0.4754   1.4656  8.5775  5.3504 8.5775  5.3504 0.000000       0.000000 
1 1 1 23 0  56 o 7.8727  5.2032 -0.2095  1.6683  -0.2095  1.6683  -0.2095  1.6683  7.8727  5.2032 7.8727  5.2032 0.000000       0.000000 
1 1 1 23 0  57 o 24.106  4.7940 5.2526   1.6089  5.2526   1.6089  5.2526   1.6089  24.106  4.7940 24.106  4.7940 0.000000       0.000000 
1 1 1 23 0  58 o 48.526  2.5728 18.912   1.9446  18.912   1.9446  18.912   1.9446  48.526  2.5728 48.526  2.5728 0.000000       0.000000 
1 1 1 23 0  59 o 6.4145  4.4511 -1.1666  1.5620  -1.1666  1.5620  -1.1666  1.5620  6.4145  4.4511 6.4145  4.4511 0.000000       0.000000 
1 1 1 23 0  60 o 31.396  3.6796 8.3060   1.7460  8.3060   1.7460  8.3060   1.7460  31.396  3.6796 31.396  3.6796 0.000000       0.000000 
1 1 1 23 0  61 o 16.372  6.5855 3.1629   1.6458  3.1629   1.6458  3.1629   1.6458  16.372  6.5855 16.372  6.5855 0.000000       0.000000 
1 1 1 23 0  62 o 32.871  4.8014 9.5120   2.3199  9.5120   2.3199  9.5120   2.3199  32.871  4.8014 32.871  4.8014 0.000000       0.000000 
1 1 1 23 0  63 o 51.976  2.8100 21.889   2.2744  21.889   2.2744  21.889   2.2744  51.976  2.8100 51.976  2.8100 0.000000       0.000000 
1 1 1 23 0  64 o 10.813  6.4978 1.3393   1.9867  1.3393   1.9867  1.3393   1.9867  10.813  6.4978 10.813  6.4978 0.000000       0.000000 
1 1 1 23 0  65 o 14.694  7.0958 2.9181   1.9006  2.9181   1.9006  2.9181   1.9006  14.694  7.0958 14.694  7.0958 0.000000       0.000000 
1 1 1 23 0  66 o 7.6556  5.2172 -0.6676  1.9296  -0.6676  1.9296  -0.6676  1.9296  7.6556  5.2172 7.6556  5.2172 0.000000       0.000000 
1 1 1 23 0  67 o 11.043  6.5419 1.5995   1.9599  1.5995   1.9599  1.5995   1.9599  11.043  6.5419 11.043  6.5419 0.000000       0.000000 
1 1 1 23 1  0  o 10.293  6.0667 0.9506   1.6703  0.9506   1.6703  0.9506   1.6703  10.293  6.0667 10.293  6.0667 0.000000       0.000000 
1 1 1 23 1  1  o 80.939  1.4928 51.402   1.8942  48.872   2.6290  54.134   2.7316  78.880  2.1260 83.020  2.0988 -4.139908      2.987449 
1 1 1 23 1  2  o 89.068  1.4513 62.243   2.0265  62.213   2.8581  62.274   2.8738  89.004  2.0484 89.047  2.0586 -0.4330444E-01 2.904110 
1 1 1 23 1  3  o 122.299 1.4250 117.348  2.7320  116.730  3.8676  117.963  3.8598  121.918 2.0236 122.562 2.0089 -0.6437683     2.851412 
1 1 1 23 1  4  o 18.675  4.3188 2.8670   1.2392  2.3573   1.7481  3.3818   1.7569  17.443  5.6216 20.282  5.4215 -2.839037      7.809896 
1 1 1 23 1  5  o 103.911 1.5755 84.734   2.5665  82.394   3.6036  87.143   3.6563  102.404 2.2447 105.318 2.2145 -2.913399      3.153239 
1 1 1 23 1  6  o 44.885  2.0042 15.822   1.4102  14.317   1.9652  17.420   2.0250  42.546  2.9649 46.976  2.7619 -4.430222      4.051996 
1 1 1 23 1  7  o 146.199 1.4613 167.713  3.3493  169.458  4.7537  165.992  4.7196  146.882 2.0645 145.371 2.0710 1.511002       2.924212 
1 1 1 23 1  8  o 85.018  1.6131 56.729   2.1499  57.829   3.0393  55.628   3.0416  85.784  2.2600 84.131  2.3062 1.652939       3.228938 
1 1 1 23 1  9  o 34.585  2.4832 9.4529   1.3374  8.9910   1.8563  9.9514   1.9284  33.572  3.5824 35.347  3.5272 -1.775345      5.027414 
1 1 1 23 1  10 o 56.306  1.7143 24.888   1.5132  23.449   2.1060  26.425   2.1757  54.609  2.4600 57.976  2.3939 -3.366528      3.432517 
1 1 1 23 1  11 o 90.544  1.4499 64.332   2.0581  70.277   3.0362  59.278   2.7993  94.582  2.0477 86.865  2.0557 7.716713       2.901524 
1 1 1 23 1  12 o 66.729  1.5889 34.950   1.6622  37.222   2.3579  32.707   2.3435  68.820  2.1855 64.501  2.3176 4.319534       3.185570 
1 1 1 23 1  13 o 50.755  1.7784 20.228   1.4150  18.492   1.9546  22.141   2.0511  48.411  2.5848 53.057  2.4660 -4.645531      3.572487 
1 1 1 23 1  14 o 85.352  1.4488 57.172   1.9386  56.446   2.7168  57.925   2.7670  84.757  2.0447 85.859  2.0557 -1.102722      2.899448 
1 1 1 23 1  15 o 82.558  1.4555 53.493   1.8837  52.150   2.6410  54.885   2.6876  81.462  2.0680 83.572  2.0514 -2.110657      2.912873 
1 1 1 23 1  16 o 79.722  1.5357 49.890   1.9193  46.814   2.7649  52.751   2.6663  77.156  2.2859 81.925  2.0760 -4.769119      3.087921 
1 1 1 23 1  17 o 92.966  1.5414 67.849   2.2465  70.551   3.2123  65.262   3.1428  94.729  2.1631 91.104  2.2005 3.625000       3.085666 
1 1 1 23 1  18 o 61.940  1.8513 30.142   1.7976  27.830   2.6366  32.150   2.4574  59.426  2.8301 63.915  2.4525 -4.489052      3.744915 
1 1 1 23 1  19 o 62.989  1.8406 31.173   1.8175  29.576   2.4326  33.191   2.7344  61.291  2.5318 64.909  2.6872 -3.618870      3.692014 
1 1 1 23 1  20 o 52.849  1.8694 21.948   1.5488  24.065   2.2233  19.952   2.1587  55.278  2.5656 50.241  2.7513 5.037109       3.761950 
1 1 1 23 1  21 f 35.015  2.7569 9.7238   1.5011  10.732   2.0044  8.4366   2.2651  36.666  3.5307 32.241  4.6131 4.425060       5.809148 
1 1 1 23 1  22 o 78.321  1.8245 48.206   2.2402  44.070   3.0212  53.258   3.3387  74.789  2.5768 82.215  2.5905 -7.425896      3.653822 
1 1 1 23 1  23 f 86.871  1.6938 59.290   2.3067  57.553   3.0754  61.524   3.4876  85.507  2.2943 88.369  2.5175 -2.862465      3.406092 
1 1 1 23 1  24 o 28.930  3.0838 6.6858   1.3770  9.5957   1.9711  3.9118   1.9245  34.602  3.6907 21.655  5.6203 12.94742       6.723755 
1 1 1 23 1  25 o 59.934  1.8259 28.238   1.7156  28.769   2.4531  27.730   2.4000  60.406  2.5905 59.307  2.5814 1.099449       3.657120 
1 1 1 23 1  26 o 39.319  2.3601 12.222   1.4480  12.257   2.0619  12.188   2.0340  39.200  3.3886 39.096  3.3511 0.1039886      4.765828 
1 1 1 23 1  27 o 49.487  2.0186 19.269   1.5660  18.406   2.1842  20.182   2.2464  48.182  2.9053 50.472  2.8508 -2.289783      4.070301 
1 1 1 23 1  28 o 71.309  1.6153 39.960   1.8058  40.749   2.6711  39.295   2.4506  71.905  2.3696 70.636  2.2130 1.269203       3.242314 
1 1 1 23 1  29 o 79.609  1.4778 49.785   1.8443  51.512   2.6218  48.094   2.5949  80.892  2.0674 78.154  2.1180 2.737762       2.959738 
1 1 1 23 1  30 o 69.401  1.5213 37.845   1.6551  37.983   2.3164  37.700   2.3657  69.447  2.1277 69.180  2.1814 0.2670364      3.047194 
1 1 1 23 1  31 o 37.794  2.1900 11.291   1.2920  11.240   1.8636  11.339   1.7928  37.528  3.1982 37.724  3.0578 -0.1960335     4.424770 
1 1 1 23 1  32 o 27.624  2.7377 6.0895   1.1700  7.5774   1.6659  4.6416   1.6434  30.684  3.5274 23.674  4.5939 7.010010       5.791933 
1 1 1 23 1  33 o 66.352  1.5659 34.607   1.6288  35.049   2.2839  34.150   2.3236  66.684  2.1847 65.812  2.2521 0.8717422      3.137696 
1 1 1 23 1  34 o 61.997  1.7288 30.236   1.6802  32.285   2.3789  28.197   2.3734  63.961  2.3725 59.747  2.5340 4.214439       3.471294 
1 1 1 23 1  35 o 47.847  1.8395 18.021   1.3798  17.191   1.9352  18.879   1.9678  46.552  2.6628 48.808  2.5810 -2.255615      3.708337 
1 1 1 23 1  36 o 68.111  1.5693 36.478   1.6756  37.624   2.3886  35.368   2.3511  69.065  2.2061 66.956  2.2399 2.109047       3.143858 
1 1 1 23 1  37 o 82.453  1.5741 53.465   2.0347  54.161   2.8814  52.773   2.8735  82.853  2.2184 81.778  2.2414 1.074440       3.153624 
1 1 1 23 1  38 o 59.040  1.6891 27.431   1.5634  25.753   2.2589  28.974   2.1660  57.066  2.5250 60.579  2.2807 -3.513058      3.402530 
1 1 1 23 1  39 o 47.320  1.9029 17.644   1.4116  16.277   1.9869  19.037   2.0059  45.226  2.8164 48.970  2.6225 -3.744377      3.848277 
1 1 1 23 1  40 o 23.152  3.8471 4.4022   1.3473  4.7661   1.9172  4.0472   1.8937  23.726  5.2894 21.810  5.5306 1.916054       7.652729 
1 1 1 23 1  41 o 28.132  3.1694 6.3782   1.3734  6.0185   2.0200  6.6873   1.8728  26.795  4.9926 28.492  4.3291 -1.696770      6.608086 
1 1 1 23 1  42 o 50.990  1.9029 20.503   1.5211  19.126   2.0993  22.026   2.2070  49.014  2.7431 52.626  2.6841 -3.612186      3.837885 
1 1 1 23 1  43 o 10.477  4.3934 0.1947   1.2160  0.3663   1.8377  0.0611   1.6219  12.892  5.4032 11.671  4.9908 1.221579       7.355427 
1 1 1 23 1  44 o 64.115  1.5917 32.375   1.5998  32.665   2.2709  32.090   2.2542  64.247  2.2547 63.679  2.2581 0.5689888      3.191037 
1 1 1 23 1  45 o 20.319  3.7182 3.4215   1.1407  2.9322   1.6203  3.9023   1.6062  18.565  5.3034 21.409  4.8926 -2.843876      7.215506 
1 1 1 23 1  46 o 51.224  1.7126 20.696   1.3752  20.419   1.9967  20.946   1.8969  50.699  2.5122 51.390  2.3546 -0.6917801     3.443162 
1 1 1 23 1  47 o 40.765  1.9014 13.133   1.2151  13.281   1.7070  12.980   1.7300  40.745  2.6876 40.257  2.7579 0.4876709      3.850852 
1 1 1 23 1  48 o 13.400  4.2866 1.4522   1.0179  0.0002   1.3977  3.0917   1.4853  10.691  4.6037 18.955  4.9460 -8.264708      6.756963 
1 1 1 23 1  49 o 54.373  1.6586 23.340   1.4137  23.310   2.0036  23.369   1.9951  54.141  2.3606 54.213  2.3475 -0.7214737E-01 3.329153 
1 1 1 23 1  50 o 30.127  2.5219 7.2886   1.1801  9.5023   1.6641  5.0486   1.6739  34.218  3.1370 24.348  4.5528 9.870392       5.528918 
1 1 1 23 1  51 o 37.668  2.1779 11.316   1.2806  11.938   1.8672  10.764   1.7597  38.348  3.1333 36.410  3.1129 1.938473       4.416702 
1 1 1 23 1  52 o 61.073  1.6728 29.501   1.6016  30.728   2.1790  28.058   2.3622  62.111  2.2378 59.213  2.5447 2.897961       3.388730 
1 1 1 23 1  53 o 17.399  4.1098 2.6041   1.1031  1.8166   1.5434  3.4266   1.5773  15.044  5.2840 19.680  5.0784 -4.636063      7.328771 
1 1 1 23 1  54 o 7.0901  3.3876 -1.3272  1.0583  0.4877   1.5373  -2.9620  1.4590  11.912  4.9629 7.2510  3.5761 4.660813       6.117146 
1 1 1 23 1  55 o 17.774  4.0060 2.7247   1.0895  0.9909   1.5355  4.4827   1.5462  12.926  5.1130 22.699  4.5040 -9.773247      6.813889 
1 1 1 23 1  56 o 27.336  2.7110 6.0893   1.1464  5.7206   1.6201  6.4592   1.6226  25.858  4.1359 27.654  3.8469 -1.796083      5.648337 
1 1 1 23 1  57 o 9.1944  4.0087 -0.0666  1.0868  -0.0528  1.5740  -0.0791  1.5024  10.961  4.8004 10.686  4.6847 0.2752705      6.707454 
1 1 1 23 1  58 o 24.744  3.0979 5.0739   1.1754  4.8665   1.6576  5.2836   1.6669  23.467  4.6700 24.574  4.4926 -1.106600      6.480112 
1 1 1 23 1  59 o 24.096  3.2957 4.8550   1.2123  5.3806   1.6427  4.2263   1.7965  24.835  4.3793 21.440  5.3595 3.394590       6.921135 
1 1 1 23 1  60 o 8.6740  3.9477 -0.5458  1.1785  -1.2183  1.5841  0.2879   1.7637  9.3089  4.3549 12.010  5.1716 -2.700997      6.760950 
1 1 1 23 1  61 o 33.724  2.4525 9.2274   1.2877  6.8559   1.8103  11.656   1.8320  28.105  4.2408 37.531  3.1427 -9.425777      5.278308 
1 1 1 23 1  62 o 39.390  2.5449 12.625   1.5631  12.060   2.3167  13.096   2.1178  37.513  4.0012 39.527  3.4523 -2.014908      5.284691 
1 1 1 23 1  63 o 22.284  4.0953 4.3564   1.3780  3.3208   1.9279  5.4380   1.9702  18.587  5.8946 24.124  5.3498 -5.537092      7.960345 
1 1 1 23 1  64 o 9.3291  4.3069 -0.7957  1.4718  -2.0309  2.0379  0.5512   2.1280  9.8235  4.6957 13.060  5.6520 -3.236857      7.348120 
1 1 1 23 1  65 o 17.995  4.9005 3.0389   1.4198  3.3417   1.9538  2.7001   2.0666  18.349  5.9463 16.809  6.0903 1.539919       8.511757 
1 1 1 23 1  66 o 9.7492  4.3889 -0.2830  1.4098  -1.5377  1.8894  1.2929   2.1176  9.7196  4.6105 13.961  5.8215 -4.241710      7.426028 
1 1 1 23 2  0  o 101.932 2.0344 81.620   3.2480  81.620   3.2480  81.620   3.2480  101.932 2.0344 101.932 2.0344 0.000000       0.000000 
1 1 1 23 2  1  o 123.689 1.4272 120.058  2.7673  115.603  3.8433  124.855  3.9879  121.300 2.0211 126.062 2.0179 -4.761368      2.856046 
1 1 1 23 2  2  o 35.531  2.3800 9.9718   1.3180  9.5217   1.8380  10.448   1.8910  34.569  3.4373 36.238  3.3671 -1.669857      4.811726 
1 1 1 23 2  3  o 14.407  4.6679 1.5975   1.2041  1.5801   1.7475  1.6132   1.6615  15.437  5.5992 15.334  5.4724 0.1022663      7.829350 
1 1 1 23 2  4  o 77.951  1.5129 47.693   1.8487  47.870   2.5992  47.511   2.6301  78.045  2.1244 77.749  2.1579 0.2961884      3.028112 
1 1 1 23 2  5  o 29.911  2.8943 7.1123   1.3402  8.4042   2.0193  6.0953   1.7917  32.338  4.0735 27.415  4.3112 4.923225       5.931280 
1 1 1 23 2  6  o 59.043  1.6819 27.372   1.5568  23.721   2.1231  31.616   2.2895  54.912  2.4663 63.409  2.3032 -8.497112      3.374511 
1 1 1 23 2  7  o 27.507  2.9275 6.0281   1.2430  4.0211   1.7534  8.0555   1.7623  22.039  5.1651 31.733  3.6067 -9.693657      6.299735 
1 1 1 23 2  8  o 63.727  1.6707 31.888   1.6691  29.683   2.2562  34.553   2.4806  61.434  2.3426 66.277  2.3874 -4.843269      3.344827 
1 1 1 23 2  9  o 59.566  1.6474 27.858   1.5383  26.712   2.1331  29.101   2.2205  58.277  2.3349 60.828  2.3286 -2.551033      3.297611 
1 1 1 23 2  10 o 55.942  1.7089 24.577   1.4987  24.839   2.1090  24.309   2.1301  56.189  2.3943 55.583  2.4445 0.6068840      3.421741 
1 1 1 23 2  11 o 140.779 1.4432 155.559  3.1850  159.305  4.5670  152.012  4.4440  142.366 2.0463 139.070 2.0384 3.295654       2.888328 
1 1 1 23 2  12 o 56.427  1.7201 25.007   1.5216  21.882   2.0770  28.627   2.2354  52.724  2.5129 60.319  2.3640 -7.595215      3.450105 
1 1 1 23 2  13 o 39.917  2.1244 12.563   1.3246  13.195   1.8920  11.956   1.8550  40.798  2.9789 38.809  3.0741 1.988426       4.280592 
1 1 1 23 2  14 o 41.632  1.9809 13.623   1.2928  13.750   1.8272  13.496   1.8294  41.674  2.8134 41.279  2.8444 0.3943901      4.000700 
1 1 1 23 2  15 o 69.987  1.5647 38.463   1.7167  37.808   2.4078  39.139   2.4483  69.327  2.2155 70.537  2.2141 -1.209702      3.132165 
1 1 1 23 2  16 o 63.959  1.5477 32.123   1.5518  35.298   2.2428  29.206   2.1494  66.991  2.1355 60.926  2.2504 6.065872       3.102398 
1 1 1 23 2  17 o 12.880  4.5622 1.1521   1.1527  0.7565   1.6812  1.5031   1.5834  13.369  5.3306 14.847  5.3377 -1.477792      7.543564 
1 1 1 23 2  18 o 81.099  1.4658 51.641   1.8636  50.758   2.6256  52.538   2.6455  80.332  2.0849 81.731  2.0648 -1.399040      2.934303 
1 1 1 23 2  19 o 79.929  1.5291 50.172   1.9160  51.641   2.6234  48.493   2.8049  81.026  2.0654 78.488  2.2796 2.537971       3.076098 
1 1 1 23 2  20 o 41.278  2.1081 13.440   1.3596  15.151   2.0749  12.153   1.7998  43.689  3.0486 39.123  2.9564 4.566906       4.246651 
1 1 1 23 2  21 o 22.341  3.3893 4.0384   1.1498  3.8340   1.5994  4.2570   1.6541  21.483  4.8624 22.665  4.8045 -1.182253      6.835625 
1 1 1 23 2  22 o 73.136  1.6047 42.024   1.8398  40.552   2.4947  43.780   2.7241  71.768  2.2174 74.552  2.3308 -2.784416      3.217057 
1 1 1 23 2  23 o 32.216  2.5839 8.2375   1.2940  7.4553   1.9039  8.9090   1.7641  30.339  4.1087 33.362  3.4213 -3.022802      5.346695 
1 1 1 23 2  24 o 81.564  1.5320 52.265   1.9588  53.560   2.8789  51.148   2.6730  82.465  2.2269 80.606  2.1153 1.859207       3.071449 
1 1 1 23 2  25 o 16.077  4.5351 2.1239   1.1926  2.2418   1.7509  2.0220   1.6288  17.004  5.6352 16.245  5.4368 0.7585583      7.830390 
1 1 1 23 2  26 o 25.341  3.3288 5.1754   1.2904  5.2460   1.7947  5.0998   1.8567  25.199  4.7166 24.782  4.9524 0.4162807      6.839046 
1 1 1 23 2  27 o 43.675  2.1177 15.023   1.4499  14.731   2.0098  15.340   2.0937  43.044  2.9971 43.916  3.0603 -0.8722572     4.283499 
1 1 1 23 2  28 o 57.501  1.9076 26.021   1.7196  26.539   2.2917  25.354   2.6015  57.984  2.5211 56.529  2.9458 1.455196       3.877326 
1 1 1 23 2  29 o 48.843  2.0765 18.791   1.5899  19.683   2.1036  17.603   2.4282  49.832  2.7029 46.983  3.3181 2.849232       4.279614 
1 1 1 23 2  30 o 79.502  1.7265 49.717   2.1518  51.197   2.9163  47.949   3.1878  80.566  2.3090 77.901  2.6104 2.665390       3.485060 
1 1 1 23 2  31 o 33.526  2.9596 8.9706   1.5395  8.2805   2.1058  9.7630   2.2564  31.872  4.3264 34.676  4.2392 -2.803911      6.057109 
1 1 1 23 2  32 o 24.416  4.1227 4.8946   1.5218  1.9572   1.9598  9.3557   2.4152  16.565  5.9401 33.793  4.6850 -17.22863      7.565332 
1 1 1 23 2  33 o 58.207  1.9849 26.692   1.8112  28.948   2.6634  24.752   2.4704  60.463  2.8098 55.836  2.8315 4.627293       3.989055 
1 1 1 23 2  34 o 90.581  1.6023 64.534   2.2752  66.161   3.5780  63.430   2.9480  91.494  2.4946 89.694  2.0966 1.799561       3.258625 
1 1 1 23 2  35 o 65.389  2.0505 33.709   2.1019  32.317   3.1495  34.827   2.8225  63.774  3.1502 66.320  2.7148 -2.546200      4.158603 
1 1 1 23 2  36 o 62.603  1.9260 30.883   1.8901  32.445   2.7348  29.454   2.6153  63.997  2.7260 60.974  2.7361 3.023113       3.862244 
1 1 1 23 2  37 o 92.906  1.5530 67.901   2.2618  68.127   3.1897  67.672   3.2078  92.896  2.1903 92.579  2.2103 0.3166428      3.111690 
1 1 1 23 2  38 o 59.110  1.7542 27.519   1.6255  26.018   2.2561  29.139   2.3441  57.332  2.5102 60.684  2.4640 -3.352043      3.517448 
1 1 1 23 2  39 o 10.920  4.2872 0.5898   1.0719  -0.8248  1.5363  1.9319   1.4964  9.9625  4.5237 15.670  5.2103 -5.707329      6.900082 
1 1 1 23 2  40 o 38.651  2.1719 11.841   1.3106  11.136   1.7661  12.706   1.9554  37.276  3.0489 39.802  3.1598 -2.525810      4.390916 
1 1 1 23 2  41 f 46.784  1.7903 17.256   1.3130  15.139   1.8473  19.417   1.8667  43.576  2.7177 49.513  2.4049 -5.936501      3.629005 
1 1 1 23 2  42 o 55.065  1.6834 23.896   1.4531  23.821   2.0956  23.965   2.0167  54.816  2.4386 55.006  2.3387 -0.1898270     3.378865 
1 1 1 23 2  43 o 55.879  1.7468 24.626   1.5302  24.006   2.0924  25.340   2.2436  55.012  2.4262 56.491  2.5335 -1.478359      3.507848 
1 1 1 23 2  44 o 35.478  2.2332 10.010   1.2357  8.3641   1.7538  11.633   1.7415  32.053  3.5497 38.064  2.9413 -6.010197      4.609968 
1 1 1 23 2  45 o 28.297  2.7205 6.4386   1.1920  5.5223   1.7106  7.3034   1.6618  25.659  4.4115 29.880  3.6218 -4.220240      5.707785 
1 1 1 23 2  46 o 32.840  2.4056 8.6167   1.2298  8.8169   1.7933  8.4390   1.6898  32.867  3.5361 32.196  3.3993 0.6711235      4.904982 
1 1 1 23 2  47 o 16.713  4.0318 2.3687   1.0442  2.6853   1.4588  2.0360   1.4953  17.674  5.0263 15.766  5.2067 1.907950       7.236956 
1 1 1 23 2  48 o 30.213  2.4308 7.3175   1.1416  6.5135   1.5919  8.1688   1.6379  28.078  3.7072 31.628  3.3546 -3.549957      4.999684 
1 1 1 23 2  49 o 80.424  1.4812 51.031   1.8675  51.053   2.7251  51.012   2.5642  80.142  2.1690 80.174  2.0402 -0.3191376E-01 2.977784 
1 1 1 23 2  50 o 30.143  2.5386 7.3172   1.1884  8.6666   1.6892  5.9945   1.6723  32.512  3.3628 26.671  4.1334 5.840731       5.328569 
1 1 1 23 2  51 o 30.952  2.4722 7.7134   1.1896  6.3709   1.6596  9.1323   1.7061  27.540  3.9576 33.365  3.3052 -5.824604      5.156246 
1 1 1 23 2  52 o 10.082  4.2343 0.2410   1.1325  -0.3819  1.4935  1.0841   1.7373  10.240  4.5703 13.630  5.4237 -3.390364      7.092549 
1 1 1 23 2  53 f 24.761  3.2079 5.0717   1.2159  6.6392   1.7604  3.6415   1.6815  27.936  4.1454 20.114  5.2695 7.821505       6.704637 
1 1 1 23 2  54 f 11.928  4.5111 0.9662   1.1558  0.9127   1.5433  1.0345   1.7442  12.739  5.0977 13.455  5.4070 -0.7166424     7.431177 
1 1 1 23 2  55 o 36.579  2.2940 10.767   1.3088  11.088   1.7613  10.371   1.9558  36.745  3.0862 35.250  3.5895 1.494976       4.733778 
1 1 1 23 2  56 o 30.822  2.6851 7.7415   1.2844  10.134   1.8250  5.3929   1.8081  34.929  3.3749 24.625  4.8564 10.30436       5.913883 
1 1 1 23 2  57 o 11.472  4.4577 0.8277   1.1496  0.3200   1.5543  1.4408   1.7080  11.502  4.9012 14.133  5.4498 -2.630992      7.329506 
1 1 1 23 2  58 o 13.250  4.6761 1.4194   1.2098  0.2456   1.6893  2.6556   1.7335  11.732  5.0566 17.100  5.6043 -5.367300      7.548350 
1 1 1 23 2  59 o 20.308  3.9973 3.5867   1.2273  5.2488   1.6901  1.7325   1.7851  24.326  4.6004 14.833  5.6071 9.493434       7.252760 
1 1 1 23 2  60 o 10.884  4.4753 0.5236   1.2276  0.6158   1.8728  0.4542   1.6255  12.762  5.4070 11.865  5.0327 0.8969545      7.386750 
1 1 1 23 2  61 o 18.948  4.5284 3.2372   1.3268  3.9524   2.1651  2.8070   1.6790  20.057  6.2304 17.345  5.5009 2.711878       8.311290 
1 1 1 23 2  62 f 16.635  5.0348 2.5590   1.4255  4.3250   2.0069  0.7611   2.0250  21.049  5.8640 13.206  5.6100 7.843475       8.115329 
1 1 1 23 2  63 o 21.808  4.2724 4.2564   1.4084  3.2973   1.9385  5.3287   2.0497  18.315  5.9216 23.451  5.6436 -5.136587      8.180216 
1 1 1 23 2  64 o 8.4386  3.9858 -1.2004  1.3840  -0.0869  2.1008  -2.0543  1.8396  11.961  5.3735 9.1182  4.3855 2.842630       6.935934 
1 1 1 23 3  0  o 23.352  5.4198 4.9331   1.7258  4.9331   1.7258  4.9331   1.7258  23.352  5.4198 23.352  5.4198 0.000000       0.000000 
1 1 1 23 3  1  o 71.998  1.5285 40.699   1.7252  43.710   2.4902  37.921   2.3924  74.555  2.1306 69.435  2.1978 5.119949       3.061032 
1 1 1 23 3  2  o 58.723  1.6800 27.084   1.5466  28.977   2.2555  25.404   2.1248  60.679  2.3711 56.814  2.3857 3.865532       3.363557 
1 1 1 23 3  3  o 50.660  1.8137 20.164   1.4404  22.832   2.0836  17.721   1.9934  53.853  2.4680 47.349  2.6967 6.504532       3.655566 
1 1 1 23 3  4  o 10.610  4.3749 0.2735   1.1770  0.0750   1.5892  0.5145   1.7518  11.738  4.9773 13.107  5.3628 -1.369217      7.316673 
1 1 1 23 3  5  o 25.968  3.1685 5.4016   1.2631  6.6720   1.9162  4.4254   1.6797  28.654  4.4069 23.157  4.7853 5.497566       6.505328 
1 1 1 23 3  6  o 16.087  4.4506 2.1206   1.1603  1.9169   1.6499  2.3200   1.6321  16.058  5.4714 17.129  5.4225 -1.070318      7.703254 
1 1 1 23 3  7  o 71.847  1.5716 40.536   1.7701  39.352   2.5747  41.597   2.4375  70.712  2.3226 72.724  2.1380 -2.011398      3.156839 
1 1 1 23 3  8  o 105.202 1.4333 86.886   2.3638  88.639   3.3305  85.106   3.3554  106.180 2.0009 104.033 2.0574 2.146469       2.869908 
1 1 1 23 3  9  o 43.302  1.9912 14.742   1.3517  15.992   1.9454  13.576   1.8795  44.952  2.7742 41.380  2.9159 3.571545       4.024754 
1 1 1 23 3  10 o 81.211  1.4680 51.783   1.8690  51.996   2.6455  51.571   2.6408  81.309  2.0754 80.976  2.0803 0.3331680      2.938530 
1 1 1 23 3  11 o 30.374  2.6965 7.3297   1.2706  7.9970   1.7826  6.6404   1.8116  31.566  3.6709 28.624  4.1590 2.942400       5.547297 
1 1 1 23 3  12 o 57.137  1.6575 25.647   1.4846  26.668   2.1227  24.669   2.0772  58.200  2.3265 55.973  2.3672 2.227757       3.319121 
1 1 1 23 3  13 o 66.872  1.5627 35.123   1.6383  38.280   2.3784  32.272   2.2599  69.747  2.1752 64.030  2.2514 5.716408       3.130529 
1 1 1 23 3  14 o 42.705  1.9841 14.343   1.3283  15.438   1.8587  13.200   1.8990  44.163  2.6976 40.775  2.9918 3.387932       4.028361 
1 1 1 23 3  15 o 65.783  1.5507 33.990   1.5991  34.416   2.2548  33.559   2.2683  66.127  2.1751 65.293  2.2160 0.8338013      3.105131 
1 1 1 23 3  16 o 53.705  1.7208 22.667   1.4488  21.866   2.0552  23.459   2.0427  52.672  2.4889 54.568  2.3879 -1.895767      3.449195 
1 1 1 23 3  17 o 23.930  3.1623 4.6059   1.1572  4.1499   1.5948  5.1129   1.6818  22.384  4.6949 24.957  4.4624 -2.573095      6.477276 
1 1 1 23 3  18 o 61.719  1.6187 29.932   1.5662  29.767   2.1846  30.105   2.2466  61.477  2.2668 61.818  2.3182 -0.3411903     3.242267 
1 1 1 23 3  19 o 146.208 1.4694 167.907  3.3680  163.851  4.6846  172.247  4.8457  144.283 2.0711 147.928 2.0896 -3.645004      2.942068 
1 1 1 23 3  20 o 77.790  1.5129 47.539   1.8449  46.492   2.5783  48.639   2.6411  76.841  2.1404 78.595  2.1436 -1.753677      3.029188 
1 1 1 23 3  21 o 20.868  3.6205 3.5546   1.1415  3.3137   1.5938  3.8082   1.6355  19.924  5.0855 21.361  4.9765 -1.436943      7.115334 
1 1 1 23 3  22 o 76.317  1.5164 45.763   1.8142  43.898   2.5167  47.781   2.6177  74.655  2.1504 77.888  2.1439 -3.233170      3.036468 
1 1 1 23 3  23 o 52.841  1.7504 21.958   1.4500  23.672   2.0738  20.319   2.0280  54.783  2.4148 50.672  2.5613 4.110836       3.520132 
1 1 1 23 3  24 o 12.837  4.5460 1.1588   1.1444  -0.2371  1.5672  2.7534   1.6751  11.055  4.8171 18.297  5.4400 -7.242027      7.266183 
1 1 1 23 3  25 f 69.353  1.5262 37.802   1.6593  35.136   2.2964  40.714   2.4003  66.769  2.1939 71.885  2.1300 -5.116150      3.057836 
1 1 1 23 3  26 o 76.149  1.4452 45.563   1.7253  41.903   2.4291  49.290   2.4508  72.922  2.1249 79.117  1.9760 -6.195313      2.901671 
1 1 1 23 3  27 o 52.299  1.8372 21.527   1.5063  22.493   2.2154  20.696   2.0541  53.343  2.6492 51.117  2.5715 2.225216       3.692006 
1 1 1 23 3  28 o 30.603  2.7242 7.4655   1.2933  6.6808   1.8364  8.2377   1.8216  28.593  4.2241 31.943  3.7065 -3.350937      5.619755 
1 1 1 23 3  29 o 69.154  1.7090 37.625   1.8528  41.466   2.6186  33.775   2.6219  72.487  2.3044 65.370  2.5585 7.117393       3.443252 
1 1 1 23 3  30 o 11.066  4.7021 0.0783   1.4231  -3.9030  2.0762  3.6071   1.9546  8.9758  4.3941 20.689  5.7953 -11.71282      7.272861 
1 1 1 23 3  31 o 55.426  2.0466 24.216   1.7783  24.670   2.4833  23.739   2.5477  55.724  2.8523 54.625  2.9864 1.099670       4.129663 
1 1 1 23 3  32 o 113.954 1.6249 102.160  2.9027  100.245  4.2566  103.824  3.9685  112.632 2.4107 114.700 2.2070 -2.067749      3.268432 
1 1 1 23 3  33 o 38.710  2.3723 11.884   1.4327  14.655   2.2319  9.9424   1.8684  42.767  3.3559 35.158  3.4339 7.609142       4.801398 
1 1 1 23 3  34 o 38.851  2.4144 11.980   1.4632  12.114   2.0305  11.835   2.1104  38.844  3.3678 38.341  3.5515 0.5028000      4.894366 
1 1 1 23 3  35 o 28.514  2.9583 6.5264   1.3031  6.6047   1.8083  6.4418   1.8796  28.361  4.1936 27.928  4.4418 0.4332428      6.108685 
1 1 1 23 3  36 o 24.631  3.3050 4.9212   1.2440  5.4974   1.6742  4.2109   1.8587  25.785  4.2928 22.235  5.3887 3.549408       6.889526 
1 1 1 23 3  37 o 72.361  1.6476 41.232   1.8690  38.877   2.4369  44.597   2.9126  70.134  2.2164 75.039  2.4760 -4.905174      3.323088 
1 1 1 23 3  38 o 40.609  2.2174 13.077   1.4062  10.862   1.8073  16.476   2.2387  36.769  3.1663 45.337  3.1697 -8.567749      4.480268 
1 1 1 23 3  39 o 53.729  1.9999 22.798   1.6845  19.479   2.2720  26.849   2.5103  49.366  2.9492 58.114  2.7555 -8.748062      4.036174 
1 1 1 23 3  40 o 69.135  1.5952 37.653   1.7289  35.868   2.3788  39.651   2.5171  67.308  2.2544 70.764  2.2690 -3.455315      3.198606 
1 1 1 23 3  41 o 48.954  1.9238 18.931   1.4764  18.029   2.2601  19.601   1.9500  47.405  3.0575 49.618  2.5151 -2.212936      3.959075 
1 1 1 23 3  42 o 43.067  2.0121 14.669   1.3584  14.554   1.9712  14.773   1.8747  42.578  2.9718 42.954  2.7993 -0.3764153     4.082604 
1 1 1 23 3  43 o 42.653  1.9848 14.393   1.3271  13.822   1.9346  14.900   1.8240  41.455  2.9971 43.147  2.7104 -1.692097      4.040876 
1 1 1 23 3  44 o 48.292  1.8385 18.434   1.3918  18.322   1.8700  18.574   2.0840  47.912  2.4983 48.142  2.7731 -0.2297363     3.732514 
1 1 1 23 3  45 o 17.490  4.3086 2.6105   1.1736  1.6236   1.6286  3.6767   1.6927  14.849  5.4025 20.537  5.2404 -5.688812      7.526519 
1 1 1 23 3  46 o 13.492  4.6521 1.4155   1.1936  1.2527   1.7863  1.5469   1.6044  14.269  5.5532 14.579  5.3534 -0.3104982     7.713471 
1 1 1 23 3  47 o 51.042  1.9322 20.653   1.5461  20.966   2.2734  20.382   2.1089  51.019  2.8539 50.381  2.6798 0.6376152      3.914841 
1 1 1 23 3  48 o 31.032  2.7798 7.7941   1.3380  7.3514   1.9683  8.1743   1.8242  29.454  4.3975 31.378  3.7850 -1.924116      5.802119 
1 1 1 23 3  49 o 26.899  3.0830 5.9268   1.2766  7.6481   1.8777  4.4474   1.7408  30.153  4.0768 22.457  5.0655 7.696371       6.502301 
1 1 1 23 3  50 o 44.535  2.0178 15.782   1.4088  16.891   2.1800  14.986   1.8460  45.536  3.0718 43.044  2.7501 2.492172       4.122967 
1 1 1 23 3  51 f 30.460  2.8378 7.5623   1.3395  5.8252   2.0085  8.9539   1.7976  25.581  5.1860 32.828  3.5496 -7.246946      6.284391 
1 1 1 23 3  52 o 60.259  1.8685 28.877   1.7651  28.437   2.5703  29.269   2.4281  59.293  2.7652 60.282  2.5693 -0.9890900     3.774622 
1 1 1 23 3  53 o 20.853  3.9135 3.7326   1.2324  4.8044   1.7721  2.7288   1.7150  23.153  5.0265 17.412  5.5635 5.740088       7.497855 
1 1 1 23 3  54 o 28.048  2.8912 6.4610   1.2530  8.9784   1.7845  4.0126   1.7599  32.768  3.5296 20.917  5.3466 11.85050       6.406620 
1 1 1 23 3  55 o 14.737  4.6320 1.8937   1.1927  2.1607   1.6813  1.6232   1.6923  15.809  5.5172 14.510  5.4654 1.299279       7.765936 
1 1 1 23 3  56 o 18.400  4.3879 3.0045   1.2479  4.8951   1.8103  1.2923   1.7227  23.194  5.1160 13.796  5.4289 9.397994       7.459646 
1 1 1 23 3  57 o 13.783  4.6932 1.6030   1.2139  1.9930   1.7588  1.2481   1.6776  15.396  5.6123 13.589  5.3542 1.806607       7.756645 
1 1 1 23 3  58 o 32.914  2.6633 8.8570   1.3624  8.4416   1.9840  9.2276   1.8742  31.239  4.1544 32.997  3.6861 -1.758448      5.553936 
1 1 1 23 3  59 o 20.424  4.4975 3.7420   1.4011  6.0039   2.2121  2.2268   1.8105  25.127  5.7413 15.890  5.7082 9.237162       8.096053 
1 1 1 23 3  60 o 11.919  4.7713 0.8596   1.3525  1.8159   2.1472  0.2307   1.7413  15.270  6.0445 11.701  5.0882 3.569782       7.900956 
1 1 1 23 3  61 o 17.699  4.9203 2.9214   1.4145  3.3969   2.2191  2.5960   1.8358  18.470  6.3445 16.615  5.7669 1.855640       8.573828 
1 1 1 23 3  62 o 24.394  4.1139 5.2820   1.5173  6.6308   2.3279  4.2858   2.0006  25.927  5.8647 20.689  5.8870 5.237579       8.309694 
1 1 1 23 3  63 o 27.846  3.5475 6.7042   1.5135  6.6050   2.3487  6.7747   1.9791  25.575  5.9673 26.958  4.8619 -1.383474      7.697197 
1 1 1 23 4  0  o 75.233  2.1491 44.547   2.5300  44.547   2.5300  44.547   2.5300  75.233  2.1491 75.233  2.1491 0.000000       0.000000 
1 1 1 23 4  1  o 61.914  1.6449 30.118   1.5965  30.590   2.2567  29.644   2.2589  62.327  2.3097 61.351  2.3486 0.9758606      3.294040 
1 1 1 23 4  2  o 64.330  1.6041 32.510   1.6177  34.564   2.3484  30.656   2.2316  66.258  2.2609 62.397  2.2814 3.860664       3.211937 
1 1 1 23 4  3  o 31.311  2.6832 7.7886   1.3043  6.9794   1.7877  8.7098   1.9073  29.380  3.9841 32.925  3.7628 -3.544956      5.480103 
1 1 1 23 4  4  o 120.479 1.4271 113.978  2.6954  112.584  3.7971  115.394  3.8267  119.631 2.0247 121.117 2.0154 -1.486031      2.856772 
1 1 1 23 4  5  f 57.294  1.6903 25.795   1.5182  24.208   2.0990  27.536   2.1985  55.431  2.4155 59.123  2.3720 -3.692154      3.385452 
1 1 1 23 4  6  o 49.124  1.9174 18.977   1.4765  19.067   2.1657  18.899   2.0184  49.066  2.8275 48.880  2.6438 0.1861801      3.871002 
1 1 1 23 4  7  o 25.759  3.0380 5.3148   1.2032  8.3959   1.7819  2.7329   1.6311  32.352  3.5729 18.262  5.3521 14.09043       6.435082 
1 1 1 23 4  8  o 92.831  1.4421 67.676   2.0986  69.627   3.0019  65.810   2.9350  94.071  2.0356 91.455  2.0472 2.616600       2.886956 
1 1 1 23 4  9  o 88.821  1.4535 61.959   2.0238  59.224   2.8245  64.844   2.9013  86.751  2.0769 90.780  2.0387 -4.028999      2.910291 
1 1 1 23 4  10 o 62.591  1.6108 30.783   1.5805  32.301   2.2479  29.298   2.2227  64.044  2.2390 60.983  2.3250 3.060806       3.227756 
1 1 1 23 4  11 o 45.599  1.8754 16.353   1.3406  16.915   1.9065  15.802   1.8856  46.227  2.6418 44.665  2.7057 1.562656       3.781517 
1 1 1 23 4  12 o 32.424  2.5245 8.3405   1.2731  8.1039   1.8016  8.5765   1.7992  31.740  3.6897 32.690  3.5687 -0.9501953     5.133126 
1 1 1 23 4  13 o 113.494 1.4252 101.168  2.5357  102.503  3.5867  99.834   3.5853  114.129 2.0047 112.628 2.0306 1.501411       2.853452 
1 1 1 23 4  14 o 23.830  3.2204 4.5763   1.1722  6.2580   1.7021  3.0590   1.6168  27.756  4.0296 19.179  5.2321 8.576742       6.604015 
1 1 1 23 4  15 o 66.162  1.6121 34.403   1.6721  38.668   2.4200  30.506   2.3129  70.063  2.2033 62.206  2.3718 7.857105       3.237289 
1 1 1 23 4  16 o 54.753  1.8341 23.581   1.5743  24.938   2.3214  22.426   2.1422  56.201  2.6348 53.306  2.5635 2.895695       3.676082 
1 1 1 23 4  17 o 49.666  1.7656 19.400   1.3747  18.152   1.9702  20.583   1.9190  47.874  2.6353 51.087  2.3961 -3.213421      3.561711 
1 1 1 23 4  18 o 27.348  2.7827 5.9714   1.1764  7.6064   1.7602  4.6518   1.5814  30.702  3.7340 23.751  4.4096 6.951376       5.778185 
1 1 1 23 4  19 o 45.383  1.9036 16.209   1.3543  17.280   2.0636  15.399   1.7950  46.660  2.8345 44.080  2.6091 2.579903       3.852567 
1 1 1 23 4  20 o 51.568  1.8183 20.923   1.4700  18.442   2.0418  23.593   2.1180  48.229  2.7115 54.672  2.4712 -6.443592      3.668676 
1 1 1 23 4  21 o 47.088  1.8927 17.453   1.3972  18.996   2.1467  16.318   1.8403  48.923  2.8108 45.376  2.5978 3.547905       3.827429 
1 1 1 23 4  22 o 51.995  1.9348 21.286   1.5771  26.745   2.3383  16.730   2.1361  58.184  2.5635 45.859  2.9876 12.32460       3.936640 
1 1 1 23 4  23 o 11.318  4.6152 0.4203   1.2920  -1.3909  1.6916  2.9559   2.0014  9.8656  4.5765 19.044  6.0023 -9.178498      7.548023 
1 1 1 23 4  24 o 24.937  3.5560 5.0465   1.3507  6.2557   1.8289  3.5952   2.0036  27.606  4.3716 20.684  5.8934 6.921511       7.337790 
1 1 1 23 4  25 o 49.726  2.1899 19.502   1.7071  16.358   2.2950  23.395   2.5541  45.261  3.2563 54.233  3.0161 -8.971428      4.438525 
1 1 1 23 4  26 o 91.241  1.5788 65.470   2.2582  66.692   3.2278  64.298   3.1605  91.936  2.2396 90.272  2.2333 1.663551       3.162797 
1 1 1 23 4  27 o 16.910  4.3540 2.3848   1.1611  1.9554   1.6468  2.8093   1.6374  16.013  5.4663 18.373  5.3560 -2.360281      7.652883 
1 1 1 23 4  28 o 23.857  3.2549 4.6068   1.1855  2.6830   1.7367  6.2858   1.6224  18.069  5.5745 27.791  3.8253 -9.722696      6.760778 
1 1 1 23 4  29 o 74.095  1.4944 43.172   1.7359  41.556   2.4858  44.710   2.4251  72.563  2.1852 75.296  2.0545 -2.733383      2.999325 
1 1 1 23 4  30 o 33.878  2.3523 9.1125   1.2415  9.5626   1.7998  8.7039   1.7149  34.482  3.3727 32.883  3.3745 1.599388       4.771005 
1 1 1 23 4  31 o 110.007 1.3977 95.140   2.4103  94.333   3.4814  95.884   3.3405  109.358 2.0307 110.286 1.9321 -0.9281464     2.803004 
1 1 1 23 4  32 o 37.409  2.1313 11.084   1.2447  11.424   1.7089  10.698   1.8167  37.817  2.9047 36.514  3.2062 1.303658       4.326285 
1 1 1 23 4  33 o 86.293  1.4240 58.563   1.9263  56.545   2.6015  61.013   2.8661  84.666  1.9600 87.913  2.0796 -3.246040      2.857736 
1 1 1 23 4  34 o 69.097  1.5466 37.577   1.6753  38.309   2.2410  36.650   2.5224  69.658  2.0522 68.053  2.3643 1.604782       3.130727 
1 1 1 23 4  35 o 35.872  2.2728 10.220   1.2715  9.7934   1.7700  10.675   1.8279  34.868  3.2765 36.427  3.2345 -1.559216      4.604070 
1 1 1 23 4  36 o 38.472  2.1171 11.734   1.2719  10.306   1.6634  13.744   1.9737  35.842  2.9875 41.403  3.0626 -5.560539      4.278425 
1 1 1 23 4  37 o 52.491  1.8092 21.737   1.4888  21.272   2.0220  22.288   2.2002  51.778  2.4911 52.891  2.6620 -1.113243      3.645812 
1 1 1 23 4  38 o 28.825  2.7593 6.6732   1.2316  5.5411   1.6967  7.9342   1.7907  25.771  4.3549 31.163  3.7402 -5.391300      5.740555 
1 1 1 23 4  39 o 74.537  1.5775 43.785   1.8433  41.638   2.4999  46.344   2.7287  72.501  2.1995 76.459  2.2765 -3.958778      3.165467 
1 1 1 23 4  40 o 37.104  2.3678 10.974   1.3701  13.602   1.9350  8.3308   1.9403  41.121  3.0229 31.804  3.9787 9.316977       4.996762 
1 1 1 23 4  41 o 20.966  3.8857 3.6748   1.2301  3.4399   1.7212  3.9200   1.7587  19.905  5.3852 21.246  5.2983 -1.341354      7.554627 
1 1 1 23 4  42 o 49.169  2.0556 19.158   1.5845  18.666   2.0614  19.868   2.4769  48.259  2.7361 49.594  3.2029 -1.335648      4.212458 
1 1 1 23 4  43 o 11.424  4.5826 0.6040   1.2504  -0.4688  1.5874  2.3585   2.0299  10.549  4.7097 17.149  6.0564 -6.599834      7.672144 
1 1 1 23 4  44 o 8.6610  3.9845 -0.8220  1.2441  -1.2838  1.6124  -0.1427  1.9557  9.5182  4.4331 12.207  5.3483 -2.688513      6.946689 
1 1 1 23 4  45 o 42.781  2.1208 14.548   1.4223  13.886   1.9548  15.293   2.0734  41.397  3.0332 43.439  3.0644 -2.041805      4.311761 
1 1 1 23 4  46 o 17.672  4.5889 2.7140   1.2826  3.2943   1.8299  2.1536   1.7982  19.229  5.6782 16.242  5.7036 2.987007       8.048196 
1 1 1 23 4  47 o 34.795  2.6979 9.7891   1.4601  11.704   2.3360  8.5612   1.8705  37.385  4.0507 32.048  3.7969 5.337685       5.551999 
1 1 1 23 4  48 o 26.828  3.3195 5.9542   1.3663  1.8567   2.1375  8.7850   1.7767  15.903  6.1058 32.549  3.5389 -16.64576      7.057279 
1 1 1 23 4  49 o 23.981  3.7562 4.8568   1.3658  7.1693   2.3181  3.6272   1.6903  28.273  5.4273 20.038  5.2995 8.234838       7.585568 
1 1 1 23 4  50 o 21.815  4.1196 4.1039   1.3572  4.2136   2.2479  4.0409   1.7026  21.114  6.3075 21.152  5.1766 -0.3848648E-01 8.159791 
1 1 1 23 4  51 o 12.172  4.7619 0.9236   1.3187  2.5584   2.1586  -0.0497  1.6656  17.185  6.2247 11.236  4.9290 5.949150       7.939868 
1 1 1 23 4  52 o 10.924  4.6307 0.2982   1.3749  0.5055   2.1178  0.1471   1.8076  13.265  5.6885 11.929  5.1858 1.336290       7.697525 
1 1 1 23 4  53 o 14.220  4.9296 1.6943   1.3412  3.6538   2.2744  0.6496   1.6606  19.544  6.4199 12.381  5.1583 7.162498       8.235475 
1 1 1 23 4  54 o 27.361  3.3374 6.2678   1.4018  4.0885   2.2535  7.6436   1.7904  20.521  6.3533 29.914  3.9117 -9.393009      7.460925 
1 1 1 23 4  55 o 11.152  4.6707 0.4457   1.3717  -0.5524  2.0910  1.1996   1.8173  11.649  5.2849 13.734  5.5191 -2.085146      7.641323 
1 1 1 23 4  56 o 25.661  3.4782 5.5708   1.3631  4.8363   1.9200  6.3173   1.9356  22.727  5.4577 26.513  4.8353 -3.785889      7.291552 
1 1 1 23 4  57 o 18.513  4.4650 3.0840   1.2808  4.3689   1.7714  1.6765   1.8541  21.632  5.2718 14.684  5.6735 6.948565       7.744721 
1 1 1 23 4  58 o 27.997  3.2371 6.5872   1.3946  8.6893   2.0771  4.8618   1.8818  31.429  4.3307 22.706  5.3707 8.722584       6.899218 
1 1 1 23 4  59 o 14.692  4.9484 1.9315   1.3494  0.6420   1.9702  3.0710   1.8520  12.838  5.4955 17.815  5.7904 -4.976679      7.983061 
1 1 1 23 4  60 o 9.2643  4.2731 -0.7317  1.4440  2.7238   2.3912  -2.7150  1.8116  16.938  6.4688 8.5031  4.1503 8.435379       7.685718 
1 1 1 23 4  61 o 29.912  3.4359 7.6743   1.5819  7.8309   2.5364  7.5747   2.0238  27.973  5.9659 28.748  4.6492 -0.7752094     7.563533 
1 1 1 23 5  0  o 99.708  1.9133 78.134   2.9882  78.134   2.9882  78.134   2.9882  99.708  1.9133 99.708  1.9133 0.000000       0.000000 
1 1 1 23 5  1  o 23.286  3.2712 4.3784   1.1612  2.8695   1.7393  5.5919   1.5597  18.681  5.5407 26.229  3.9130 -7.547312      6.783154 
1 1 1 23 5  2  o 25.973  2.8609 5.3954   1.1455  3.6351   1.6246  7.1361   1.6155  20.857  5.0274 29.781  3.5290 -8.923412      6.142364 
1 1 1 23 5  3  o 31.427  2.4885 7.8396   1.2160  7.3053   1.7729  8.3142   1.6710  30.064  3.8502 32.211  3.3586 -2.147604      5.109269 
1 1 1 23 5  4  o 69.111  1.5861 37.538   1.7184  37.381   2.6708  37.648   2.2448  68.838  2.4749 69.149  2.0708 -0.3114929     3.226966 
1 1 1 23 5  5  o 75.524  1.4675 44.811   1.7374  44.825   2.5445  44.799   2.3782  75.438  2.1516 75.439  2.0109 -0.1335144E-02 2.944992 
1 1 1 23 5  6  o 69.620  1.5150 38.085   1.6535  39.288   2.4534  37.083   2.2383  70.614  2.2162 68.625  2.0806 1.989098       3.039832 
1 1 1 23 5  7  o 65.095  1.6316 33.308   1.6650  32.706   2.3466  33.919   2.3628  64.409  2.3240 65.597  2.2977 -1.188057      3.268075 
1 1 1 23 5  8  o 61.970  1.5991 30.185   1.5535  31.256   2.3036  29.292   2.1039  62.962  2.3339 60.971  2.2012 1.991009       3.208145 
1 1 1 23 5  9  o 124.399 1.3886 121.556  2.7079  122.382  3.9865  120.848  3.6898  124.669 2.0397 123.923 1.8993 0.7466278      2.787120 
1 1 1 23 5  10 o 71.532  1.5172 40.210   1.7014  39.581   2.4809  40.768   2.3377  70.865  2.2332 71.948  2.0726 -1.082100      3.046757 
1 1 1 23 5  11 o 61.394  1.6046 29.630   1.5444  27.996   2.2292  31.139   2.1417  59.573  2.3869 62.862  2.1733 -3.289330      3.228085 
1 1 1 23 5  12 o 64.763  1.5554 32.967   1.5792  33.090   2.3080  32.859   2.1654  64.783  2.2726 64.578  2.1390 0.2047043      3.120897 
1 1 1 23 5  13 o 101.643 1.3976 81.163   2.2269  83.508   3.2972  79.196   3.0197  102.969 2.0426 100.303 1.9204 2.665817       2.803604 
1 1 1 23 5  14 o 48.525  1.7724 18.525   1.3483  21.303   1.9514  15.988   1.8650  51.957  2.3958 44.900  2.6615 7.057228       3.580997 
1 1 1 23 5  15 o 97.719  1.6176 75.082   2.4780  77.389   3.5255  72.830   3.4836  99.058  2.2703 96.085  2.3127 2.973259       3.240807 
1 1 1 23 5  16 o 23.762  3.4745 4.5810   1.2560  5.0284   1.6747  4.0058   1.8989  24.667  4.4964 21.791  5.5452 2.876902       7.139100 
1 1 1 23 5  17 o 13.933  4.6472 1.4868   1.1901  2.7149   1.6106  0.0098   1.7662  18.115  5.3208 12.149  5.2019 5.966689       7.441184 
1 1 1 23 5  18 o 68.826  1.8016 37.283   1.9439  34.991   2.5882  40.249   2.9443  66.555  2.4806 71.346  2.6325 -4.790497      3.617095 
1 1 1 23 5  19 o 42.454  2.2250 14.256   1.4756  12.975   1.9120  16.143   2.3206  40.333  3.0463 44.946  3.3169 -4.612492      4.503556 
1 1 1 23 5  20 o 36.156  2.3424 10.363   1.3206  12.178   1.8349  8.4133   1.9020  39.070  3.0193 32.237  3.8391 6.833477       4.884148 
1 1 1 23 5  21 o 60.311  1.6597 28.617   1.5692  28.303   2.1831  28.953   2.2570  59.873  2.3259 60.546  2.3779 -0.6731682     3.326288 
1 1 1 23 5  22 o 53.470  1.7076 22.500   1.4314  20.544   2.0234  24.459   2.0253  50.972  2.5321 55.656  2.3212 -4.683712      3.435091 
1 1 1 23 5  23 o 34.283  2.3419 9.3254   1.2511  8.5039   1.6614  10.401   1.9014  32.530  3.3038 35.982  3.4116 -3.451744      4.749069 
1 1 1 23 5  24 o 18.999  3.8017 2.9852   1.0927  1.5250   1.4291  5.0406   1.6955  14.461  5.0844 24.634  4.5585 -10.17302      6.828669 
1 1 1 23 5  25 o 72.994  1.5345 41.908   1.7559  42.773   2.3596  40.835   2.6284  73.645  2.0439 71.891  2.3322 1.754089       3.101032 
1 1 1 23 5  26 o 19.888  3.7866 3.2666   1.1375  2.5435   1.5298  4.1607   1.7010  17.506  5.1974 22.211  5.0053 -4.704716      7.215647 
1 1 1 23 5  27 o 44.066  1.9428 15.310   1.3421  15.673   1.8156  14.873   1.9928  44.405  2.6198 43.170  2.9625 1.234856       3.954742 
1 1 1 23 5  28 o 31.797  2.5250 8.0544   1.2483  8.1652   1.6671  7.9130   1.8833  31.813  3.3952 31.159  3.9437 0.6537800      5.203885 
1 1 1 23 5  29 o 51.857  1.7715 21.188   1.4401  22.736   1.9644  19.389   2.1174  53.616  2.3372 49.354  2.7476 4.261322       3.607166 
1 1 1 23 5  30 o 40.717  2.0524 13.121   1.3058  13.085   1.7413  13.167   1.9739  40.505  2.7588 40.532  3.1309 -0.2691269E-01 4.172911 
1 1 1 23 5  31 o 55.020  1.7190 23.853   1.4827  27.537   2.1889  20.730   2.0155  58.979  2.3674 51.140  2.5140 7.838867       3.453227 
1 1 1 23 5  32 o 45.264  1.8410 16.160   1.3063  17.051   1.8265  15.227   1.8692  46.302  2.5258 43.690  2.7430 2.612419       3.728764 
1 1 1 23 5  33 o 43.776  1.9457 15.130   1.3353  13.083   1.7766  17.788   2.0242  40.452  2.8192 47.220  2.7464 -6.768391      3.935812 
1 1 1 23 5  34 o 30.160  2.4895 7.2663   1.1665  5.8718   1.6322  8.7224   1.6679  26.669  4.0297 32.851  3.2825 -6.182501      5.197492 
1 1 1 23 5  35 o 32.739  2.4850 8.5576   1.2659  5.7958   1.8333  11.074   1.7500  26.269  4.6205 37.112  3.0345 -10.84259      5.527834 
1 1 1 23 5  36 o 72.467  1.5910 41.393   1.8075  44.787   2.8204  39.029   2.3545  75.113  2.3952 70.208  2.1392 4.905304       3.211450 
1 1 1 23 5  37 o 36.275  2.3471 10.488   1.3275  8.2485   1.9487  12.428   1.8135  31.625  4.0215 39.314  2.9643 -7.688902      4.995997 
1 1 1 23 5  38 o 34.499  2.4708 9.5151   1.3274  9.3144   2.0236  9.6668   1.7587  33.646  3.9093 34.518  3.2899 -0.8719826     5.109409 
1 1 1 23 5  39 o 32.670  2.6686 8.5740   1.3548  5.3196   2.2234  10.496   1.7086  24.538  5.8605 36.040  3.0529 -11.50182      6.607984 
1 1 1 23 5  40 o 36.319  2.3716 10.541   1.3429  6.3531   1.9821  14.095   1.8258  27.286  4.8095 41.871  2.7976 -14.58450      5.563998 
1 1 1 23 5  41 o 39.115  2.3539 12.227   1.4367  11.189   2.0428  13.244   2.0209  36.952  3.5710 40.385  3.2187 -3.433418      4.807538 
1 1 1 23 5  42 o 24.995  3.4016 5.1532   1.2983  5.2150   1.9115  5.1004   1.7688  24.430  5.1531 24.303  4.8131 0.1275482      7.051280 
1 1 1 23 5  43 o 16.007  4.6843 2.2048   1.2503  2.6773   1.8610  1.8160   1.6881  17.625  5.8081 15.286  5.5096 2.339183       8.005583 
1 1 1 23 5  44 o 16.717  4.6725 2.4311   1.2720  3.1459   1.8609  1.8042   1.7428  18.786  5.7663 15.291  5.5847 3.494923       8.027447 
1 1 1 23 5  45 o 12.531  4.6266 1.1252   1.2009  1.7428   1.6464  0.4232   1.7553  14.951  5.4332 12.408  5.2446 2.543087       7.551495 
1 1 1 23 5  46 o 33.291  2.7759 9.0068   1.4355  7.1236   1.8642  11.751   2.2501  28.900  4.2407 37.453  3.8890 -8.553064      5.753956 
1 1 1 23 5  47 o 40.887  2.4105 13.464   1.5382  12.334   1.9795  15.187   2.4439  38.680  3.2960 42.692  3.6878 -4.012035      4.946084 
1 1 1 23 5  48 o 26.323  3.5709 5.8192   1.4355  7.9641   1.9136  3.0589   2.1708  30.560  4.0975 18.332  6.2759 12.22843       7.495074 
1 1 1 23 5  49 o 26.938  3.4415 6.0763   1.4201  6.1959   1.8573  5.9079   2.2036  26.559  4.6290 25.248  5.7021 1.311544       7.344518 
1 1 1 23 5  50 o 18.717  4.7188 3.1456   1.3842  4.3449   1.7776  1.2978   2.2064  21.766  5.2667 14.704  6.0176 7.061688       7.996850 
1 1 1 23 5  51 o 14.945  5.0233 1.9375   1.3905  0.5298   1.7911  4.0733   2.2062  12.467  5.2852 20.524  6.2750 -8.057112      8.204168 
1 1 1 23 5  52 f 30.608  3.2165 7.8019   1.5203  9.8325   1.9599  4.7343   2.4090  34.066  3.7310 21.872  6.5285 12.19417       7.519402 
1 1 1 23 5  53 o 19.593  4.9108 3.5080   1.5054  4.5276   2.1772  2.5739   2.0838  21.564  6.1433 16.918  6.1178 4.645819       8.669902 
1 1 1 23 5  54 o 10.784  4.5969 0.2836   1.3681  0.2715   2.0552  0.2932   1.8333  12.610  5.5047 12.100  5.2413 0.5092459      7.600884 
1 1 1 23 5  55 o 30.274  3.1725 7.6586   1.4833  7.3659   2.2508  7.8832   1.9721  28.239  5.2784 29.965  4.3233 -1.725481      6.822929 
1 1 1 23 5  56 o 26.137  4.0952 5.9805   1.6229  7.7430   2.8802  5.1607   1.9644  27.531  6.7300 23.315  5.4689 4.215874       8.671855 
1 1 1 23 5  57 o 10.679  4.7086 -0.0099  1.5377  2.0376   2.6198  -1.0861  1.8993  16.039  6.5597 10.323  4.8092 5.715291       8.133781 
1 1 1 23 5  58 o 12.336  5.0662 0.8849   1.5707  3.4112   2.4128  -0.9729  2.0691  18.284  6.5874 10.865  5.0474 7.419738       8.298764 
1 1 1 23 5  59 o 20.834  4.9603 4.1209   1.5968  5.4186   2.2432  2.7879   2.2734  22.950  6.1220 16.842  6.3364 6.107388       8.810752 
1 1 1 23 5  60 o 8.9494  4.1871 -0.9564  1.4648  0.9901   2.1711  -2.5827  1.9845  13.420  5.7575 9.0326  4.3943 4.387585       7.242821 
1 1 1 23 6  0  o 27.076  4.2783 6.2052   1.6804  6.2052   1.6804  6.2052   1.6804  27.076  4.2783 27.076  4.2783 0.000000       0.000000 
1 1 1 23 6  1  o 30.384  2.5000 7.3401   1.1802  6.1714   1.6126  8.6884   1.7321  27.562  3.8361 32.891  3.4087 -5.328987      5.131744 
1 1 1 23 6  2  o 76.228  1.5018 45.672   1.7947  47.241   2.4691  43.915   2.6132  77.436  2.0339 74.622  2.2339 2.814003       3.021084 
1 1 1 23 6  3  o 42.731  1.9182 14.377   1.2850  13.907   1.7817  14.886   1.8550  41.844  2.7311 43.294  2.7474 -1.450108      3.873858 
1 1 1 23 6  4  o 94.692  1.4868 70.475   2.2071  69.077   3.3878  71.506   2.9092  93.568  2.3096 95.289  1.9475 -1.720772      3.021113 
1 1 1 23 6  5  o 33.946  2.3924 9.1410   1.2650  9.0658   1.8444  9.2078   1.7383  33.566  3.5594 33.888  3.3144 -0.3221474     4.863589 
1 1 1 23 6  6  o 31.376  2.4544 7.8212   1.1977  8.8283   1.7164  6.8656   1.6720  33.167  3.3468 29.113  3.7506 4.053930       5.026740 
1 1 1 23 6  7  o 19.229  4.2827 3.0768   1.2579  2.3773   1.5522  4.4154   2.1470  17.090  5.2697 22.812  5.9438 -5.722200      7.943460 
1 1 1 23 6  8  o 46.238  2.0529 16.848   1.4880  16.074   1.9957  17.817   2.2331  44.966  2.8458 47.308  3.0269 -2.341850      4.154577 
1 1 1 23 6  9  o 61.601  1.7789 29.865   1.7179  31.657   2.3529  27.820   2.5139  63.323  2.3703 59.298  2.7043 4.025269       3.596004 
1 1 1 23 6  10 o 91.921  1.7085 66.480   2.4620  64.185   3.2105  69.757   3.8358  90.190  2.2707 93.924  2.6051 -3.734367      3.455835 
1 1 1 23 6  11 o 20.755  4.5158 3.5939   1.4275  4.5881   1.8130  1.9720   2.3157  23.375  5.0918 17.214  6.4109 6.160801       8.186950 
1 1 1 23 6  12 o 22.962  3.8642 4.3229   1.3416  4.4600   1.7992  4.1512   2.0134  23.032  5.1161 22.124  5.7517 0.9077263      7.697855 
1 1 1 23 6  13 f 48.699  2.0706 18.696   1.5808  19.469   2.0529  17.571   2.4776  49.535  2.6532 46.867  3.3952 2.667641       4.308928 
1 1 1 23 6  14 o 35.153  2.7783 9.8469   1.5186  9.4956   2.0544  10.270   2.2546  34.246  3.8961 35.567  4.1200 -1.320690      5.670420 
1 1 1 23 6  15 o 60.073  1.8939 28.427   1.7835  30.811   2.3463  25.164   2.7449  62.449  2.3967 56.198  3.1281 6.251118       3.940707 
1 1 1 23 6  16 o 68.052  1.6403 36.436   1.7499  33.965   2.2190  40.502   2.8460  65.613  2.1573 71.561  2.5369 -5.947685      3.330140 
1 1 1 23 6  17 o 85.119  1.5258 56.980   2.0360  54.269   2.5900  61.364   3.2940  82.974  1.9912 88.124  2.3844 -5.149940      3.106465 
1 1 1 23 6  18 o 55.589  1.8631 24.344   1.6236  25.581   2.1691  22.767   2.4485  56.884  2.4324 53.485  2.9314 3.398766       3.809180 
1 1 1 23 6  19 o 73.882  1.6053 42.948   1.8593  42.654   2.5936  43.259   2.6667  73.494  2.2512 74.001  2.2987 -0.5071106     3.217396 
1 1 1 23 6  20 o 42.486  2.0981 14.242   1.3974  12.210   1.9274  16.494   2.0289  39.050  3.1760 45.507  2.8586 -6.456978      4.273034 
1 1 1 23 6  21 o 43.937  2.0226 15.227   1.3932  16.251   1.9910  14.244   1.9501  45.172  2.8258 42.245  2.9634 2.927567       4.094697 
1 1 1 23 6  22 o 23.568  3.3654 4.5155   1.2081  3.2015   1.6344  6.0982   1.7937  19.458  5.2407 27.181  4.3568 -7.722635      6.815187 
1 1 1 23 6  23 o 45.722  1.9999 16.491   1.4335  17.011   2.0198  15.963   2.0347  46.214  2.8012 44.732  2.9175 1.481857       4.044571 
1 1 1 23 6  24 o 59.431  1.7586 27.827   1.6385  27.675   2.2711  27.991   2.3661  59.127  2.4502 59.442  2.5392 -0.3146973     3.528575 
1 1 1 23 6  25 f 62.052  1.7333 30.336   1.6861  32.122   2.3942  28.577   2.3749  63.706  2.3973 60.057  2.5225 3.649281       3.479988 
1 1 1 23 6  26 o 37.353  2.3052 11.079   1.3433  11.156   1.8570  10.995   1.9455  37.261  3.2105 36.934  3.3982 0.3264618      4.674931 
1 1 1 23 6  27 o 14.035  4.6156 1.5511   1.1755  -2.3662  1.5749  6.4776   1.7662  8.3232  4.0169 28.043  4.1422 -19.71929      5.770041 
1 1 1 23 6  28 o 55.130  1.8010 23.968   1.5565  25.448   2.1981  22.479   2.2044  56.655  2.4749 53.205  2.6430 3.450001       3.620821 
1 1 1 23 6  29 o 35.556  2.4435 10.070   1.3537  9.6243   1.9158  10.514   1.9131  34.437  3.6021 36.064  3.4249 -1.627636      4.970408 
1 1 1 23 6  30 o 48.298  1.9850 18.430   1.5029  16.336   2.1162  20.560   2.1348  45.148  3.0072 50.778  2.6914 -5.630329      4.035723 
1 1 1 23 6  31 o 60.867  1.9002 29.259   1.8131  32.612   2.7851  26.794   2.3886  63.986  2.7766 58.047  2.6248 5.938740       3.820873 
1 1 1 23 6  32 o 115.118 1.5592 104.428  2.8138  102.046  4.0480  106.655  3.9141  113.457 2.2759 116.061 2.1513 -2.603203      3.131703 
1 1 1 23 6  33 o 39.571  2.3808 12.476   1.4701  12.755   1.9828  12.137   2.1906  39.752  3.2092 38.602  3.6639 1.150021       4.870591 
1 1 1 23 6  34 o 37.062  2.3612 10.953   1.3647  11.052   1.8872  10.846   1.9759  36.936  3.2938 36.513  3.4945 0.4224243      4.802159 
1 1 1 23 6  35 o 13.013  4.6231 1.2486   1.1845  0.4060   1.6592  2.1241   1.6914  12.301  5.1430 16.245  5.5398 -3.944613      7.559093 
1 1 1 23 6  36 o 55.951  1.7727 24.743   1.5549  26.185   2.1796  23.248   2.2189  57.353  2.4242 53.971  2.6226 3.381836       3.571343 
1 1 1 23 6  37 o 46.680  1.9604 17.263   1.4346  15.886   1.9365  18.939   2.1358  44.456  2.7928 48.543  2.8187 -4.087154      3.967973 
1 1 1 23 6  38 o 36.147  2.4140 10.461   1.3601  12.194   1.8837  8.5736   1.9658  38.774  3.1255 32.119  3.9901 6.654804       5.068481 
1 1 1 23 6  39 o 21.346  3.8131 3.8298   1.2292  4.5077   1.7355  3.1475   1.7412  22.730  5.0060 18.901  5.5269 3.829079       7.457019 
1 1 1 23 6  40 o 32.421  2.6095 8.4738   1.3151  8.5889   1.8057  8.3437   1.9190  32.232  3.6372 31.616  3.9587 0.6164188      5.375880 
1 1 1 23 6  41 o 15.530  4.6025 2.0742   1.2004  1.5325   1.7342  2.5726   1.6634  14.643  5.5286 17.196  5.4776 -2.553689      7.782672 
1 1 1 23 6  42 o 16.477  4.4800 2.3630   1.1877  2.2502   1.6893  2.4733   1.6702  16.294  5.5364 16.876  5.4994 -0.5816746     7.803536 
1 1 1 23 6  43 o 17.600  4.2907 2.6975   1.1731  2.4725   1.6290  2.9398   1.6908  16.801  5.4280 18.111  5.4838 -1.310377      7.715940 
1 1 1 23 6  44 o 29.395  2.9901 7.0872   1.3587  7.5384   1.9475  6.6593   1.8966  29.652  4.3161 27.729  4.5185 1.922918       6.248652 
1 1 1 23 6  45 o 16.846  4.7000 2.5182   1.2882  4.3357   1.8467  0.7954   1.7980  21.767  5.4298 13.070  5.3997 8.697160       7.657677 
1 1 1 23 6  46 o 20.790  4.1723 3.7613   1.3126  6.3100   1.9385  1.6036   1.7836  26.704  4.8075 14.642  5.5880 12.06120       7.371481 
1 1 1 23 6  47 o 30.812  3.0168 7.8283   1.4385  7.6084   2.1723  8.0001   1.9198  29.250  4.9116 30.531  4.1160 -1.280828      6.408164 
1 1 1 23 6  48 o 44.575  2.1512 15.932   1.5032  14.996   2.1126  16.892   2.1395  42.577  3.1882 45.314  3.0292 -2.737244      4.397850 
1 1 1 23 6  49 o 28.490  3.0910 6.7394   1.3584  7.8795   1.8983  5.5430   1.9445  30.217  4.1144 24.598  5.2051 5.618595       6.634844 
1 1 1 23 6  50 o 20.391  4.4384 3.7070   1.3785  3.6536   1.9928  3.7559   1.9089  19.508  5.9637 19.843  5.7825 -0.3352013     8.306817 
1 1 1 23 6  51 o 7.8000  3.7709 -1.9523  1.4031  -2.3620  1.8610  -1.4127  2.1357  9.0501  4.3673 10.769  5.0439 -1.718732      6.671892 
1 1 1 23 6  52 o 9.2262  4.2383 -0.7129  1.4008  -1.0809  1.9076  -0.2824  2.0636  10.437  4.8481 11.837  5.3210 -1.399427      7.198407 
1 1 1 23 6  53 o 16.799  5.3218 2.6274   1.5718  2.4354   1.9178  3.0204   2.7432  16.361  5.8751 17.936  6.9093 -1.575766      9.069457 
1 1 1 23 6  54 o 8.1630  3.8921 -1.4803  1.3817  -0.7560  1.8039  -2.5086  2.1492  10.448  4.8034 9.7403  4.6986 0.7081099      6.719391 
1 1 1 23 6  55 o 19.671  5.2958 3.7044   1.6694  5.9843   2.4279  1.6603   2.2990  24.251  6.3216 15.013  6.1432 9.238380       8.814844 
1 1 1 23 6  56 o 15.124  5.2656 2.1002   1.5310  2.4884   2.4017  1.8345   1.9872  16.437  6.4275 14.860  5.8361 1.577251       8.681740 
1 1 1 23 6  57 o 17.401  5.1839 2.9350   1.5200  2.4022   2.2980  3.3494   2.0266  16.066  6.2859 18.087  6.0644 -2.021112      8.734364 
1 1 1 23 6  58 o 24.226  4.1509 5.3084   1.5197  5.2593   2.2374  5.3504   2.0707  22.289  6.1852 22.918  5.7680 -0.6292057     8.457334 
1 1 1 23 7  0  o 81.028  4.0044 52.305   5.0583  52.305   5.0583  52.305   5.0583  81.028  4.0044 81.028  4.0044 0.000000       0.000000 
1 1 1 23 7  1  o 60.783  3.5899 29.590   3.4055  33.322   6.0701  27.875   4.1140  63.232  6.2034 58.630  4.5106 4.602715       7.669951 
1 1 1 23 7  2  o 41.573  3.9428 13.963   2.5389  14.671   5.2482  13.747   2.9009  40.606  8.5165 41.033  4.5882 -0.4269905     9.673766 
1 1 1 23 7  3  o 34.548  4.2659 9.7320   2.2613  9.9572   4.7879  9.6673   2.5655  33.171  8.9850 34.216  4.9247 -1.045582      10.24616 
1 1 1 23 7  4  o 35.310  3.2159 9.9962   1.7606  12.653   3.2697  8.9115   2.0894  39.006  5.4999 33.081  4.1180 5.924343       6.870710 
1 1 1 23 7  5  o 78.601  1.7205 48.634   2.1200  49.671   3.0636  47.681   2.9367  79.257  2.4657 77.668  2.4119 1.589401       3.449174 
1 1 1 23 7  6  o 90.562  1.6918 64.553   2.4018  63.804   3.4096  65.290   3.3840  89.841  2.4209 90.895  2.3749 -1.054649      3.391262 
1 1 1 23 7  7  o 33.610  2.7025 9.0049   1.4119  9.5414   1.9463  8.4089   2.0514  34.370  3.6689 32.099  4.1754 2.270588       5.558359 
1 1 1 23 7  8  o 13.121  4.7692 1.1702   1.2688  1.1687   1.7327  1.1720   1.8630  14.255  5.4911 14.580  5.6721 -0.3254156     7.894643 
1 1 1 23 7  9  o 76.105  1.6047 45.573   1.9145  46.368   2.7338  44.808   2.6820  76.619  2.2760 75.320  2.2714 1.298332       3.215513 
1 1 1 23 7  10 o 23.255  3.6314 4.4192   1.2806  5.2853   1.8198  3.5696   1.8024  25.158  4.7893 20.521  5.4936 4.636114       7.288147 
1 1 1 23 7  11 o 89.309  1.5221 62.738   2.1311  61.877   2.9932  63.623   3.0347  88.538  2.1565 89.779  2.1562 -1.240585      3.049578 
1 1 1 23 7  12 o 71.995  1.6164 40.791   1.8244  41.263   2.5774  40.317   2.5827  72.269  2.2750 71.428  2.3065 0.8410416      3.239681 
1 1 1 23 7  13 o 24.047  3.3062 4.6908   1.2134  4.7827   1.6609  4.5856   1.7770  23.945  4.5915 23.325  5.0093 0.6201038      6.795241 
1 1 1 23 7  14 o 38.942  2.1274 12.006   1.2938  12.172   1.7424  11.802   1.9318  39.055  2.8658 38.357  3.2430 0.6982460      4.327844 
1 1 1 23 7  15 o 42.051  2.0450 13.953   1.3481  13.898   1.8396  14.016   1.9812  41.751  2.8273 41.874  3.0387 -0.1231194     4.150636 
1 1 1 23 7  16 o 14.823  4.5131 1.7934   1.1429  3.1345   1.5877  0.3513   1.6464  19.250  5.1573 12.307  5.1325 6.943284       7.275965 
1 1 1 23 7  17 o 44.673  2.0518 15.751   1.4369  17.314   2.0390  14.210   2.0252  46.616  2.8032 42.140  3.0872 4.476749       4.169977 
1 1 1 23 7  18 o 52.118  1.7829 21.405   1.4567  21.788   1.9607  20.933   2.1763  52.472  2.3836 51.292  2.7163 1.180180       3.613835 
1 1 1 23 7  19 o 54.693  1.7304 23.567   1.4837  24.269   2.0076  22.723   2.2024  55.390  2.3120 53.526  2.6247 1.863522       3.497770 
1 1 1 23 7  20 o 63.265  1.6387 31.521   1.6252  31.156   2.1835  31.974   2.4337  62.776  2.2188 63.536  2.4433 -0.7604256     3.300451 
1 1 1 23 7  21 o 72.299  1.5373 41.146   1.7423  37.353   2.2948  46.310   2.6773  68.752  2.1291 76.522  2.2318 -7.769913      3.084482 
1 1 1 23 7  22 f 33.504  2.5422 8.9528   1.3253  9.6440   1.8661  8.2494   1.8825  34.525  3.4960 31.795  3.8557 2.729580       5.204657 
1 1 1 23 7  23 o 55.458  1.7742 24.252   1.5425  23.961   2.1314  24.571   2.2352  54.971  2.4733 55.643  2.5624 -0.6724701     3.561285 
1 1 1 23 7  24 o 64.873  1.7727 33.190   1.8028  32.951   2.3978  33.502   2.7344  64.483  2.3719 64.920  2.6868 -0.4368744     3.583993 
1 1 1 23 7  25 o 13.919  4.6533 1.5157   1.1931  1.5195   1.6951  1.5119   1.6797  14.859  5.4947 14.809  5.4710 0.4923820E-01  7.753913 
1 1 1 23 7  26 o 39.212  2.2364 12.216   1.3691  11.805   1.9015  12.659   1.9727  38.278  3.1982 39.645  3.2014 -1.366978      4.525192 
1 1 1 23 7  27 o 33.348  2.5439 8.8880   1.3199  8.2642   1.8387  9.5511   1.8959  31.788  3.7627 34.265  3.5825 -2.477432      5.195433 
1 1 1 23 7  28 o 72.414  1.6501 41.353   1.8732  40.352   2.6025  42.429   2.6982  71.318  2.3278 73.120  2.3539 -1.802391      3.310515 
1 1 1 23 7  29 o 17.511  4.2750 2.6008   1.1634  2.4545   1.6208  2.7562   1.6708  17.119  5.4022 17.995  5.4519 -0.8760395     7.675079 
1 1 1 23 7  30 o 24.832  3.3498 5.0463   1.2708  6.9918   1.7848  3.0461   1.8097  29.058  4.0262 18.814  5.6682 10.24361       6.952655 
1 1 1 23 7  31 o 60.434  1.8208 28.868   1.7250  27.798   2.4729  29.883   2.4075  59.020  2.6727 61.259  2.5069 -2.238914      3.664431 
1 1 1 23 7  32 o 13.589  4.6961 1.4253   1.2167  2.2079   1.6920  0.5874   1.7508  16.435  5.5411 12.883  5.3260 3.552141       7.685679 
1 1 1 23 7  33 o 58.336  1.8622 26.931   1.7030  27.382   2.3029  26.386   2.5298  58.597  2.5069 57.394  2.8117 1.202549       3.767027 
1 1 1 23 7  34 o 55.345  1.8864 24.257   1.6366  23.499   2.1560  25.289   2.5142  54.249  2.5351 56.066  2.8702 -1.816528      3.829475 
1 1 1 23 7  35 o 17.200  4.4444 2.5480   1.2070  4.1347   1.7030  0.9463   1.7109  21.735  5.0879 13.410  5.3671 8.324295       7.395438 
1 1 1 23 7  36 o 43.487  2.2420 15.100   1.5232  15.313   2.0427  14.833   2.2861  43.475  3.0158 42.571  3.4554 0.9040718      4.586371 
1 1 1 23 7  37 o 29.705  2.9616 7.1847   1.3608  8.4582   1.8884  5.8092   1.9626  31.862  3.8594 25.790  5.0350 6.072119       6.344005 
1 1 1 23 7  38 o 29.668  2.9475 7.1755   1.3527  5.8018   1.8162  8.8871   2.0273  25.921  4.6398 32.522  4.0652 -6.601082      6.168791 
1 1 1 23 7  39 o 17.325  4.5907 2.6289   1.2669  4.2418   1.7303  0.7656   1.8599  21.818  5.1429 13.281  5.4898 8.537042       7.522510 
1 1 1 23 7  40 f 19.483  4.6014 3.3386   1.3830  2.5433   1.7828  4.5402   2.1914  17.045  5.6881 22.072  6.1200 -5.026873      8.355132 
1 1 1 23 7  41 o 9.3859  4.1848 -0.3164  1.2486  -1.3609  1.6310  1.1625   1.9407  9.3707  4.3950 14.106  5.6911 -4.735178      7.190604 
1 1 1 23 7  42 o 28.270  3.2250 6.6238   1.4037  4.7413   1.8693  9.0579   2.1256  22.825  5.3220 32.497  4.2761 -9.672125      6.827113 
1 1 1 23 7  43 o 10.055  4.3736 -0.0020  1.2872  0.2397   1.7381  -0.2954  1.9154  11.892  5.1273 11.582  5.1721 0.3100786      7.282880 
1 1 1 23 7  44 o 44.619  2.3010 16.043   1.6040  15.942   2.1607  16.166   2.3940  43.957  3.1567 44.018  3.4981 -0.6153870E-01 4.711838 
1 1 1 23 7  45 o 43.457  2.3448 15.252   1.5915  16.760   2.1466  13.411   2.3717  45.108  3.0536 39.764  3.8529 5.344112       4.916265 
1 1 1 23 7  46 o 26.698  4.1073 6.1764   1.6639  4.1783   2.4045  8.0125   2.3050  20.550  6.5899 29.742  5.1289 -9.191547      8.350644 
1 1 1 23 7  47 o 19.211  4.8464 3.3697   1.4595  6.0951   1.9945  0.2282   2.1414  25.833  5.1059 12.763  5.5940 13.07038       7.573854 
1 1 1 23 7  48 o 28.802  3.6000 7.0477   1.5900  8.1012   2.1290  5.7191   2.3908  30.177  4.6496 24.085  6.2706 6.091614       7.806393 
1 1 1 23 7  49 o 10.990  4.7043 0.2859   1.4436  -1.2975  1.9452  2.2274   2.1540  10.306  4.8229 16.123  6.1438 -5.816914      7.810619 
1 1 1 23 7  50 o 10.966  4.7235 0.2396   1.4722  -0.9625  1.9415  1.8660   2.2583  10.642  4.9247 15.489  6.1773 -4.847089      7.900108 
1 1 1 23 7  51 o 11.993  4.7661 0.9169   1.3400  -0.0977  1.8876  1.9476   1.9025  11.555  5.1491 15.199  5.7782 -3.643674      7.739594 
1 1 1 23 7  52 o 10.507  4.5423 0.1847   1.3715  0.0960   1.9674  0.2687   1.9128  11.985  5.3031 12.106  5.2970 -0.1208706     7.495381 
1 1 1 23 7  53 o 28.342  3.4968 6.8822   1.5207  7.5279   2.3480  6.4156   1.9959  27.993  5.5466 26.220  5.0388 1.773825       7.493620 
1 1 1 23 7  54 o 32.105  3.0854 8.6822   1.5337  7.8278   2.3048  9.3612   2.0547  28.633  5.3308 32.501  4.1258 -3.868000      6.740925 
1 1 1 23 7  55 o 8.8698  4.1972 -1.2813  1.5475  0.5309   2.1695  -3.1583  2.2079  12.797  5.6193 9.2671  4.5356 3.530043       7.221358 
1 1 1 23 7  56 o 21.812  4.6770 4.4931   1.5512  5.7883   2.2056  3.2254   2.1821  23.597  5.9606 17.456  6.2671 6.140327       8.649013 
1 1 1 23 8  0  f 11.508  6.5386 1.4130   1.8329  1.4130   1.8329  1.4130   1.8329  11.508  6.5386 11.508  6.5386 0.000000       0.000000 
1 1 1 23 8  1  o 24.994  3.5802 5.0952   1.3628  4.0212   2.0135  6.0030   1.8512  21.669  5.8088 26.880  4.5557 -5.211441      7.382172 
1 1 1 23 8  2  o 15.661  4.6396 2.0260   1.2200  1.0612   1.7085  3.0299   1.7428  13.921  5.4273 18.962  5.5251 -5.040910      7.744817 
1 1 1 23 8  3  o 61.577  1.8218 29.885   1.7586  26.049   2.5005  33.640   2.4738  57.278  2.7847 65.194  2.4205 -7.915199      3.689589 
1 1 1 23 8  4  o 35.687  2.5185 10.137   1.3999  9.1412   1.7968  11.675   2.2332  33.649  3.4552 37.961  3.8038 -4.312138      5.138813 
1 1 1 23 8  5  f 9.7388  4.2754 -0.2587  1.2553  0.0853   1.6167  -0.7807  1.9917  11.710  4.9946 11.645  5.2318 0.6548023E-01  7.233139 
1 1 1 23 8  6  o 24.205  3.6057 4.7883   1.3264  5.4784   1.6550  3.5489   2.2180  25.738  4.2500 20.489  6.2964 5.248556       7.596527 
1 1 1 23 8  7  o 51.710  2.0437 21.108   1.6567  20.294   2.0982  22.456   2.6997  50.512  2.6590 52.949  3.2684 -2.436771      4.213422 
1 1 1 23 8  8  o 65.987  1.8590 34.333   1.9230  32.935   2.4403  36.622   3.1234  64.499  2.4135 67.852  2.9364 -3.352654      3.800961 
1 1 1 23 8  9  o 52.664  2.2204 21.926   1.8332  23.030   2.4493  20.520   2.7642  53.733  2.9186 50.513  3.5126 3.220013       4.566909 
1 1 1 23 8  10 o 49.208  2.2624 19.150   1.7452  19.227   2.3465  19.055   2.6109  49.033  3.0682 48.688  3.4429 0.3449669      4.611626 
1 1 1 23 8  11 o 78.895  1.6685 49.031   2.0637  48.073   3.0490  49.840   2.8034  77.884  2.4972 79.384  2.2527 -1.499550      3.363120 
1 1 1 23 8  12 o 41.842  2.3176 13.897   1.5143  11.826   2.2419  15.634   2.0535  38.177  3.7963 44.214  2.9801 -6.036922      4.826253 
1 1 1 23 8  13 o 65.978  1.8394 34.332   1.9026  33.896   2.9414  34.645   2.4947  65.270  2.8746 66.134  2.4062 -0.8648071     3.748810 
1 1 1 23 8  14 o 58.424  1.9750 26.949   1.8089  26.459   2.7635  27.316   2.3927  57.520  3.0758 58.666  2.6017 -1.145786      4.028545 
1 1 1 23 8  15 f 72.430  1.6941 41.343   1.9236  38.274   2.7364  44.341   2.7045  69.465  2.5128 74.839  2.3052 -5.373093      3.410023 
1 1 1 23 8  16 o 10.158  4.3993 -0.0991  1.2911  -2.9447  1.8676  2.5059   1.7869  8.9114  4.3184 17.496  5.6878 -8.584600      7.141380 
1 1 1 23 8  17 o 46.866  2.0141 17.353   1.4797  17.658   2.0869  17.044   2.0984  47.010  2.8451 46.161  2.9148 0.8489876      4.073168 
1 1 1 23 8  18 o 39.547  2.2381 12.420   1.3819  12.417   1.8724  12.424   2.0479  39.321  3.0616 39.237  3.3618 0.8390808E-01  4.547013 
1 1 1 23 8  19 o 33.005  2.5602 8.7030   1.3143  6.4097   1.7598  11.596   1.9764  27.834  4.1607 37.887  3.3626 -10.05283      5.349600 
1 1 1 23 8  20 o 57.305  1.7984 25.915   1.6156  23.613   2.2238  28.488   2.3512  54.499  2.6029 59.893  2.5041 -5.394108      3.611829 
1 1 1 23 8  21 o 30.193  2.7031 7.3133   1.2659  7.8184   1.7555  6.7661   1.8273  30.931  3.6933 28.571  4.2055 2.359968       5.597046 
1 1 1 23 8  22 o 57.654  1.7612 26.234   1.5918  25.991   2.2204  26.491   2.2833  57.196  2.4763 57.728  2.5230 -0.5323105     3.535216 
1 1 1 23 8  23 o 20.625  3.9429 3.5570   1.2284  4.0963   1.6948  2.9600   1.7830  21.831  5.0522 18.611  5.6305 3.220144       7.564845 
1 1 1 23 8  24 o 69.301  1.6701 37.893   1.8144  36.891   2.4771  39.052   2.6651  68.172  2.3179 70.098  2.4252 -1.926003      3.354708 
1 1 1 23 8  25 o 47.528  2.0167 17.883   1.5026  19.235   2.1141  16.501   2.1362  49.009  2.7629 45.283  3.0266 3.725437       4.098062 
1 1 1 23 8  26 o 18.618  4.4013 2.9562   1.2643  2.7092   1.6967  3.2647   1.8959  17.823  5.5120 19.386  5.7928 -1.563082      7.996198 
1 1 1 23 8  27 o 52.806  1.9669 22.079   1.6282  22.855   2.2100  21.159   2.4080  53.511  2.6345 51.266  3.0094 2.245010       3.999625 
1 1 1 23 8  28 o 71.090  1.7436 39.942   1.9431  42.804   2.6431  36.576   2.8664  73.370  2.2979 67.638  2.7033 5.731949       3.547993 
1 1 1 23 8  29 o 24.287  3.6221 4.8877   1.3369  8.0579   1.8694  1.5690   1.9127  31.181  3.9104 15.195  5.7896 15.98533       6.986468 
1 1 1 23 8  30 o 26.036  3.3986 5.5772   1.3541  5.7081   1.8368  5.4214   2.0040  25.817  4.7121 24.888  5.2987 0.9292145      7.090878 
1 1 1 23 8  31 o 38.010  2.5547 11.602   1.5134  9.9584   2.0618  13.522   2.2286  34.670  3.8590 40.621  3.5349 -5.950783      5.233279 
1 1 1 23 8  32 o 35.996  2.5303 10.414   1.4188  11.173   1.9354  9.5335   2.0859  36.941  3.3794 33.805  4.0145 3.135094       5.247543 
1 1 1 23 8  33 o 8.1667  3.8270 -1.1169  1.2322  0.3831   1.6458  -3.0303  1.8588  12.079  5.0904 8.6833  4.2306 3.395883       6.618981 
1 1 1 23 8  34 o 12.091  4.7880 0.8072   1.3478  1.7231   1.7242  -0.6318  2.1612  15.052  5.5462 12.027  5.4224 3.024898       7.756421 
1 1 1 23 8  35 o 21.461  4.4394 3.9930   1.4443  6.3133   1.8660  0.5250   2.2812  27.062  4.5605 13.885  5.9277 13.17728       7.479033 
1 1 1 23 8  36 o 40.474  2.5058 13.203   1.5821  12.393   2.2151  14.047   2.2604  38.586  3.7077 41.206  3.5335 -2.620239      5.121762 
1 1 1 23 8  37 o 42.208  2.4253 14.347   1.5980  12.891   2.2838  15.743   2.2367  39.278  3.7548 43.743  3.2857 -4.465351      4.989435 
1 1 1 23 8  38 o 17.255  4.7894 2.6511   1.3413  3.0518   1.7930  2.1417   2.0213  18.292  5.6676 16.190  5.9975 2.102158       8.251810 
1 1 1 23 8  39 o 26.315  3.4586 5.8034   1.3922  4.7788   1.8556  7.1228   2.1058  22.906  5.2763 28.341  4.9180 -5.435171      7.212916 
1 1 1 23 8  40 o 19.725  4.7119 3.4866   1.4370  5.2641   2.0156  1.6488   2.0494  23.873  5.4990 15.096  5.9275 8.776888       8.085425 
1 1 1 23 8  41 o 18.872  4.8700 3.2296   1.4505  4.0992   1.9846  2.2324   2.1252  20.786  5.8456 16.312  6.1285 4.474026       8.469296 
1 1 1 23 8  42 o 29.364  3.6492 7.3060   1.6436  6.2745   2.0311  9.2632   2.7977  26.274  5.1152 31.395  5.9011 -5.120827      7.809515 
1 1 1 23 8  43 f 31.685  3.3542 8.4143   1.6408  8.1447   2.0124  8.9488   2.8337  30.542  4.3238 30.567  6.1270 -0.2430534E-01 7.499021 
1 1 1 23 8  44 o 39.204  2.9873 12.699   1.8221  11.135   2.2989  15.341   2.9885  35.849  4.1685 41.666  4.6547 -5.817043      6.248425 
1 1 1 23 8  45 o 29.784  3.8291 7.6161   1.7464  10.412   2.4255  4.6063   2.5167  34.234  4.6390 21.243  6.7345 12.99105       8.177670 
1 1 1 23 8  46 o 16.597  5.0774 2.5435   1.4442  4.3755   2.0358  0.6875   2.0491  21.171  5.9089 13.158  5.6177 8.013499       8.153184 
1 1 1 23 8  47 o 27.792  3.6402 6.6102   1.5479  7.1228   2.1669  6.0762   2.2118  27.760  5.1694 25.139  5.7387 2.621496       7.723680 
1 1 1 23 8  48 o 33.179  3.1286 9.2094   1.6081  8.7035   2.2291  9.7585   2.3221  31.062  4.7269 33.012  4.6131 -1.950373      6.604856 
1 1 1 23 8  49 o 10.132  4.4923 -0.1123  1.4188  0.2492   1.9019  -0.5657  2.1303  12.044  5.2757 11.530  5.2707 0.5143671      7.457408 
1 1 1 23 8  50 o 12.615  4.9855 1.1163   1.4587  0.7952   1.8963  1.5814   2.2828  12.848  5.4420 14.797  6.0958 -1.948205      8.171550 
1 1 1 23 8  51 o 11.371  4.9527 0.2737   1.6553  0.5957   2.5505  0.0395   2.1757  13.686  6.0477 12.262  5.4915 1.423370       8.168965 
1 1 1 23 8  52 o 12.151  5.0874 0.7898   1.6267  4.3784   2.5793  -1.5803  2.0961  19.897  6.8397 10.228  4.8529 9.668745       8.386441 
1 1 1 23 8  53 o 21.485  4.9200 4.4248   1.6214  2.5473   2.6996  5.4844   2.0280  16.320  6.6650 23.361  5.6085 -7.041231      8.710794 
1 1 1 23 8  54 o 12.550  5.1230 1.1126   1.5940  -0.6876  2.4881  2.3657   2.0759  11.823  5.5066 15.548  6.0045 -3.725064      8.147141 
1 1 1 23 9  0  o 7.5720  5.2161 -1.4490  2.0502  -1.4490  2.0502  -1.4490  2.0502  7.5720  5.2161 7.5720  5.2161 0.000000       0.000000 
1 1 1 23 9  1  o 49.220  2.2051 19.172   1.7015  17.656   2.4418  20.603   2.3722  46.832  3.3480 50.735  2.9958 -3.903152      4.492668 
1 1 1 23 9  2  o 18.769  4.8066 2.9947   1.4204  4.5398   2.0252  1.4987   1.9928  22.915  5.6688 15.423  5.9017 7.492226       8.183230 
1 1 1 23 9  3  o 73.612  1.8903 42.776   2.1814  43.217   3.2957  42.432   2.9101  73.657  2.8541 73.107  2.5392 0.5499573      3.820156 
1 1 1 23 9  4  o 32.974  2.8634 8.7242   1.4655  8.2904   2.0061  9.2205   2.1459  31.747  4.1286 33.486  4.1788 -1.739471      5.874338 
1 1 1 23 9  5  o 71.312  1.8036 40.122   2.0164  39.324   2.8057  40.975   2.8997  70.373  2.5432 71.824  2.5754 -1.451187      3.619434 
1 1 1 23 9  6  o 38.139  2.4679 11.589   1.4676  12.107   1.9368  10.889   2.2491  38.773  3.2155 36.490  3.9971 2.282665       5.129930 
1 1 1 23 9  7  o 28.932  3.0753 6.7583   1.3734  6.7127   1.8346  6.8165   2.0715  28.470  4.2400 28.487  4.8099 -0.1648712E-01 6.411894 
1 1 1 23 9  8  o 44.444  2.1734 15.634   1.5143  14.255   2.0162  17.417   2.2936  42.131  3.0738 46.561  3.1609 -4.429611      4.409050 
1 1 1 23 9  9  o 50.096  2.0116 19.837   1.5798  20.334   2.1192  19.216   2.3702  50.486  2.6874 48.931  3.1060 1.554813       4.107211 
1 1 1 23 9  10 o 23.839  3.7246 4.6837   1.3464  5.3066   1.8297  3.9480   1.9885  25.036  4.8369 21.330  5.7958 3.706358       7.548937 
1 1 1 23 9  11 o 48.274  2.0670 18.433   1.5643  19.834   2.1234  16.771   2.3132  49.837  2.7282 45.634  3.2549 4.203018       4.247023 
1 1 1 23 9  12 o 46.796  2.1819 17.342   1.6006  15.972   2.2324  18.792   2.2962  44.535  3.2193 48.390  3.0424 -3.854877      4.429448 
1 1 1 23 9  13 o 50.522  2.0102 20.186   1.5921  20.737   2.1588  19.528   2.3575  50.955  2.7123 49.317  3.0645 1.638168       4.092407 
1 1 1 23 9  14 o 43.947  2.3040 15.359   1.5818  14.866   2.0124  16.157   2.5588  43.018  3.0029 44.584  3.6942 -1.565994      4.760771 
1 1 1 23 9  15 o 40.108  2.4596 12.830   1.5391  13.779   1.9581  11.296   2.4895  41.387  3.0392 36.934  4.3853 4.453262       5.335527 
1 1 1 23 9  16 o 33.120  3.1120 8.8644   1.5969  8.5787   2.0830  9.2716   2.4868  32.176  4.2323 33.165  4.9334 -0.9887657     6.500111 
1 1 1 23 9  17 o 43.292  2.4512 14.947   1.6567  15.761   2.0260  13.305   2.8783  44.297  2.9341 39.936  4.6867 4.361408       5.529367 
1 1 1 23 9  18 o 8.6946  4.0357 -1.0464  1.3182  0.2258   1.5599  -4.2245  2.4655  11.666  4.9382 9.8778  4.8257 1.788250       6.904577 
1 1 1 23 9  19 o 67.927  2.0551 36.551   2.1884  36.745   2.7398  36.208   3.6375  67.905  2.5737 66.873  3.4817 1.031929       4.329705 
1 1 1 23 9  20 o 13.954  5.0950 1.3959   1.4504  0.9112   1.7952  2.3072   2.4613  13.641  5.4841 17.652  6.6025 -4.010973      8.582991 
1 1 1 23 9  21 o 10.155  4.4864 -0.2997  1.4030  0.1028   1.8451  -0.8513  2.1601  12.306  5.2943 11.918  5.3927 0.3878880      7.557176 
1 1 1 23 9  22 o 59.322  2.0766 27.910   1.9312  27.572   2.6145  28.316   2.8649  58.664  2.8429 59.258  3.0947 -0.5936050     4.202254 
1 1 1 23 9  23 o 23.863  4.4172 4.8351   1.5916  3.0379   2.2819  6.5377   2.2210  18.900  6.4346 27.409  5.3612 -8.508572      8.375354 
1 1 1 23 9  24 f 40.524  2.7386 13.209   1.7296  18.577   2.5509  8.6426   2.3531  47.759  3.4300 31.834  4.8699 15.92491       5.956588 
1 1 1 23 9  25 o 84.759  2.0859 57.051   2.7716  57.629   3.6500  56.264   4.2596  84.785  2.7461 83.397  3.2581 1.387466       4.261009 
1 1 1 23 9  26 o 16.061  5.1657 2.1804   1.4766  1.8483   2.2217  2.4433   1.9764  16.215  6.2251 17.180  5.9825 -0.9641438     8.633786 
1 1 1 23 9  27 o 53.238  2.0980 22.534   1.7510  23.639   2.4990  21.468   2.4542  54.078  2.9589 51.477  3.0549 2.601730       4.252971 
1 1 1 23 9  28 o 32.656  2.8934 8.6560   1.4659  7.4343   2.0465  9.9433   2.1007  29.500  4.5732 34.529  3.9520 -5.029095      6.044188 
1 1 1 23 9  29 o 32.283  3.0039 8.4932   1.5028  10.066   2.1624  7.0239   2.0900  34.653  4.0573 28.474  4.8564 6.178905       6.328248 
1 1 1 23 9  30 o 23.955  3.9136 4.8508   1.4189  5.1050   2.0268  4.6064   1.9871  23.813  5.5345 22.554  5.6359 1.259222       7.898973 
1 1 1 23 9  31 o 26.979  3.5383 6.0639   1.4604  7.0001   2.1850  5.3080   1.9633  28.173  5.1366 24.371  5.2906 3.802324       7.373996 
1 1 1 23 9  32 o 10.889  4.5512 0.3634   1.2986  -2.2764  1.6957  4.1075   2.0194  8.6891  4.1870 21.095  5.8842 -12.40603      7.221796 
1 1 1 23 9  33 o 25.824  3.5979 5.5973   1.4170  5.0550   1.8036  6.4718   2.2903  23.831  4.9878 26.625  5.6614 -2.794304      7.545163 
1 1 1 23 9  34 o 27.678  3.6249 6.4381   1.5351  9.4874   2.0969  2.9170   2.2533  33.391  4.0914 18.045  6.3801 15.34624       7.579309 
1 1 1 23 9  35 o 34.717  2.9127 9.8753   1.5706  9.1512   2.0669  10.865   2.4160  32.721  4.1208 35.457  4.4441 -2.736504      6.060636 
1 1 1 23 9  36 o 16.557  5.2321 2.4647   1.5200  4.4610   1.9642  -0.5147  2.3996  21.824  5.6847 12.550  5.6806 9.273787       8.036510 
1 1 1 23 9  37 o 12.266  4.9707 0.8176   1.4875  0.9599   1.8368  0.5464   2.5357  13.343  5.4790 14.127  6.1416 -0.7837477     8.230386 
1 1 1 23 9  38 o 37.959  2.8997 11.843   1.7125  11.194   2.0835  13.195   3.0062  36.374  3.7057 38.302  5.1360 -1.928467      6.333245 
1 1 1 23 9  39 o 10.193  4.5555 -0.2848  1.4890  -1.0474  1.9399  0.8087   2.3230  10.606  4.9132 13.990  5.9773 -3.383961      7.737438 
1 1 1 23 9  40 o 14.083  5.0738 1.6509   1.4314  2.3910   2.0060  0.8830   2.0432  16.393  5.9910 13.519  5.6832 2.873614       8.257770 
1 1 1 23 9  41 o 9.4509  4.3089 -0.5786  1.4120  0.9179   2.0116  -2.0319  1.9824  13.478  5.6511 9.6962  4.6339 3.781931       7.308083 
1 1 1 23 9  42 o 31.764  3.0421 8.3972   1.4963  7.5250   1.9785  9.5629   2.2872  29.111  4.4788 32.790  4.5740 -3.678970      6.401664 
1 1 1 23 9  43 o 38.448  2.6744 12.130   1.6019  13.097   2.1033  10.795   2.4721  39.393  3.4404 34.749  4.6549 4.643349       5.788306 
1 1 1 23 9  44 o 54.386  2.2862 23.923   1.9492  22.487   2.6823  25.530   2.8375  51.763  3.3230 55.195  3.2943 -3.432537      4.679181 
1 1 1 23 9  45 o 31.102  3.2088 8.1386   1.5420  7.7885   2.0697  8.5754   2.3119  29.379  4.6485 30.549  5.0006 -1.170300      6.827464 
1 1 1 23 9  46 o 25.706  4.0876 5.8323   1.5921  5.5113   2.0391  6.3337   2.5483  23.884  5.5514 24.785  6.4840 -0.9011917     8.535819 
1 1 1 23 9  47 o 17.958  5.2599 3.1031   1.5759  4.8746   2.0701  0.6616   2.4302  22.075  5.8774 13.625  5.9660 8.449452       8.374811 
1 1 1 23 9  48 o 23.656  4.3790 5.0778   1.5641  6.7713   2.0092  2.4734   2.4918  26.924  4.9424 16.378  6.5023 10.54679       8.167461 
1 1 1 23 9  49 o 27.222  4.1967 6.6571   1.7334  9.2658   2.3837  3.7296   2.5252  31.394  5.0119 18.589  6.7326 12.80542       8.393322 
1 1 1 23 9  50 o 11.372  4.8703 0.5003   1.5487  0.7758   2.1790  0.2192   2.2016  13.084  5.6909 12.372  5.5334 0.7126427      7.937553 
1 1 1 23 9  51 o 12.738  5.1096 1.2268   1.5545  0.2839   2.1674  2.2257   2.2307  12.287  5.4933 15.368  6.1363 -3.081491      8.235914 
1 1 1 23 9  52 o 10.750  4.7432 0.2012   1.5631  0.6702   2.2087  -0.2695  2.2124  12.747  5.6307 11.601  5.3281 1.146785       7.752039 
1 1 1 23 10 0  o 30.035  4.7499 7.7096   2.0691  7.7096   2.0691  7.7096   2.0691  30.035  4.7499 30.035  4.7499 0.000000       0.000000 
1 1 1 23 10 1  o 36.488  2.9338 10.718   1.6640  13.213   2.7452  9.2696   2.0921  39.887  4.4669 33.505  4.0664 6.381439       6.040583 
1 1 1 23 10 2  o 56.811  2.0140 25.549   1.7937  25.825   2.5503  25.279   2.5233  56.760  2.8755 56.156  2.8759 0.6042557      4.066851 
1 1 1 23 10 3  o 51.862  2.1291 21.317   1.7310  24.086   2.5152  18.824   2.3859  54.782  2.9395 48.319  3.1673 6.463150       4.321193 
1 1 1 23 10 4  o 35.801  2.7483 10.290   1.5307  9.0765   2.1433  11.553   2.1869  33.076  4.2303 37.574  3.7632 -4.498493      5.661941 
1 1 1 23 10 5  o 33.184  3.0008 8.8904   1.5442  11.308   2.0944  6.0107   2.2857  37.219  3.6361 26.215  5.7224 11.00398       6.779896 
1 1 1 23 10 6  o 38.612  2.5657 11.927   1.5442  11.232   2.1459  12.674   2.2239  37.042  3.7469 39.413  3.6404 -2.370892      5.224157 
1 1 1 23 10 7  o 49.470  2.1728 19.411   1.6850  20.892   2.3568  17.862   2.4101  50.986  2.9614 46.994  3.2922 3.992847       4.428147 
1 1 1 23 10 8  o 22.575  4.0719 4.2746   1.3881  4.8120   1.9655  3.7399   1.9605  23.486  5.4445 20.642  5.8119 2.844475       7.963690 
1 1 1 23 10 9  o 27.350  3.3831 6.1183   1.4196  6.3881   2.0018  5.8454   2.0133  27.397  4.8379 26.068  5.1093 1.328840       7.036384 
1 1 1 23 10 10 o 31.970  2.7256 8.2223   1.3530  9.4182   1.8017  6.6760   2.0488  33.990  3.4282 28.010  4.8410 5.979719       5.931940 
1 1 1 23 10 11 o 17.036  4.9678 2.4826   1.4084  1.0009   1.9827  3.9920   2.0012  14.252  5.7515 21.262  5.8296 -7.010051      8.189236 
1 1 1 23 10 12 o 46.109  2.1697 16.876   1.5683  14.427   2.0607  20.247   2.4177  42.240  3.1344 50.094  3.0938 -7.854412      4.404037 
1 1 1 23 10 13 o 43.077  2.2911 14.794   1.5416  14.582   2.0450  15.073   2.3463  42.476  3.0924 43.003  3.5110 -0.5273972     4.678641 
1 1 1 23 10 14 o 39.682  2.4368 12.592   1.5085  12.171   2.0378  13.102   2.2439  38.653  3.3974 40.015  3.6161 -1.361599      4.961680 
1 1 1 23 10 15 o 15.592  4.9761 2.0310   1.3723  3.7184   1.9809  0.4739   1.9028  20.481  5.8682 13.058  5.4866 7.423789       8.033589 
1 1 1 23 10 16 o 30.886  2.9933 7.7379   1.4312  9.2619   1.9906  6.1074   2.0590  33.462  3.8659 26.549  5.1329 6.913755       6.425889 
1 1 1 23 10 17 o 9.1124  4.1061 -0.5123  1.2374  -1.9717  1.7133  1.0791   1.7891  9.1327  4.3488 13.883  5.5104 -4.750305      7.019711 
1 1 1 23 10 18 o 33.487  2.7767 9.0535   1.4445  8.3873   1.9253  9.9113   2.1848  31.755  3.9532 34.470  4.1252 -2.714954      5.713599 
1 1 1 23 10 19 o 66.546  1.8251 35.073   1.9040  38.248   2.6198  31.519   2.7719  69.225  2.4140 62.636  2.8229 6.589138       3.714350 
1 1 1 23 10 20 o 21.402  4.0864 3.8902   1.3210  2.2471   1.8105  5.7608   1.9318  16.516  5.7274 25.758  4.9641 -9.241463      7.579313 
1 1 1 23 10 21 o 21.464  4.2026 3.9336   1.3635  4.7490   1.8722  3.0127   1.9897  23.174  5.2724 18.516  6.0006 4.657482       7.987848 
1 1 1 23 10 22 f 34.566  2.6809 9.6481   1.4414  9.1148   1.9460  10.296   2.1454  33.100  3.8204 35.126  3.9655 -2.026264      5.506432 
1 1 1 23 10 23 o 18.449  4.6096 2.9720   1.3294  3.6972   1.8239  2.1500   1.9418  20.279  5.5675 16.347  5.9065 3.931952       8.116901 
1 1 1 23 10 24 o 36.050  2.5373 10.473   1.4248  13.189   1.9269  7.1978   2.1164  40.224  3.0791 28.791  4.8624 11.43380       5.755267 
1 1 1 23 10 25 o 46.432  2.4722 17.334   1.7931  17.271   2.2012  17.460   3.0913  46.038  3.0675 45.402  4.3983 0.6361580      5.362341 
1 1 1 23 10 26 o 60.826  1.9534 29.433   1.8627  27.679   2.3579  32.346   3.0381  58.675  2.5634 63.085  3.0721 -4.409840      4.001058 
1 1 1 23 10 27 o 15.628  4.9649 2.1168   1.3673  4.5605   1.7366  -1.8681  2.2176  22.620  5.0276 10.762  5.0718 11.85793       7.141428 
1 1 1 23 10 28 o 19.892  4.6196 3.4960   1.4130  3.1460   1.8419  3.9966   2.2027  18.571  5.7429 20.619  6.2628 -2.047726      8.497203 
1 1 1 23 10 29 o 20.401  5.1296 3.7671   1.6388  4.8093   1.9640  1.3777   2.9737  22.878  5.5360 16.200  6.8357 6.677402       8.796257 
1 1 1 23 10 30 o 14.861  5.4150 1.7865   1.6371  0.4454   1.9021  5.6181   3.2151  12.671  5.4113 23.372  7.6309 -10.70106      9.354811 
1 1 1 23 10 31 o 9.8129  4.4738 -0.6602  1.5219  -1.0777  1.9352  0.0167   2.4639  10.636  4.9202 13.348  5.9189 -2.711363      7.696909 
1 1 1 23 10 32 o 15.047  5.4538 1.8842   1.6574  3.2907   2.2197  0.1118   2.4917  18.673  6.3463 13.483  5.9668 5.190374       8.710815 
1 1 1 23 10 33 o 24.665  4.8132 5.4607   1.7943  6.9944   2.2821  2.9774   2.9039  27.508  5.4844 18.247  7.0863 9.261677       8.960737 
1 1 1 23 10 34 o 23.207  4.6568 4.8257   1.6353  6.5321   2.2666  2.9729   2.3618  26.376  5.6516 17.886  6.5061 8.490585       8.617989 
1 1 1 23 10 35 o 47.504  2.5613 18.370   1.9003  20.354   2.5069  15.690   2.9136  49.459  3.2514 42.342  4.4563 7.116928       5.516378 
1 1 1 23 10 36 o 14.569  5.3156 1.7830   1.5783  0.5729   2.1408  3.2239   2.3360  13.204  5.6916 18.283  6.4927 -5.079467      8.634219 
1 1 1 23 10 37 o 42.567  2.8253 14.915   1.8747  14.665   2.3119  15.394   3.2034  41.619  3.5782 41.188  5.0682 0.4312744      6.204044 
1 1 1 23 10 38 o 12.480  5.0655 0.9239   1.5475  1.4205   1.9082  -0.0299  2.6448  14.148  5.6661 13.378  6.0179 0.7698488      8.265569 
1 1 1 23 10 39 o 33.769  3.3442 9.6181   1.7471  6.9915   2.0764  15.986   3.2331  27.600  4.9823 41.902  5.0220 -14.30170      7.074129 
1 1 1 23 10 40 o 17.152  5.5795 2.8047   1.7194  1.4358   2.1271  5.3852   2.9205  14.445  5.9097 22.205  7.2740 -7.759757      9.372072 
1 1 1 23 10 41 o 49.596  2.6086 20.160   2.0211  19.447   2.5289  21.419   3.3624  48.006  3.3819 49.210  4.4051 -1.203808      5.553574 
1 1 1 23 10 42 o 29.559  3.6820 7.5337   1.6692  7.5276   2.3594  7.5398   2.3618  28.017  5.5680 28.039  5.5695 -0.2186775E-01 7.875404 
1 1 1 23 10 43 f 13.003  5.2108 1.1706   1.6150  5.0293   2.5139  -1.5412  2.1075  21.709  6.7086 10.384  4.9090 11.32486       8.312837 
1 1 1 23 10 44 o 13.120  5.1353 1.3055   1.5343  0.7221   2.1675  1.8913   2.1720  13.186  5.7053 15.116  6.0481 -1.929975      8.314467 
1 1 1 23 10 45 o 16.193  5.2396 2.5201   1.5175  3.1349   2.1616  1.9228   2.1308  17.534  6.2436 15.051  6.0011 2.482322       8.660047 
1 1 1 23 10 46 o 16.727  5.2659 2.7377   1.5409  2.5601   2.1990  2.9089   2.1598  16.217  6.2010 16.928  6.2120 -0.7110405     8.777296 
1 1 1 23 10 47 f 36.121  3.0103 11.029   1.6891  9.7806   2.3598  12.341   2.4188  32.292  4.8082 36.946  4.2538 -4.654556      6.419771 
1 1 1 23 10 48 o 31.333  3.5380 8.5858   1.7074  7.4440   2.4092  9.7380   2.4202  26.836  5.8885 31.852  5.0123 -5.016964      7.732888 
1 1 1 23 10 49 o 27.864  3.8948 6.9976   1.6548  6.6746   2.3410  7.3202   2.3395  24.978  6.0439 26.534  5.7873 -1.556276      8.367901 
1 1 1 23 11 0  f 13.408  7.3499 2.1396   2.2171  2.1396   2.2171  2.1396   2.2171  13.408  7.3499 13.408  7.3499 0.000000       0.000000 
1 1 1 23 11 1  o 26.191  3.7635 5.7078   1.5008  6.3136   2.1221  5.1016   2.1229  26.913  5.2181 23.906  5.7376 3.007359       7.755580 
1 1 1 23 11 2  o 14.947  5.2999 1.7416   1.5559  1.9270   2.3371  1.5940   2.0853  16.565  6.3784 15.501  6.0091 1.064021       8.763173 
1 1 1 23 11 3  o 29.157  3.3062 6.9666   1.4845  6.6741   2.1324  7.2416   2.0679  27.748  5.0897 29.132  4.6868 -1.383827      6.918956 
1 1 1 23 11 4  o 23.322  4.0569 4.5896   1.4294  4.8340   2.0360  4.3521   2.0073  23.292  5.6367 22.054  5.7475 1.237961       8.050205 
1 1 1 23 11 5  o 40.396  2.6553 13.125   1.6722  13.259   2.2388  12.955   2.5148  40.187  3.5915 39.439  4.1287 0.7486191      5.472206 
1 1 1 23 11 6  o 13.162  4.9597 1.1721   1.3939  -0.8605  1.9704  3.2083   1.9722  11.240  5.1114 19.061  5.9505 -7.820198      7.844350 
1 1 1 23 11 7  o 15.073  5.0328 1.8694   1.3957  4.1088   1.9969  -0.2694  1.9516  21.395  5.8056 11.968  5.2893 9.427500       7.853768 
1 1 1 23 11 8  o 23.638  3.9741 4.7063   1.4204  5.0880   1.9586  4.2829   2.0629  24.004  5.3425 21.798  5.8949 2.206081       7.955637 
1 1 1 23 11 9  o 40.400  2.5413 13.109   1.6013  14.879   2.3083  11.467   2.2232  42.611  3.4860 37.185  3.8706 5.426792       5.209057 
1 1 1 23 11 10 o 17.686  5.0959 2.7362   1.4900  2.0481   2.1625  3.3582   2.0560  16.480  6.1839 19.403  6.0785 -2.922745      8.671178 
1 1 1 23 11 11 o 20.625  4.5733 3.6870   1.4399  6.6547   2.0817  0.9648   1.9938  27.687  4.9792 14.049  5.7317 13.63761       7.592371 
1 1 1 23 11 12 o 13.037  4.9379 1.1448   1.3861  1.9588   1.9068  0.2327   2.0184  15.903  5.8366 12.863  5.5357 3.040007       8.044297 
1 1 1 23 11 13 o 28.748  3.2180 6.7828   1.4254  6.3539   1.9106  7.3211   2.1405  27.174  4.6524 29.097  4.8644 -1.923000      6.731025 
1 1 1 23 11 14 o 16.380  4.7718 2.3304   1.3001  1.3089   1.7274  3.6648   1.9744  14.123  5.4709 20.123  5.8857 -5.999547      8.035724 
1 1 1 23 11 15 o 21.591  4.1129 3.9826   1.3413  3.2397   1.8129  4.8810   1.9936  19.009  5.6611 23.295  5.5400 -4.285709      7.920810 
1 1 1 23 11 16 f 31.614  2.9240 8.1412   1.4327  6.9570   1.8902  9.7401   2.1964  28.555  4.3608 33.952  4.2174 -5.397503      6.066603 
1 1 1 23 11 17 o 29.198  3.1097 6.9940   1.4015  7.0094   1.8772  6.9745   2.1066  28.670  4.3101 28.258  4.9348 0.4117870      6.552055 
1 1 1 23 11 18 o 21.183  4.2454 3.8712   1.3607  6.1114   1.8427  1.1848   2.0179  26.574  4.5893 14.385  5.8034 12.18896       7.398745 
1 1 1 23 11 19 o 36.116  2.6354 10.556   1.4818  10.024   2.0038  11.197   2.2012  34.644  3.7494 36.541  3.9030 -1.897633      5.412160 
1 1 1 23 11 20 o 10.139  4.4316 -0.0819  1.3356  -1.4346  1.7823  1.6507   2.0171  9.8289  4.6049 15.233  5.9087 -5.404018      7.491236 
1 1 1 23 11 21 o 9.1204  4.2362 -1.0369  1.4563  -1.6428  1.7869  0.1612   2.5129  9.6084  4.5355 13.786  6.0508 -4.177860      7.561971 
1 1 1 23 11 22 o 21.870  4.7414 4.2386   1.5787  3.1465   2.0139  5.9797   2.5429  18.536  6.0388 25.013  6.4450 -6.476929      8.832033 
1 1 1 23 11 23 o 15.145  5.2935 1.9268   1.5481  0.8194   1.9184  3.9938   2.6209  13.373  5.5556 20.396  6.8963 -7.022758      8.855679 
1 1 1 23 11 24 o 42.672  2.8577 14.868   1.9006  13.764   2.4876  16.415   2.9458  40.299  3.9900 43.732  4.3548 -3.432281      5.906312 
1 1 1 23 11 25 o 23.445  4.4041 4.8198   1.5593  7.4565   2.1097  1.6459   2.3148  29.025  4.8047 15.487  6.2270 13.53808       7.865169 
1 1 1 23 11 26 o 32.553  3.0842 8.7609   1.5552  11.229   2.2352  6.4455   2.1652  36.282  3.9960 26.507  5.3940 9.774820       6.712863 
1 1 1 23 11 27 o 47.169  2.3228 17.918   1.7176  17.973   2.3795  17.858   2.4818  46.530  3.2832 46.249  3.4478 0.2808151      4.760972 
1 1 1 23 11 28 o 10.544  4.6023 0.0267   1.4359  0.0633   1.8678  -0.0262  2.2454  11.865  5.2118 12.683  5.6360 -0.8182325     7.676441 
1 1 1 23 11 29 o 52.854  2.1899 22.464   1.8145  23.737   2.3582  20.617   2.8410  53.834  2.8039 49.387  3.6963 4.447250       4.639442 
1 1 1 23 11 30 o 10.348  4.5342 -0.0100  1.4059  0.6177   1.7685  -1.0879  2.3175  12.461  5.2653 11.567  5.3626 0.8934221      7.515434 
1 1 1 23 11 31 o 16.098  5.1255 2.3729   1.4566  2.4453   1.8710  2.2615   2.3207  16.386  5.8116 16.316  6.3353 0.7065010E-01  8.597129 
1 1 1 23 11 32 o 35.991  2.9693 10.738   1.6604  10.307   2.0892  11.479   2.7355  34.573  3.9243 35.501  5.0581 -0.9286880     6.401921 
1 1 1 23 11 33 o 26.195  4.0494 6.0023   1.6093  6.1003   2.1070  5.8650   2.4931  25.390  5.4560 24.016  6.4745 1.374004       8.466814 
1 1 1 23 11 34 o 18.949  4.8684 3.3365   1.4539  1.4478   1.9225  5.8599   2.2222  14.175  5.6835 24.488  5.8657 -10.31375      8.167542 
1 1 1 23 11 35 o 9.2937  4.3304 -0.9924  1.5411  -1.2855  2.0683  -0.6265  2.3106  10.587  4.9604 11.911  5.4611 -1.323284      7.377592 
1 1 1 23 11 36 o 12.634  5.0789 1.0392   1.5395  1.7509   1.9279  -0.2131  2.5574  14.724  5.7584 12.885  5.8453 1.838805       8.205256 
1 1 1 23 11 37 o 26.068  4.2342 6.0461   1.6710  6.6554   2.0509  4.8430   2.8818  26.708  5.0842 20.975  7.2286 5.732454       8.837474 
1 1 1 23 11 38 o 7.1836  3.5366 -2.5927  1.4058  -2.9764  1.7497  -1.8937  2.3614  8.1017  3.9800 10.739  5.1115 -2.637645      6.478306 
1 1 1 23 11 39 o 20.404  4.8333 3.9012   1.5222  3.0854   1.8896  5.4093   2.5692  17.644  5.8545 22.426  6.7531 -4.781879      8.937500 
1 1 1 23 11 40 o 19.887  5.0000 3.7671   1.5571  4.1191   1.9689  3.1793   2.5444  20.169  5.8713 17.668  6.6906 2.501034       8.901478 
1 1 1 23 11 41 o 20.808  4.6346 4.0344   1.4730  3.0603   1.9788  5.2450   2.2060  17.407  5.9904 22.531  6.0972 -5.123875      8.547579 
1 1 1 23 11 42 o 7.8207  3.7771 -1.7772  1.3987  0.3596   1.8583  -4.5696  2.1243  11.894  5.2123 8.1820  4.0823 3.712189       6.620673 
1 1 1 23 11 43 f 26.339  3.8926 6.1729   1.5588  3.0591   2.1275  9.7828   2.2906  17.150  6.1846 32.507  4.6254 -15.35719      7.722929 
1 1 1 23 11 44 o 21.537  4.7736 4.4368   1.5693  6.1447   2.1798  2.5992   2.2611  24.453  5.7781 16.082  6.2509 8.370491       8.512418 
1 1 1 23 11 45 o 20.181  5.2149 4.0911   1.6617  3.7224   2.4529  4.4038   2.2591  18.063  6.6213 19.776  6.3924 -1.713667      9.203503 
1 1 1 23 11 46 o 11.612  4.9800 0.6641   1.6233  0.4695   2.4860  0.8087   2.1434  12.849  5.8021 12.755  5.5934 0.9429741E-01  8.059133 
1 1 1 23 12 0  o 31.481  4.8586 8.5358   2.2278  8.5358   2.2278  8.5358   2.2278  31.481  4.8586 31.481  4.8586 0.000000       0.000000 
1 1 1 23 12 1  o 22.035  4.8192 4.2821   1.6184  3.8530   2.1568  4.8350   2.4481  20.401  6.1974 22.608  6.5371 -2.207413      9.007864 
1 1 1 23 12 2  o 30.194  3.8899 7.6696   1.7984  8.9829   2.9801  6.9173   2.2555  31.127  6.3228 27.837  5.3630 3.290121       8.290948 
1 1 1 23 12 3  o 18.292  4.9479 2.9744   1.4531  3.5476   2.0726  2.4203   2.0378  19.657  6.0942 16.944  6.0592 2.712631       8.593748 
1 1 1 23 12 4  o 9.8460  4.4089 -0.4041  1.4020  -0.5344  1.9924  -0.2762  1.9733  11.593  5.2185 11.886  5.2825 -0.2920504     7.425430 
1 1 1 23 12 5  o 32.806  3.0825 8.8220   1.5667  8.1670   2.1869  9.5125   2.2454  30.703  4.6926 33.355  4.4018 -2.651590      6.434016 
1 1 1 23 12 6  o 35.533  2.8780 10.285   1.5894  12.148   2.2337  8.3736   2.2621  38.132  3.7867 31.015  4.8080 7.116549       6.120099 
1 1 1 23 12 7  o 15.492  5.1385 2.0521   1.4557  3.1178   2.0888  1.0456   2.0299  18.564  6.1551 14.108  5.7727 4.455501       8.438527 
1 1 1 23 12 8  o 55.756  2.1382 24.823   1.8689  23.132   2.6289  26.551   2.6573  53.160  3.1689 57.103  2.9788 -3.943741      4.349173 
1 1 1 23 12 9  o 30.472  3.2433 7.6685   1.5255  8.7938   2.1887  6.6053   2.1274  31.954  4.4934 27.233  5.1723 4.720688       6.851565 
1 1 1 23 12 10 o 14.826  5.0559 1.8432   1.4088  0.5999   2.0200  3.0208   1.9658  13.287  5.6217 18.256  5.9672 -4.968458      8.198256 
1 1 1 23 12 11 o 17.333  5.0142 2.6838   1.4400  1.3910   2.0224  4.0134   2.0509  14.681  5.8487 20.739  5.9795 -6.058358      8.364349 
1 1 1 23 12 12 o 17.116  5.1867 2.6214   1.5121  2.6787   1.9952  2.5441   2.3176  17.393  6.0135 17.328  6.4214 0.6517792E-01  8.797524 
1 1 1 23 12 13 o 38.743  3.1206 12.338   1.8793  13.260   2.4633  11.055   2.9069  39.580  4.0260 35.062  5.4668 4.517746       6.789312 
1 1 1 23 12 14 o 30.067  3.9560 7.6836   1.8194  8.2374   2.4569  7.0112   2.7075  30.214  5.3845 27.034  6.4741 3.179869       8.420586 
1 1 1 23 12 15 o 38.168  3.2910 12.060   1.9499  11.797   2.5712  12.417   2.9915  36.891  4.5417 37.274  5.2661 -0.3826408     6.954085 
1 1 1 23 12 16 f 42.023  3.1835 14.570   2.0816  16.082   2.6489  12.128   3.3659  43.616  3.9158 35.973  6.1919 7.643185       7.326208 
1 1 1 23 12 17 f 27.575  3.8371 6.4743   1.6138  7.3849   2.1845  5.3805   2.3943  28.715  5.0366 23.572  6.3408 5.143084       8.097727 
1 1 1 23 12 18 o 13.082  5.1461 1.1234   1.5474  -0.5519  2.0233  3.4838   2.4016  11.500  5.2100 19.117  6.5983 -7.616932      8.407229 
1 1 1 23 12 19 o 16.610  5.2111 2.5013   1.5104  3.8375   2.0266  0.8314   2.2655  20.038  5.9896 13.987  5.9376 6.050702       8.433856 
1 1 1 23 12 20 o 9.7211  4.3870 -0.4459  1.4187  -0.5433  1.8149  -0.2929  2.2745  10.872  4.9290 12.431  5.5874 -1.559016      7.450835 
1 1 1 23 12 21 o 10.860  4.6574 0.2324   1.4197  0.0462   1.8428  0.5043   2.2267  11.764  5.1719 13.360  5.7817 -1.596314      7.757354 
1 1 1 23 12 22 o 29.758  3.2485 7.4092   1.4908  7.1768   1.9951  7.7029   2.2434  28.400  4.6416 29.094  5.1050 -0.6944637     6.899626 
1 1 1 23 12 23 o 15.954  4.9804 2.3132   1.3816  1.7882   1.8379  2.9953   2.0949  14.896  5.6753 17.780  6.1611 -2.883732      8.376674 
1 1 1 23 12 24 o 48.789  2.2612 19.202   1.7295  20.349   2.3523  17.851   2.5517  49.584  3.0408 45.976  3.5683 3.608826       4.688232 
1 1 1 23 12 25 o 30.780  3.1653 7.9261   1.5056  9.4601   1.9903  5.8742   2.3019  33.130  3.9072 24.490  6.0348 8.640650       7.189248 
1 1 1 23 12 26 o 43.998  2.3770 15.726   1.6335  15.684   2.1667  15.781   2.4863  43.320  3.2134 43.005  3.7246 0.3148918      4.919234 
1 1 1 23 12 27 o 25.350  3.7289 5.5472   1.4376  7.4831   1.9577  3.2813   2.1179  28.983  4.4509 18.266  6.1992 10.71684       7.631540 
1 1 1 23 12 28 o 31.989  3.0481 8.5466   1.5101  7.9594   2.0294  9.2749   2.2603  29.854  4.4741 32.134  4.6197 -2.279823      6.431067 
1 1 1 23 12 29 o 14.350  4.9688 1.8225   1.3624  0.7199   1.8015  3.2958   2.0824  12.572  5.3134 18.224  6.1472 -5.652087      8.125244 
1 1 1 23 12 30 o 23.050  4.1465 4.7227   1.4432  3.4942   1.8965  6.4130   2.2245  18.799  5.8298 25.722  5.6694 -6.923212      8.131914 
1 1 1 23 12 31 o 11.247  4.7573 0.4802   1.4461  0.0271   1.8524  1.1872   2.3141  11.554  5.1273 14.221  6.0170 -2.667831      7.905259 
1 1 1 23 12 32 o 16.828  5.2010 2.6967   1.5109  3.0786   2.1038  2.2900   2.1713  17.601  6.1699 15.945  6.1457 1.655821       8.708503 
1 1 1 23 12 33 o 34.951  3.0491 10.243   1.6539  9.3728   2.0885  11.707   2.7087  32.513  4.1954 35.567  4.9957 -3.054680      6.523632 
1 1 1 23 12 34 o 12.337  5.0181 0.9564   1.5226  2.1035   2.1598  -0.1769  2.1468  15.503  6.0857 11.931  5.3892 3.572579       8.128931 
1 1 1 23 12 35 o 33.869  3.1685 9.6979   1.6628  9.3088   2.1340  10.299   2.6528  32.201  4.3377 32.899  5.3257 -0.6975899     6.868712 
1 1 1 23 12 36 o 27.246  3.6429 6.4591   1.5171  6.0200   1.9901  7.0683   2.3439  25.032  5.2395 26.659  5.7755 -1.626862      7.798004 
1 1 1 23 12 37 o 15.870  5.2589 2.4270   1.5249  1.3382   2.1305  3.5708   2.1835  13.955  5.8307 18.410  6.2942 -4.455131      8.579880 
1 1 1 23 12 38 o 15.459  5.2492 2.2984   1.5186  4.7724   2.1141  -0.3389  2.1827  21.341  6.0445 11.665  5.3335 9.676304       8.061122 
1 1 1 23 12 39 o 23.499  4.4088 5.1041   1.5645  5.9074   2.2118  4.2998   2.2131  23.864  5.9365 19.877  6.3168 3.987556       8.668621 
1 1 1 23 12 40 o 31.604  3.4138 8.6698   1.6645  9.3242   2.3308  7.9888   2.3777  31.278  4.9158 28.215  5.5733 3.063097       7.431412 
1 1 1 23 12 41 o 22.602  4.5891 4.8496   1.5705  3.9636   2.1663  5.8311   2.2801  18.867  6.2689 23.175  6.1675 -4.307512      8.794099 
1 1 1 23 12 42 o 13.680  5.2085 1.7211   1.5472  2.3275   2.1637  1.0866   2.2134  15.253  6.0580 13.255  5.7502 1.997832       8.352551 
1 1 1 23 12 43 o 32.026  3.6250 9.1533   1.7879  8.1030   2.7191  9.9532   2.3731  26.597  6.5620 31.922  4.8986 -5.324919      8.188744 
1 1 1 23 13 0  o 64.787  3.7937 34.109   3.8228  34.109   3.8228  34.109   3.8228  64.787  3.7937 64.787  3.7937 0.000000       0.000000 
1 1 1 23 13 1  o 36.572  3.2456 11.114   1.8415  15.317   2.3924  5.0021   2.8847  42.701  3.6077 22.088  7.2289 20.61280       8.079126 
1 1 1 23 13 2  o 35.981  3.3585 10.803   1.8725  11.512   2.2926  9.3811   3.2451  36.659  4.0574 30.693  6.9106 5.965437       8.013619 
1 1 1 23 13 3  o 31.120  4.4738 8.4757   2.1198  7.8345   2.5842  9.7946   3.7063  28.822  5.9176 30.487  7.7408 -1.665232      9.743599 
1 1 1 23 13 4  o 18.239  6.4637 3.1145   2.3140  3.1051   2.6118  3.1490   4.9898  18.325  6.8117 19.845  8.6214 -1.520002      10.98767 
1 1 1 23 13 5  o 22.780  5.8377 4.9416   2.0943  4.8424   2.6076  5.1220   3.5152  21.921  6.8420 21.947  7.9444 -0.2654076E-01 10.48455 
1 1 1 23 13 6  o 44.551  3.2086 16.457   2.2260  11.916   2.9727  22.252   3.3585  36.125  5.4161 50.825  4.2543 -14.70015      6.887168 
1 1 1 23 13 7  o 25.575  4.9893 5.9241   1.9285  2.7436   2.5593  10.102   2.9334  17.573  6.6968 32.751  5.9317 -15.17826      8.946121 
1 1 1 23 13 8  o 35.230  3.4221 10.406   1.8662  7.3920   2.5489  13.889   2.7398  27.813  6.0206 39.888  4.4577 -12.07510      7.491231 
1 1 1 23 13 9  o 10.118  4.5552 -0.4010  1.5192  -1.2064  2.3288  0.1956   2.0044  11.516  5.3516 12.395  5.4230 -0.8793707     7.618954 
1 1 1 23 13 10 o 22.067  4.5174 4.3499   1.5101  5.4238   2.1762  3.3524   2.0973  23.780  5.8725 18.676  6.1664 5.103861       8.515287 
1 1 1 23 13 11 o 17.470  5.1338 2.8205   1.4990  3.5090   2.1389  2.1559   2.1014  19.014  6.2249 15.984  6.0737 3.030818       8.697053 
1 1 1 23 13 12 o 29.710  3.4308 7.4459   1.5685  6.6897   2.1777  8.2610   2.2611  26.848  5.3618 30.246  4.9391 -3.398077      7.289977 
1 1 1 23 13 13 o 45.173  2.4705 16.587   1.7429  14.220   2.4279  19.104   2.5035  40.799  3.8412 47.776  3.3641 -6.976894      5.106087 
1 1 1 23 13 14 o 39.555  2.7228 12.835   1.6781  13.584   2.3419  12.044   2.4059  39.891  3.7904 37.208  4.1980 2.683182       5.655997 
1 1 1 23 13 15 o 23.294  4.2498 4.7998   1.4947  4.9144   2.1427  4.6912   2.0861  22.392  5.9879 21.909  5.9292 0.4824600      8.426781 
1 1 1 23 13 16 o 24.529  4.1742 5.2983   1.5477  7.2073   2.2163  3.4814   2.1621  27.858  5.2679 18.791  6.2637 9.066565       8.184432 
1 1 1 23 13 17 o 16.931  5.2548 2.6836   1.5405  4.0195   2.1722  1.3316   2.1851  20.040  6.2430 14.410  5.9530 5.630120       8.626344 
1 1 1 23 13 18 f 16.875  5.1307 2.6620   1.4778  1.7785   2.0516  3.6147   2.1305  15.007  5.9184 19.055  6.2113 -4.048068      8.579493 
1 1 1 23 13 19 o 15.182  5.1518 2.0866   1.4627  5.3811   2.1483  -0.7608  1.9972  23.425  5.8638 10.979  5.0498 12.44591       7.738496 
1 1 1 23 13 20 f 29.347  3.5016 7.3471   1.5791  6.4484   2.2710  8.1885   2.1973  25.773  5.7652 29.969  4.8419 -4.196623      7.528749 
1 1 1 23 13 21 o 17.550  5.0763 2.9066   1.4760  1.6635   2.0583  4.2225   2.1178  14.716  5.8878 20.454  6.1248 -5.738065      8.495888 
1 1 1 23 13 22 o 35.283  2.9776 10.379   1.6316  8.7650   2.2959  12.027   2.3191  30.905  4.9025 37.089  4.0546 -6.184004      6.361909 
1 1 1 23 13 23 o 19.357  4.8919 3.5161   1.4851  4.4190   2.1086  2.6275   2.0920  20.885  6.0751 16.631  6.1121 4.254343       8.617627 
1 1 1 23 13 24 o 11.989  4.9593 0.7730   1.5193  2.6425   2.1815  -0.9881  2.1173  16.661  6.2189 10.967  5.0986 5.693818       8.041824 
1 1 1 23 13 25 o 21.100  4.5137 4.0799   1.4479  2.3920   1.9014  6.4092   2.2336  15.983  5.8341 25.559  5.7177 -9.575303      8.168771 
1 1 1 23 13 26 o 20.005  4.9610 3.7899   1.5482  5.7615   2.0458  1.1473   2.3684  24.364  5.4880 14.161  6.0427 10.20312       8.162882 
1 1 1 23 13 27 o 9.4789  4.3011 -0.4137  1.3856  -0.8845  1.8664  0.1643   2.0681  10.358  4.8056 12.184  5.4120 -1.826819      7.237651 
1 1 1 23 13 28 o 37.869  2.7230 11.884   1.6058  12.176   2.1549  11.519   2.4079  37.485  3.7160 35.812  4.3803 1.673100       5.744198 
1 1 1 23 13 29 o 28.485  3.5194 7.0024   1.5382  8.8672   2.1161  4.9133   2.2398  31.305  4.4359 21.669  6.2491 9.636093       7.663446 
1 1 1 23 13 30 o 44.275  2.6193 16.189   1.8099  17.109   2.3245  14.773   2.8845  44.828  3.3315 40.167  4.6680 4.661022       5.734855 
1 1 1 23 13 31 o 30.086  3.5510 7.8411   1.6426  9.3580   2.3703  6.4397   2.2783  31.588  4.9491 25.238  5.8692 6.349937       7.677330 
1 1 1 23 13 32 o 10.494  4.5885 0.1649   1.4330  0.3109   1.9234  -0.0171  2.1482  11.946  5.2669 11.993  5.4064 -0.4606247E-01 7.547821 
1 1 1 23 13 33 o 6.8585  3.3996 -2.8107  1.3790  -3.4181  1.7880  -1.9190  2.1664  7.8364  3.8819 10.044  4.8117 -2.207348      6.182426 
1 1 1 23 13 34 o 9.7982  4.4136 -0.2202  1.4282  0.7755   1.9025  -1.5059  2.1619  12.529  5.3828 10.360  4.9192 2.169616       7.291996 
1 1 1 23 13 35 o 13.074  5.0060 1.4504   1.4343  1.3573   1.8903  1.5768   2.2021  13.450  5.5448 14.202  5.9303 -0.7514877     8.118700 
1 1 1 23 13 36 f 30.797  3.3385 8.2306   1.5860  7.3616   2.0843  9.4258   2.4444  27.556  5.0096 31.007  5.2139 -3.450865      7.230510 
1 1 1 23 13 37 o 25.468  3.9966 5.9071   1.5431  5.4248   2.0759  6.5029   2.3070  22.609  5.8218 24.614  6.0271 -2.004471      8.379641 
1 1 1 23 13 38 o 19.687  4.8968 3.8553   1.5050  3.7275   1.9924  4.0250   2.2967  18.302  6.0086 18.553  6.4498 -0.2519112     8.814974 
1 1 1 23 13 39 o 13.000  5.0857 1.5036   1.5041  1.9395   2.0144  0.9542   2.2613  14.265  5.7831 12.959  5.7122 1.306290       8.128538 
1 1 1 23 14 0  o 19.061  7.5340 4.2683   2.1663  4.2683   2.1663  4.2683   2.1663  19.061  7.5340 19.061  7.5340 0.000000       0.000000 
1 1 1 23 14 1  o 24.534  4.5833 5.4541   1.6980  5.9828   2.5503  5.0332   2.2757  24.032  6.5775 22.260  6.2596 1.772614       9.080020 
1 1 1 23 14 2  o 18.330  5.1009 3.1760   1.5194  4.1251   2.1501  2.2292   2.1475  20.191  6.1984 15.915  6.1178 4.276426       8.709038 
1 1 1 23 14 3  o 37.747  3.0985 11.913   1.8174  9.9681   2.3729  14.674   2.8266  33.230  4.6851 40.558  4.5227 -7.328056      6.511856 
1 1 1 23 14 4  f 16.959  5.5443 2.7458   1.6970  3.5327   2.3789  1.9305   2.4216  18.654  6.5597 15.616  6.3372 3.038518       9.120899 
1 1 1 23 14 5  o 10.151  4.6983 -0.8793  1.7682  -0.3572  2.3461  -1.5658  2.6903  12.273  5.5796 11.850  5.5848 0.4231081      7.894412 
1 1 1 23 14 6  o 19.449  5.5024 3.6708   1.7529  4.2912   2.3719  2.9242   2.6021  20.318  6.5483 17.453  6.7275 2.864607       9.388245 
1 1 1 23 14 7  o 33.969  3.7728 9.9615   1.9752  8.0115   2.5711  12.769   3.0852  28.591  5.9309 36.717  5.5316 -8.126129      8.110081 
1 1 1 23 14 8  o 12.050  5.1364 0.5562   1.7078  3.0244   2.4685  -1.7097  2.3652  17.570  6.6042 10.935  5.1786 6.635862       8.392455 
1 1 1 23 14 9  o 16.400  5.5683 2.5518   1.7088  1.3453   2.4448  3.7042   2.3893  14.663  6.1931 18.949  6.5790 -4.285653      9.035373 
1 1 1 23 14 10 o 15.358  5.5577 2.1418   1.7202  0.2381   2.4804  3.9059   2.3877  13.209  5.8932 19.367  6.5821 -6.157266      8.834791 
1 1 1 23 14 11 o 26.933  4.4158 6.5241   1.7998  7.9057   2.6457  5.3340   2.4555  28.065  6.1806 22.531  6.5563 5.533754       9.010239 
1 1 1 23 14 12 o 20.096  5.4856 3.9433   1.7765  6.4058   2.6536  1.9429   2.3916  24.598  6.7000 15.496  6.2946 9.101594       9.193048 
1 1 1 23 14 13 o 10.429  4.6911 -0.2631  1.6068  -1.3900  2.5194  0.5095   2.0860  11.543  5.4293 12.751  5.5568 -1.208187      7.768840 
1 1 1 23 14 14 o 39.384  3.1252 13.036   1.9137  14.237   3.2762  12.414   2.3577  38.543  5.5849 37.577  4.0673 0.9664345      6.908939 
1 1 1 23 14 15 o 21.954  5.2523 4.6340   1.7834  2.1000   2.9537  6.0878   2.2372  16.193  6.8215 24.712  5.8632 -8.519356      8.994999 
1 1 1 23 14 16 o 11.049  4.9251 -0.0557  1.7285  -1.6140  2.9528  0.7566   2.1319  12.235  5.7919 13.161  5.6765 -0.9267788     8.109847 
1 1 1 23 14 17 o 8.1528  3.9753 -2.4426  1.6502  -4.8238  2.8604  -1.2547  2.0203  9.9590  4.9292 10.380  4.8756 -0.4205694     6.933173 
1 1 1 23 14 18 o 14.491  5.4773 1.8307   1.7033  -0.8385  2.9744  3.1333   2.0778  12.890  6.0095 17.589  6.1336 -4.698409      8.586888 
1 1 1 23 14 19 o 11.546  5.0564 0.2628   1.7463  2.1581   2.9255  -0.7864  2.1766  16.140  6.7935 11.252  5.2098 4.887691       8.561131 
1 1 1 23 14 20 o 17.961  5.3158 3.1592   1.6022  4.4930   2.2769  1.8512   2.2548  20.558  6.3898 15.034  6.1101 5.523139       8.840956 
1 1 1 23 14 21 o 12.164  4.9639 0.9307   1.4960  0.6368   2.0562  1.2613   2.1807  12.761  5.5391 13.938  5.8659 -1.177054      8.067879 
1 1 1 23 14 22 o 9.6856  4.4267 -0.5055  1.5018  2.3452   2.1762  -3.0977  2.0751  15.834  6.1386 8.9448  4.3819 6.889067       7.542140 
1 1 1 23 14 23 o 22.139  4.7355 4.6025   1.5938  5.0040   2.2367  4.1883   2.2718  21.767  6.2352 19.743  6.4130 2.024525       8.944501 
1 1 1 23 14 24 o 40.168  2.7861 13.452   1.7436  11.235   2.4014  15.925   2.5356  35.118  4.4628 42.615  3.8367 -7.497143      5.885259 
1 1 1 23 14 25 o 10.389  4.6011 0.0204   1.4843  -1.7690  2.0841  1.8625   2.1145  9.9728  4.7619 14.785  5.9492 -4.812515      7.620270 
1 1 1 23 14 26 o 12.560  5.0537 1.1324   1.5258  -0.5501  2.1251  2.9222   2.1919  11.269  5.1928 16.849  6.2447 -5.580215      8.121683 
1 1 1 23 14 27 o 16.076  5.3230 2.5509   1.5624  1.5205   2.2220  3.5585   2.1973  14.224  5.9498 18.169  6.3091 -3.944606      8.672108 
1 1 1 23 14 28 o 10.060  4.5227 -0.1642  1.4913  -0.6141  2.0741  0.3172   2.1456  11.020  5.0964 12.300  5.4849 -1.279985      7.487160 
1 1 1 23 14 29 f 13.829  5.2391 1.7180   1.5606  1.6799   2.1811  1.7581   2.2340  14.332  5.9363 14.514  6.0094 -0.1813345     8.447049 
1 1 1 23 14 30 o 15.925  5.4870 2.5701   1.6604  2.4253   2.5175  2.6815   2.2090  15.720  6.4299 16.092  6.1998 -0.3723860     8.932032 
1 1 1 23 14 31 o 36.193  3.0906 11.220   1.7368  10.255   2.4253  12.236   2.4881  32.656  4.8878 36.212  4.4784 -3.555931      6.629277 
1 1 1 23 14 32 o 10.511  4.6832 0.0883   1.5608  1.3390   2.1902  -1.2022  2.2248  13.582  5.8036 10.612  5.0249 2.969637       7.676691 
1 1 1 23 14 33 o 30.316  3.5972 8.1859   1.6762  11.491   2.3977  5.0264   2.3442  34.872  4.4904 20.674  6.4929 14.19803       7.894419 
1 1 1 23 14 34 o 8.3601  4.0251 -1.6081  1.5596  -2.7848  2.1817  -0.3785  2.2302  9.1676  4.4915 11.305  5.2479 -2.137047      6.907542 
1 1 1 23 14 35 o 17.864  5.7529 3.5734   1.8310  3.1444   2.4417  4.1246   2.7677  16.300  6.4476 17.778  6.9143 -1.478111      9.454092 
1 1 1 23 15 0  o 13.531  7.3941 2.4316   2.2356  2.4316   2.2356  2.4316   2.2356  13.531  7.3941 13.531  7.3941 0.000000       0.000000 
1 1 1 23 15 1  o 12.475  5.0792 1.0281   1.5618  0.9086   2.2434  1.1405   2.1755  13.467  5.8157 13.709  5.8190 -0.2416935     8.226981 
1 1 1 23 15 2  f 14.235  5.2973 1.7969   1.5804  2.2534   2.2294  1.3356   2.2408  15.677  6.1736 14.110  5.9427 1.566414       8.569098 
1 1 1 23 15 3  o 8.1070  3.9529 -2.3839  1.6316  1.6615   2.2123  -7.2076  2.4158  14.605  6.0071 7.7976  3.9491 6.807772       7.188894 
1 1 1 23 15 4  o 20.416  5.1031 4.0335   1.6288  4.1164   2.3069  3.9512   2.3001  19.547  6.4678 19.179  6.4605 0.3679142      9.141708 
1 1 1 23 15 5  o 21.938  4.8648 4.5607   1.6292  5.2420   2.3339  3.9132   2.2753  22.158  6.3758 19.111  6.4256 3.046986       9.052011 
1 1 1 23 15 6  o 9.1378  4.2934 -1.1013  1.5683  -3.0077  2.2027  0.8584   2.2333  9.3499  4.5664 13.364  5.7867 -4.013613      7.371435 
1 1 1 23 15 7  o 28.109  4.0010 7.0294   1.7133  4.1409   2.6454  9.1163   2.2486  19.265  6.9021 31.380  4.7169 -12.11478      8.359872 
1 1 1 23 15 8  o 20.940  4.9351 4.1940   1.5935  5.8169   2.2655  2.6047   2.2419  23.693  6.0716 16.317  6.2559 7.376312       8.717876 
1 1 1 23 15 9  o 22.943  4.6540 4.9152   1.6167  4.2290   2.3000  5.5855   2.2730  19.764  6.4542 23.088  6.1643 -3.323689      8.924993 
1 1 1 23 15 10 o 20.092  4.9965 3.8929   1.5671  5.1762   2.2362  2.6543   2.1969  22.139  6.1977 16.381  6.2136 5.758595       8.776082 
1 1 1 23 15 11 o 21.530  4.9219 4.4326   1.6251  3.8996   2.3591  4.9139   2.2417  18.927  6.5392 21.460  6.2700 -2.533009      9.059520 
1 1 1 23 15 12 o 22.622  4.6932 4.8057   1.6099  3.9222   2.2886  5.6711   2.2650  19.026  6.4441 23.265  6.1259 -4.238909      8.891187 
1 1 1 23 15 13 o 45.588  2.5935 17.196   1.8458  14.099   2.6184  20.255   2.6024  39.514  4.2962 48.539  3.4424 -9.024704      5.505218 
1 1 1 23 15 14 o 18.809  5.2009 3.4883   1.5850  2.4552   2.2725  4.4667   2.2116  15.959  6.2490 20.365  6.2922 -4.406242      8.867984 
1 1 1 23 15 15 o 17.731  5.4972 3.1712   1.6865  3.9990   2.2407  2.0894   2.5613  19.185  6.3756 15.491  6.4260 3.693644       9.052211 
1 1 1 23 15 16 o 22.694  4.8555 4.9137   1.6752  1.7612   2.1843  9.4159   2.6104  14.604  5.9834 30.790  5.6150 -16.18552      8.205441 
1 1 1 23 15 17 o 13.042  5.2274 1.3012   1.6256  1.5569   2.2152  1.0028   2.3929  14.271  5.9527 13.673  5.9552 0.5981712      8.420115 
1 1 1 23 15 18 o 28.464  4.2900 7.3980   1.8549  6.6853   2.5750  8.1668   2.6742  24.677  6.5480 27.769  6.2889 -3.091698      9.078914 
1 1 1 23 15 19 f 26.308  4.6397 6.4937   1.8436  7.0580   2.5769  5.9020   2.6387  25.477  6.4467 22.656  6.8486 2.821407       9.405485 
1 1 1 23 15 20 o 8.6459  4.1741 -1.9416  1.7043  -1.3930  2.3442  -2.5566  2.4821  10.853  5.1445 10.252  4.9706 0.6009979      7.153510 
1 1 1 23 15 21 o 13.436  5.3778 1.4784   1.7178  1.0959   2.3087  1.9528   2.5712  13.562  5.8780 15.078  6.3589 -1.516939      8.659511 
1 1 1 23 15 22 o 22.437  4.6020 4.7805   1.5644  5.2381   2.1787  4.2935   2.2476  21.993  6.1037 19.542  6.3803 2.450979       8.829669 
1 1 1 23 15 23 o 31.153  3.3883 8.4605   1.6281  7.3005   2.2257  9.7955   2.3877  26.889  5.4662 31.879  4.9375 -4.989599      7.366020 
1 1 1 23 15 24 o 30.088  3.5341 7.9827   1.6352  6.9600   2.2353  9.1601   2.3984  25.953  5.6542 30.429  5.2156 -4.475990      7.692328 
1 1 1 23 15 25 o 21.373  4.6370 4.4099   1.5090  5.0333   2.0647  3.6950   2.2109  21.525  5.9295 17.986  6.3238 3.539421       8.668887 
1 1 1 23 15 26 o 17.055  5.1636 2.9903   1.4991  3.0981   1.9940  2.8503   2.2735  16.763  5.9938 16.123  6.2678 0.6403713      8.672366 
1 1 1 23 15 27 o 14.665  5.3673 2.1754   1.6109  1.3549   2.0741  3.4228   2.5575  13.331  5.6708 16.969  6.6334 -3.637358      8.726961 
1 1 1 23 15 28 o 10.785  4.8280 0.1622   1.6797  0.6892   2.0873  -0.8063  2.8296  12.297  5.4506 11.934  5.6556 0.3624735      7.854605 
1 1 1 23 15 29 o 7.5948  3.7504 -2.7408  1.6225  -2.3942  2.0358  -3.3443  2.6862  9.0179  4.4011 9.8882  4.8720 -0.8702688     6.565529 
1 1 1 23 15 30 o 11.524  5.1611 0.4277   1.9218  -1.0881  2.2743  4.2129   3.5940  10.561  5.0239 17.112  7.3753 -6.550152      8.923820 
1 1 1 23 15 31 o 13.492  5.4303 1.7836   1.7623  2.0305   2.0572  1.1031   3.4159  14.074  5.7910 13.833  6.4461 0.2406645      8.665350 
1 1 1 23 16 0  o 13.581  7.6784 2.5114   2.5112  2.5114   2.5112  2.5114   2.5112  13.581  7.6784 13.581  7.6784 0.000000       0.000000 
1 1 1 23 16 1  f 19.376  5.2391 3.7776   1.6296  2.0772   2.3499  5.3527   2.2617  15.095  6.1977 22.116  6.2478 -7.020726      8.800375 
1 1 1 23 16 2  o 27.263  3.9160 6.6803   1.6256  4.9209   2.2937  8.4559   2.3043  20.986  6.3946 29.406  5.1882 -8.419949      8.234573 
1 1 1 23 16 3  o 21.251  5.1384 4.4811   1.6930  4.1814   2.2765  4.8519   2.5325  19.274  6.4274 20.372  6.7785 -1.098019      9.341279 
1 1 1 23 16 4  o 34.053  3.3798 10.064   1.7804  8.7120   2.3969  11.729   2.6591  29.657  5.3525 34.921  5.0001 -5.263962      7.324624 
1 1 1 23 16 5  o 28.923  3.9881 7.5494   1.7602  6.9421   2.5582  8.0954   2.4255  25.059  6.4681 28.172  5.6881 -3.112581      8.613428 
1 1 1 23 16 6  o 11.435  4.9669 0.4730   1.6555  0.3642   2.5302  0.5545   2.1891  12.924  5.8431 12.595  5.5825 0.3290758      8.081221 
1 1 1 23 16 7  o 35.777  3.2584 11.041   1.8075  9.3773   2.5477  12.727   2.5647  30.546  5.5236 36.955  4.5213 -6.408913      7.138114 
1 1 1 23 16 8  o 11.891  5.0103 0.8129   1.5939  0.8809   2.2496  0.7444   2.2588  13.113  5.7410 12.940  5.7062 0.1728439      8.094370 
1 1 1 23 16 9  o 19.298  5.2504 3.7759   1.6307  4.5457   2.3363  3.0447   2.2771  19.913  6.5050 16.746  6.3322 3.167028       9.078117 
1 1 1 23 16 10 o 9.7988  4.4900 -0.4297  1.5585  -0.1792  2.1995  -0.6822  2.2087  11.662  5.3403 11.138  5.1878 0.5244169      7.445260 
1 1 1 23 16 11 o 10.305  4.6309 -0.0707  1.5614  1.7350   2.3206  -1.5644  2.1107  14.398  6.0549 10.054  4.7985 4.343357       7.725716 
1 1 1 23 16 12 o 19.793  5.1373 3.9483   1.6079  5.8926   2.3044  2.1034   2.2447  23.107  6.2228 14.919  6.0836 8.187525       8.702467 
1 1 1 23 16 13 o 23.778  4.6278 5.4115   1.6630  4.7822   2.3132  6.0846   2.3924  20.354  6.4569 23.261  6.3724 -2.907467      9.071878 
1 1 1 23 16 14 o 30.439  3.6338 8.2409   1.6997  9.7048   2.4079  6.7871   2.3996  31.450  5.0551 24.878  6.1804 6.572245       7.984426 
1 1 1 23 16 15 o 17.473  5.3754 3.1892   1.6161  4.2941   2.2995  2.1108   2.2718  19.153  6.4596 14.840  6.0935 4.312938       8.880207 
1 1 1 23 16 16 o 18.396  5.2652 3.5080   1.5955  2.6108   2.2548  4.4077   2.2579  15.670  6.1968 19.426  6.3974 -3.756209      8.906593 
1 1 1 23 16 17 o 9.2245  4.3122 -0.7873  1.5482  -0.3225  2.1941  -1.2483  2.1850  11.339  5.2432 10.406  4.9425 0.9332314      7.205561 
1 1 1 23 16 18 f 30.750  3.5080 8.4027   1.6608  8.2232   2.3415  8.5845   2.3560  28.191  5.4958 28.954  5.3888 -0.7637711     7.696946 
1 1 1 23 16 19 o 11.597  4.9308 0.7981   1.5666  -0.2694  2.1921  1.9126   2.2398  11.326  5.2382 14.296  5.9762 -2.970237      7.946970 
1 1 1 23 16 20 o 14.955  5.6551 2.3597   1.8162  3.1629   2.4297  1.3426   2.7342  16.373  6.4459 13.843  6.1807 2.529954       8.930353 
1 1 1 23 16 21 o 12.504  5.3051 1.1466   1.8070  4.1627   2.3449  -3.2633  2.8354  18.316  6.5050 10.213  5.0269 8.103415       8.220954 
1 1 1 23 16 22 o 32.542  4.0963 9.9231   2.0434  9.0925   2.6684  11.101   3.1775  28.358  6.1772 30.323  6.8464 -1.965258      9.221180 
1 1 1 23 16 23 o 13.361  5.4769 1.6755   1.8314  4.2702   2.4515  -1.6018  2.7551  18.129  6.6233 11.007  5.3121 7.122101       8.490345 
1 1 1 23 16 24 o 9.8512  4.6510 -0.8407  1.8806  -1.7423  2.2460  1.2735   3.4395  9.8798  4.7751 13.935  6.4850 -4.055099      8.053370 
1 1 1 23 16 25 o 13.915  5.7544 2.0210   2.0448  2.1104   2.4284  1.8031   3.7907  14.174  6.0852 14.400  6.7366 -0.2258224     9.078045 
1 1 1 23 17 0  f 11.515  6.9871 1.6015   2.3421  1.6015   2.3421  1.6015   2.3421  11.515  6.9871 11.515  6.9871 0.000000       0.000000 
1 1 1 23 17 1  o 11.842  5.0272 0.9171   1.6241  1.0381   2.3620  0.8085   2.2368  13.036  5.7874 12.585  5.6068 0.4515734      8.057958 
1 1 1 23 17 2  o 9.8412  4.5374 -0.3928  1.6257  -0.4322  2.3267  -0.3553  2.2725  11.328  5.2924 11.306  5.2648 0.2173042E-01  7.465090 
1 1 1 23 17 3  o 9.1845  4.3355 -0.9641  1.6329  -3.5894  2.2917  1.7432   2.3272  8.8734  4.3955 13.960  5.9742 -5.086589      7.416985 
1 1 1 23 17 4  o 21.874  4.9482 4.8590   1.6571  4.7582   2.3488  4.9589   2.3382  19.595  6.5284 20.077  6.5047 -0.4821434     9.215799 
1 1 1 23 17 5  o 17.067  5.7522 3.2879   1.8234  3.9909   2.6126  2.6203   2.5460  17.587  6.7509 15.333  6.3874 2.254242       9.293714 
1 1 1 23 17 6  o 27.536  4.3558 7.2569   1.8177  12.674   2.8363  3.4809   2.3680  35.018  5.3352 16.847  6.4365 18.17040       8.360196 
1 1 1 23 17 7  o 17.078  5.4922 3.2117   1.6692  1.3618   2.3054  5.2503   2.4201  13.334  5.8254 20.442  6.6172 -7.108112      8.816070 
1 1 1 23 17 8  o 9.9457  4.6084 -0.4438  1.7081  -2.2703  2.2432  2.0766   2.6350  9.5598  4.6555 14.503  6.2828 -4.942727      7.819680 
1 1 1 23 17 9  o 13.362  5.3980 1.6890   1.7484  4.3554   2.3048  -1.9254  2.6834  18.623  6.4619 10.681  5.1760 7.942003       8.279284 
1 1 1 23 17 10 o 16.861  5.8447 3.2982   1.8853  3.6937   2.5246  2.7995   2.8349  16.945  6.5999 15.431  6.5984 1.514859       9.332612 
1 1 1 23 17 11 o 15.362  5.7867 2.6728   1.8972  3.9292   2.5656  1.1569   2.8182  17.269  6.6736 13.430  6.1094 3.839104       9.047709 
1 1 1 23 17 12 o 10.471  4.9597 -0.8598  2.1706  0.6260   2.6666  -3.7779  3.7369  12.693  5.8370 11.233  5.5727 1.459885       8.070091 
1 1 1 23 17 13 o 17.168  6.3998 3.7789   2.3087  4.6654   2.9141  2.2844   3.7836  17.948  7.0614 14.878  6.8815 3.069897       9.859939 
1 1 1 23 17 14 o 13.460  5.7881 1.6842   2.2035  2.4497   2.7703  0.3658   3.6356  14.725  6.4107 13.286  6.3288 1.439362       9.008337 
1 1 1 23 17 15 o 13.646  5.8496 1.8338   2.2377  3.8211   2.8295  -1.4847  3.6563  16.525  6.7947 12.113  5.9086 4.412109       9.004427 
1 1 1 23 17 16 o 17.633  6.2641 4.0114   2.1746  3.5950   2.6953  4.7878   3.6807  16.186  6.6406 16.975  7.3897 -0.7892303     9.935044 
1 1 1 24 0  0  o 87.079  2.9216 59.696   3.9781  59.696   3.9781  59.696   3.9781  87.079  2.9216 87.079  2.9216 0.000000       0.000000 
1 1 1 24 0  1  o 46.275  2.7587 16.993   1.9850  16.993   1.9850  16.993   1.9850  46.275  2.7587 46.275  2.7587 0.000000       0.000000 
1 1 1 24 0  2  o 71.989  2.1987 40.782   2.4761  40.782   2.4761  40.782   2.4761  71.989  2.1987 71.989  2.1987 0.000000       0.000000 
1 1 1 24 0  3  o 93.774  2.0613 69.097   3.0270  69.097   3.0270  69.097   3.0270  93.774  2.0613 93.774  2.0613 0.000000       0.000000 
1 1 1 24 0  4  o 56.671  2.4025 25.344   2.1257  25.344   2.1257  25.344   2.1257  56.671  2.4025 56.671  2.4025 0.000000       0.000000 
1 1 1 24 0  5  o 22.629  5.7289 4.7322   1.7574  4.7322   1.7574  4.7322   1.7574  22.629  5.7289 22.629  5.7289 0.000000       0.000000 
1 1 1 24 0  6  o 61.933  2.3437 30.235   2.2681  30.235   2.2681  30.235   2.2681  61.933  2.3437 61.933  2.3437 0.000000       0.000000 
1 1 1 24 0  7  o 34.063  3.3587 9.3818   1.7535  9.3818   1.7535  9.3818   1.7535  34.063  3.3587 34.063  3.3587 0.000000       0.000000 
1 1 1 24 0  8  o 85.032  2.1361 56.847   2.8434  56.847   2.8434  56.847   2.8434  85.032  2.1361 85.032  2.1361 0.000000       0.000000 
1 1 1 24 0  9  o 7.9081  5.1845 -0.2405  1.6053  -0.2405  1.6053  -0.2405  1.6053  7.9081  5.1845 7.9081  5.1845 0.000000       0.000000 
1 1 1 24 0  10 o 40.005  3.0380 12.790   1.8800  12.790   1.8800  12.790   1.8800  40.005  3.0380 40.005  3.0380 0.000000       0.000000 
1 1 1 24 0  11 o 11.488  6.3277 1.4496   1.6523  1.4496   1.6523  1.4496   1.6523  11.488  6.3277 11.488  6.3277 0.000000       0.000000 
1 1 1 24 0  12 o 122.204 1.9991 117.282  3.8274  117.282  3.8274  117.282  3.8274  122.204 1.9991 122.204 1.9991 0.000000       0.000000 
1 1 1 24 0  13 o 20.634  5.8529 4.0730   1.6400  4.0730   1.6400  4.0730   1.6400  20.634  5.8529 20.634  5.8529 0.000000       0.000000 
1 1 1 24 0  14 o 67.721  2.2442 36.119   2.3766  36.119   2.3766  36.119   2.3766  67.721  2.2442 67.721  2.2442 0.000000       0.000000 
1 1 1 24 0  15 o 85.119  2.0710 56.966   2.7598  56.966   2.7598  56.966   2.7598  85.119  2.0710 85.119  2.0710 0.000000       0.000000 
1 1 1 24 0  16 o 49.510  2.5585 19.407   1.9737  19.407   1.9737  19.407   1.9737  49.510  2.5585 49.510  2.5585 0.000000       0.000000 
1 1 1 24 0  17 o 132.926 2.0318 138.782  4.2317  138.782  4.2317  138.782  4.2317  132.926 2.0318 132.926 2.0318 0.000000       0.000000 
1 1 1 24 0  18 o 55.605  2.6681 24.461   2.3136  24.461   2.3136  24.461   2.3136  55.605  2.6681 55.605  2.6681 0.000000       0.000000 
1 1 1 24 0  19 o 108.781 2.0075 92.979   3.4208  92.979   3.4208  92.979   3.4208  108.781 2.0075 108.781 2.0075 0.000000       0.000000 
1 1 1 24 0  20 o 61.602  2.3180 29.929   2.2313  29.929   2.2313  29.929   2.2313  61.602  2.3180 61.602  2.3180 0.000000       0.000000 
1 1 1 24 0  21 o 53.320  2.7001 22.516   2.2438  22.516   2.2438  22.516   2.2438  53.320  2.7001 53.320  2.7001 0.000000       0.000000 
1 1 1 24 0  22 o 68.335  2.2040 36.786   2.3555  36.786   2.3555  36.786   2.3555  68.335  2.2040 68.335  2.2040 0.000000       0.000000 
1 1 1 24 0  23 o 4.2564  3.1377 -4.6636  1.5256  -4.6636  1.5256  -4.6636  1.5256  4.2564  3.1377 4.2564  3.1377 0.000000       0.000000 
1 1 1 24 0  24 o 13.871  6.7380 2.2572   1.7171  2.2572   1.7171  2.2572   1.7171  13.871  6.7380 13.871  6.7380 0.000000       0.000000 
1 1 1 24 0  25 o 47.280  2.8383 17.772   2.0863  17.772   2.0863  17.772   2.0863  47.280  2.8383 47.280  2.8383 0.000000       0.000000 
1 1 1 24 0  26 o 12.073  6.5018 1.6619   1.7050  1.6619   1.7050  1.6619   1.7050  12.073  6.5018 12.073  6.5018 0.000000       0.000000 
1 1 1 24 0  27 o 100.058 2.1839 78.764   3.4219  78.764   3.4219  78.764   3.4219  100.058 2.1839 100.058 2.1839 0.000000       0.000000 
1 1 1 24 0  28 o 57.099  3.0545 25.890   2.7163  25.890   2.7163  25.890   2.7163  57.099  3.0545 57.099  3.0545 0.000000       0.000000 
1 1 1 24 0  29 o 8.4061  5.6062 -0.6107  2.0108  -0.6107  2.0108  -0.6107  2.0108  8.4061  5.6062 8.4061  5.6062 0.000000       0.000000 
1 1 1 24 0  30 o 65.787  2.5360 34.190   2.6065  34.190   2.6065  34.190   2.6065  65.787  2.5360 65.787  2.5360 0.000000       0.000000 
1 1 1 24 0  31 o 26.682  5.0543 6.2086   1.8932  6.2086   1.8932  6.2086   1.8932  26.682  5.0543 26.682  5.0543 0.000000       0.000000 
1 1 1 24 0  32 o 74.023  2.4126 43.230   2.7929  43.230   2.7929  43.230   2.7929  74.023  2.4126 74.023  2.4126 0.000000       0.000000 
1 1 1 24 0  33 o 6.6537  4.6817 -2.1154  1.9065  -2.1154  1.9065  -2.1154  1.9065  6.6537  4.6817 6.6537  4.6817 0.000000       0.000000 
1 1 1 24 0  34 o 54.859  2.6869 23.863   2.2981  23.863   2.2981  23.863   2.2981  54.859  2.6869 54.859  2.6869 0.000000       0.000000 
1 1 1 24 0  35 o 29.827  4.1908 7.4453   1.8485  7.4453   1.8485  7.4453   1.8485  29.827  4.1908 29.827  4.1908 0.000000       0.000000 
1 1 1 24 0  36 o 9.4028  5.8861 0.4384   1.7895  0.4384   1.7895  0.4384   1.7895  9.4028  5.8861 9.4028  5.8861 0.000000       0.000000 
1 1 1 24 0  37 o 46.437  2.8814 17.194   2.0790  17.194   2.0790  17.194   2.0790  46.437  2.8814 46.437  2.8814 0.000000       0.000000 
1 1 1 24 0  38 o 6.8001  4.6571 -0.9982  1.5802  -0.9982  1.5802  -0.9982  1.5802  6.8001  4.6571 6.8001  4.6571 0.000000       0.000000 
1 1 1 24 0  39 o 57.908  2.5348 26.567   2.2911  26.567   2.2911  26.567   2.2911  57.908  2.5348 57.908  2.5348 0.000000       0.000000 
1 1 1 24 0  40 o 41.027  3.1755 13.537   2.0142  13.537   2.0142  13.537   2.0142  41.027  3.1755 41.027  3.1755 0.000000       0.000000 
1 1 1 24 0  41 o 35.989  3.2582 10.492   1.8036  10.492   1.8036  10.492   1.8036  35.989  3.2582 35.989  3.2582 0.000000       0.000000 
1 1 1 24 0  42 o 7.0625  4.7180 -0.4476  1.4346  -0.4476  1.4346  -0.4476  1.4346  7.0625  4.7180 7.0625  4.7180 0.000000       0.000000 
1 1 1 24 0  43 f 14.539  6.3953 2.4552   1.5265  2.4552   1.5265  2.4552   1.5265  14.539  6.3953 14.539  6.3953 0.000000       0.000000 
1 1 1 24 0  44 o 68.326  2.0955 36.869   2.2398  36.869   2.2398  36.869   2.2398  68.326  2.0955 68.326  2.0955 0.000000       0.000000 
1 1 1 24 0  45 o 47.419  2.5500 17.908   1.8831  17.908   1.8831  17.908   1.8831  47.419  2.5500 47.419  2.5500 0.000000       0.000000 
1 1 1 24 0  46 o 29.853  3.6281 7.3953   1.6311  7.3953   1.6311  7.3953   1.6311  29.853  3.6281 29.853  3.6281 0.000000       0.000000 
1 1 1 24 0  47 o 34.315  3.1972 9.5892   1.6856  9.5892   1.6856  9.5892   1.6856  34.315  3.1972 34.315  3.1972 0.000000       0.000000 
1 1 1 24 0  48 o 19.033  6.0718 3.7045   1.5961  3.7045   1.5961  3.7045   1.5961  19.033  6.0718 19.033  6.0718 0.000000       0.000000 
1 1 1 24 0  49 o 5.6034  3.9780 -1.9000  1.4820  -1.9000  1.4820  -1.9000  1.4820  5.6034  3.9780 5.6034  3.9780 0.000000       0.000000 
1 1 1 24 0  50 o 5.0338  3.6321 -2.5972  1.4582  -2.5972  1.4582  -2.5972  1.4582  5.0338  3.6321 5.0338  3.6321 0.000000       0.000000 
1 1 1 24 0  51 o 6.9219  4.7295 -0.8712  1.6088  -0.8712  1.6088  -0.8712  1.6088  6.9219  4.7295 6.9219  4.7295 0.000000       0.000000 
1 1 1 24 0  52 o 15.422  6.4942 2.7942   1.5822  2.7942   1.5822  2.7942   1.5822  15.422  6.4942 15.422  6.4942 0.000000       0.000000 
1 1 1 24 0  53 o 26.298  4.4231 6.0502   1.6685  6.0502   1.6685  6.0502   1.6685  26.298  4.4231 26.298  4.4231 0.000000       0.000000 
1 1 1 24 0  54 o 45.185  2.7204 16.443   1.9110  16.443   1.9110  16.443   1.9110  45.185  2.7204 45.185  2.7204 0.000000       0.000000 
1 1 1 24 0  55 o 8.4009  5.3719 0.2731   1.5841  0.2731   1.5841  0.2731   1.5841  8.4009  5.3719 8.4009  5.3719 0.000000       0.000000 
1 1 1 24 0  56 f 15.523  6.8902 2.9776   1.7713  2.9776   1.7713  2.9776   1.7713  15.523  6.8902 15.523  6.8902 0.000000       0.000000 
1 1 1 24 0  57 o 35.787  3.2503 10.559   1.7889  10.559   1.7889  10.559   1.7889  35.787  3.2503 35.787  3.2503 0.000000       0.000000 
1 1 1 24 0  58 o 6.6151  4.5757 -1.0973  1.6173  -1.0973  1.6173  -1.0973  1.6173  6.6151  4.5757 6.6151  4.5757 0.000000       0.000000 
1 1 1 24 0  59 o 12.177  6.6146 1.9279   1.7789  1.9279   1.7789  1.9279   1.7789  12.177  6.6146 12.177  6.6146 0.000000       0.000000 
1 1 1 24 0  60 o 25.232  5.4276 5.9784   1.8842  5.9784   1.8842  5.9784   1.8842  25.232  5.4276 25.232  5.4276 0.000000       0.000000 
1 1 1 24 0  61 o 43.932  3.1376 15.836   2.1356  15.836   2.1356  15.836   2.1356  43.932  3.1376 43.932  3.1376 0.000000       0.000000 
1 1 1 24 0  62 o 7.4544  5.0843 -0.7413  1.8409  -0.7413  1.8409  -0.7413  1.8409  7.4544  5.0843 7.4544  5.0843 0.000000       0.000000 
1 1 1 24 0  63 o 29.100  4.5845 7.5716   1.9363  7.5716   1.9363  7.5716   1.9363  29.100  4.5845 29.100  4.5845 0.000000       0.000000 
1 1 1 24 0  64 o 7.7120  5.3151 -1.0228  2.1349  -1.0228  2.1349  -1.0228  2.1349  7.7120  5.3151 7.7120  5.3151 0.000000       0.000000 
1 1 1 24 1  0  o 10.378  6.0329 1.0362   1.6138  1.0362   1.6138  1.0362   1.6138  10.378  6.0329 10.378  6.0329 0.000000       0.000000 
1 1 1 24 1  1  o 23.308  3.3754 4.3785   1.1975  1.9807   1.6390  7.1237   1.7537  16.223  5.4537 29.757  3.8497 -13.53365      6.675517 
1 1 1 24 1  2  o 52.882  1.7773 21.968   1.4734  21.122   2.0535  22.864   2.1152  51.798  2.5289 53.893  2.5036 -2.095428      3.558580 
1 1 1 24 1  3  o 99.993  1.4193 78.481   2.2248  78.744   3.1336  78.214   3.1591  100.092 1.9971 99.752  2.0202 0.3403778      2.840668 
1 1 1 24 1  4  o 9.2550  4.1168 -0.4446  1.2009  -1.3245  1.6052  0.6740   1.8099  9.6673  4.4752 13.599  5.4926 -3.931211      7.084939 
1 1 1 24 1  5  o 12.885  4.5680 1.1482   1.1558  2.4023   1.6227  -0.1433  1.6467  17.359  5.3941 11.561  4.9876 5.798156       7.346575 
1 1 1 24 1  6  o 34.913  2.3601 9.6356   1.2842  8.2972   1.7577  11.168   1.8808  32.204  3.5400 37.472  3.2333 -5.267803      4.794391 
1 1 1 24 1  7  o 44.178  2.0657 15.345   1.4307  17.157   2.1014  13.780   1.9532  46.557  2.8935 41.687  3.0090 4.870094       4.174531 
1 1 1 24 1  8  o 62.002  1.6200 30.190   1.5746  30.350   2.2244  30.029   2.2292  62.107  2.2846 61.777  2.3018 0.3306236      3.243141 
1 1 1 24 1  9  o 87.267  1.4511 59.786   1.9852  58.960   2.7818  60.643   2.8341  86.595  2.0492 87.821  2.0585 -1.226036      2.904592 
1 1 1 24 1  10 o 69.052  1.5566 37.443   1.6850  36.649   2.3727  38.251   2.3933  68.252  2.2176 69.731  2.1893 -1.479019      3.116212 
1 1 1 24 1  11 o 122.829 1.4236 118.442  2.7413  111.793  3.7494  126.078  4.0181  119.240 2.0058 126.627 2.0241 -7.386154      2.849613 
1 1 1 24 1  12 o 66.842  1.5717 35.088   1.6469  36.120   2.3356  34.068   2.3225  67.754  2.1989 65.796  2.2517 1.958336       3.147251 
1 1 1 24 1  13 o 16.806  4.3565 2.3311   1.1573  -1.3063  1.6162  6.1584   1.6579  9.7229  4.4973 27.590  3.9455 -17.86715      5.982678 
1 1 1 24 1  14 o 51.580  1.7749 20.907   1.4352  18.846   1.9783  23.198   2.0852  48.831  2.5936 54.268  2.4510 -5.436813      3.568491 
1 1 1 24 1  15 o 73.660  1.5052 42.610   1.7381  41.477   2.4300  43.797   2.4872  72.604  2.1349 74.609  2.1265 -2.004158      3.013268 
1 1 1 24 1  16 o 74.961  1.5102 44.131   1.7747  45.858   2.5225  42.439   2.4974  76.342  2.1077 73.433  2.1694 2.909264       3.024673 
1 1 1 24 1  17 o 70.055  1.5375 38.548   1.6885  38.300   2.3826  38.799   2.3932  69.755  2.1788 70.209  2.1744 -0.4536972     3.078174 
1 1 1 24 1  18 o 69.767  1.5354 38.234   1.6793  40.085   2.4211  36.518   2.3311  71.360  2.1643 68.109  2.1832 3.250969       3.074154 
1 1 1 24 1  19 o 34.322  2.3673 9.3252   1.2659  9.9310   1.7940  8.7245   1.7866  35.270  3.2823 32.994  3.5080 2.276009       4.804107 
1 1 1 24 1  20 o 73.139  1.5382 42.025   1.7637  39.250   2.4318  45.105   2.5618  70.600  2.1972 75.689  2.1590 -5.088608      3.080439 
1 1 1 24 1  21 o 21.826  3.4952 3.8699   1.1555  2.7110   1.6232  5.0608   1.6454  18.173  5.3426 24.826  4.3883 -6.653456      6.913836 
1 1 1 24 1  22 o 24.458  3.1156 4.8089   1.1674  3.8529   1.6179  5.8475   1.6863  21.497  4.9086 26.782  4.1507 -5.284317      6.428253 
1 1 1 24 1  23 o 86.555  1.4584 58.853   1.9789  61.827   2.8630  56.132   2.7385  88.617  2.0609 84.435  2.0689 4.181587       2.920165 
1 1 1 24 1  24 o 18.193  4.0428 2.7407   1.1231  3.6512   1.6094  1.8764   1.5680  20.899  4.9826 15.740  5.3341 5.159544       7.299253 
1 1 1 24 1  25 o 22.791  3.2973 4.2025   1.1438  2.9859   1.6121  5.4359   1.6232  18.938  5.2483 25.781  4.1577 -6.843216      6.695617 
1 1 1 24 1  26 o 68.636  1.5620 37.029   1.6807  36.598   2.3653  37.469   2.3888  68.140  2.2142 68.946  2.2101 -0.8063660     3.128462 
1 1 1 24 1  27 o 83.848  1.4662 55.247   1.9273  52.315   2.6666  58.454   2.7887  81.487  2.0874 86.140  2.0651 -4.653152      2.936342 
1 1 1 24 1  28 o 90.049  1.5767 63.752   2.2258  60.706   3.0863  67.053   3.2130  87.736  2.2439 92.215  2.2226 -4.478157      3.158338 
1 1 1 24 1  29 o 48.849  1.9997 18.798   1.5313  17.153   2.1610  20.457   2.1703  46.429  2.9849 50.778  2.7365 -4.348370      4.049440 
1 1 1 24 1  30 o 40.353  2.3928 12.901   1.5069  14.299   2.2455  11.757   2.0325  42.263  3.4186 38.296  3.4216 3.966991       4.836713 
1 1 1 24 1  31 o 67.674  2.0980 36.107   2.2258  34.611   3.0616  37.784   3.2416  66.070  2.9559 69.020  2.9959 -2.950790      4.208634 
1 1 1 24 1  32 o 17.977  4.9164 2.7015   1.4254  0.7309   1.8305  5.7371   2.2720  13.630  5.5174 26.011  5.7268 -12.38062      7.952235 
1 1 1 24 1  33 o 47.973  2.2115 18.164   1.6632  18.626   2.3641  17.711   2.3404  48.315  3.1382 47.095  3.1888 1.220196       4.474058 
1 1 1 24 1  34 o 73.974  2.1295 43.177   2.4696  42.808   2.9808  43.984   4.4098  73.543  2.5855 74.035  3.8125 -0.4919968     4.606516 
1 1 1 24 1  35 o 43.614  2.4410 15.091   1.6623  14.680   2.3997  15.470   2.3049  42.710  3.6180 43.925  3.3730 -1.215172      4.946435 
1 1 1 24 1  36 o 16.612  4.8137 2.2939   1.3262  3.7880   1.8372  0.6684   1.9163  21.096  5.4990 13.704  5.6083 7.392134       7.854405 
1 1 1 24 1  37 o 10.223  4.3373 0.0847   1.2079  -1.6537  1.7199  1.7767   1.6968  9.6241  4.5136 15.570  5.5331 -5.945739      7.140574 
1 1 1 24 1  38 o 13.914  4.6980 1.4882   1.2163  3.0322   1.8458  0.3033   1.6170  18.990  5.7252 12.103  5.0701 6.886870       7.647522 
1 1 1 24 1  39 o 27.303  3.0440 6.0112   1.2807  6.7636   1.8686  5.3446   1.7587  28.613  4.2988 25.276  4.6083 3.337551       6.302104 
1 1 1 24 1  40 o 17.813  4.2664 2.6721   1.1756  1.1778   1.8313  3.7196   1.5333  14.415  5.6193 20.941  4.7764 -6.526385      7.374966 
1 1 1 24 1  41 o 17.492  4.1521 2.5769   1.1215  0.9848   1.6173  4.0516   1.5566  13.449  5.2702 21.874  4.6808 -8.424463      7.048766 
1 1 1 24 1  42 o 57.800  1.7748 26.364   1.6081  25.035   2.3416  27.550   2.2124  56.089  2.6631 58.924  2.3951 -2.834877      3.581643 
1 1 1 24 1  43 o 62.314  1.6100 30.617   1.5728  31.030   2.2814  30.242   2.1711  62.534  2.3272 61.761  2.2424 0.7725105      3.231797 
1 1 1 24 1  44 f 40.862  2.0316 13.219   1.3014  11.702   1.8385  14.742   1.8425  38.078  3.1069 42.892  2.7547 -4.813549      4.152271 
1 1 1 24 1  45 o 22.443  3.4383 4.1526   1.1712  4.5337   1.7106  3.8164   1.6068  22.965  4.9008 21.021  4.9565 1.944317       6.970293 
1 1 1 24 1  46 o 29.715  2.5303 7.0911   1.1675  7.7849   1.6564  6.4061   1.6458  30.826  3.4889 27.783  3.8851 3.043293       5.221760 
1 1 1 24 1  47 o 35.584  2.1622 10.097   1.2004  10.556   1.6937  9.6329   1.7017  36.101  3.0205 34.411  3.1907 1.689350       4.393625 
1 1 1 24 1  48 o 10.962  4.3383 0.6197   1.1059  -1.5808  1.5739  2.7659   1.5544  9.0098  4.2541 17.804  5.2265 -8.794156      6.738965 
1 1 1 24 1  49 o 24.304  3.1705 4.8580   1.1792  5.0143   1.5933  4.6688   1.7533  24.225  4.3556 23.082  4.9909 1.143951       6.624256 
1 1 1 24 1  50 o 19.220  4.0689 3.1686   1.1878  3.2319   1.5837  3.0871   1.7958  19.067  5.1686 18.591  5.6565 0.4759254      7.662300 
1 1 1 24 1  51 o 46.738  2.0469 17.398   1.4998  18.697   1.9686  15.603   2.3153  48.143  2.6182 43.530  3.4205 4.612823       4.307507 
1 1 1 24 1  52 o 29.090  2.9531 6.9309   1.3281  10.454   1.9323  3.7775   1.8283  35.487  3.5199 20.336  5.5705 15.15067       6.589454 
1 1 1 24 1  53 o 12.498  4.7580 1.0682   1.2911  1.6778   1.9592  0.6003   1.7165  15.139  5.8370 12.523  5.2331 2.615952       7.839381 
1 1 1 24 1  54 o 25.433  3.2499 5.3820   1.2661  4.6821   1.7941  6.0764   1.7870  22.756  5.1494 26.411  4.4759 -3.654419      6.822704 
1 1 1 24 1  55 o 44.345  2.0498 15.716   1.4250  14.441   2.0534  16.901   1.9790  41.861  3.1522 45.541  2.7854 -3.679710      4.206541 
1 1 1 24 1  56 o 46.124  2.0169 17.003   1.4584  21.169   2.2041  13.758   1.9451  50.968  2.7689 40.885  3.0568 10.08236       4.124444 
1 1 1 24 1  57 o 9.0363  4.0533 -0.3497  1.1904  1.2450   1.7743  -1.6552  1.6053  13.778  5.4816 8.8867  4.2254 4.891219       6.921069 
1 1 1 24 1  58 o 8.5377  3.9158 -0.6460  1.1891  -1.5917  1.7201  0.2196   1.6457  9.3362  4.4200 11.522  4.9784 -2.185838      6.657397 
1 1 1 24 1  59 o 15.209  4.8264 2.0626   1.2924  1.7102   1.7779  2.4574   1.8818  14.693  5.5858 16.513  5.8313 -1.820004      8.075044 
1 1 1 24 1  60 o 41.249  2.2199 13.745   1.4302  13.900   1.9654  13.570   2.0852  40.925  3.0862 40.248  3.3349 0.6763000      4.543773 
1 1 1 24 1  61 o 25.204  3.3391 5.3851   1.2868  5.0988   1.8361  5.6614   1.8041  23.371  5.1502 24.926  4.7909 -1.554831      7.034040 
1 1 1 24 1  62 o 10.780  4.5474 0.4201   1.3154  0.2954   1.9374  0.5268   1.7917  12.174  5.3289 12.202  5.2325 -0.2759361E-01 7.468306 
1 1 1 24 1  63 o 15.903  4.7844 2.3681   1.2900  2.1448   1.9721  2.5350   1.7055  15.431  5.8791 16.249  5.5628 -0.8175573     8.093679 
1 1 1 24 2  0  o 91.406  2.0507 65.683   2.9352  65.683   2.9352  65.683   2.9352  91.406  2.0507 91.406  2.0507 0.000000       0.000000 
1 1 1 24 2  1  o 30.096  2.5951 7.1910   1.2124  7.9886   1.6784  6.3208   1.7532  31.589  3.4452 27.914  4.1313 3.675373       5.379354 
1 1 1 24 2  2  o 36.111  2.2122 10.301   1.2463  10.346   1.7149  10.249   1.8144  36.066  3.0621 35.860  3.2633 0.2058945      4.475009 
1 1 1 24 2  3  f 52.311  1.7683 21.504   1.4501  20.715   2.0451  22.302   2.0565  51.271  2.5444 53.207  2.4655 -1.936005      3.543003 
1 1 1 24 2  4  o 18.915  4.2038 2.9548   1.2142  5.0512   1.8654  1.4135   1.5995  24.708  4.9876 14.646  5.3501 10.06197       7.314396 
1 1 1 24 2  5  o 38.453  2.1758 11.673   1.3063  10.100   1.8183  13.350   1.8778  35.587  3.2968 41.019  2.9396 -5.431862      4.417069 
1 1 1 24 2  6  o 31.591  2.5338 7.9149   1.2443  9.3400   1.7751  6.5382   1.7446  34.197  3.3543 28.417  4.0292 5.780779       5.242630 
1 1 1 24 2  7  o 34.636  2.4369 9.4972   1.3148  9.2449   1.7635  9.8131   1.9727  34.020  3.3501 35.001  3.6489 -0.9803238     4.953567 
1 1 1 24 2  8  o 65.665  1.5950 33.872   1.6419  35.430   2.3519  32.392   2.2931  67.087  2.2363 64.140  2.2806 2.946655       3.194061 
1 1 1 24 2  9  o 35.462  2.3166 9.9450   1.2808  12.500   1.8500  7.5936   1.7748  39.667  2.9971 30.714  3.7650 8.953587       4.812265 
1 1 1 24 2  10 o 56.199  1.7052 24.821   1.5023  25.970   2.1441  23.712   2.1055  57.415  2.3822 54.855  2.4485 2.559856       3.416093 
1 1 1 24 2  11 o 29.472  2.6350 6.9046   1.2046  7.2981   1.7096  6.5167   1.6975  30.110  3.6996 28.381  3.9201 1.729418       5.390167 
1 1 1 24 2  12 o 49.371  1.8311 19.165   1.4172  19.360   2.0211  18.977   1.9878  49.474  2.6152 48.984  2.5979 0.4900513      3.686239 
1 1 1 24 2  13 o 44.796  1.9279 15.784   1.3539  18.748   1.9746  13.155   1.8598  48.684  2.5966 40.699  2.9347 7.984798       3.918545 
1 1 1 24 2  14 o 51.074  1.7879 20.509   1.4315  21.214   2.0321  19.816   2.0168  51.868  2.4991 50.055  2.5790 1.812954       3.591202 
1 1 1 24 2  15 o 47.110  1.8675 17.455   1.3792  17.415   1.9454  17.495   1.9556  46.901  2.6568 47.007  2.6647 -0.1066475     3.762887 
1 1 1 24 2  16 o 36.286  2.1952 10.408   1.2428  13.315   1.8044  7.7839   1.7144  40.956  2.8276 31.117  3.5796 9.839260       4.561707 
1 1 1 24 2  17 o 37.427  2.2783 11.078   1.3304  14.226   2.0408  8.7521   1.7544  42.285  3.1003 33.044  3.4371 9.240562       4.628721 
1 1 1 24 2  18 o 37.558  2.1545 11.147   1.2633  12.609   1.8287  9.8118   1.7471  39.821  2.9504 35.049  3.2156 4.772072       4.364093 
1 1 1 24 2  19 o 31.288  2.5646 7.7778   1.2469  7.6023   1.6682  7.9999   1.8768  30.746  3.5248 31.466  3.8872 -0.7204208     5.247344 
1 1 1 24 2  20 o 22.987  3.5166 4.2907   1.2270  3.8731   1.7941  4.6575   1.6817  21.481  5.3484 23.700  4.6924 -2.218653      7.115035 
1 1 1 24 2  21 o 61.676  1.6458 29.907   1.5913  32.220   2.2893  27.746   2.2136  63.925  2.2844 59.307  2.3809 4.618832       3.299549 
1 1 1 24 2  22 o 21.835  3.6976 3.8958   1.2205  3.8922   1.6713  3.8999   1.7865  21.555  5.0366 21.541  5.3215 0.1349449E-01  7.327037 
1 1 1 24 2  23 o 14.820  4.7456 1.7354   1.2473  1.7509   1.8011  1.7211   1.7290  15.808  5.6917 15.599  5.5808 0.2087374      7.971278 
1 1 1 24 2  24 o 49.717  2.0171 19.471   1.5721  19.366   2.2371  19.573   2.2098  49.371  2.9032 49.646  2.8512 -0.2752190     4.069157 
1 1 1 24 2  25 o 57.136  1.8389 25.697   1.6471  23.253   2.2290  28.636   2.4446  54.233  2.6218 60.191  2.5908 -5.957703      3.685877 
1 1 1 24 2  26 o 57.338  2.0090 25.903   1.8058  26.599   2.5229  25.173   2.5860  57.967  2.7763 56.284  2.9410 1.682747       4.044375 
1 1 1 24 2  27 o 77.524  1.7045 47.288   2.0715  42.969   2.7016  53.450   3.2271  73.776  2.3359 82.240  2.5031 -8.463799      3.423699 
1 1 1 24 2  28 o 70.771  1.6863 39.410   1.8709  39.592   2.6159  39.219   2.6769  70.806  2.3567 70.457  2.4236 0.3488388      3.380508 
1 1 1 24 2  29 o 56.028  1.8485 24.722   1.6236  23.823   2.2804  25.646   2.3121  54.863  2.6514 56.935  2.5905 -2.072300      3.706825 
1 1 1 24 2  30 o 26.197  3.0192 5.5184   1.2172  5.5897   1.6674  5.4370   1.7811  26.066  4.2249 25.593  4.6088 0.4734802      6.252312 
1 1 1 24 2  31 o 45.703  1.9451 16.464   1.3936  17.071   1.9513  15.831   1.9911  46.344  2.6975 44.583  2.8640 1.761318       3.934288 
1 1 1 24 2  32 o 48.874  1.8882 18.825   1.4467  18.066   1.9587  19.737   2.1461  47.687  2.6302 49.816  2.7589 -2.129074      3.811724 
1 1 1 24 2  33 o 90.270  1.4265 64.079   2.0187  66.589   2.9974  61.995   2.7310  91.855  2.0815 88.662  1.9649 3.192589       2.862436 
1 1 1 24 2  34 o 98.033  1.4667 75.597   2.2541  74.776   3.1655  76.443   3.2105  97.327  2.0747 98.403  2.0812 -1.076569      2.938662 
1 1 1 24 2  35 o 23.237  3.1853 4.3817   1.1298  5.5290   1.7050  3.4838   1.5085  25.817  4.3688 20.294  4.8142 5.522591       6.500978 
1 1 1 24 2  36 o 46.850  1.9073 17.317   1.4008  17.011   2.1288  17.551   1.8603  46.134  2.9591 46.982  2.5352 -0.8484039     3.896610 
1 1 1 24 2  37 o 37.916  2.2201 11.411   1.3138  11.316   2.0342  11.479   1.7210  37.410  3.5096 37.858  2.9224 -0.4476318     4.567001 
1 1 1 24 2  38 o 66.901  1.6328 35.268   1.7125  36.213   2.6101  34.553   2.2692  67.565  2.4643 66.081  2.1905 1.483971       3.297091 
1 1 1 24 2  39 o 92.198  1.7352 67.049   2.5080  67.459   3.3020  66.491   3.8559  92.268  2.2828 91.412  2.6907 0.8562698      3.528597 
1 1 1 24 2  40 o 39.452  2.5998 12.433   1.5989  14.498   2.1368  9.8064   2.4101  42.403  3.2390 34.319  4.5951 8.084606       5.621911 
1 1 1 24 2  41 o 47.936  2.2790 18.230   1.7126  18.661   2.1985  17.565   2.7314  48.231  2.9214 46.427  3.7858 1.803562       4.781960 
1 1 1 24 2  42 o 39.391  2.4813 12.394   1.5244  13.347   1.9274  10.804   2.4911  40.694  3.0433 35.991  4.5145 4.702923       5.444479 
1 1 1 24 2  43 o 26.126  3.6260 5.6280   1.4450  6.4660   1.8547  4.3335   2.3052  27.730  4.4144 22.034  6.3355 5.695402       7.721725 
1 1 1 24 2  44 o 14.586  4.8562 1.7213   1.2997  2.8301   1.8852  0.7168   1.7944  18.166  5.8362 13.218  5.4201 4.947597       7.964834 
1 1 1 24 2  45 o 12.885  4.6925 1.1935   1.2291  2.8715   1.7795  -0.3375  1.6997  18.181  5.6485 11.106  4.9209 7.074979       7.491335 
1 1 1 24 2  46 o 8.4122  3.8571 -0.7122  1.1526  -0.3254  1.7656  -0.9994  1.5215  11.310  5.0133 9.5094  4.3862 1.801067       6.661202 
1 1 1 24 2  47 o 30.281  2.6115 7.4039   1.2276  8.1947   1.8105  6.7310   1.6701  31.402  3.7520 28.379  3.8537 3.023096       5.378540 
1 1 1 24 2  48 o 32.549  2.4744 8.5340   1.2531  9.6220   1.8467  7.6053   1.7061  34.131  3.5009 30.228  3.6760 3.902796       5.076315 
1 1 1 24 2  49 o 48.115  1.9640 18.417   1.4814  20.961   2.2954  16.601   1.9393  50.821  2.8931 45.290  2.7444 5.530598       3.987702 
1 1 1 24 2  50 o 23.217  3.5803 4.5323   1.2612  4.6905   1.7915  4.3768   1.7758  22.891  5.1205 22.048  5.2188 0.8431759      7.311284 
1 1 1 24 2  51 o 15.064  4.7151 1.9685   1.2374  1.4335   1.7266  2.5336   1.7743  14.228  5.4813 16.929  5.6744 -2.701200      7.889422 
1 1 1 24 2  52 o 27.386  2.9989 6.1802   1.2664  5.8426   1.8167  6.4994   1.7664  25.770  4.6687 27.461  4.2397 -1.690985      6.306487 
1 1 1 24 2  53 o 11.787  4.6341 0.8454   1.2541  -2.2051  1.8819  3.2827   1.6821  9.3277  4.4729 18.884  5.4068 -9.556009      7.017150 
1 1 1 24 2  54 o 28.450  3.1649 6.7220   1.3876  5.3655   1.9671  8.0655   1.9577  24.182  5.3324 30.586  4.1933 -6.404095      6.783708 
1 1 1 24 2  55 o 54.879  1.8770 24.024   1.6148  23.218   2.3848  24.706   2.1944  53.271  2.8663 55.260  2.5331 -1.988861      3.825197 
1 1 1 24 2  56 o 19.438  4.3378 3.3528   1.2883  4.1116   1.9236  2.7358   1.7347  20.817  5.7188 17.230  5.6042 3.586647       8.006997 
1 1 1 24 2  57 o 11.802  4.5563 0.9393   1.1950  -0.7916  1.6754  2.7317   1.7049  10.089  4.6349 17.171  5.5535 -7.081506      7.233516 
1 1 1 24 2  58 o 16.046  4.5538 2.3258   1.1987  2.7321   1.7191  1.9413   1.6721  17.105  5.5798 15.055  5.4747 2.049840       7.817041 
1 1 1 24 2  59 o 36.010  2.3814 10.548   1.3368  11.227   1.9002  9.8824   1.8809  36.519  3.3568 34.094  3.5721 2.424461       4.901880 
1 1 1 24 2  60 o 23.439  3.5332 4.7234   1.2580  4.5267   1.8202  4.9032   1.7405  21.751  5.3703 22.952  4.9804 -1.200497      7.324203 
1 1 1 24 2  61 o 22.641  3.8967 4.5191   1.3332  4.0554   2.0429  4.8632   1.7595  19.978  6.0230 22.673  5.0767 -2.694452      7.877169 
1 1 1 24 2  62 f 13.969  5.1094 1.7217   1.4595  0.0915   2.1100  3.2172   2.0210  12.109  5.4166 17.737  6.0554 -5.627756      8.124492 
1 1 1 24 3  0  o 79.977  2.1399 50.335   2.6787  50.335   2.6787  50.335   2.6787  79.977  2.1399 79.977  2.1399 0.000000       0.000000 
1 1 1 24 3  1  o 23.749  3.3072 4.5508   1.1978  4.9354   1.6867  4.1596   1.7013  24.473  4.5645 22.346  4.9835 2.126200       6.757923 
1 1 1 24 3  2  o 45.882  1.9091 16.560   1.3732  17.781   1.9508  15.360   1.9333  47.397  2.6359 44.010  2.8169 3.386963       3.857835 
1 1 1 24 3  3  o 41.216  2.1379 13.410   1.3766  11.030   1.8304  16.511   2.0889  37.199  3.1689 45.612  2.9369 -8.412872      4.320603 
1 1 1 24 3  4  f 64.378  1.6665 32.575   1.6819  32.760   2.5195  32.427   2.2588  64.452  2.4936 64.160  2.2457 0.2918243      3.355783 
1 1 1 24 3  5  o 18.809  4.0951 2.9249   1.1732  4.2296   1.6729  1.6621   1.6458  22.551  4.8742 15.336  5.4494 7.215493       7.311177 
1 1 1 24 3  6  o 94.992  1.4992 70.888   2.2326  67.849   3.2293  73.670   3.0899  92.810  2.2195 96.747  2.0373 -3.937019      3.012810 
1 1 1 24 3  7  o 79.043  1.5561 49.091   1.9282  50.337   2.6529  47.696   2.8075  79.956  2.1165 77.799  2.3019 2.157204       3.127064 
1 1 1 24 3  8  o 44.526  1.9411 15.600   1.3550  14.964   1.9188  16.232   1.9136  43.425  2.8341 45.259  2.7096 -1.833145      3.920965 
1 1 1 24 3  9  o 60.865  1.6853 29.123   1.6081  29.366   2.2793  28.882   2.2691  61.031  2.3824 60.523  2.3915 0.5072784      3.375633 
1 1 1 24 3  10 o 39.464  2.1212 12.300   1.3075  13.344   1.8808  11.323   1.8188  40.971  2.9480 37.695  3.1055 3.276443       4.281941 
1 1 1 24 3  11 o 70.164  1.5630 38.688   1.7192  40.707   2.4395  36.696   2.4232  71.886  2.1647 68.237  2.2652 3.649071       3.133208 
1 1 1 24 3  12 o 52.974  1.7471 22.068   1.4509  23.737   2.1261  20.614   1.9848  54.850  2.4726 51.114  2.4770 3.736683       3.499891 
1 1 1 24 3  13 o 64.284  1.6261 32.485   1.6387  31.012   2.2800  34.059   2.3569  62.716  2.3191 65.731  2.2873 -3.014652      3.257228 
1 1 1 24 3  14 o 35.947  2.2716 10.227   1.2735  9.8580   1.7896  10.605   1.8128  35.104  3.2903 36.439  3.2060 -1.335037      4.593945 
1 1 1 24 3  15 o 51.586  1.7779 20.934   1.4378  20.834   2.0301  21.034   2.0366  51.371  2.5208 51.618  2.5168 -0.2466469     3.562148 
1 1 1 24 3  16 o 54.875  1.8187 23.694   1.5646  25.033   2.3589  22.642   2.0906  56.281  2.6736 53.554  2.4901 2.726627       3.653615 
1 1 1 24 3  17 o 83.775  1.6080 55.179   2.1118  57.764   3.0126  52.680   2.9612  85.592  2.2452 81.724  2.3114 3.867912       3.222316 
1 1 1 24 3  18 o 43.344  2.1553 14.808   1.4645  13.254   2.0309  16.491   2.1138  40.749  3.2051 45.532  2.9777 -4.783096      4.374888 
1 1 1 24 3  19 f 28.961  3.0907 6.7241   1.3815  7.8948   1.8871  5.3720   2.0281  31.207  3.9455 25.312  5.2819 5.894659       6.592799 
1 1 1 24 3  20 o 38.977  2.5702 12.058   1.5616  13.562   2.2674  10.700   2.1540  41.126  3.5517 36.425  3.8296 4.701439       5.223031 
1 1 1 24 3  21 o 33.959  2.8600 9.1968   1.5084  8.0489   2.0470  10.561   2.2314  31.414  4.2670 36.128  4.0072 -4.714659      5.853694 
1 1 1 24 3  22 o 46.403  2.0184 16.968   1.4683  18.313   2.0567  15.570   2.0968  48.023  2.7433 44.200  3.0446 3.823116       4.098217 
1 1 1 24 3  23 o 45.792  2.0477 16.528   1.4700  15.670   2.0504  17.436   2.1085  44.356  2.9658 46.818  2.8870 -2.461681      4.138894 
1 1 1 24 3  24 o 90.309  1.6123 64.154   2.2825  58.082   3.1083  71.261   3.3627  85.768  2.3118 95.018  2.2575 -9.249115      3.231173 
1 1 1 24 3  25 o 50.307  1.7644 19.924   1.3915  18.394   2.0209  21.303   1.9189  48.127  2.6893 51.931  2.3571 -3.804443      3.576020 
1 1 1 24 3  26 o 57.484  1.6796 26.006   1.5136  28.010   2.2195  24.264   2.0695  59.537  2.3780 55.412  2.3824 4.124821       3.366112 
1 1 1 24 3  27 o 32.812  2.3889 8.5537   1.2203  9.9169   1.7872  7.3629   1.6704  35.146  3.2817 30.159  3.6043 4.986267       4.874526 
1 1 1 24 3  28 o 76.860  1.5015 46.463   1.8091  43.626   2.5465  49.354   2.5707  74.335  2.1852 79.092  2.0733 -4.757469      3.012267 
1 1 1 24 3  29 o 44.834  1.9959 15.854   1.4028  14.705   1.9492  17.089   2.0205  42.934  2.9133 46.328  2.7952 -3.394436      4.037323 
1 1 1 24 3  30 o 19.037  4.0448 3.0202   1.1699  1.1124   1.6039  5.1892   1.7101  13.780  5.2895 24.965  4.5367 -11.18525      6.968518 
1 1 1 24 3  31 o 95.711  1.4789 72.068   2.2190  71.087   3.0901  73.112   3.1885  94.889  2.0773 96.218  2.1139 -1.329346      2.963725 
1 1 1 24 3  32 o 21.494  3.6920 3.8042   1.1992  5.4718   1.6702  2.0300   1.7228  25.697  4.2980 16.230  5.5892 9.466602       7.050680 
1 1 1 24 3  33 o 96.567  1.4771 73.384   2.2361  72.773   3.1388  74.013   3.1863  95.976  2.0861 96.785  2.1000 -0.8094025     2.960082 
1 1 1 24 3  34 o 74.592  1.6136 43.827   1.8868  42.986   2.5097  44.921   2.8616  73.726  2.1715 75.285  2.4246 -1.558655      3.254859 
1 1 1 24 3  35 o 26.472  3.0121 5.6595   1.2277  6.7256   1.7957  4.7238   1.6823  28.548  4.1327 23.663  4.7009 4.885590       6.259161 
1 1 1 24 3  36 o 15.198  4.5006 1.9215   1.1482  1.0745   1.6194  2.7777   1.6282  13.646  5.2939 18.101  5.3592 -4.455385      7.533073 
1 1 1 24 3  37 o 16.831  4.4552 2.3992   1.1939  2.3568   1.7900  2.4331   1.6025  17.040  5.6995 17.078  5.3691 -0.3830528E-01 7.830179 
1 1 1 24 3  38 o 45.362  2.1105 16.295   1.5009  16.011   2.1799  16.551   2.0695  44.589  3.1387 45.418  2.9221 -0.8292236     4.288315 
1 1 1 24 3  39 o 16.078  4.5699 2.1886   1.2062  2.5976   1.8847  1.9048   1.5698  17.677  5.8460 15.530  5.3361 2.146257       7.915151 
1 1 1 24 3  40 o 21.247  3.8856 3.7777   1.2465  6.5165   1.9082  1.7391   1.6463  27.805  4.5341 15.185  5.4444 12.61939       7.085172 
1 1 1 24 3  41 o 64.685  1.7142 33.059   1.7383  31.042   2.4090  35.250   2.5107  62.417  2.4620 66.537  2.4070 -4.119953      3.443101 
1 1 1 24 3  42 o 44.055  2.1087 15.408   1.4563  16.418   2.2741  14.707   1.8962  44.980  3.2469 42.730  2.8469 2.249722       4.318279 
1 1 1 24 3  43 o 10.587  4.3645 0.3757   1.1712  0.9992   1.7785  -0.1017  1.5563  13.677  5.4727 10.988  4.7938 2.688473       7.275312 
1 1 1 24 3  44 o 48.644  1.9791 18.784   1.5092  19.938   2.2986  17.910   2.0009  49.645  2.9671 47.163  2.7178 2.481644       4.023662 
1 1 1 24 3  45 o 11.829  4.5472 0.8725   1.1864  0.1860   1.5855  1.7458   1.7883  11.527  4.9321 15.223  5.6408 -3.695442      7.492915 
1 1 1 24 3  46 o 39.313  2.3603 12.406   1.4479  13.857   1.9893  10.771   2.1114  41.213  3.1019 35.950  3.8043 5.262890       4.908595 
1 1 1 24 3  47 o 46.927  2.1724 17.582   1.5982  17.078   2.0653  18.335   2.5231  45.847  2.8883 47.172  3.4355 -1.324593      4.488343 
1 1 1 24 3  48 o 38.706  2.5032 12.096   1.5108  10.502   1.9620  14.416   2.3678  35.521  3.5719 41.599  3.6683 -6.078327      5.120052 
1 1 1 24 3  49 o 20.634  4.3546 3.7247   1.3643  4.2822   1.9876  3.2280   1.8761  21.455  5.7797 18.734  5.7965 2.721136       8.185584 
1 1 1 24 3  50 o 18.853  4.4336 3.1417   1.2884  2.9099   1.9239  3.3302   1.7347  17.855  5.9066 19.015  5.5042 -1.159340      8.073675 
1 1 1 24 3  51 o 23.058  3.9002 4.5647   1.3595  5.5864   2.0128  3.7075   1.8437  24.701  5.3524 19.924  5.6452 4.777168       7.779274 
1 1 1 24 3  52 o 21.612  4.0953 4.0652   1.3367  7.6185   2.1012  1.6496   1.7325  29.344  4.7284 14.586  5.5214 14.75822       7.269360 
1 1 1 24 3  53 o 8.8439  3.9997 -0.4492  1.1866  0.0608   1.7096  -0.9232  1.6484  11.448  5.0086 9.8621  4.5547 1.586301       6.769904 
1 1 1 24 3  54 o 33.113  2.7123 8.9782   1.3956  8.8025   1.9136  9.1779   2.0399  32.089  3.8829 32.640  4.0754 -0.5514832     5.629047 
1 1 1 24 3  55 o 27.087  3.1549 6.1285   1.3146  7.2831   1.8662  4.9912   1.8521  28.884  4.2483 23.226  5.2143 5.657972       6.725870 
1 1 1 24 3  56 o 38.887  2.4911 12.313   1.5106  12.618   2.0864  11.977   2.1902  38.697  3.4763 37.461  3.7812 1.236309       5.136317 
1 1 1 24 3  57 o 23.536  4.0616 4.8623   1.4444  6.2447   2.1223  3.6694   1.9714  25.738  5.4308 19.352  5.9343 6.385958       8.044208 
1 1 1 24 3  58 o 11.934  4.8653 0.8113   1.4353  0.5087   2.0808  1.0859   1.9824  12.838  5.5724 13.574  5.6440 -0.7365055     7.931350 
1 1 1 24 3  59 o 26.674  4.0109 6.2705   1.6253  7.4757   2.2277  4.8990   2.3765  28.138  5.2432 21.599  6.4929 6.539209       8.345608 
1 1 1 24 3  60 o 20.014  5.0293 3.8391   1.5761  3.4426   2.2197  4.2423   2.2382  18.193  6.3398 20.023  6.3514 -1.830622      8.974030 
1 1 1 24 4  0  o 89.733  2.0794 63.342   2.9216  63.342   2.9216  63.342   2.9216  89.733  2.0794 89.733  2.0794 0.000000       0.000000 
1 1 1 24 4  1  o 64.814  1.6253 33.027   1.6514  30.128   2.2774  36.242   2.3982  61.802  2.3506 67.801  2.2563 -5.998650      3.258221 
1 1 1 24 4  2  o 44.593  2.0922 15.665   1.4626  15.945   2.0055  15.347   2.1376  44.802  2.8705 43.896  3.1268 0.9057007      4.244642 
1 1 1 24 4  3  o 92.148  1.4603 66.720   2.1095  66.777   2.9964  66.663   2.9704  92.073  2.0759 91.998  2.0596 0.7505798E-01  2.924270 
1 1 1 24 4  4  o 30.559  2.6189 7.4304   1.2425  7.1797   1.7621  7.6784   1.7522  29.773  3.8666 30.846  3.6971 -1.073044      5.349644 
1 1 1 24 4  5  o 46.835  1.9817 17.272   1.4550  16.251   2.1531  18.130   1.9739  45.189  3.0573 47.829  2.6428 -2.640060      4.041245 
1 1 1 24 4  6  o 18.793  4.0339 2.9249   1.1529  4.3093   1.6876  1.7133   1.5788  22.721  4.8833 15.302  5.3459 7.419242       7.240527 
1 1 1 24 4  7  o 47.789  1.8341 17.972   1.3741  17.965   1.9394  17.980   1.9471  47.614  2.6082 47.632  2.6177 -0.1773834E-01 3.695231 
1 1 1 24 4  8  f 36.315  2.2915 10.442   1.2979  10.557   1.8271  10.325   1.8440  36.334  3.2417 35.914  3.3125 0.4197083      4.634778 
1 1 1 24 4  9  o 8.3128  3.8211 -0.8250  1.1410  -3.0404  1.6073  1.4254   1.6200  7.9153  3.8731 14.646  5.3790 -6.730755      6.628348 
1 1 1 24 4  10 o 120.190 1.5137 113.544  2.8522  115.037  3.8865  111.803  4.1986  120.837 2.0517 119.065 2.2494 1.771805       3.044548 
1 1 1 24 4  11 o 89.814  1.6207 63.433   2.2820  66.395   3.2422  60.525   3.2124  91.750  2.2542 87.579  2.3398 4.171295       3.248977 
1 1 1 24 4  12 o 71.410  1.7380 40.121   1.9457  37.202   2.6766  43.392   2.8332  68.629  2.4878 74.129  2.4380 -5.500565      3.483276 
1 1 1 24 4  13 o 23.135  3.9050 4.3864   1.3658  2.9420   1.8709  6.0348   1.9986  18.901  5.7785 26.955  4.9105 -8.054386      7.583137 
1 1 1 24 4  14 o 85.166  1.8046 57.091   2.4093  59.124   3.4111  55.068   3.4035  86.500  2.5155 83.457  2.6015 3.043358       3.618768 
1 1 1 24 4  15 o 26.910  3.5481 5.8633   1.4603  7.0569   2.1003  4.7463   2.0318  29.239  4.7448 23.684  5.5663 5.554369       7.314164 
1 1 1 24 4  16 o 59.479  1.7890 27.848   1.6682  28.907   2.4711  26.961   2.2612  60.457  2.6073 58.413  2.4693 2.043259       3.590982 
1 1 1 24 4  17 o 51.374  2.0273 20.802   1.6327  20.326   2.2361  21.346   2.3896  50.574  2.8318 51.800  2.9549 -1.226418      4.092695 
1 1 1 24 4  18 f 11.284  4.5835 0.4500   1.2680  2.3384   1.7377  -1.7004  1.8543  17.148  5.6106 10.102  4.7213 7.046071       7.332748 
1 1 1 24 4  19 o 41.209  2.4378 13.467   1.5679  13.680   2.1737  13.235   2.2636  41.317  3.3857 40.577  3.5957 0.7401657      4.938849 
1 1 1 24 4  20 o 32.970  2.5669 8.6505   1.3163  7.1983   1.8025  10.310   1.9267  29.730  3.9664 35.802  3.4767 -6.071089      5.274437 
1 1 1 24 4  21 o 28.360  2.8575 6.4410   1.2531  8.2061   1.7753  4.6884   1.7690  31.863  3.6183 23.636  4.9336 8.226393       6.118194 
1 1 1 24 4  22 o 56.249  1.7634 24.914   1.5550  24.237   2.1230  25.697   2.2839  55.362  2.4462 56.983  2.5567 -1.620747      3.538461 
1 1 1 24 4  23 o 37.725  2.2546 11.280   1.3273  11.897   1.8747  10.660   1.8793  38.553  3.1289 36.430  3.3274 2.122910       4.567426 
1 1 1 24 4  24 o 38.651  2.2002 11.835   1.3276  13.492   1.8544  10.092   1.9016  41.124  2.8949 35.393  3.4719 5.731422       4.520472 
1 1 1 24 4  25 o 67.767  1.7140 36.164   1.8208  40.359   2.7310  32.807   2.4431  71.418  2.4392 64.396  2.4201 7.022324       3.436083 
1 1 1 24 4  26 o 81.903  1.5439 52.786   1.9823  56.148   3.0663  50.371   2.5983  84.266  2.3212 79.883  2.0748 4.382805       3.113323 
1 1 1 24 4  27 o 58.989  1.7316 27.413   1.6013  30.506   2.4819  25.207   2.0960  62.045  2.5517 56.442  2.3688 5.603745       3.481695 
1 1 1 24 4  28 o 70.211  1.5890 38.810   1.7490  37.984   2.6639  39.436   2.3187  69.250  2.4538 70.661  2.0932 -1.411156      3.225368 
1 1 1 24 4  29 o 58.208  1.7391 26.703   1.5870  24.296   2.3672  28.667   2.1388  55.303  2.7304 60.197  2.2664 -4.894306      3.548483 
1 1 1 24 4  30 o 15.439  4.4652 1.9837   1.1421  3.4962   1.6920  0.7178   1.5479  20.227  5.2795 12.704  5.0978 7.522787       7.338953 
1 1 1 24 4  31 o 42.957  2.0146 14.579   1.3567  12.907   1.9201  16.246   1.9173  40.099  3.0780 45.122  2.7232 -5.023262      4.109710 
1 1 1 24 4  32 o 47.885  1.8765 18.102   1.4086  16.563   1.9915  19.642   1.9926  45.524  2.8042 49.663  2.5682 -4.138744      3.802499 
1 1 1 24 4  33 o 33.230  2.4856 8.8157   1.2854  9.1741   1.7927  8.4364   1.8441  33.627  3.4496 32.140  3.7294 1.486427       5.080181 
1 1 1 24 4  34 o 32.108  2.6169 8.2552   1.3057  7.5505   1.8054  9.0280   1.8907  30.309  3.8895 33.254  3.6890 -2.944157      5.360672 
1 1 1 24 4  35 o 21.472  3.9480 3.8504   1.2799  4.4960   1.8517  3.2597   1.7712  22.805  5.2830 19.424  5.5435 3.381441       7.657770 
1 1 1 24 4  36 o 79.020  1.5029 49.214   1.8617  48.469   2.5213  50.107   2.7606  78.232  2.0559 79.477  2.2157 -1.245285      3.022576 
1 1 1 24 4  37 o 8.2248  3.8029 -0.8648  1.1540  -2.7308  1.4497  2.3630   1.9066  7.4569  3.6550 17.075  5.8799 -9.617804      6.923369 
1 1 1 24 4  38 o 32.990  2.4721 8.7183   1.2692  8.8559   1.7179  8.5529   1.8833  32.952  3.3732 32.210  3.8031 0.7417183      5.083503 
1 1 1 24 4  39 o 30.504  2.7411 7.5066   1.2968  8.7243   1.8405  6.3059   1.8276  32.558  3.6700 27.320  4.4180 5.237577       5.743500 
1 1 1 24 4  40 o 20.319  3.8995 3.4842   1.1969  5.0513   1.6667  1.8152   1.7200  24.308  4.5406 15.386  5.5590 8.922496       7.177760 
1 1 1 24 4  41 o 38.478  2.3163 11.845   1.3907  12.211   1.9263  11.448   2.0098  38.718  3.2025 37.358  3.4715 1.359371       4.723058 
1 1 1 24 4  42 o 70.812  1.6269 39.659   1.8060  39.434   2.4936  39.907   2.6191  70.319  2.2620 70.683  2.3637 -0.3641357     3.271654 
1 1 1 24 4  43 o 29.688  2.8806 7.1758   1.3238  7.4532   1.8556  6.8884   1.8890  29.723  4.0908 28.413  4.3818 1.310680       5.994554 
1 1 1 24 4  44 o 11.915  4.5811 0.9042   1.2042  2.4076   1.6669  -0.7370  1.7416  16.659  5.4973 10.562  4.8038 6.097431       7.300478 
1 1 1 24 4  45 o 14.572  4.7199 1.8045   1.2311  2.0181   1.7062  1.5725   1.7782  15.627  5.5489 14.676  5.5846 0.9504795      7.872632 
1 1 1 24 4  46 o 40.833  2.2593 13.394   1.4406  11.840   2.0014  15.064   2.0752  37.798  3.4144 42.858  3.1099 -5.059940      4.618401 
1 1 1 24 4  47 o 19.441  4.1701 3.2957   1.2328  3.2765   1.8040  3.3125   1.6887  18.851  5.6548 19.013  5.4082 -0.1619892     7.824640 
1 1 1 24 4  48 o 27.354  3.3062 6.2408   1.3890  4.8155   2.1205  7.3120   1.8384  22.574  5.9192 29.173  4.1355 -6.599083      7.220797 
1 1 1 24 4  49 o 30.785  2.9051 7.7951   1.3854  9.1693   1.9289  6.3307   1.9912  32.878  3.8131 26.561  4.9646 6.317047       6.259963 
1 1 1 24 4  50 o 41.211  2.3471 13.724   1.5101  15.057   2.0725  12.216   2.2048  42.691  3.1183 38.001  3.7499 4.690605       4.877024 
1 1 1 24 4  51 o 15.433  5.1321 2.1116   1.4518  1.3076   2.0076  2.9928   2.1019  14.264  5.7766 17.884  6.1729 -3.620468      8.454202 
1 1 1 24 4  52 o 29.150  3.3220 7.1281   1.4910  8.7697   1.9690  4.9219   2.2827  31.903  4.0266 22.366  6.2621 9.537334       7.444910 
1 1 1 24 4  53 o 28.965  3.2616 7.0339   1.4552  4.8597   2.1073  9.0157   2.0119  22.402  5.9137 32.286  4.0652 -9.884031      7.176185 
1 1 1 24 4  54 o 28.620  3.5230 6.9574   1.5473  7.3002   2.1331  6.5768   2.2478  28.300  4.9903 26.344  5.6145 1.955843       7.511675 
1 1 1 24 4  55 o 10.110  4.6042 -0.5506  1.6062  0.0263   2.3130  -1.0879  2.2322  12.738  5.6863 11.268  5.2374 1.469631       7.730770 
1 1 1 24 4  56 o 14.962  5.2704 2.0071   1.5362  3.2652   2.1077  0.5811   2.2438  18.139  6.1840 13.258  5.7706 4.881030       8.458194 
1 1 1 24 4  57 o 13.076  5.0512 1.3168   1.4694  1.0991   2.1750  1.4996   1.9931  13.816  5.8388 14.228  5.7580 -0.4122162     8.200328 
1 1 1 24 4  58 o 19.592  4.8517 3.6383   1.4823  2.9505   2.1299  4.2843   2.0643  17.131  6.1866 20.374  6.0348 -3.243666      8.642467 
1 1 1 24 4  59 o 16.750  5.0007 2.7217   1.4133  2.9673   2.0642  2.5050   1.9391  16.998  6.0962 15.971  5.8821 1.027647       8.471325 
1 1 1 24 5  0  o 14.444  7.0310 2.4645   1.8713  2.4645   1.8713  2.4645   1.8713  14.444  7.0310 14.444  7.0310 0.000000       0.000000 
1 1 1 24 5  1  o 34.236  2.7246 9.3350   1.4502  8.7364   1.9305  10.110   2.1971  32.861  3.8186 35.319  4.0410 -2.458130      5.559801 
1 1 1 24 5  2  o 81.839  1.7839 52.721   2.2887  53.500   2.7821  51.090   4.0258  82.362  2.1547 80.189  3.2025 2.173302       3.859895 
1 1 1 24 5  3  o 68.438  2.0620 36.921   2.2122  35.792   2.8063  38.774   3.5955  67.257  2.6615 69.832  3.2844 -2.574913      4.227410 
1 1 1 24 5  4  o 46.788  2.5476 17.358   1.8616  18.637   2.4392  15.573   2.8810  48.319  3.2389 43.858  4.2433 4.460609       5.338154 
1 1 1 24 5  5  o 26.171  3.8336 5.5830   1.5262  4.9427   1.9002  6.7466   2.5618  24.254  5.1564 28.185  5.9829 -3.930428      7.898350 
1 1 1 24 5  6  f 49.524  2.6691 19.465   2.0646  20.987   2.5317  16.444   3.5670  51.304  3.1633 44.731  5.1827 6.572910       6.071823 
1 1 1 24 5  7  o 64.505  2.3613 32.862   2.3878  31.362   2.8702  36.233   4.3032  62.892  2.9111 67.105  4.1104 -4.212421      5.036877 
1 1 1 24 5  8  o 15.937  5.0615 2.0382   1.4211  1.6468   1.9450  2.4864   2.0814  15.806  5.8777 17.941  6.1451 -2.135006      8.503504 
1 1 1 24 5  9  o 14.862  5.0410 1.6823   1.4005  0.4462   1.8254  3.4511   2.1835  13.076  5.4246 20.350  6.2461 -7.273474      8.272873 
1 1 1 24 5  10 o 43.465  2.4201 14.974   1.6425  13.814   2.1804  16.497   2.4973  41.519  3.3793 45.351  3.5407 -3.832001      4.894480 
1 1 1 24 5  11 o 78.051  1.8037 47.970   2.2069  47.634   2.9075  48.428   3.3898  77.643  2.3887 78.181  2.7658 -0.5381699     3.654541 
1 1 1 24 5  12 o 118.471 1.5611 110.397  2.8993  113.745  3.9284  106.392  4.2968  120.091 2.0867 116.044 2.3620 4.047462       3.151663 
1 1 1 24 5  13 o 33.312  2.4933 8.8241   1.2926  8.8471   1.7970  8.7994   1.8608  33.126  3.5140 32.998  3.6588 0.1285019      5.072957 
1 1 1 24 5  14 o 21.953  3.6191 3.9451   1.2021  2.9456   1.5931  5.2668   1.8320  18.731  5.2267 25.111  4.8291 -6.379896      7.116138 
1 1 1 24 5  15 o 39.984  2.2203 12.661   1.3862  14.236   1.9815  11.151   1.9401  42.230  3.0128 37.264  3.3571 4.965721       4.510759 
1 1 1 24 5  16 o 29.307  2.7473 6.8663   1.2474  5.8209   1.6940  8.1045   1.8438  26.602  4.2017 31.602  3.7977 -5.000641      5.663646 
1 1 1 24 5  17 f 16.929  4.3785 2.3977   1.1707  1.7788   1.5819  3.1474   1.7409  15.405  5.3529 19.326  5.4890 -3.921776      7.666977 
1 1 1 24 5  18 o 32.201  2.6076 8.2659   1.3051  7.7758   1.7589  8.8664   1.9467  30.963  3.6967 33.052  3.8278 -2.089046      5.321423 
1 1 1 24 5  19 o 41.313  2.1289 13.510   1.3741  14.549   1.9560  12.497   1.9308  42.693  2.9404 39.502  3.1440 3.191185       4.304768 
1 1 1 24 5  20 f 28.968  2.8356 6.7243   1.2712  6.1231   1.7616  7.3775   1.8363  27.254  4.2627 30.050  3.9972 -2.795483      5.843650 
1 1 1 24 5  21 o 59.953  1.6648 28.303   1.5647  27.959   2.1190  28.716   2.3202  59.470  2.2729 60.226  2.4575 -0.7562599     3.347429 
1 1 1 24 5  22 o 10.507  4.2783 0.3809   1.1082  -1.2991  1.4546  2.7053   1.7109  8.9944  4.1963 18.034  5.5280 -9.039123      6.940316 
1 1 1 24 5  23 o 59.943  1.7384 28.313   1.6336  27.293   2.1046  29.859   2.5909  58.742  2.2854 61.332  2.6947 -2.590736      3.533340 
1 1 1 24 5  24 o 11.495  4.3953 0.7654   1.1048  -0.3045  1.4596  2.2004   1.6904  10.455  4.5996 16.619  5.5383 -6.163869      7.199241 
1 1 1 24 5  25 o 11.137  4.4271 0.5702   1.1564  1.8994   1.5619  -1.0425  1.7204  15.629  5.3235 10.337  4.7297 5.291669       7.121034 
1 1 1 24 5  26 f 56.990  1.6384 25.588   1.4637  25.148   2.0462  26.049   2.0947  56.355  2.3162 57.352  2.3298 -0.9970894     3.285201 
1 1 1 24 5  27 o 30.834  2.4728 7.5885   1.1852  8.2547   1.6407  6.8613   1.7141  31.944  3.3250 28.927  3.8774 3.017279       5.107841 
1 1 1 24 5  28 o 16.086  4.3158 2.1779   1.1109  2.6352   1.5498  1.6946   1.5932  17.666  5.2281 15.096  5.3619 2.570205       7.488891 
1 1 1 24 5  29 o 30.158  2.5146 7.2727   1.1780  8.3327   1.6597  6.1964   1.6723  32.063  3.3514 27.393  4.0132 4.669834       5.228562 
1 1 1 24 5  30 o 43.441  1.9079 14.911   1.2993  15.036   1.8358  14.786   1.8391  43.365  2.7141 42.993  2.7430 0.3721924      3.858788 
1 1 1 24 5  31 o 59.073  1.6234 27.519   1.5034  25.857   2.0815  29.332   2.1737  57.080  2.3261 60.809  2.2802 -3.729393      3.257339 
1 1 1 24 5  32 o 47.367  1.8655 17.734   1.3852  15.918   1.9012  19.789   2.0224  44.585  2.7333 49.777  2.6007 -5.191814      3.772873 
1 1 1 24 5  33 o 33.134  2.4528 8.7815   1.2650  9.8413   1.6799  7.3934   1.9225  34.885  3.1043 29.790  4.2359 5.094124       5.251590 
1 1 1 24 5  34 o 52.320  1.8100 21.643   1.4846  22.048   2.0316  21.178   2.1747  52.617  2.4629 51.416  2.7076 1.200523       3.660200 
1 1 1 24 5  35 o 56.122  1.7338 24.894   1.5255  24.299   2.2499  25.401   2.0753  55.163  2.6018 56.498  2.3431 -1.335323      3.501333 
1 1 1 24 5  36 o 51.201  1.8406 20.751   1.4773  21.436   2.1679  20.157   2.0186  51.690  2.6846 50.166  2.5755 1.523762       3.720235 
1 1 1 24 5  37 o 34.099  2.4144 9.3207   1.2823  7.8240   1.8224  10.788   1.8046  30.687  3.8746 36.407  3.1942 -5.720366      5.021453 
1 1 1 24 5  38 o 23.250  3.3968 4.4758   1.2015  4.6723   1.7399  4.2967   1.6613  23.143  4.9458 22.189  4.9062 0.9542465      6.966436 
1 1 1 24 5  39 o 30.025  2.6152 7.2819   1.2187  6.8280   1.7373  7.7215   1.7099  28.517  3.9959 30.514  3.6469 -1.997274      5.409874 
1 1 1 24 5  40 o 27.030  3.0594 5.9875   1.2736  5.1020   1.7070  7.0994   1.9128  24.250  4.6594 28.863  4.3635 -4.612644      6.383567 
1 1 1 24 5  41 o 19.323  4.1077 3.2164   1.2060  1.2346   1.7124  5.1668   1.6987  13.867  5.4259 24.381  4.6134 -10.51410      7.122091 
1 1 1 24 5  42 o 23.114  3.4400 4.4686   1.2085  7.1879   1.7864  2.1743   1.6409  29.125  4.0198 15.970  5.4564 13.15451       6.777223 
1 1 1 24 5  43 o 28.735  2.8694 6.7585   1.2753  6.5298   1.9091  6.9429   1.7137  27.367  4.6140 28.623  3.9223 -1.256525      6.055859 
1 1 1 24 5  44 o 13.249  4.6519 1.4098   1.1962  1.1625   1.6965  1.6543   1.6868  13.551  5.3699 14.629  5.4670 -1.078503      7.663151 
1 1 1 24 5  45 f 36.396  2.4148 10.711   1.3700  12.979   2.0255  8.7974   1.8600  39.580  3.2944 32.282  3.7449 7.297413       4.987734 
1 1 1 24 5  46 o 33.546  2.5783 9.1556   1.3456  6.3977   1.8894  11.994   1.9167  26.914  4.6460 38.032  3.2459 -11.11872      5.667535 
1 1 1 24 5  47 o 12.831  4.7870 1.2348   1.2922  0.7901   2.0123  1.5470   1.6857  13.397  5.6364 14.259  5.4347 -0.8614426     7.829727 
1 1 1 24 5  48 o 48.116  2.0793 18.558   1.5684  18.044   2.3819  18.952   2.0839  46.584  3.2827 48.140  2.7731 -1.555954      4.297209 
1 1 1 24 5  49 o 15.990  4.8743 2.3128   1.3325  3.0402   2.0377  1.7693   1.7613  17.937  6.0806 14.798  5.5754 3.139043       8.249783 
1 1 1 24 5  50 o 17.294  5.1772 2.7699   1.5133  0.9510   2.1609  4.5205   2.1200  13.853  5.8351 21.515  6.0386 -7.662515      8.397227 
1 1 1 24 5  51 o 24.691  4.0928 5.3317   1.5287  4.9718   1.9314  5.9354   2.5014  22.943  5.4506 24.313  6.4548 -1.369905      8.448286 
1 1 1 24 5  52 o 10.480  4.5835 0.0429   1.4307  0.7184   1.9573  -0.7322  2.0966  12.985  5.5159 11.321  5.1950 1.663847       7.577112 
1 1 1 24 5  53 o 10.254  4.5315 -0.0746  1.4321  0.9715   1.8766  -1.5332  2.2160  13.203  5.4906 10.760  5.0704 2.443319       7.473668 
1 1 1 24 5  54 o 22.250  4.5874 4.5221   1.5470  3.2821   1.9913  6.4096   2.4568  18.181  6.0088 25.151  6.2568 -6.969522      8.674830 
1 1 1 24 5  55 o 12.330  4.8937 1.0511   1.4109  0.6778   1.8578  1.5598   2.1689  12.519  5.3471 14.537  5.9597 -2.017882      8.006891 
1 1 1 24 5  56 o 18.157  4.7488 3.1195   1.3671  2.8671   1.9309  3.3732   1.9358  16.938  5.9124 18.178  5.9205 -1.239796      8.367146 
1 1 1 24 5  57 f 11.764  4.8138 0.8620   1.4117  -0.9262  2.0198  2.5696   1.9738  10.601  4.9456 16.093  5.9334 -5.491347      7.724215 
1 1 1 24 6  0  o 16.909  7.4841 3.3110   2.0901  3.3110   2.0901  3.3110   2.0901  16.909  7.4841 16.909  7.4841 0.000000       0.000000 
1 1 1 24 6  1  o 37.294  2.6376 11.071   1.5321  13.067   2.0896  8.7505   2.2530  40.358  3.3327 32.625  4.5270 7.732529       5.621431 
1 1 1 24 6  2  o 50.510  2.2995 20.159   1.8208  19.496   2.5573  20.841   2.5932  49.351  3.3248 51.053  3.2571 -1.702053      4.654364 
1 1 1 24 6  3  o 49.326  2.2306 19.217   1.7248  21.037   2.3487  17.085   2.5413  51.390  2.9275 46.118  3.5420 5.271702       4.595210 
1 1 1 24 6  4  o 34.408  2.8669 9.4594   1.5324  11.024   2.3353  8.2763   2.0306  36.815  4.1169 31.823  4.1708 4.992199       5.860405 
1 1 1 24 6  5  o 35.205  2.5545 9.8625   1.4002  11.090   2.1197  8.9123   1.8651  37.053  3.6987 33.194  3.6440 3.858395       5.192258 
1 1 1 24 6  6  o 87.358  1.5938 60.053   2.1827  63.766   3.3022  57.173   2.9087  89.812  2.3454 85.091  2.1806 4.721107       3.202423 
1 1 1 24 6  7  o 14.715  4.6391 1.7417   1.1955  -0.1277  1.8424  3.1012   1.5712  12.119  5.2519 19.165  5.1286 -7.045813      7.340672 
1 1 1 24 6  8  o 53.271  1.8605 22.364   1.5537  25.637   2.5248  20.370   1.9712  56.832  2.8338 50.733  2.4785 6.099743       3.764764 
1 1 1 24 6  9  o 74.843  1.5427 44.072   1.8100  42.992   2.6864  44.969   2.4494  73.744  2.3238 75.487  2.0699 -1.743073      3.111953 
1 1 1 24 6  10 o 58.321  1.7065 26.785   1.5602  29.044   2.3590  25.029   2.0801  60.572  2.4843 56.257  2.3586 4.314987       3.425627 
1 1 1 24 6  11 o 62.227  1.6278 30.482   1.5880  33.150   2.3711  28.311   2.1383  64.747  2.3360 59.848  2.2792 4.898941       3.263688 
1 1 1 24 6  12 o 68.758  1.5843 37.209   1.7077  39.017   2.5147  35.662   2.3265  70.253  2.2833 67.183  2.2090 3.070763       3.176959 
1 1 1 24 6  13 o 12.943  4.5712 1.2079   1.1564  0.8043   1.6686  1.5810   1.6042  13.267  5.3036 14.904  5.3711 -1.637476      7.548265 
1 1 1 24 6  14 o 16.943  4.3571 2.4084   1.1638  0.9713   1.7639  3.5163   1.5487  13.867  5.4818 20.381  4.9062 -6.513200      7.356719 
1 1 1 24 6  15 o 19.103  4.1065 3.0491   1.1932  -0.2978  1.7042  6.2674   1.6712  11.362  4.9851 27.648  3.9696 -16.28526      6.372539 
1 1 1 24 6  16 f 31.348  2.5833 7.8435   1.2582  7.7557   1.8746  7.9154   1.6974  30.801  3.9751 31.256  3.5257 -0.4547825     5.313356 
1 1 1 24 6  17 o 23.150  3.3978 4.3716   1.1964  4.3266   1.7474  4.4113   1.6414  22.573  5.0628 22.887  4.7313 -0.3132114     6.929394 
1 1 1 24 6  18 o 42.093  2.0580 13.995   1.3580  13.852   1.9605  14.126   1.8828  41.589  3.0278 42.045  2.8738 -0.4554558     4.174531 
1 1 1 24 6  19 o 35.333  2.3546 9.9286   1.2967  8.6476   1.8686  11.119   1.8010  32.604  3.7226 37.206  3.1166 -4.601810      4.854945 
1 1 1 24 6  20 o 20.608  3.8850 3.5275   1.2091  4.3529   1.7207  2.7227   1.6992  22.633  4.9846 18.023  5.5065 4.609493       7.427516 
1 1 1 24 6  21 o 32.575  2.4527 8.4610   1.2433  9.8603   1.8234  7.2450   1.6998  34.932  3.3716 29.792  3.7206 5.140192       5.021000 
1 1 1 24 6  22 o 53.754  1.7723 22.791   1.4935  21.106   2.1802  24.281   2.0501  51.444  2.7129 55.349  2.3628 -3.904755      3.597567 
1 1 1 24 6  23 f 30.990  2.5914 7.6825   1.2474  9.8972   1.8875  5.9652   1.6621  34.937  3.4930 26.860  4.0753 8.077198       5.367414 
1 1 1 24 6  24 o 9.2247  4.0564 -0.2393  1.1340  1.5662   1.6634  -1.8071  1.5500  14.886  5.4531 8.7571  4.1603 6.128622       6.858918 
1 1 1 24 6  25 o 60.296  1.6624 28.670   1.5713  31.325   2.3955  26.665   2.0818  62.810  2.4328 57.992  2.2899 4.818039       3.340999 
1 1 1 24 6  26 f 34.074  2.4639 9.2720   1.3073  9.3850   1.9134  9.1730   1.7903  33.913  3.6569 33.597  3.4480 0.3158684      5.026112 
1 1 1 24 6  27 o 29.504  2.6528 6.9895   1.2139  6.1736   1.7687  7.7159   1.6690  27.193  4.2914 30.744  3.5268 -3.551220      5.554623 
1 1 1 24 6  28 o 15.505  4.5646 2.0217   1.1841  2.0706   1.7498  1.9804   1.6082  16.199  5.6298 15.780  5.4018 0.4187994      7.802160 
1 1 1 24 6  29 f 50.228  1.9626 19.969   1.5454  21.814   2.4174  18.695   2.0097  52.091  2.9726 48.333  2.6627 3.758797       3.990759 
1 1 1 24 6  30 o 24.665  3.4217 5.0004   1.2874  6.9010   2.0253  3.7117   1.6677  28.541  4.6894 20.656  5.1640 7.885683       6.975478 
1 1 1 24 6  31 o 80.701  1.6611 51.438   2.1015  55.801   3.5347  49.053   2.6136  83.535  2.6992 78.620  2.1206 4.915146       3.432575 
1 1 1 24 6  32 o 28.881  2.9696 6.7696   1.3254  7.9841   2.1034  5.9700   1.7068  30.764  4.4940 26.640  4.2282 4.123377       6.170388 
1 1 1 24 6  33 o 34.552  2.6863 9.6157   1.4436  9.7956   2.1164  9.4592   1.9742  34.327  4.0082 33.828  3.7877 0.4989548      5.514748 
1 1 1 24 6  34 f 36.951  2.5023 10.962   1.4409  11.518   2.0761  10.446   2.0015  37.427  3.5822 35.603  3.6372 1.824261       5.104988 
1 1 1 24 6  35 o 43.994  2.1590 15.407   1.4890  17.274   2.3339  14.125   1.9338  46.035  3.2549 41.742  2.9746 4.293362       4.409418 
1 1 1 24 6  36 o 10.500  4.3624 0.3383   1.1831  0.8624   1.8328  -0.0361  1.5491  13.448  5.4919 11.017  4.7950 2.431525       7.290657 
1 1 1 24 6  37 o 16.491  4.8554 2.3749   1.3397  1.9818   2.2646  2.5866   1.6617  16.362  6.2842 17.181  5.4750 -0.8188019     8.334693 
1 1 1 24 6  38 o 17.712  4.5135 2.7501   1.2568  2.0361   1.9822  3.2302   1.6253  16.038  5.9396 18.969  5.2745 -2.930693      7.943503 
1 1 1 24 6  39 o 36.819  2.5293 10.953   1.4511  13.105   2.2805  9.4885   1.8809  39.635  3.7136 33.737  3.6126 5.897732       5.180888 
1 1 1 24 6  40 o 9.0766  4.0914 -0.4494  1.2298  -1.1613  1.8867  0.0765   1.6216  10.447  4.8416 11.326  4.9177 -0.8797417     6.901080 
1 1 1 24 6  41 o 31.715  2.8155 8.2247   1.3852  8.5246   2.1105  7.9977   1.8361  31.396  4.4096 30.704  3.9028 0.6925755      5.888635 
1 1 1 24 6  42 o 23.899  3.7434 4.8637   1.3564  3.8007   2.0605  5.6767   1.8019  20.020  6.0520 25.312  4.7146 -5.291285      7.671646 
1 1 1 24 6  43 o 37.213  2.6285 11.275   1.5235  12.770   2.5953  10.489   1.8819  38.396  4.3906 35.428  3.4315 2.968307       5.572474 
1 1 1 24 6  44 f 31.493  3.0929 8.2206   1.5073  11.296   2.4176  6.2650   1.9278  36.057  4.3661 26.452  4.8267 9.604490       6.508491 
1 1 1 24 6  45 o 74.627  2.0474 44.623   2.3953  46.172   3.5181  43.285   3.2704  74.990  2.9926 72.742  2.8679 2.247887       4.144911 
1 1 1 24 6  46 o 15.194  5.3261 2.0171   1.5677  1.6509   2.1289  2.4509   2.3172  15.028  5.9965 16.757  6.3754 -1.729066      8.752356 
1 1 1 24 6  47 o 30.380  3.6870 7.8701   1.7200  8.3884   2.4886  7.3961   2.3799  30.007  5.4926 28.040  5.6101 1.967907       7.851240 
1 1 1 24 6  48 o 12.521  4.9860 1.0058   1.4692  3.1222   2.3314  -0.3882  1.8922  18.024  6.4771 11.217  5.0638 6.806688       8.221662 
1 1 1 24 6  49 o 17.790  5.2665 2.9805   1.5725  2.8928   2.7148  3.0248   1.9290  17.652  6.8527 17.746  5.9165 -0.9381676E-01 9.053425 
1 1 1 24 6  50 o 32.541  3.0842 8.8480   1.5546  5.4944   2.2407  11.960   2.1586  23.545  6.0409 37.356  3.7361 -13.81058      7.102848 
1 1 1 24 6  51 o 23.482  4.4881 4.9859   1.5919  5.5429   2.2472  4.4247   2.2555  23.545  6.0542 20.771  6.3438 2.773827       8.769092 
1 1 1 24 6  52 o 16.422  5.0356 2.5453   1.4195  3.8177   2.1169  1.5055   1.9136  19.326  6.1817 14.139  5.6699 5.186933       8.388170 
1 1 1 24 6  53 o 8.9790  4.1787 -0.8709  1.4281  1.1787   2.1474  -2.4964  1.9124  13.813  5.8175 8.9412  4.3414 4.871819       7.258910 
1 1 1 24 6  54 o 47.875  2.4517 18.830   1.8339  19.009   2.6308  18.661   2.5578  46.878  3.6075 46.533  3.5326 0.3442726      5.049134 
1 1 1 24 6  55 o 9.6614  4.4134 -0.4462  1.4903  -3.0426  2.4388  1.1011   1.8827  9.8604  4.8133 13.045  5.4682 -3.184856      7.284834 
1 1 1 24 7  0  o 104.143 2.0110 85.349   3.2804  85.349   3.2804  85.349   3.2804  104.143 2.0110 104.143 2.0110 0.000000       0.000000 
1 1 1 24 7  1  o 58.354  1.6937 26.827   1.5494  24.831   2.1686  28.909   2.2144  55.980  2.4711 60.437  2.3372 -4.456837      3.401310 
1 1 1 24 7  2  o 26.636  2.9979 5.7175   1.2300  4.5443   1.7108  6.9729   1.7697  23.199  4.8599 29.174  3.9728 -5.975016      6.277082 
1 1 1 24 7  3  o 35.163  2.4116 9.8370   1.3213  7.7808   1.8404  12.025   1.8983  30.869  3.8894 38.702  3.1562 -7.833557      5.008914 
1 1 1 24 7  4  o 52.071  1.7937 21.376   1.4642  20.879   2.1168  21.832   2.0275  51.224  2.6450 52.490  2.4639 -1.266331      3.614842 
1 1 1 24 7  5  o 29.241  2.6967 6.8451   1.2222  5.3080   1.7445  8.3271   1.7129  25.198  4.5851 32.075  3.4614 -6.876772      5.744908 
1 1 1 24 7  6  o 57.185  1.7220 25.771   1.5438  25.591   2.2319  25.935   2.1376  56.817  2.5058 57.228  2.3827 -0.4109726     3.457787 
1 1 1 24 7  7  o 32.360  2.5861 8.3593   1.3010  8.5164   1.8745  8.2132   1.8071  32.344  3.7674 31.778  3.6965 0.5663662      5.277988 
1 1 1 24 7  8  o 51.423  1.9149 20.867   1.5437  20.206   2.1345  21.593   2.2351  50.362  2.7136 52.054  2.7488 -1.692760      3.862537 
1 1 1 24 7  9  o 64.268  1.7785 32.566   1.7919  32.286   2.3951  32.923   2.7006  63.840  2.3932 64.381  2.6758 -0.5416183     3.589861 
1 1 1 24 7  10 o 10.183  4.3274 0.0804   1.2057  0.7466   1.6107  -0.7685  1.8182  12.945  5.1981 11.045  4.9770 1.899786       7.196599 
1 1 1 24 7  11 o 9.4007  4.1244 -0.2297  1.1665  -0.6254  1.5124  0.3513   1.8328  10.132  4.5550 12.828  5.3871 -2.695263      7.054709 
1 1 1 24 7  12 o 30.465  2.8467 7.4500   1.3438  8.4476   1.6823  5.6916   2.2336  32.312  3.3708 25.704  5.6932 6.608088       6.616272 
1 1 1 24 7  13 o 63.300  2.1124 31.683   2.0962  32.433   2.9760  30.944   2.9530  63.773  2.9768 62.274  3.0248 1.498638       4.243901 
1 1 1 24 7  14 o 87.145  1.8160 59.918   2.4809  56.608   3.2237  64.725   3.8853  84.484  2.4340 90.194  2.7479 -5.709724      3.670865 
1 1 1 24 7  15 o 52.559  2.0967 21.847   1.7276  21.405   2.4736  22.268   2.4139  51.679  3.0670 52.764  2.9298 -1.085155      4.241484 
1 1 1 24 7  16 o 18.552  4.5115 2.9178   1.2994  2.2847   1.9283  3.4444   1.7587  17.055  5.9110 20.013  5.4558 -2.958632      8.043947 
1 1 1 24 7  17 o 31.418  3.0790 7.9628   1.4970  8.2341   2.2812  7.7576   1.9839  31.352  4.7937 30.624  4.2467 0.7279320      6.404285 
1 1 1 24 7  18 o 42.601  2.2709 14.424   1.5111  16.390   2.2987  12.928   2.0053  45.097  3.2739 40.043  3.2218 5.053387       4.593289 
1 1 1 24 7  19 o 49.890  2.0693 19.695   1.6184  19.736   2.4411  19.663   2.1618  49.539  3.1598 49.584  2.7925 -0.4442978E-01 4.216883 
1 1 1 24 7  20 o 62.851  1.7439 31.178   1.7183  31.104   2.4685  31.248   2.3933  62.543  2.5177 62.717  2.4342 -0.1740341     3.501977 
1 1 1 24 7  21 o 9.5114  4.1301 -0.1055  1.1439  -0.0477  1.5163  -0.1818  1.7428  11.038  4.7740 11.582  5.0623 -0.5437088     6.958255 
1 1 1 24 7  22 o 86.343  1.5523 58.775   2.1011  60.560   2.9419  56.917   3.0017  87.413  2.1468 84.693  2.2609 2.720947       3.117757 
1 1 1 24 7  23 o 26.253  3.1394 5.6069   1.2664  5.0240   1.7186  6.2996   1.8733  24.309  4.6796 27.353  4.5271 -3.043741      6.511024 
1 1 1 24 7  24 o 12.317  4.6880 0.9457   1.2533  0.5723   1.6525  1.4512   1.9228  12.591  5.1867 15.032  5.7862 -2.440905      7.770543 
1 1 1 24 7  25 o 16.646  4.5416 2.3671   1.2181  -0.3336  1.6542  5.5660   1.8003  11.002  4.8656 25.582  4.6607 -14.58061      6.737723 
1 1 1 24 7  26 o 53.287  1.9152 22.482   1.5999  23.534   2.2673  21.439   2.2578  54.265  2.6653 51.673  2.7976 2.591766       3.863984 
1 1 1 24 7  27 o 32.584  2.6234 8.5375   1.3287  11.067   1.8558  5.8769   1.9033  36.895  3.2413 26.187  4.8137 10.70805       5.803266 
1 1 1 24 7  28 o 14.683  4.7098 1.7869   1.2281  0.9440   1.6859  2.7397   1.7926  13.358  5.3343 17.834  5.6870 -4.476012      7.797167 
1 1 1 24 7  29 o 88.774  1.5689 62.244   2.1835  61.349   3.0361  63.203   3.1425  87.810  2.2055 89.100  2.2498 -1.289909      3.150512 
1 1 1 24 7  30 o 33.165  2.6791 8.8743   1.3810  7.3596   1.9052  10.551   2.0046  29.553  4.2333 35.779  3.6239 -6.225733      5.572551 
1 1 1 24 7  31 o 14.940  4.7936 1.8754   1.2721  1.2550   1.7826  2.5191   1.8160  14.151  5.5364 17.165  5.7407 -3.013817      7.975422 
1 1 1 24 7  32 o 29.646  2.9766 7.1680   1.3647  9.7436   1.9281  4.5822   1.9319  34.300  3.6416 22.595  5.5048 11.70438       6.600257 
1 1 1 24 7  33 o 24.568  3.3645 5.0069   1.2617  6.4785   1.7584  3.4449   1.8116  27.617  4.1933 19.542  5.6155 8.074280       7.008405 
1 1 1 24 7  34 o 33.194  2.6842 8.9299   1.3848  8.7389   1.8455  9.1760   2.0949  32.365  3.7041 32.929  4.1505 -0.5632019     5.563012 
1 1 1 24 7  35 o 25.495  3.3506 5.4042   1.3067  7.5610   1.8540  3.2753   1.8420  29.853  4.0674 18.962  5.7198 10.89096       7.018597 
1 1 1 24 7  36 o 14.027  4.9529 1.5870   1.3575  0.4238   1.8681  2.8888   1.9762  12.607  5.3727 17.908  5.9886 -5.301335      8.045472 
1 1 1 24 7  37 f 15.589  4.8641 2.1338   1.3180  3.3715   1.7685  0.5878   1.9766  19.139  5.5626 13.106  5.5538 6.033483       7.860463 
1 1 1 24 7  38 o 32.058  2.9529 8.4456   1.4673  7.8242   2.0147  9.1474   2.1412  30.025  4.4120 32.575  4.2980 -2.550106      6.159389 
1 1 1 24 7  39 o 24.317  4.2060 5.1401   1.5453  6.6152   2.0458  3.1800   2.3582  27.155  4.9896 18.474  6.5275 8.681255       8.216038 
1 1 1 24 7  40 o 12.525  4.9531 0.9891   1.4406  3.3980   1.9293  -2.0462  2.1657  18.953  5.8804 10.303  4.9015 8.649891       7.655250 
1 1 1 24 7  41 o 11.012  4.6387 0.3913   1.3658  0.6515   1.7455  -0.0197  2.1936  12.520  5.2574 12.568  5.5784 -0.4782867E-01 7.665495 
1 1 1 24 7  42 o 21.974  4.4770 4.3072   1.4898  2.4239   1.9242  7.1260   2.3541  16.443  5.8870 27.548  5.6410 -11.10524      8.153372 
1 1 1 24 7  43 o 43.681  2.3417 15.454   1.5977  14.468   2.2972  16.378   2.2235  41.388  3.5756 44.347  3.2204 -2.958500      4.812028 
1 1 1 24 7  44 f 11.286  4.6388 0.6139   1.3181  2.0875   1.9197  -0.7006  1.8131  15.597  5.8315 10.589  4.8487 5.007864       7.583930 
1 1 1 24 7  45 o 15.105  5.0634 2.0456   1.4128  1.0686   2.1666  2.7683   1.8634  13.972  5.8618 17.129  5.8148 -3.157586      8.256646 
1 1 1 24 7  46 o 27.367  3.3234 6.3318   1.3966  7.4446   1.9671  5.2008   1.9831  28.899  4.4875 23.348  5.5073 5.551352       7.104058 
1 1 1 24 7  47 f 26.905  3.3767 6.1470   1.3928  6.1872   1.9222  6.1026   2.0210  25.957  4.9035 25.525  5.2267 0.4327507      7.166790 
1 1 1 24 7  48 o 26.188  3.5719 5.8945   1.4282  7.4031   1.9928  4.3015   2.0478  28.630  4.5955 20.733  5.9742 7.897497       7.537218 
1 1 1 24 7  49 o 31.722  3.0065 8.4268   1.4773  6.3187   2.0241  10.829   2.1609  25.886  5.1689 35.183  3.9884 -9.297623      6.528753 
1 1 1 24 7  50 o 9.2507  4.1947 -0.3992  1.3151  -1.1439  1.8514  0.3591   1.8682  10.018  4.6936 12.006  5.2446 -1.987437      7.038139 
1 1 1 24 7  51 o 25.676  3.6316 5.7522   1.4210  6.4913   2.0195  5.0275   1.9997  26.079  5.1225 22.367  5.6896 3.712053       7.655777 
1 1 1 24 7  52 o 24.707  4.0618 5.4973   1.5185  7.5391   2.0629  3.0819   2.2436  28.307  4.8213 17.167  6.3265 11.14011       7.954203 
1 1 1 24 7  53 o 9.6629  4.3306 -0.1418  1.3557  -0.4870  1.8337  0.2743   2.0134  10.543  4.8454 11.942  5.3201 -1.399579      7.195867 
1 1 1 24 8  0  o 40.574  3.1039 13.229   1.9477  13.229   1.9477  13.229   1.9477  40.574  3.1039 40.574  3.1039 0.000000       0.000000 
1 1 1 24 8  1  o 46.243  1.9526 16.898   1.4155  16.274   2.0051  17.517   1.9987  45.091  2.8513 46.826  2.7346 -1.735241      3.950635 
1 1 1 24 8  2  o 34.359  2.4112 9.4124   1.2905  8.9821   1.8468  9.8229   1.8041  33.215  3.6046 34.838  3.3444 -1.622784      4.917150 
1 1 1 24 8  3  o 46.256  1.9193 16.904   1.3917  14.931   1.9050  19.162   2.0381  43.188  2.8294 49.003  2.6631 -5.815411      3.885569 
1 1 1 24 8  4  o 57.524  1.7052 26.099   1.5377  28.111   2.1756  24.091   2.1737  59.539  2.3309 55.065  2.5181 4.473553       3.431318 
1 1 1 24 8  5  o 45.049  2.0780 16.056   1.4675  17.779   1.9274  13.678   2.2637  47.209  2.6145 41.077  3.5502 6.131908       4.409034 
1 1 1 24 8  6  o 63.125  1.6749 31.425   1.6575  32.129   2.2406  30.575   2.4634  63.674  2.2446 62.023  2.5335 1.651360       3.384815 
1 1 1 24 8  7  f 50.745  1.8668 20.339   1.4851  20.934   1.9986  19.606   2.2192  51.332  2.4836 49.487  2.8729 1.845154       3.797631 
1 1 1 24 8  8  o 10.348  4.2894 0.2851   1.1400  -0.4032  1.5568  1.0810   1.6740  10.606  4.7039 13.768  5.3710 -3.162230      7.139579 
1 1 1 24 8  9  o 22.546  3.5921 4.1914   1.2270  2.5784   1.6250  6.3307   1.8714  17.492  5.3916 27.494  4.4975 -10.00161      7.021170 
1 1 1 24 8  10 f 51.930  1.8443 21.301   1.5014  19.207   2.0060  23.968   2.2639  49.055  2.6180 54.867  2.6321 -5.812271      3.712363 
1 1 1 24 8  11 o 7.6968  3.6510 -1.3701  1.1849  -1.8440  1.6412  -0.8541  1.7125  9.0570  4.2964 10.501  4.7713 -1.444182      6.420647 
1 1 1 24 8  12 o 23.677  3.7127 4.6331   1.3328  5.6873   2.0072  3.8018   1.7824  25.758  5.1508 20.934  5.3968 4.824062       7.460254 
1 1 1 24 8  13 o 53.932  1.8628 22.987   1.5749  25.197   2.2255  20.771   2.2291  56.273  2.5228 50.930  2.8027 5.342709       3.770864 
1 1 1 24 8  14 o 60.682  1.7845 29.085   1.6976  30.662   2.3865  27.471   2.4152  62.094  2.4517 58.713  2.6240 3.381306       3.591086 
1 1 1 24 8  15 o 46.810  2.0617 17.356   1.5129  16.682   2.1282  18.044   2.1512  45.538  2.9980 47.403  2.9089 -1.865368      4.177236 
1 1 1 24 8  16 o 55.841  1.9450 24.676   1.7027  23.420   2.5154  25.738   2.3132  53.980  2.9841 56.821  2.5969 -2.840252      3.955834 
1 1 1 24 8  17 o 40.177  2.2525 12.857   1.4130  14.434   2.0178  11.339   1.9793  42.300  3.0635 37.332  3.4201 4.968021       4.591536 
1 1 1 24 8  18 o 14.812  4.8711 1.7836   1.3092  0.6101   1.7214  3.3936   2.0163  12.845  5.2928 19.703  5.9937 -6.857664      7.996099 
1 1 1 24 8  19 o 79.001  1.6836 49.297   2.0851  47.933   2.7793  51.053   3.1536  77.652  2.2831 80.021  2.5139 -2.368599      3.395924 
1 1 1 24 8  20 o 29.478  3.0666 7.0585   1.3964  9.8257   1.9098  3.8799   2.0469  34.632  3.5689 20.905  5.9569 13.72676       6.944189 
1 1 1 24 8  21 o 16.291  4.7740 2.2683   1.2978  0.9651   1.6177  4.6221   2.1741  13.254  5.2465 22.717  6.0115 -9.462436      7.978916 
1 1 1 24 8  22 o 17.025  4.8482 2.5001   1.3563  1.7804   1.7112  3.7162   2.2244  15.304  5.5424 20.413  6.3109 -5.108274      8.399175 
1 1 1 24 8  23 o 23.430  4.0940 4.6338   1.4490  4.4273   1.8473  4.9641   2.3362  22.407  5.3355 23.379  6.2526 -0.9720592     8.219616 
1 1 1 24 8  24 o 10.607  4.5940 -0.0203  1.4080  0.1980   1.6897  -0.5161  2.5467  11.916  5.0948 13.288  5.9468 -1.372114      7.830768 
1 1 1 24 8  25 o 37.281  2.6056 11.187   1.5133  12.394   2.1290  9.9533   2.1514  38.839  3.5353 34.523  4.0522 4.315762       5.377648 
1 1 1 24 8  26 o 36.711  2.8012 10.902   1.6000  11.703   2.1559  9.9209   2.3870  37.619  3.7038 34.150  4.5735 3.468693       5.885159 
1 1 1 24 8  27 o 45.167  2.5920 16.419   1.8277  17.604   2.6193  15.294   2.5514  46.198  3.6463 42.934  3.8310 3.264740       5.288915 
1 1 1 24 8  28 o 9.3651  4.3450 -1.0877  1.5257  -0.0538  2.0980  -2.2480  2.2225  12.600  5.5295 10.486  4.9818 2.113426       7.442628 
1 1 1 24 8  29 o 10.989  4.7879 -0.0279  1.5480  -0.1564  2.1580  0.1084   2.2219  12.588  5.5627 13.118  5.7253 -0.5307550     7.982651 
1 1 1 24 8  30 o 14.532  5.0617 1.7223   1.4148  0.0792   2.0245  3.2909   1.9780  12.533  5.4676 19.008  5.9635 -6.474986      8.090582 
1 1 1 24 8  31 o 30.798  3.4151 7.8743   1.6211  6.6491   2.7100  8.5570   2.0229  26.395  6.5741 31.705  4.1714 -5.309496      7.785816 
1 1 1 24 8  32 o 22.355  4.7715 4.4315   1.6213  5.5462   2.6594  3.7721   2.0453  23.853  6.7875 20.096  6.0194 3.756985       9.072101 
1 1 1 24 8  33 o 23.304  4.4128 4.7471   1.5531  3.7160   2.1789  5.8121   2.2143  19.830  6.2642 25.016  5.7647 -5.186308      8.513035 
1 1 1 24 8  34 o 32.311  3.6099 8.7721   1.7972  7.7953   2.3509  10.146   2.7879  29.352  5.3044 33.395  5.5180 -4.043276      7.654111 
1 1 1 24 8  35 o 18.773  5.3343 3.2537   1.6438  2.3752   2.1018  4.6373   2.6377  16.603  6.1226 21.553  6.9011 -4.949987      9.225572 
1 1 1 24 8  36 o 26.940  4.6915 6.4476   1.9094  3.6838   2.5531  9.9552   2.8762  19.466  6.7984 32.650  5.8332 -13.18436      8.957925 
1 1 1 24 8  37 o 14.540  5.1444 1.7915   1.4652  2.7999   2.0127  0.6545   2.1371  17.398  6.0384 13.398  5.7291 4.000004       8.323792 
1 1 1 24 8  38 o 33.949  3.1510 9.5901   1.6579  7.5447   2.1732  12.438   2.5641  28.876  4.9807 37.700  4.4226 -8.823908      6.660889 
1 1 1 24 8  39 o 7.5903  3.6624 -1.7718  1.3077  -0.6365  1.7521  -3.1998  1.9650  10.501  4.7924 8.7135  4.2677 1.787424       6.417168 
1 1 1 24 8  40 o 13.112  4.9695 1.3081   1.4045  0.6283   1.8917  2.1431   2.0967  12.722  5.4138 15.864  6.0576 -3.141564      8.124265 
1 1 1 24 8  41 o 11.449  4.7628 0.5818   1.4127  -0.6348  1.8917  2.1160   2.1243  10.874  4.9693 15.792  6.0810 -4.917817      7.853159 
1 1 1 24 8  42 o 55.406  2.1127 24.713   1.8351  25.990   2.4988  23.217   2.7037  56.159  2.8476 52.642  3.2927 3.517429       4.353268 
1 1 1 24 8  43 o 25.276  3.8871 5.5631   1.4909  8.4733   2.0078  1.9866   2.2258  31.010  4.2414 15.568  6.1567 15.44142       7.476284 
1 1 1 24 8  44 o 13.647  5.2587 1.4529   1.5895  3.5449   2.1684  -0.9768  2.3368  18.770  6.2730 11.587  5.3765 7.183085       8.261782 
1 1 1 24 8  45 o 25.159  4.0780 5.5950   1.5533  6.0077   2.0017  4.9704   2.4627  25.209  5.2364 21.712  6.6282 3.496555       8.447086 
1 1 1 24 8  46 o 27.189  3.7766 6.4408   1.5663  8.0802   2.0136  3.9292   2.4923  29.979  4.4168 19.262  6.7175 10.71656       8.039506 
1 1 1 24 8  47 o 12.392  4.8780 1.1082   1.3912  1.6415   1.8391  0.3948   2.1271  14.226  5.6057 12.599  5.5475 1.626194       7.886656 
1 1 1 24 8  48 o 13.703  5.0283 1.6432   1.4151  -0.4323  1.9384  4.0113   2.0706  11.019  5.0335 19.591  6.0941 -8.571724      7.904063 
1 1 1 24 8  49 o 19.711  4.6362 3.6721   1.4086  4.1627   1.9783  3.1677   2.0061  19.976  5.9055 17.456  6.0302 2.520130       8.440322 
1 1 1 24 8  50 o 28.633  3.3240 7.0919   1.4643  4.7478   1.9998  9.8014   2.1500  21.299  5.8226 32.754  4.2903 -11.45494      7.232509 
1 1 1 24 8  51 o 29.376  3.3036 7.4956   1.4950  4.4473   2.0425  11.013   2.1940  20.218  6.0062 34.795  4.1009 -14.57697      7.272685 
1 1 1 24 9  0  o 97.515  2.3813 75.094   3.6354  75.094   3.6354  75.094   3.6354  97.515  2.3813 97.515  2.3813 0.000000       0.000000 
1 1 1 24 9  1  f 28.157  3.4517 6.4941   1.4917  9.6933   2.2564  4.0102   1.9882  34.113  4.3158 21.324  5.7958 12.78963       7.226188 
1 1 1 24 9  2  o 40.475  2.5576 13.111   1.6145  13.002   2.3550  13.206   2.2177  39.811  3.8203 40.245  3.5515 -0.4340134     5.216125 
1 1 1 24 9  3  o 47.282  2.1067 17.728   1.5616  18.612   2.1370  16.716   2.2875  48.139  2.8444 45.454  3.2313 2.684784       4.304832 
1 1 1 24 9  4  o 34.854  2.6591 9.7536   1.4420  11.966   1.9784  7.2464   2.1061  38.384  3.3206 29.232  4.7598 9.152821       5.803583 
1 1 1 24 9  5  o 45.372  2.2887 16.401   1.6226  15.535   2.0707  17.779   2.6120  43.889  3.0280 46.703  3.5952 -2.813766      4.700447 
1 1 1 24 9  6  o 44.595  2.2547 15.839   1.5711  18.560   2.1502  12.723   2.3012  48.053  2.8675 39.384  3.7735 8.669151       4.739352 
1 1 1 24 9  7  f 38.742  2.4126 11.994   1.4580  13.210   1.9533  10.464   2.1910  40.417  3.1066 35.582  3.9971 4.835545       5.062394 
1 1 1 24 9  8  o 43.453  2.2868 15.052   1.5523  13.014   2.0722  17.658   2.3432  40.017  3.3335 46.703  3.2202 -6.686165      4.634838 
1 1 1 24 9  9  o 20.979  4.1092 3.7201   1.3031  2.5712   1.7059  5.3298   2.0191  17.389  5.5480 24.701  5.3677 -7.312103      7.719597 
1 1 1 24 9  10 o 57.598  1.9423 26.279   1.7538  27.609   2.3427  24.584   2.6454  58.818  2.5407 55.200  3.0691 3.618057       3.984309 
1 1 1 24 9  11 o 19.181  4.5869 3.1688   1.3606  5.5081   1.8542  0.4392   2.0029  25.322  4.8475 13.267  5.6045 12.05532       7.410058 
1 1 1 24 9  12 o 22.200  4.0896 4.1599   1.3709  4.5317   1.8661  3.7241   2.0205  22.720  5.3310 20.472  5.9444 2.248402       7.984689 
1 1 1 24 9  13 o 25.137  3.5383 5.2234   1.3557  4.1506   1.7925  6.6572   2.0724  21.727  5.3081 27.831  4.9303 -6.104622      7.244598 
1 1 1 24 9  14 o 59.402  1.8866 27.954   1.7569  29.461   2.3826  26.159   2.6009  60.739  2.5022 56.974  2.9218 3.764301       3.846851 
1 1 1 24 9  15 o 11.929  4.6802 0.7951   1.2767  0.3466   1.7251  1.3382   1.8984  12.297  5.1985 14.631  5.7163 -2.333613      7.726601 
1 1 1 24 9  16 o 51.752  2.0118 21.260   1.6321  24.978   2.2678  17.264   2.3509  55.866  2.5894 46.058  3.2772 9.807846       4.176746 
1 1 1 24 9  17 o 57.267  1.9338 26.014   1.7361  25.870   2.3597  26.183   2.5632  56.814  2.6494 56.977  2.8790 -0.1624603     3.912568 
1 1 1 24 9  18 o 39.033  2.4896 12.232   1.5155  13.300   2.1059  11.084   2.1825  40.326  3.3618 36.543  3.8686 3.783710       5.125256 
1 1 1 24 9  19 o 15.301  4.8954 1.9777   1.3275  0.9342   1.8167  3.1733   1.9445  13.576  5.4961 18.895  5.9102 -5.319427      8.070726 
1 1 1 24 9  20 o 56.316  1.9428 25.185   1.7152  26.734   2.3454  23.403   2.5149  57.733  2.5914 53.735  2.9974 3.997803       3.962281 
1 1 1 24 9  21 o 8.8107  4.0586 -0.8375  1.2965  -2.8714  1.7521  1.6242   1.9276  8.4208  4.1038 15.158  5.8034 -6.737309      7.107759 
1 1 1 24 9  22 o 27.654  3.2399 6.2993   1.3779  6.7712   1.8832  5.7555   2.0215  28.135  4.4151 25.477  5.2364 2.657402       6.849343 
1 1 1 24 9  23 o 18.429  4.6350 2.9832   1.3378  2.6136   1.7838  3.4583   2.0225  17.277  5.6860 19.487  6.0166 -2.209572      8.278241 
1 1 1 24 9  24 o 50.368  2.0746 20.222   1.6381  18.316   2.1843  22.671   2.4765  47.453  2.9508 52.775  3.0058 -5.322163      4.212115 
1 1 1 24 9  25 o 18.299  4.6017 2.9530   1.3188  3.9085   1.7834  1.8002   1.9589  20.742  5.4235 15.454  5.8660 5.288147       7.989024 
1 1 1 24 9  26 o 19.162  4.8795 3.2796   1.4697  2.1952   1.9607  4.6702   2.2204  16.281  5.9271 22.279  6.1539 -5.997896      8.544089 
1 1 1 24 9  27 o 12.863  5.0370 1.0544   1.4765  0.5335   1.8439  1.9854   2.4651  12.712  5.3742 16.417  6.4834 -3.705090      8.421201 
1 1 1 24 9  28 o 15.072  5.2600 1.9138   1.5282  1.8601   1.9207  2.0063   2.5227  15.403  5.8178 16.467  6.5411 -1.063988      8.754000 
1 1 1 24 9  29 o 10.215  4.6440 -0.6286  1.6254  0.0914   1.9367  -2.3442  2.9895  12.180  5.3296 12.245  5.8058 -0.6552219E-01 7.881139 
1 1 1 24 9  30 o 15.850  5.3787 2.2117   1.5944  2.7938   1.9708  1.1088   2.7127  17.486  5.9797 15.238  6.4837 2.248278       8.820152 
1 1 1 24 9  31 o 49.447  2.3469 19.701   1.8193  20.763   2.3870  18.230   2.8101  50.217  3.0466 46.338  3.9048 3.879349       4.952674 
1 1 1 24 9  32 o 16.586  5.2208 2.5083   1.5147  2.3139   2.0038  2.7674   2.3135  16.295  5.9828 17.458  6.4258 -1.163885      8.779777 
1 1 1 24 9  33 o 30.448  3.4311 7.8070   1.6092  7.5964   2.0526  8.1429   2.5921  29.242  4.6321 29.326  5.8434 -0.8414459E-01 7.456683 
1 1 1 24 9  34 o 16.189  5.3585 2.3920   1.5834  3.2478   2.0536  1.1374   2.4865  18.372  6.1035 14.699  6.2290 3.673492       8.720861 
1 1 1 24 9  35 o 44.055  2.6733 15.888   1.8375  15.880   2.4257  15.898   2.8149  43.306  3.6057 42.719  4.2600 0.5869675      5.581147 
1 1 1 24 9  36 o 28.086  3.7572 6.7826   1.6128  7.5319   2.1258  5.7664   2.4756  28.799  4.8832 23.871  6.4587 4.927658       8.096889 
1 1 1 24 9  37 f 25.375  4.2074 5.6847   1.6150  4.6247   1.9648  7.8930   2.8360  21.849  5.6826 27.888  6.5911 -6.039289      8.702550 
1 1 1 24 9  38 o 13.252  5.2740 1.2187   1.6429  2.2468   2.0780  -0.4954  2.6833  15.948  6.0446 12.895  5.9025 3.052232       8.448467 
1 1 1 24 9  39 o 43.053  2.8781 15.344   1.9313  19.657   2.5195  9.1989   3.0073  48.308  3.3475 30.101  6.5584 18.20709       7.363295 
1 1 1 24 9  40 o 34.806  3.3010 10.231   1.7796  12.591   2.4177  7.4397   2.6289  37.898  4.1366 27.176  6.2945 10.72239       7.532085 
1 1 1 24 9  41 o 29.279  3.7562 7.4280   1.6843  8.2232   2.2082  6.3216   2.6045  29.912  4.8772 24.573  6.6147 5.339582       8.218362 
1 1 1 24 9  42 o 43.352  2.8362 15.593   1.9169  11.894   2.5242  20.632   2.9463  36.337  4.5296 48.750  3.8875 -12.41299      5.969056 
1 1 1 24 9  43 o 14.812  5.5065 1.9577   1.7069  0.8589   2.4723  2.9585   2.3595  13.878  6.0485 17.227  6.4603 -3.349450      8.849883 
1 1 1 24 9  44 o 9.1549  4.2972 -1.0931  1.5646  0.4055   2.1482  -2.7861  2.2833  12.616  5.5639 9.7462  4.7349 2.869631       7.305908 
1 1 1 24 9  45 o 15.197  5.2993 2.1944   1.5510  1.1854   2.1487  3.2919   2.2411  13.694  5.7962 17.702  6.3517 -4.007967      8.598802 
1 1 1 24 9  46 o 34.970  3.1470 10.417   1.7067  10.929   2.3613  9.8553   2.4698  34.502  4.4708 32.104  5.0760 2.397942       6.764159 
1 1 1 24 9  47 o 10.688  4.7173 0.1568   1.5471  -1.1118  2.1647  1.4813   2.2119  10.681  5.0267 14.035  5.9073 -3.353749      7.756495 
1 1 1 24 9  48 o 13.231  5.1993 1.4971   1.5780  4.2622   2.2648  -1.1114  2.1998  19.325  6.4093 10.685  5.0401 8.640210       8.153643 
1 1 1 24 10 0  o 8.9643  5.9297 -0.3569  2.1740  -0.3569  2.1740  -0.3569  2.1740  8.9643  5.9297 8.9643  5.9297 0.000000       0.000000 
1 1 1 24 10 1  o 22.258  4.3824 4.2475   1.4747  7.6546   2.1992  1.4638   1.9878  29.810  4.8745 15.006  5.8532 14.80385       7.617121 
1 1 1 24 10 2  o 28.014  3.4764 6.4806   1.4939  4.0129   2.1368  8.8400   2.0894  21.037  6.1144 32.428  4.2094 -11.39126      7.423308 
1 1 1 24 10 3  o 19.751  4.6552 3.3934   1.4178  1.2071   1.9967  5.6166   2.0135  14.515  5.8020 25.261  5.2557 -10.74581      7.828550 
1 1 1 24 10 4  o 10.258  4.4975 -0.1599  1.3851  -0.9868  1.9166  0.7442   2.0041  10.887  4.9850 13.685  5.6811 -2.798161      7.558099 
1 1 1 24 10 5  o 21.964  4.1960 4.1153   1.3921  3.9927   1.8902  4.2606   2.0580  21.100  5.6155 21.696  5.8965 -0.5960789     8.142629 
1 1 1 24 10 6  o 18.888  4.6035 3.1046   1.3507  3.8717   1.8703  2.2685   1.9526  20.776  5.6107 16.677  5.9345 4.098730       8.166944 
1 1 1 24 10 7  o 28.777  3.2262 6.7943   1.4304  5.4337   1.9103  8.5306   2.1580  24.901  5.0659 31.686  4.4684 -6.785078      6.754960 
1 1 1 24 10 8  o 13.121  4.8683 1.2235   1.3329  0.2088   1.8019  2.4497   1.9808  12.219  5.2437 17.109  5.9874 -4.889990      7.958928 
1 1 1 24 10 9  o 10.671  4.5372 0.1818   1.3268  -0.2527  1.7847  0.7187   1.9837  11.434  5.0556 13.557  5.6422 -2.123066      7.575804 
1 1 1 24 10 10 o 41.455  2.3705 13.779   1.5342  14.561   2.0609  12.807   2.2976  42.272  3.1323 39.294  3.7764 2.978222       4.906375 
1 1 1 24 10 11 o 26.394  3.6265 5.8068   1.4609  9.1937   2.0351  2.2062   2.0983  33.115  4.0014 16.642  6.1205 16.47296       7.312426 
1 1 1 24 10 12 o 26.103  3.5224 5.6667   1.4046  7.6117   1.9422  3.5339   2.0338  29.955  4.2555 19.731  6.0235 10.22395       7.375044 
1 1 1 24 10 13 o 21.311  4.1366 3.8917   1.3321  3.2727   1.8267  4.5948   1.9468  19.066  5.6836 22.557  5.5447 -3.491081      7.940236 
1 1 1 24 10 14 o 34.206  2.7339 9.4841   1.4538  10.161   1.9814  8.6951   2.1395  34.966  3.6694 31.935  4.3897 3.030169       5.721367 
1 1 1 24 10 15 o 31.081  3.1486 7.9309   1.5130  6.4662   2.1436  9.3848   2.1357  26.977  5.2577 33.292  4.1847 -6.314604      6.719764 
1 1 1 24 10 16 o 18.814  4.6472 3.1179   1.3626  4.4745   1.8505  1.5114   2.0137  22.271  5.3641 14.982  5.8778 7.289558       7.957525 
1 1 1 24 10 17 o 12.943  4.8170 1.2096   1.3069  1.0065   1.7156  1.4905   2.0175  13.358  5.3644 14.924  5.8744 -1.566493      7.955183 
1 1 1 24 10 18 o 17.298  4.8782 2.6572   1.3800  1.1621   1.8325  4.6159   2.0975  13.901  5.5577 22.300  5.9062 -8.399455      8.109958 
1 1 1 24 10 19 o 21.961  4.7682 4.2716   1.5945  3.9810   2.0458  4.7213   2.5450  20.667  5.9759 22.125  6.7344 -1.457878      9.003530 
1 1 1 24 10 20 o 13.218  5.1126 1.1771   1.5068  1.4303   1.9150  0.7655   2.4416  14.544  5.7237 14.420  6.1437 0.1247349      8.396818 
1 1 1 24 10 21 o 41.957  2.7735 14.330   1.8139  14.448   2.2779  14.126   2.9989  41.666  3.5203 40.178  4.8602 1.488449       6.001118 
1 1 1 24 10 22 o 45.930  2.7789 17.182   1.9915  18.729   2.6611  15.212   3.0025  47.360  3.6114 41.823  4.6587 5.537563       5.894498 
1 1 1 24 10 23 o 13.966  5.0149 1.5759   1.3973  0.9318   1.8826  2.3658   2.0850  13.430  5.5346 16.613  6.1023 -3.182548      8.238326 
1 1 1 24 10 24 o 30.366  3.2444 7.6733   1.5206  7.9368   2.1071  7.3869   2.1964  30.042  4.6223 28.656  5.0751 1.385790       6.864618 
1 1 1 24 10 25 o 12.878  5.0515 1.1002   1.4870  1.0596   1.9797  1.1527   2.2525  13.796  5.6792 14.464  6.0153 -0.6685743     8.272675 
1 1 1 24 10 26 o 8.8179  4.1334 -1.1571  1.4392  -2.1845  1.8217  0.5485   2.3472  9.0958  4.3721 13.690  5.9303 -4.594003      7.367701 
1 1 1 24 10 27 o 12.005  4.8621 0.7978   1.4223  2.3808   1.7732  -2.0583  2.3818  16.269  5.6666 10.850  5.1554 5.418582       7.660862 
1 1 1 24 10 28 o 42.766  2.5113 14.881   1.6763  14.571   2.1249  15.392   2.7276  41.792  3.2694 42.174  4.1806 -0.3821869     5.307218 
1 1 1 24 10 29 o 40.326  2.5585 13.268   1.6091  12.949   2.0703  13.754   2.5572  39.259  3.3974 39.824  4.1572 -0.5658607     5.368890 
1 1 1 24 10 30 o 9.5462  4.2862 -0.3260  1.3346  -2.1506  1.7063  2.5497   2.1421  8.6873  4.1897 16.722  6.1781 -8.034813      7.464762 
1 1 1 24 10 31 o 23.048  4.2986 4.7261   1.4960  1.5363   2.0416  8.4245   2.1984  14.560  5.8503 30.579  4.7394 -16.01862      7.529148 
1 1 1 24 10 32 o 39.166  2.6110 12.574   1.5940  18.233   2.2086  6.4206   2.3029  46.856  3.0228 25.700  5.8474 21.15600       6.582557 
1 1 1 24 10 33 o 7.8119  3.7907 -2.0842  1.4519  -0.6043  2.0085  -3.7041  2.1013  11.182  5.1141 8.7301  4.3029 2.452229       6.683471 
1 1 1 24 10 34 o 31.246  3.1859 8.2146   1.5388  8.8503   2.0846  7.4535   2.2809  31.584  4.3236 28.092  5.3752 3.492687       6.898282 
1 1 1 24 10 35 o 25.278  4.0050 5.6204   1.5342  6.3863   1.9909  4.5008   2.4072  26.204  5.0295 20.734  6.5878 5.469723       8.288249 
1 1 1 24 10 36 o 25.462  3.9188 5.6848   1.5141  4.7333   2.0380  6.8569   2.2619  21.809  5.8430 26.646  5.5930 -4.837246      8.088393 
1 1 1 24 10 37 o 13.183  5.0290 1.3757   1.4442  1.9278   1.9610  0.7216   2.1347  15.032  5.8274 13.167  5.6796 1.865011       8.137354 
1 1 1 24 10 38 o 9.4995  4.3072 -0.4063  1.3863  -2.2784  1.8438  2.0285   2.1027  8.9281  4.3178 15.317  6.0072 -6.388618      7.397995 
1 1 1 24 10 39 f 13.939  5.2014 1.6683   1.5258  2.5558   1.9116  0.1106   2.5327  16.274  5.8633 13.031  5.8729 3.242974       8.298732 
1 1 1 24 10 40 o 22.961  4.5516 4.8678   1.5804  4.3843   2.0027  5.6659   2.5732  20.696  5.8905 22.738  6.7383 -2.041973      8.950072 
1 1 1 24 10 41 o 17.293  5.2245 2.9355   1.5359  2.5714   1.9393  3.5482   2.5155  16.166  5.8933 18.128  6.6956 -1.962393      8.919751 
1 1 1 24 10 42 o 27.281  4.1259 6.7152   1.7094  6.7332   2.2500  6.6906   2.6291  25.826  5.7092 24.640  6.6513 1.185574       8.765528 
1 1 1 24 10 43 o 12.138  4.9856 0.9709   1.5214  3.1526   1.9363  -2.5492  2.4595  17.322  5.9271 10.214  4.9511 7.107903       7.722926 
1 1 1 24 10 44 o 11.224  4.7408 0.6375   1.4328  -0.9992  1.8814  2.8976   2.2108  10.040  4.7126 16.497  6.2391 -6.457336      7.818847 
1 1 1 24 10 45 o 10.077  4.4887 0.0283   1.4330  -0.7610  1.9136  1.0359   2.1621  10.314  4.8124 13.097  5.6826 -2.783116      7.446528 
1 1 1 24 11 0  o 66.744  2.7542 35.506   2.8706  35.506   2.8706  35.506   2.8706  66.744  2.7542 66.744  2.7542 0.000000       0.000000 
1 1 1 24 11 1  o 7.4402  3.6729 -3.1503  1.5517  -4.1553  2.2721  -2.2720  2.1242  9.1498  4.5029 10.096  4.8172 -0.9466228     6.594051 
1 1 1 24 11 2  o 55.800  2.1485 24.877   1.8795  26.718   2.7332  23.225   2.5886  57.203  3.0589 53.286  3.1124 3.917027       4.363991 
1 1 1 24 11 3  o 20.198  4.6570 3.6059   1.4444  4.3351   2.1017  2.9532   1.9884  21.550  5.9999 18.094  6.0057 3.456078       8.489211 
1 1 1 24 11 4  o 15.764  5.2896 2.1384   1.5418  -0.7823  2.0532  5.9157   2.3349  11.417  5.2017 25.208  5.9958 -13.79131      7.937742 
1 1 1 24 11 5  o 13.551  5.0723 1.3486   1.4532  0.4064   2.0058  2.3897   2.1083  12.932  5.5406 16.847  6.1441 -3.914721      8.273402 
1 1 1 24 11 6  o 46.160  2.3918 17.152   1.7249  16.521   2.3987  17.828   2.4821  44.672  3.4520 46.427  3.4347 -1.755001      4.869602 
1 1 1 24 11 7  f 9.8622  4.4292 -0.4258  1.4260  1.2502   2.0336  -2.0471  2.0002  14.424  5.8236 9.8946  4.7080 4.529378       7.488615 
1 1 1 24 11 8  o 50.377  2.1671 20.300   1.7115  22.258   2.3450  18.068   2.5036  52.285  2.8719 46.711  3.4432 5.573479       4.483713 
1 1 1 24 11 9  o 9.6761  4.3790 -0.5390  1.4251  -0.5877  1.8604  -0.4700  2.2168  11.058  5.0040 12.216  5.5011 -1.157971      7.436587 
1 1 1 24 11 10 o 25.305  4.4591 5.5831   1.7043  3.4573   2.2080  8.7166   2.6806  19.230  6.3259 30.825  5.7591 -11.59532      8.554770 
1 1 1 24 11 11 o 31.468  3.5334 8.2849   1.7129  7.0713   2.1563  10.361   2.8201  28.138  5.0750 33.839  5.5054 -5.701344      7.487690 
1 1 1 24 11 12 o 31.160  3.6773 8.1737   1.7617  9.0685   2.2421  6.7300   2.8480  32.277  4.5580 26.106  6.8669 6.170938       8.241908 
1 1 1 24 11 13 o 34.420  3.8399 10.024   2.0366  11.379   2.5028  7.3684   3.5042  36.215  4.5058 26.414  7.8716 9.800964       9.069953 
1 1 1 24 11 14 o 46.532  2.8646 17.697   2.0795  18.095   2.7627  17.177   3.1585  46.313  3.8399 44.447  4.5995 1.866093       5.991673 
1 1 1 24 11 15 o 27.163  3.9210 6.3136   1.6213  6.6307   2.1864  5.9261   2.4167  26.924  5.3684 24.811  6.2240 2.113411       8.219310 
1 1 1 24 11 16 o 26.766  3.8611 6.1265   1.5733  9.2838   2.1772  2.6759   2.2761  32.697  4.3559 17.337  6.3747 15.35979       7.720774 
1 1 1 24 11 17 o 14.465  5.1661 1.7448   1.4809  2.4574   1.9670  0.8121   2.2501  16.634  5.9524 13.911  5.9119 2.722365       8.389360 
1 1 1 24 11 18 o 33.689  2.9831 9.3708   1.5592  10.090   2.0285  8.3326   2.4373  34.427  3.8233 30.159  5.3512 4.267927       6.576650 
1 1 1 24 11 19 o 9.7016  4.3316 -0.2772  1.3427  0.2149   1.7989  -0.8962  2.0176  11.901  5.1734 11.004  5.0668 0.8962526      7.241343 
1 1 1 24 11 20 o 26.227  3.5399 5.8401   1.4182  5.8307   1.8985  5.8519   2.1334  25.326  4.9592 24.913  5.5988 0.4133034      7.479348 
1 1 1 24 11 21 o 52.093  2.1296 21.810   1.7392  19.935   2.2926  24.352   2.6693  49.141  2.9902 54.174  3.1567 -5.033115      4.348140 
1 1 1 24 11 22 o 23.642  3.8885 4.8494   1.3911  4.3373   1.8157  5.5771   2.1644  21.421  5.4067 24.069  5.8038 -2.648186      7.931993 
1 1 1 24 11 23 f 33.732  2.8870 9.4100   1.5119  8.3777   2.0260  10.708   2.2714  30.868  4.3038 35.009  4.2239 -4.141325      6.030305 
1 1 1 24 11 24 o 41.460  2.4638 14.005   1.5942  12.811   2.1353  15.508   2.3961  38.874  3.5428 42.732  3.6107 -3.858391      5.058479 
1 1 1 24 11 25 o 52.463  2.2218 22.223   1.8273  21.932   2.3648  22.654   2.8788  51.485  2.9422 51.692  3.5745 -0.2063141     4.629629 
1 1 1 24 11 26 o 35.594  2.7665 10.456   1.5315  12.157   2.0843  8.4587   2.2579  37.795  3.5598 30.442  4.8973 7.352594       6.054403 
1 1 1 24 11 27 o 15.219  5.0463 2.1153   1.4040  1.9317   1.8570  2.3604   2.1452  15.045  5.7113 16.178  6.1392 -1.133061      8.385066 
1 1 1 24 11 28 o 45.906  2.3958 17.172   1.7182  16.677   2.3265  17.767   2.5482  44.427  3.3655 45.638  3.5907 -1.210495      4.921350 
1 1 1 24 11 29 o 10.366  4.5664 -0.0021  1.4431  -2.4738  1.9404  3.0569   2.1587  9.0977  4.4070 17.588  6.2419 -8.489976      7.640870 
1 1 1 24 11 30 o 16.838  5.1572 2.6944   1.4894  1.3637   2.0748  4.1094   2.1394  14.122  5.8139 20.039  6.1882 -5.916639      8.490881 
1 1 1 24 11 31 o 31.060  3.5717 8.2945   1.7075  7.7856   2.4258  8.7941   2.4038  28.314  5.6630 30.592  5.1983 -2.277357      7.687098 
1 1 1 24 11 32 o 10.890  4.7550 0.1734   1.5342  0.3626   2.2448  0.0075   2.1016  12.841  5.6742 12.069  5.4016 0.7724266      7.834143 
1 1 1 24 11 33 o 43.724  2.6980 15.804   1.8403  15.605   2.4339  16.069   2.8120  42.513  3.6885 42.485  4.2804 0.2753830E-01  5.650380 
1 1 1 24 11 34 o 25.238  4.2515 5.7352   1.6223  4.6815   2.2371  6.9040   2.3561  21.111  6.2890 26.278  5.8678 -5.166399      8.601264 
1 1 1 24 11 35 o 25.907  4.2796 6.0649   1.6774  7.7414   2.2744  4.0655   2.4839  28.383  5.3067 19.321  6.7080 9.062086       8.553214 
1 1 1 24 11 36 o 23.788  4.7115 5.2910   1.6949  5.0844   2.2135  5.5838   2.6351  21.990  6.1699 22.320  6.8635 -0.3300533     9.229039 
1 1 1 24 11 37 o 13.872  5.1983 1.6961   1.5271  1.9600   2.1040  1.4022   2.2200  14.931  5.9601 14.092  5.9240 0.8384037      8.403383 
1 1 1 24 11 38 f 19.980  4.9187 3.8661   1.5303  6.4532   2.1576  1.2475   2.1707  25.351  5.5802 13.707  5.8150 11.64386       8.059390 
1 1 1 24 11 39 o 13.854  5.1649 1.7444   1.5037  2.2682   2.0003  1.0636   2.2804  15.297  5.8979 13.501  5.8469 1.795774       8.304908 
1 1 1 24 11 40 o 36.463  2.9400 11.282   1.6662  8.6476   2.2124  14.734   2.5328  30.029  4.8662 40.368  4.0571 -10.33911      6.335646 
1 1 1 24 11 41 o 6.9037  3.4406 -3.2314  1.4910  -5.3003  2.0771  -1.0322  2.1415  7.5712  3.8133 10.585  4.9870 -3.014160      6.277874 
1 1 1 24 11 42 o 22.734  4.4138 4.9202   1.5163  5.3034   2.0022  4.4047   2.3219  22.258  5.7101 19.244  6.4911 3.014091       8.645188 
1 1 1 24 12 0  o 13.219  8.2280 1.5865   3.4472  1.5865   3.4472  1.5865   3.4472  13.219  8.2280 13.219  8.2280 0.000000       0.000000 
1 1 1 24 12 1  o 40.505  4.6338 14.451   2.8894  16.839   4.3581  12.579   3.8597  41.081  7.0192 35.142  7.2467 5.938538       10.08884 
1 1 1 24 12 2  o 32.758  6.4271 10.435   3.1827  17.338   6.1013  7.8547   3.7304  36.886  10.206 26.490  8.1698 10.39581       13.07331 
1 1 1 24 12 3  f 23.917  6.4970 5.6992   2.4992  6.2900   5.3135  5.5314   2.8319  22.947  9.3587 23.078  7.1184 -0.1310558     11.75826 
1 1 1 24 12 4  o 31.175  4.9781 8.7598   2.3510  12.906   3.9832  6.5428   2.9125  35.368  7.4207 25.139  7.0857 10.22894       10.26029 
1 1 1 24 12 5  o 62.884  2.4471 32.003   2.4124  37.089   4.6058  30.079   2.8319  65.137  4.5389 60.501  2.9857 4.635338       5.432861 
1 1 1 24 12 6  o 28.248  4.1152 6.9316   1.7688  8.3507   2.8842  6.0761   2.2394  29.100  6.4877 25.259  5.7805 3.841015       8.689350 
1 1 1 24 12 7  o 28.793  3.5291 7.0229   1.5596  8.2972   2.2780  5.8987   2.1396  30.301  4.9679 25.001  5.5984 5.299669       7.484775 
1 1 1 24 12 8  o 38.842  2.7900 12.392   1.6876  12.159   2.4071  12.617   2.3665  37.454  4.1705 38.301  4.0004 -0.8467064     5.778951 
1 1 1 24 12 9  f 28.156  3.8011 6.8056   1.6349  8.4525   2.5178  5.6049   2.1497  30.078  5.5439 24.203  5.7508 5.874725       7.987854 
1 1 1 24 12 10 o 21.708  4.6942 4.2727   1.5509  3.2397   2.2366  5.2296   2.1525  18.299  6.3646 23.223  5.9006 -4.923859      8.679053 
1 1 1 24 12 11 o 16.537  5.0170 2.5175   1.4141  2.5946   1.9650  2.4347   2.0367  16.769  5.9549 16.442  6.0326 0.3263569      8.476559 
1 1 1 24 12 12 o 65.614  1.9179 34.467   1.9727  35.688   2.6847  33.034   2.9084  66.200  2.5869 63.358  2.9282 2.841904       3.907211 
1 1 1 24 12 13 o 46.753  2.3152 17.674   1.6969  18.162   2.2914  17.082   2.5251  46.704  3.1480 44.870  3.6206 1.834480       4.797771 
1 1 1 24 12 14 o 52.397  2.1690 22.124   1.7816  22.391   2.3965  21.795   2.6639  52.042  2.9496 50.960  3.3533 1.082458       4.465921 
1 1 1 24 12 15 o 16.011  4.9427 2.3604   1.3651  2.8281   1.8753  1.8333   1.9908  17.227  5.8334 15.050  5.8611 2.176470       8.269302 
1 1 1 24 12 16 o 16.394  5.0395 2.4973   1.4207  2.4440   1.9168  2.5624   2.1164  16.287  5.8709 16.640  6.1423 -0.3529644     8.496803 
1 1 1 24 12 17 o 37.300  2.6678 11.439   1.5497  11.449   2.0727  11.428   2.3337  36.580  3.6636 36.082  4.2045 0.4976997      5.576761 
1 1 1 24 12 18 o 22.895  4.2308 4.6723   1.4626  6.3289   1.9814  2.6889   2.1680  26.137  5.0181 16.872  6.2188 9.265148       7.990948 
1 1 1 24 12 19 o 8.1104  3.8671 -1.4462  1.3643  -2.3766  1.8080  -0.2156  2.0793  8.7770  4.2522 11.816  5.3238 -3.039303      6.813505 
1 1 1 24 12 20 o 15.339  5.1110 2.1674   1.4396  0.5825   1.9304  4.1534   2.1609  12.587  5.4154 20.178  6.2171 -7.590472      8.244940 
1 1 1 24 12 21 o 37.580  2.6720 11.643   1.5639  11.298   2.0929  12.079   2.3533  36.182  3.7440 37.077  4.1183 -0.8944397     5.565794 
1 1 1 24 12 22 o 19.226  4.7988 3.4581   1.4418  5.8654   1.9503  0.5571   2.1410  24.919  5.1623 12.943  5.6353 11.97559       7.642392 
1 1 1 24 12 23 o 18.647  4.8293 3.2686   1.4230  4.0081   1.9591  2.4429   2.0702  19.966  5.8695 16.164  6.0534 3.801771       8.431763 
1 1 1 24 12 24 o 14.134  5.0033 1.7740   1.3861  2.0315   1.8467  1.4419   2.0976  15.114  5.7055 14.235  5.8514 0.8790331      8.172626 
1 1 1 24 12 25 o 28.721  3.4699 7.0847   1.5307  7.1173   2.0333  7.0420   2.3253  27.700  4.8597 26.767  5.7154 0.9335060      7.502172 
1 1 1 24 12 26 o 12.476  4.9984 1.0661   1.4856  -0.6762  1.9749  3.3375   2.2549  10.881  5.0110 18.001  6.3805 -7.120774      8.112953 
1 1 1 24 12 27 o 12.630  5.0042 1.1519   1.4730  2.3708   1.9894  -0.3273  2.1914  15.867  5.9357 11.805  5.3768 4.061879       8.008882 
1 1 1 24 12 28 o 48.223  2.3742 18.980   1.7949  21.326   2.4342  16.185   2.6571  50.343  3.0994 42.877  3.9992 7.466591       5.059590 
1 1 1 24 12 29 o 13.322  5.0376 1.4799   1.4412  0.7927   1.8766  2.4682   2.2504  12.646  5.3870 16.107  6.2430 -3.461454      8.245902 
1 1 1 24 12 30 o 57.902  2.1175 27.177   1.9220  30.381   2.6407  23.568   2.8029  60.494  2.7845 52.453  3.4275 8.041538       4.416031 
1 1 1 24 12 31 o 28.069  3.8474 6.9682   1.6484  8.4589   2.2998  5.3934   2.3638  29.763  5.1134 22.347  6.4126 7.415171       8.201704 
1 1 1 24 12 32 o 17.320  5.0295 2.9313   1.4464  4.4387   1.9533  1.1016   2.1521  20.727  5.7889 13.493  5.7590 7.233848       8.165661 
1 1 1 24 12 33 o 22.756  4.9360 4.9903   1.7102  4.1265   2.2462  6.1815   2.6378  19.358  6.3811 23.329  6.7972 -3.971483      9.323122 
1 1 1 24 12 34 o 33.387  3.0441 9.4888   1.5758  9.3142   2.0731  9.7277   2.4250  31.943  4.2450 31.796  5.0327 0.1472702      6.583902 
1 1 1 24 12 35 o 9.5635  4.4111 -0.5750  1.5387  -1.5695  1.9211  1.2050   2.5700  9.5829  4.5747 13.976  6.1269 -4.392687      7.646373 
1 1 1 24 12 36 o 30.794  3.3743 8.2819   1.6022  6.0154   2.1290  11.243   2.4332  23.940  5.7458 34.489  4.6162 -10.54878      7.370431 
1 1 1 24 12 37 f 26.368  3.9598 6.3505   1.5862  6.7590   2.1549  5.8672   2.3436  25.562  5.5375 22.736  6.3377 2.825920       8.416084 
1 1 1 24 12 38 o 20.348  4.8560 4.1352   1.5275  4.7859   2.0224  3.2711   2.3306  20.757  5.9235 16.770  6.3906 3.987059       8.713642 
1 1 1 24 12 39 f 14.927  5.2111 2.3149   1.5000  3.4723   2.0378  0.9461   2.2161  17.286  6.0717 12.762  5.6386 4.523953       8.286049 
1 1 1 24 13 0  o 9.2431  5.9883 0.2041   2.0533  0.2041   2.0533  0.2041   2.0533  9.2431  5.9883 9.2431  5.9883 0.000000       0.000000 
1 1 1 24 13 1  o 22.461  4.5799 4.6082   1.5580  4.7855   2.2084  4.4324   2.1983  21.664  6.1924 20.805  6.2426 0.8595524      8.792983 
1 1 1 24 13 2  o 15.569  5.2261 2.2484   1.5051  4.3901   2.1584  0.2212   2.0998  20.752  6.1763 12.415  5.4869 8.336598       8.261479 
1 1 1 24 13 3  o 12.868  5.1576 1.1242   1.5826  2.1016   2.0729  -0.2414  2.4502  15.530  5.9995 12.591  5.7157 2.939092       8.286324 
1 1 1 24 13 4  o 10.837  4.7741 0.0449   1.5772  -1.4019  2.3143  1.2997   2.1552  11.072  5.2065 14.154  5.8849 -3.081819      7.857439 
1 1 1 24 13 5  o 20.925  5.1613 4.1683   1.6826  4.0983   2.2370  4.2597   2.5533  19.924  6.3528 20.004  6.8064 -0.8004379E-01 9.310495 
1 1 1 24 13 6  o 34.671  3.2937 10.173   1.7687  11.937   2.4290  8.1828   2.5805  36.663  4.3084 28.854  5.9037 7.808403       7.308653 
1 1 1 24 13 7  o 23.840  5.0361 5.3356   1.8232  4.9836   2.3753  5.8402   2.8444  21.820  6.4759 22.988  7.1411 -1.168150      9.640177 
1 1 1 24 13 8  o 8.2006  4.0372 -3.2036  1.8317  -3.2263  2.5312  -3.1787  2.6540  10.154  4.9448 10.485  5.0965 -0.3317919     7.101083 
1 1 1 24 13 9  o 14.776  5.6030 1.8875   1.7859  1.0599   2.3452  3.0301   2.7556  14.029  6.0003 17.550  6.8786 -3.520931      9.127888 
1 1 1 24 13 10 o 33.322  3.8711 9.6807   1.9845  8.4504   2.5853  11.446   3.0964  29.350  5.8245 34.037  6.0234 -4.687075      8.378886 
1 1 1 24 13 11 o 15.914  5.4856 2.3954   1.6597  3.7912   2.3341  0.9680   2.3603  19.041  6.5076 13.893  5.9825 5.147880       8.839626 
1 1 1 24 13 12 o 11.513  5.0115 0.3007   1.6924  -4.4566  2.3710  5.2422   2.4165  8.9698  4.4482 22.258  6.5118 -13.28791      7.886066 
1 1 1 24 13 13 o 20.894  5.6185 4.3290   1.8803  5.6214   2.9702  3.4648   2.4289  22.166  7.3392 18.253  6.6043 3.912981       9.873206 
1 1 1 24 13 14 o 12.181  5.0771 0.7975   1.6098  4.6130   2.2089  -3.5242  2.3509  21.040  6.2450 9.4562  4.6389 11.58421       7.779396 
1 1 1 24 13 15 o 14.588  5.3849 1.8969   1.6266  3.2561   2.1840  0.2039   2.4375  17.837  6.2840 12.964  5.8086 4.873236       8.557388 
1 1 1 24 13 16 o 8.8492  4.1800 -1.2471  1.5225  -1.8224  2.1626  -0.6819  2.1437  10.211  4.8686 11.287  5.2063 -1.076849      7.128055 
1 1 1 24 13 17 o 8.3660  4.0095 -1.6463  1.5072  -0.1583  2.2183  -2.9223  2.0542  12.054  5.4585 9.0265  4.4088 3.027321       7.016552 
1 1 1 24 13 18 o 26.284  4.0326 6.1470   1.6086  7.3978   2.3213  4.9915   2.2311  27.483  5.5784 21.834  6.2183 5.648329       8.353803 
1 1 1 24 13 19 o 8.9497  4.2129 -1.1434  1.5225  -2.8428  2.1551  0.5497   2.1511  9.3536  4.5568 12.810  5.6110 -3.456889      7.228283 
1 1 1 24 13 20 o 56.809  2.2472 26.253   2.0013  24.129   2.8119  28.434   2.8490  53.158  3.3919 58.053  3.1422 -4.894871      4.623684 
1 1 1 24 13 21 o 19.843  5.0075 3.7929   1.5577  2.6889   2.1914  4.9205   2.2147  16.489  6.2175 21.599  6.2097 -5.110758      8.787313 
1 1 1 24 13 22 o 10.158  4.5914 -0.2869  1.5612  0.1278   2.2436  -0.6761  2.1738  12.379  5.5578 11.292  5.2204 1.087301       7.625072 
1 1 1 24 13 23 o 28.826  3.5242 7.2148   1.5594  6.8122   2.1643  7.6495   2.2489  26.362  5.4180 28.098  5.2998 -1.736267      7.579087 
1 1 1 24 13 24 o 44.275  2.4794 16.155   1.7140  17.545   2.3399  14.545   2.5178  45.289  3.3189 40.440  4.0250 4.848648       5.216814 
1 1 1 24 13 25 o 14.782  5.1388 2.0708   1.4579  1.6600   1.9270  2.6207   2.2296  14.155  5.6851 16.209  6.2330 -2.053507      8.436234 
1 1 1 24 13 26 o 34.736  3.2595 10.349   1.7542  10.566   2.2497  10.013   2.8018  34.056  4.3102 31.336  5.9204 2.720858       7.323233 
1 1 1 24 13 27 o 15.476  5.1822 2.3460   1.4798  1.3977   1.9285  3.7042   2.3079  13.586  5.6006 18.292  6.4580 -4.705885      8.548241 
1 1 1 24 13 28 o 13.537  5.1518 1.6199   1.5134  2.0348   2.0682  1.1417   2.2203  14.844  5.9143 13.504  5.8087 1.340328       8.289745 
1 1 1 24 13 29 o 14.824  5.1531 2.1445   1.4660  2.8018   1.9668  1.3227   2.1992  16.347  5.9386 13.691  5.8320 2.655745       8.323396 
1 1 1 24 13 30 o 35.443  2.9456 10.687   1.6219  12.332   2.1812  8.6528   2.4256  37.158  3.7979 29.248  5.4919 7.910088       6.677159 
1 1 1 24 13 31 o 20.402  4.7780 4.0794   1.5013  3.8555   2.0338  4.3475   2.2254  18.590  6.0691 19.445  6.3487 -0.8540516     8.782922 
1 1 1 24 13 32 o 34.038  3.2971 10.119   1.7372  11.316   2.5185  9.0332   2.3995  34.130  4.8428 29.893  5.3151 4.236542       7.190479 
1 1 1 24 13 33 o 25.375  4.3102 6.0868   1.6532  6.3269   2.0830  5.6782   2.7176  24.517  5.5490 21.019  7.0227 3.497257       8.950418 
1 1 1 24 13 34 o 20.471  5.1204 4.3376   1.6390  3.4188   2.1189  5.7063   2.5861  17.059  6.1691 21.187  6.8385 -4.128630      9.209913 
1 1 1 24 13 35 o 23.697  4.6178 5.5402   1.6538  6.9282   2.2070  3.7626   2.4975  25.187  5.7199 17.174  6.5985 8.013081       8.732559 
1 1 1 24 14 0  f 9.7983  6.4353 0.0957   2.4899  0.0957   2.4899  0.0957   2.4899  9.7983  6.4353 9.7983  6.4353 0.000000       0.000000 
1 1 1 24 14 1  o 13.211  5.2030 1.3688   1.5835  0.4667   2.2212  2.3010   2.2581  12.773  5.6440 15.732  6.2076 -2.959527      8.389818 
1 1 1 24 14 2  o 8.9571  4.2236 -1.1748  1.5420  -1.5298  2.2271  -0.8478  2.1371  10.573  5.0125 11.017  5.1221 -0.4440355     7.166672 
1 1 1 24 14 3  o 11.703  5.0034 0.5656   1.6295  0.9476   2.2251  0.1238   2.3931  13.451  5.8004 12.661  5.7073 0.7896557      8.137457 
1 1 1 24 14 4  o 16.771  5.3253 2.7678   1.5731  1.0190   2.1968  4.6086   2.2538  13.509  5.7935 20.710  6.3442 -7.201142      8.591421 
1 1 1 24 14 5  o 20.258  4.9928 3.9567   1.5755  4.4654   2.2626  3.4780   2.1950  20.346  6.3772 18.129  6.3052 2.217525       8.967896 
1 1 1 24 14 6  o 15.561  5.3199 2.3336   1.5599  2.7135   2.1687  1.9264   2.2452  16.481  6.1911 15.030  6.1011 1.451389       8.692153 
1 1 1 24 14 7  o 9.8976  4.5454 -0.5727  1.6095  -2.0529  2.4104  0.6183   2.1621  10.565  5.0651 12.851  5.6272 -2.286764      7.571051 
1 1 1 24 14 8  o 9.0580  4.2376 -0.9590  1.5000  -0.7171  2.1537  -1.1870  2.0905  11.177  5.1774 10.533  4.9516 0.6432419      7.164081 
1 1 1 24 14 9  o 14.541  5.3066 1.9488   1.5730  1.3229   2.2109  2.5906   2.2385  13.966  5.8936 16.220  6.2433 -2.253855      8.585672 
1 1 1 24 14 10 o 15.552  5.3385 2.3410   1.5711  1.7444   2.2392  2.9193   2.2048  14.678  6.0409 16.867  6.2607 -2.188901      8.699954 
1 1 1 24 14 11 o 24.546  4.4501 5.5573   1.6493  4.4495   2.3486  6.6352   2.3167  20.101  6.5199 25.441  5.9200 -5.340391      8.806547 
1 1 1 24 14 12 o 8.9708  4.2176 -1.0693  1.5174  -1.6336  2.1571  -0.5165  2.1349  10.262  4.8846 11.327  5.2141 -1.065019      7.144641 
1 1 1 24 14 13 o 26.995  3.9141 6.4949   1.6081  6.4802   2.2471  6.5103   2.3024  25.217  5.8046 25.131  5.9383 0.8608055E-01  8.304053 
1 1 1 24 14 14 o 12.017  4.9768 0.8764   1.5328  2.5806   2.1663  -0.8320  2.1690  16.102  6.1552 11.044  5.1432 5.057464       8.021170 
1 1 1 24 14 15 f 33.762  3.1983 9.7463   1.6726  8.5970   2.3461  10.934   2.3851  29.784  5.2146 34.419  4.5306 -4.634811      6.907860 
1 1 1 24 14 16 o 10.937  4.6963 0.4284   1.4468  -0.9887  1.9356  2.2223   2.1778  10.272  4.8082 15.368  6.0860 -5.095882      7.756187 
1 1 1 24 14 17 f 24.387  4.2653 5.4587   1.5712  7.7575   2.0940  2.4968   2.3769  28.589  4.8454 15.924  6.3417 12.66504       7.980859 
1 1 1 24 14 18 o 28.873  3.7908 7.4071   1.6744  9.9326   2.1542  3.5530   2.6612  32.993  4.2648 17.765  6.8147 15.22769       8.039245 
1 1 1 24 14 19 o 8.8806  4.1897 -1.1099  1.5210  -0.3304  1.9631  -2.2806  2.4057  11.039  5.0513 10.256  4.9534 0.7827110      7.074680 
1 1 1 24 14 20 o 29.601  3.6142 7.7265   1.6424  6.3811   2.0749  9.9836   2.6874  25.212  5.4117 31.385  5.6707 -6.173233      7.838607 
1 1 1 24 14 21 o 22.443  4.8986 4.9043   1.6751  4.8596   2.2035  4.9655   2.5783  20.940  6.2425 20.440  6.8403 0.5005054      9.260578 
1 1 1 24 14 22 o 10.824  4.7436 0.2939   1.5394  -0.7456  1.9899  1.8433   2.4293  10.556  4.9192 14.657  6.1811 -4.101246      7.899640 
1 1 1 24 14 23 o 31.294  3.6170 8.6851   1.7418  7.0931   2.2389  11.125   2.7720  26.218  5.6165 33.117  5.5347 -6.899035      7.885323 
1 1 1 24 14 24 o 9.8444  4.4937 -0.3192  1.5414  0.0172   2.1330  -0.6870  2.2301  11.666  5.3101 11.093  5.1822 0.5737152      7.419704 
1 1 1 24 14 25 o 20.689  4.9440 4.2788   1.5816  3.8201   2.1420  4.8286   2.3453  18.226  6.2341 20.191  6.5119 -1.964724      9.014911 
1 1 1 24 14 26 o 29.333  3.8172 7.8113   1.7137  9.7580   2.3051  5.4061   2.5623  31.656  4.7951 20.869  6.8121 10.78732       8.330547 
1 1 1 24 14 27 o 18.043  5.4527 3.5032   1.6728  3.6424   2.2792  3.3407   2.4629  17.449  6.3846 16.715  6.5165 0.7337666      9.122887 
1 1 1 24 14 28 o 28.040  4.6995 7.7098   1.9927  8.4957   2.5377  6.4461   3.2181  27.723  6.0123 21.026  7.6027 6.697083       9.692714 
1 1 1 24 14 29 o 14.561  5.6170 2.2509   1.8151  1.7263   2.1208  3.6873   3.5094  13.692  5.7748 16.510  7.2009 -2.818350      9.230438 
1 1 1 24 14 30 o 15.423  5.8072 2.7168   1.9103  2.0508   2.2799  4.2859   3.4995  14.175  5.9835 16.993  7.3005 -2.817833      9.439252 
1 1 1 24 15 0  o 7.3289  5.1269 -1.7650  2.1895  -1.7650  2.1895  -1.7650  2.1895  7.3289  5.1269 7.3289  5.1269 0.000000       0.000000 
1 1 1 24 15 1  o 9.4814  4.4051 -0.7265  1.5765  1.0214   2.2365  -2.4529  2.2227  13.287  5.7722 9.6453  4.6827 3.641639       7.432717 
1 1 1 24 15 2  o 19.646  5.3253 3.9320   1.6812  5.5744   2.2981  2.0411   2.4659  22.465  6.2808 15.041  6.2777 7.423231       8.880248 
1 1 1 24 15 3  o 9.5831  4.4209 -0.5728  1.5466  -2.3616  2.2033  1.1645   2.1714  9.6599  4.6834 13.400  5.7537 -3.740431      7.418824 
1 1 1 24 15 4  o 11.581  4.9873 0.5945   1.6404  -1.3574  2.1888  3.0960   2.4778  10.450  4.9586 16.800  6.5398 -6.349119      8.207132 
1 1 1 24 15 5  o 30.370  3.8251 8.2581   1.7808  6.9172   2.6412  9.3755   2.4112  24.621  6.6752 30.929  5.1543 -6.307377      8.433617 
1 1 1 24 15 6  o 8.5714  4.1007 -1.4881  1.5614  -1.3447  2.2618  -1.6187  2.1582  10.621  5.0399 10.134  4.8408 0.4871960      6.988105 
1 1 1 24 15 7  o 22.170  4.8394 4.7823   1.6348  3.9073   2.2791  5.7094   2.3461  18.506  6.4255 22.590  6.3568 -4.083803      9.038623 
1 1 1 24 15 8  o 17.797  5.4448 3.2915   1.6607  4.9571   2.4234  1.8166   2.2804  20.607  6.6166 14.482  6.0401 6.124243       8.958903 
1 1 1 24 15 9  o 7.8413  3.8228 -2.1319  1.5245  -2.0034  2.1342  -2.2658  2.1785  9.7311  4.6912 9.6376  4.6688 0.9357834E-01  6.618503 
1 1 1 24 15 10 o 15.766  5.4250 2.5470   1.6228  2.8163   2.3248  2.2910   2.2663  16.187  6.3254 15.230  6.1481 0.9575052      8.821024 
1 1 1 24 15 11 o 12.879  5.1396 1.3686   1.5642  1.7881   2.2129  0.9498   2.2112  14.315  5.9584 13.039  5.7005 1.276051       8.246160 
1 1 1 24 15 12 o 13.990  5.2830 1.8576   1.5836  1.3218   2.2286  2.4041   2.2507  13.574  5.8286 15.364  6.1534 -1.790072      8.475708 
1 1 1 24 15 13 o 8.4729  4.0647 -1.5293  1.5576  -1.5268  2.2463  -1.5316  2.1617  10.343  4.9401 10.141  4.8444 0.2018394      6.918982 
1 1 1 24 15 14 o 26.583  4.1418 6.5439   1.6698  7.1053   2.4214  6.0349   2.3057  25.423  6.1440 23.219  6.2126 2.204369       8.737532 
1 1 1 24 15 15 o 13.069  5.1522 1.4994   1.5542  1.7106   2.2166  1.2951   2.1799  14.062  5.9158 13.382  5.7560 0.6794224      8.253980 
1 1 1 24 15 16 o 27.594  3.9859 6.9982   1.6742  5.9590   2.3086  8.1511   2.4316  22.888  6.2556 27.698  5.7867 -4.809269      8.521632 
1 1 1 24 15 17 o 8.6761  4.1283 -1.2184  1.5379  -2.7995  2.1716  0.3725   2.1783  9.1243  4.4726 12.050  5.4372 -2.925702      7.040356 
1 1 1 24 15 18 o 22.039  4.7382 4.8021   1.5883  4.5020   2.0606  5.2415   2.4931  19.811  6.0657 20.511  6.7208 -0.6995678     9.053274 
1 1 1 24 15 19 o 8.4308  4.0910 -1.9340  1.6908  0.1212   2.1348  -5.3936  2.7696  11.592  5.2902 9.0555  4.5393 2.536629       6.970799 
1 1 1 24 15 20 o 27.740  4.2804 7.3157   1.8015  7.1613   2.2009  7.6291   3.1359  25.885  5.5875 23.403  7.5279 2.482040       9.374966 
1 1 1 24 15 21 o 10.897  4.9141 0.1800   1.7765  -0.4194  2.2822  1.1017   2.8298  11.184  5.2304 13.475  6.1266 -2.291031      8.055643 
1 1 1 24 15 22 o 27.892  4.6164 7.6705   1.9479  7.9200   2.4642  7.2549   3.1806  26.355  6.0870 22.152  7.5963 4.202890       9.734262 
1 1 1 24 15 23 o 9.5594  4.5538 -1.1297  1.8825  -1.0529  2.2643  -1.3015  3.3874  10.463  4.9868 12.021  5.8231 -1.558490      7.666595 
1 1 1 24 15 24 o 23.984  5.3388 6.2018   1.9557  4.9401   2.3363  9.1561   3.5750  19.458  6.5113 23.788  8.0542 -4.329971      10.35697 
1 1 1 24 16 0  o 13.722  7.5687 2.7236   2.3675  2.7236   2.3675  2.7236   2.3675  13.722  7.5687 13.722  7.5687 0.000000       0.000000 
1 1 1 24 16 1  o 13.703  5.4965 1.8280   1.7989  1.2319   2.3597  2.6550   2.7795  13.203  5.8267 15.338  6.5457 -2.135285      8.763309 
1 1 1 24 16 2  o 18.650  5.5083 3.8254   1.7219  6.1461   2.3294  1.0299   2.5566  22.818  6.3032 13.153  5.9169 9.664514       8.645215 
1 1 1 24 16 3  o 21.365  5.0572 4.7211   1.6675  3.1165   2.3773  6.2753   2.3396  16.106  6.3648 23.083  6.2928 -6.976707      8.950436 
1 1 1 24 16 4  o 9.1192  4.3005 -0.9040  1.5997  -1.1592  2.3124  -0.6698  2.2152  10.568  5.0377 10.816  5.0886 -0.2485247     7.160458 
1 1 1 24 16 5  o 11.514  5.0011 0.7190   1.6783  0.6833   2.2898  0.7604   2.4670  12.395  5.5855 12.711  5.7561 -0.3153543     8.020667 
1 1 1 24 16 6  o 14.376  5.4782 2.1773   1.7126  2.0793   2.5719  2.2553   2.2955  14.425  6.2282 14.592  6.0707 -0.1662216     8.697398 
1 1 1 24 16 7  o 13.266  5.3573 1.6645   1.7215  0.6811   2.1960  3.2322   2.7728  12.230  5.4941 16.039  6.6725 -3.809956      8.643325 
1 1 1 24 16 8  o 16.559  5.6110 3.1021   1.7351  5.5656   2.3349  0.0641   2.5929  21.221  6.4485 12.091  5.6281 9.130087       8.559080 
1 1 1 24 16 9  o 14.686  5.7443 2.3680   1.9186  4.3998   2.5270  -0.3975  2.9482  18.165  6.7105 12.144  5.7601 6.021185       8.843631 
1 1 1 24 16 10 o 18.018  6.1683 3.9895   2.0970  4.2995   2.5795  3.3852   3.6013  17.836  6.7407 15.912  7.0998 1.923967       9.789967 
1 1 1 24 16 11 o 14.029  5.9040 2.0234   2.2090  2.0846   2.7741  1.9172   3.6519  14.328  6.3207 14.516  6.7304 -0.1873283     9.233088 
1 1 1 24 16 12 o 9.2716  4.5152 -2.0943  2.1101  -2.7200  2.6670  -1.0472  3.4501  10.019  4.9201 12.192  5.8988 -2.173382      7.681384 
1 1 1 24 16 13 o 21.162  6.5588 5.7809   2.4009  2.8737   2.9553  11.425   4.1176  15.192  6.6174 25.461  8.6437 -10.26839      10.88596 
1 1 1 24 16 14 o 13.951  5.8560 2.0790   2.1642  1.3981   2.7775  3.1312   3.4529  13.380  6.0784 15.355  6.8943 -1.974420      9.191186 
1 1 1 24 16 15 o 8.0684  4.0324 -3.9558  2.1112  -2.4388  2.6637  -6.5191  3.4625  10.085  4.9457 9.6109  4.8509 0.4745655      6.927587 
1 1 1 25 0  0  o 38.736  4.5032 12.268   2.6381  12.268   2.6381  12.268   2.6381  38.736  4.5032 38.736  4.5032 0.000000       0.000000 
1 1 1 25 0  1  o 49.382  2.5971 19.315   1.9978  19.315   1.9978  19.315   1.9978  49.382  2.5971 49.382  2.5971 0.000000       0.000000 
1 1 1 25 0  2  o 120.939 2.0113 114.895  3.8109  114.895  3.8109  114.895  3.8109  120.939 2.0113 120.939 2.0113 0.000000       0.000000 
1 1 1 25 0  3  f 6.9772  4.7601 -0.9643  1.6161  -0.9643  1.6161  -0.9643  1.6161  6.9772  4.7601 6.9772  4.7601 0.000000       0.000000 
1 1 1 25 0  4  o 60.314  2.6573 28.747   2.5014  28.747   2.5014  28.747   2.5014  60.314  2.6573 60.314  2.6573 0.000000       0.000000 
1 1 1 25 0  5  o 37.130  3.2531 11.091   1.8601  11.091   1.8601  11.091   1.8601  37.130  3.2531 37.130  3.2531 0.000000       0.000000 
1 1 1 25 0  6  f 44.352  2.7856 15.641   1.9193  15.641   1.9193  15.641   1.9193  44.352  2.7856 44.352  2.7856 0.000000       0.000000 
1 1 1 25 0  7  o 5.6767  4.0706 -2.7722  1.7081  -2.7722  1.7081  -2.7722  1.7081  5.6767  4.0706 5.6767  4.0706 0.000000       0.000000 
1 1 1 25 0  8  o 22.126  5.5497 4.5209   1.6651  4.5209   1.6651  4.5209   1.6651  22.126  5.5497 22.126  5.5497 0.000000       0.000000 
1 1 1 25 0  9  o 62.364  2.3326 30.673   2.2733  30.673   2.2733  30.673   2.2733  62.364  2.3326 62.364  2.3326 0.000000       0.000000 
1 1 1 25 0  10 o 7.8256  5.1557 -0.3079  1.6170  -0.3079  1.6170  -0.3079  1.6170  7.8256  5.1557 7.8256  5.1557 0.000000       0.000000 
1 1 1 25 0  11 o 155.559 2.1055 190.095  5.1326  190.095  5.1326  190.095  5.1326  155.559 2.1055 155.559 2.1055 0.000000       0.000000 
1 1 1 25 0  12 o 21.978  5.5487 4.4709   1.6533  4.4709   1.6533  4.4709   1.6533  21.978  5.5487 21.978  5.5487 0.000000       0.000000 
1 1 1 25 0  13 o 61.909  2.3135 30.230   2.2382  30.230   2.2382  30.230   2.2382  61.909  2.3135 61.909  2.3135 0.000000       0.000000 
1 1 1 25 0  14 f 143.655 2.0715 162.135  4.6628  162.135  4.6628  162.135  4.6628  143.655 2.0715 143.655 2.0715 0.000000       0.000000 
1 1 1 25 0  15 o 14.765  6.5627 2.4972   1.6069  2.4972   1.6069  2.4972   1.6069  14.765  6.5627 14.765  6.5627 0.000000       0.000000 
1 1 1 25 0  16 o 87.816  2.0499 60.651   2.8185  60.651   2.8185  60.651   2.8185  87.816  2.0499 87.816  2.0499 0.000000       0.000000 
1 1 1 25 0  17 o 32.416  3.4892 8.5595   1.7212  8.5595   1.7212  8.5595   1.7212  32.416  3.4892 32.416  3.4892 0.000000       0.000000 
1 1 1 25 0  18 o 9.9676  6.1059 0.6768   1.8272  0.6768   1.8272  0.6768   1.8272  9.9676  6.1059 9.9676  6.1059 0.000000       0.000000 
1 1 1 25 0  19 o 90.957  2.0607 65.072   2.9350  65.072   2.9350  65.072   2.9350  90.957  2.0607 90.957  2.0607 0.000000       0.000000 
1 1 1 25 0  20 f 42.620  2.8007 14.473   1.8527  14.473   1.8527  14.473   1.8527  42.620  2.8007 42.620  2.8007 0.000000       0.000000 
1 1 1 25 0  21 o 5.8802  4.2009 -2.6301  1.7521  -2.6301  1.7521  -2.6301  1.7521  5.8802  4.2009 5.8802  4.2009 0.000000       0.000000 
1 1 1 25 0  22 o 39.178  3.1435 12.319   1.9021  12.319   1.9021  12.319   1.9021  39.178  3.1435 39.178  3.1435 0.000000       0.000000 
1 1 1 25 0  23 o 75.910  2.1922 45.390   2.6039  45.390   2.6039  45.390   2.6039  75.910  2.1922 75.910  2.1922 0.000000       0.000000 
1 1 1 25 0  24 o 16.694  6.6788 3.0726   1.6955  3.0726   1.6955  3.0726   1.6955  16.694  6.6788 16.694  6.6788 0.000000       0.000000 
1 1 1 25 0  25 o 8.5050  5.5468 -0.1499  1.8024  -0.1499  1.8024  -0.1499  1.8024  8.5050  5.5468 8.5050  5.5468 0.000000       0.000000 
1 1 1 25 0  26 o 87.779  2.3135 60.702   3.1786  60.702   3.1786  60.702   3.1786  87.779  2.3135 87.779  2.3135 0.000000       0.000000 
1 1 1 25 0  27 o 100.840 2.4572 80.126   3.8793  80.126   3.8793  80.126   3.8793  100.840 2.4572 100.840 2.4572 0.000000       0.000000 
1 1 1 25 0  28 o 21.232  6.2429 4.3982   1.8056  4.3982   1.8056  4.3982   1.8056  21.232  6.2429 21.232  6.2429 0.000000       0.000000 
1 1 1 25 0  29 o 9.9985  5.9668 0.8715   1.6518  0.8715   1.6518  0.8715   1.6518  9.9985  5.9668 9.9985  5.9668 0.000000       0.000000 
1 1 1 25 0  30 o 59.633  2.5421 28.139   2.3667  28.139   2.3667  28.139   2.3667  59.633  2.5421 59.633  2.5421 0.000000       0.000000 
1 1 1 25 0  31 o 58.079  2.3840 26.672   2.1623  26.672   2.1623  26.672   2.1623  58.079  2.3840 58.079  2.3840 0.000000       0.000000 
1 1 1 25 0  32 o 38.445  3.2391 11.911   1.9203  11.911   1.9203  11.911   1.9203  38.445  3.2391 38.445  3.2391 0.000000       0.000000 
1 1 1 25 0  33 o 13.592  6.4437 2.1787   1.5600  2.1787   1.5600  2.1787   1.5600  13.592  6.4437 13.592  6.4437 0.000000       0.000000 
1 1 1 25 0  34 o 10.578  5.9934 1.1991   1.5343  1.1991   1.5343  1.1991   1.5343  10.578  5.9934 10.578  5.9934 0.000000       0.000000 
1 1 1 25 0  35 o 7.4233  4.9102 -0.3171  1.4907  -0.3171  1.4907  -0.3171  1.4907  7.4233  4.9102 7.4233  4.9102 0.000000       0.000000 
1 1 1 25 0  36 o 7.6587  5.0646 -0.3256  1.5842  -0.3256  1.5842  -0.3256  1.5842  7.6587  5.0646 7.6587  5.0646 0.000000       0.000000 
1 1 1 25 0  37 o 19.408  6.5406 3.8972   1.7789  3.8972   1.7789  3.8972   1.7789  19.408  6.5406 19.408  6.5406 0.000000       0.000000 
1 1 1 25 0  38 o 32.946  3.7982 8.9485   1.8940  8.9485   1.8940  8.9485   1.8940  32.946  3.7982 32.946  3.7982 0.000000       0.000000 
1 1 1 25 0  39 o 33.495  4.4120 9.3947   2.2050  9.3947   2.2050  9.3947   2.2050  33.495  4.4120 33.495  4.4120 0.000000       0.000000 
1 1 1 25 0  40 o 22.447  7.0072 5.1060   2.1623  5.1060   2.1623  5.1060   2.1623  22.447  7.0072 22.447  7.0072 0.000000       0.000000 
1 1 1 25 0  41 o 43.593  3.5991 15.407   2.4210  15.407   2.4210  15.407   2.4210  43.593  3.5991 43.593  3.5991 0.000000       0.000000 
1 1 1 25 0  42 o 8.8197  5.6123 0.2614   1.7032  0.2614   1.7032  0.2614   1.7032  8.8197  5.6123 8.8197  5.6123 0.000000       0.000000 
1 1 1 25 0  43 o 14.321  7.0795 2.5130   1.9093  2.5130   1.9093  2.5130   1.9093  14.321  7.0795 14.321  7.0795 0.000000       0.000000 
1 1 1 25 0  44 o 10.579  6.3669 1.0171   1.9131  1.0171   1.9131  1.0171   1.9131  10.579  6.3669 10.579  6.3669 0.000000       0.000000 
1 1 1 25 0  45 o 12.743  6.5628 1.9907   1.6764  1.9907   1.6764  1.9907   1.6764  12.743  6.5628 12.743  6.5628 0.000000       0.000000 
1 1 1 25 0  46 o 12.213  6.5099 1.8188   1.6928  1.8188   1.6928  1.8188   1.6928  12.213  6.5099 12.213  6.5099 0.000000       0.000000 
1 1 1 25 0  47 o 32.278  3.7569 8.6772   1.8338  8.6772   1.8338  8.6772   1.8338  32.278  3.7569 32.278  3.7569 0.000000       0.000000 
1 1 1 25 0  48 o 61.863  2.4610 30.473   2.3781  30.473   2.3781  30.473   2.3781  61.863  2.4610 61.863  2.4610 0.000000       0.000000 
1 1 1 25 0  49 o 7.4058  5.0014 -0.6332  1.6943  -0.6332  1.6943  -0.6332  1.6943  7.4058  5.0014 7.4058  5.0014 0.000000       0.000000 
1 1 1 25 0  50 o 6.0202  4.2355 -1.6168  1.5590  -1.6168  1.5590  -1.6168  1.5590  6.0202  4.2355 6.0202  4.2355 0.000000       0.000000 
1 1 1 25 0  51 o 45.551  2.6601 16.687   1.8848  16.687   1.8848  16.687   1.8848  45.551  2.6601 45.551  2.6601 0.000000       0.000000 
1 1 1 25 0  52 f 24.393  4.7549 5.3630   1.6203  5.3630   1.6203  5.3630   1.6203  24.393  4.7549 24.393  4.7549 0.000000       0.000000 
1 1 1 25 0  53 o 29.522  4.2123 7.5083   1.8346  7.5083   1.8346  7.5083   1.8346  29.522  4.2123 29.522  4.2123 0.000000       0.000000 
1 1 1 25 0  54 f 10.209  5.9608 1.1755   1.5862  1.1755   1.5862  1.1755   1.5862  10.209  5.9608 10.209  5.9608 0.000000       0.000000 
1 1 1 25 0  55 o 37.753  3.1430 11.698   1.8305  11.698   1.8305  11.698   1.8305  37.753  3.1430 37.753  3.1430 0.000000       0.000000 
1 1 1 25 0  56 o 6.5400  4.5846 -1.6081  1.7775  -1.6081  1.7775  -1.6081  1.7775  6.5400  4.5846 6.5400  4.5846 0.000000       0.000000 
1 1 1 25 0  57 o 9.6859  5.9842 0.8325   1.7895  0.8325   1.7895  0.8325   1.7895  9.6859  5.9842 9.6859  5.9842 0.000000       0.000000 
1 1 1 25 0  58 o 30.331  4.4851 8.0744   1.9956  8.0744   1.9956  8.0744   1.9956  30.331  4.4851 30.331  4.4851 0.000000       0.000000 
1 1 1 25 0  59 o 6.2181  4.4048 -1.9713  1.7823  -1.9713  1.7823  -1.9713  1.7823  6.2181  4.4048 6.2181  4.4048 0.000000       0.000000 
1 1 1 25 0  60 o 17.715  6.7660 3.7074   1.7715  3.7074   1.7715  3.7074   1.7715  17.715  6.7660 17.715  6.7660 0.000000       0.000000 
1 1 1 25 0  61 o 31.422  3.9942 8.5567   1.8808  8.5567   1.8808  8.5567   1.8808  31.422  3.9942 31.422  3.9942 0.000000       0.000000 
1 1 1 25 0  62 o 6.8674  4.7351 -0.9085  1.6988  -0.9085  1.6988  -0.9085  1.6988  6.8674  4.7351 6.8674  4.7351 0.000000       0.000000 
1 1 1 25 1  0  o 59.212  2.3540 27.670   2.1772  27.670   2.1772  27.670   2.1772  59.212  2.3540 59.212  2.3540 0.000000       0.000000 
1 1 1 25 1  1  o 51.175  1.7951 20.590   1.4401  19.277   2.0342  21.910   2.0391  49.361  2.6384 52.719  2.4673 -3.357574      3.612303 
1 1 1 25 1  2  o 14.662  4.4959 1.7217   1.1316  2.5793   1.5794  0.8171   1.6220  17.771  5.2820 13.295  5.2564 4.476272       7.451760 
1 1 1 25 1  3  o 85.855  1.5303 57.905   2.0596  57.267   2.7478  58.724   3.1115  85.305  2.0547 86.340  2.2988 -1.035423      3.083249 
1 1 1 25 1  4  o 42.702  2.0583 14.350   1.3779  13.802   1.9347  14.915   1.9628  41.683  2.9804 43.352  2.9049 -1.669868      4.161867 
1 1 1 25 1  5  o 60.391  1.6491 28.661   1.5613  28.344   2.1867  28.990   2.2299  59.979  2.3256 60.656  2.3450 -0.6772461     3.302673 
1 1 1 25 1  6  o 40.704  2.1571 13.081   1.3716  13.882   2.0001  12.370   1.8845  41.783  3.0750 39.430  3.0729 2.353043       4.347239 
1 1 1 25 1  7  o 32.968  2.4620 8.6164   1.2632  8.2473   1.7953  8.9783   1.7778  32.033  3.6397 33.483  3.4357 -1.449562      5.005106 
1 1 1 25 1  8  o 111.697 1.4214 97.987   2.4889  95.332   3.4744  100.785  3.5671  110.063 2.0136 113.168 2.0107 -3.105133      2.845610 
1 1 1 25 1  9  o 58.730  1.6936 27.113   1.5592  28.877   2.2290  25.423   2.1819  60.530  2.3490 56.781  2.4512 3.749439       3.395043 
1 1 1 25 1  10 o 92.298  1.4370 66.913   2.0792  64.711   2.8715  69.341   3.0146  90.674  2.0201 93.856  2.0488 -3.182167      2.877251 
1 1 1 25 1  11 o 7.5474  3.5742 -1.3249  1.1264  -2.4944  1.6138  -0.2139  1.5730  8.4176  4.0634 11.127  4.8373 -2.709002      6.317422 
1 1 1 25 1  12 o 69.701  1.5376 38.174   1.6801  40.699   2.4198  35.824   2.3347  71.885  2.1473 67.433  2.2085 4.451469       3.080280 
1 1 1 25 1  13 o 70.118  1.5400 38.635   1.6928  38.892   2.3932  38.377   2.3948  70.264  2.1727 69.795  2.1887 0.4697342      3.084016 
1 1 1 25 1  14 o 56.235  1.6766 24.863   1.4780  24.707   2.0429  25.034   2.1411  55.979  2.3279 56.336  2.4243 -0.3563194     3.361051 
1 1 1 25 1  15 o 43.342  1.9443 14.786   1.3210  14.724   1.8427  14.851   1.8949  43.078  2.7429 43.252  2.8099 -0.1739159     3.926682 
1 1 1 25 1  16 o 85.116  1.4723 56.925   1.9645  53.587   2.7358  60.479   2.8228  82.476  2.1160 87.632  2.0547 -5.156143      2.949440 
1 1 1 25 1  17 o 23.568  3.4410 4.5014   1.2338  1.0335   1.7665  7.8052   1.7241  14.118  5.5146 31.128  3.5996 -17.01013      6.585421 
1 1 1 25 1  18 o 19.323  4.4870 3.1112   1.3331  3.7506   1.7511  2.2296   2.0560  21.127  5.2969 17.373  6.0989 3.753559       8.078023 
1 1 1 25 1  19 o 41.516  2.2373 13.629   1.4507  15.257   2.0304  11.931   2.0736  43.790  2.9753 38.591  3.4644 5.199123       4.566651 
1 1 1 25 1  20 f 76.225  1.6565 45.695   1.9795  45.320   2.7859  46.078   2.8131  75.784  2.3449 76.415  2.3483 -0.6303635     3.318629 
1 1 1 25 1  21 o 24.643  3.5832 4.9318   1.3437  7.1247   1.8617  2.5472   1.9413  29.569  4.1288 17.954  5.9329 11.61503       7.228179 
1 1 1 25 1  22 o 59.256  2.0260 27.667   1.8820  25.528   2.6035  30.008   2.7237  56.683  2.9400 61.561  2.8223 -4.878647      4.075429 
1 1 1 25 1  23 o 43.216  2.1347 14.726   1.4462  16.330   2.0964  13.269   1.9976  45.290  2.9692 40.764  3.1504 4.526085       4.329099 
1 1 1 25 1  24 o 10.522  4.3956 0.2038   1.2106  0.9646   1.6801  -0.6177  1.7458  13.701  5.3709 11.080  4.9435 2.621758       7.299633 
1 1 1 25 1  25 o 48.135  2.0232 18.263   1.5267  21.349   2.1856  15.321   2.1335  51.864  2.6975 43.813  3.1268 8.050690       4.129551 
1 1 1 25 1  26 f 61.751  1.6815 30.008   1.6277  30.463   2.3060  29.556   2.2980  62.097  2.3689 61.160  2.3967 0.9363441      3.369845 
1 1 1 25 1  27 o 47.930  1.8751 18.098   1.4089  18.138   2.0162  18.059   1.9697  47.780  2.7029 47.689  2.6450 0.9099197E-01  3.781760 
1 1 1 25 1  28 o 34.724  2.3421 9.5699   1.2675  8.8080   1.7895  10.337   1.7954  33.046  3.5080 35.901  3.2245 -2.854877      4.764785 
1 1 1 25 1  29 o 31.788  2.5035 8.0443   1.2375  8.5286   1.7151  7.5184   1.7872  32.529  3.4143 30.408  3.8344 2.121025       5.134197 
1 1 1 25 1  30 o 41.758  2.0771 13.761   1.3597  12.909   1.9163  14.625   1.9297  40.173  3.0660 42.820  2.8916 -2.647240      4.214450 
1 1 1 25 1  31 o 23.110  3.3449 4.3458   1.1766  5.0400   1.7064  3.7166   1.6245  24.574  4.5986 20.949  5.0135 3.624813       6.803103 
1 1 1 25 1  32 o 15.661  4.6471 2.0269   1.2232  1.4959   1.6979  2.5998   1.7638  14.878  5.4997 17.786  5.6379 -2.907952      7.876058 
1 1 1 25 1  33 o 55.956  1.7759 24.679   1.5578  22.981   2.1063  26.729   2.3145  53.852  2.4950 58.065  2.5427 -4.213291      3.562330 
1 1 1 25 1  34 f 56.747  1.7905 25.390   1.5928  24.064   2.1155  27.125   2.4202  55.105  2.4489 58.452  2.6412 -3.347279      3.601804 
1 1 1 25 1  35 o 24.501  3.2525 4.8796   1.2184  5.0065   1.6668  4.7339   1.7855  24.451  4.5148 23.617  4.9795 0.8339691      6.721490 
1 1 1 25 1  36 o 46.526  2.0687 17.114   1.5089  20.698   2.1979  13.920   2.0751  50.924  2.7635 41.595  3.2070 9.328651       4.233454 
1 1 1 25 1  37 o 34.756  2.4824 9.6391   1.3437  11.402   1.9479  8.0388   1.8559  37.559  3.3433 31.320  3.8617 6.239201       5.107833 
1 1 1 25 1  38 o 27.301  3.1337 6.0431   1.3169  4.4854   1.9340  7.3897   1.7982  22.745  5.4873 29.966  3.9219 -7.221169      6.744777 
1 1 1 25 1  39 o 79.082  1.6174 49.323   2.0051  45.913   2.9001  52.447   2.7754  76.005  2.4340 81.346  2.1764 -5.341125      3.265101 
1 1 1 25 1  40 o 25.654  3.1493 5.3587   1.2400  4.4392   1.8454  6.1156   1.6742  22.607  5.2991 27.118  4.0633 -4.510998      6.677684 
1 1 1 25 1  41 o 52.934  1.9238 22.178   1.5965  21.278   2.3160  22.993   2.2036  51.465  2.8822 53.677  2.6188 -2.212254      3.894247 
1 1 1 25 1  42 o 12.393  4.6121 1.0361   1.1980  3.6837   1.9815  -0.4894  1.5041  20.407  5.8757 10.211  4.5699 10.19562       7.443614 
1 1 1 25 1  43 o 43.390  2.2703 15.022   1.5389  12.271   2.4035  16.933   2.0033  38.461  4.0471 45.869  2.7994 -7.407986      4.920951 
1 1 1 25 1  44 f 34.401  2.5680 9.5187   1.3749  9.1101   2.0180  9.8727   1.8784  33.077  3.9710 34.668  3.5045 -1.590515      5.296240 
1 1 1 25 1  45 o 22.149  4.2581 4.1940   1.4248  2.7247   1.9614  5.8357   2.0732  17.775  5.9660 25.710  5.3193 -7.935358      7.993039 
1 1 1 25 1  46 o 9.2924  4.1878 -0.4965  1.2877  -0.0960  1.7109  -1.0198  1.9556  11.427  5.0047 10.932  5.0168 0.4952087      7.086287 
1 1 1 25 1  47 o 49.486  2.1246 19.527   1.6482  20.530   2.2292  18.317   2.4480  50.336  2.8366 47.248  3.3263 3.088108       4.371541 
1 1 1 25 1  48 o 22.732  3.8342 4.3872   1.3177  3.7697   1.8007  5.0991   1.9334  20.341  5.5105 23.795  5.3170 -3.454563      7.657399 
1 1 1 25 1  49 o 23.101  3.4885 4.4819   1.2240  4.2692   1.8279  4.6548   1.6480  21.632  5.4053 22.955  4.7367 -1.322960      7.187040 
1 1 1 25 1  50 o 32.475  2.4479 8.5327   1.2370  10.147   1.7686  6.9867   1.7309  35.024  3.2585 28.652  3.9592 6.372026       5.127730 
1 1 1 25 1  51 o 12.148  4.4261 1.1111   1.0937  2.4260   1.4810  -0.4659  1.6220  16.464  5.1593 10.437  4.7023 6.026560       6.980653 
1 1 1 25 1  52 o 25.503  3.1051 5.4032   1.2158  5.0600   1.7043  5.7587   1.7349  23.831  4.7291 25.608  4.4850 -1.777460      6.517617 
1 1 1 25 1  53 o 17.425  4.4773 2.7128   1.2296  1.1458   1.7616  4.2014   1.7170  13.542  5.4368 21.384  5.1773 -7.842354      7.507493 
1 1 1 25 1  54 f 13.582  4.6512 1.5512   1.1924  0.6878   1.6871  2.4128   1.6854  12.461  5.1961 16.366  5.5301 -3.904466      7.588236 
1 1 1 25 1  55 o 29.233  2.8122 7.0359   1.2729  6.7077   1.8030  7.3620   1.7972  27.696  4.2916 29.205  4.0329 -1.509386      5.889126 
1 1 1 25 1  56 o 38.103  2.2863 11.748   1.3593  10.389   1.9077  13.150   1.9375  35.084  3.5158 39.788  3.1316 -4.703648      4.708202 
1 1 1 25 1  57 o 12.054  4.5864 1.0504   1.1993  1.9775   1.7076  0.1481   1.6846  15.134  5.5280 11.414  4.9832 3.720018       7.442530 
1 1 1 25 1  58 o 36.429  2.3753 10.804   1.3491  12.677   1.9436  9.0616   1.8741  38.889  3.2169 32.465  3.7515 6.424164       4.941886 
1 1 1 25 1  59 o 13.925  5.0880 1.6535   1.4467  2.3080   2.0422  0.9941   2.0498  15.938  6.0038 13.483  5.6815 2.454430       8.265876 
1 1 1 25 1  60 o 28.016  3.4698 6.7476   1.4914  5.2298   2.1341  8.1965   2.0850  22.743  5.9259 30.001  4.5783 -7.258034      7.488423 
1 1 1 25 1  61 o 10.237  4.5128 0.0470   1.4119  -0.7947  2.1087  0.7309   1.9008  11.009  5.1080 12.556  5.3871 -1.547461      7.423741 
1 1 1 25 2  0  o 27.905  4.1565 6.5379   1.6996  6.5379   1.6996  6.5379   1.6996  27.905  4.1565 27.905  4.1565 0.000000       0.000000 
1 1 1 25 2  1  o 31.519  2.5545 7.8927   1.2513  5.5725   1.7306  10.435   1.8115  26.055  4.3931 36.142  3.2314 -10.08701      5.453513 
1 1 1 25 2  2  f 63.973  1.6039 32.169   1.6085  33.314   2.2786  31.033   2.2710  65.015  2.2356 62.738  2.3091 2.276688       3.213961 
1 1 1 25 2  3  o 21.002  3.9912 3.6293   1.2661  2.6630   1.8898  4.4162   1.7054  18.236  5.8415 23.025  4.8764 -4.788897      7.609380 
1 1 1 25 2  4  o 117.239 1.4240 107.979  2.6173  102.929  3.6012  113.633  3.8104  114.339 2.0091 120.132 2.0233 -5.793945      2.851360 
1 1 1 25 2  5  o 20.094  3.8844 3.3226   1.1793  5.4509   1.6699  1.2049   1.6658  25.787  4.2810 14.248  5.4091 11.53909       6.898264 
1 1 1 25 2  6  o 73.684  1.5732 42.675   1.8173  42.170   2.4842  43.256   2.6654  73.157  2.1661 74.069  2.2955 -0.9122467     3.156128 
1 1 1 25 2  7  o 15.763  4.4353 2.0462   1.1422  -0.0116  1.5884  4.2493   1.6436  11.521  4.9332 22.588  4.7900 -11.06706      6.876081 
1 1 1 25 2  8  o 56.170  1.7109 24.813   1.5065  24.313   2.1311  25.313   2.1300  55.505  2.4491 56.642  2.3987 -1.137596      3.428158 
1 1 1 25 2  9  o 12.328  4.5458 0.9771   1.1586  0.9119   1.6695  1.0376   1.6092  13.595  5.3461 13.711  5.2890 -0.1160517     7.520275 
1 1 1 25 2  10 o 56.715  1.6907 25.297   1.5032  24.453   2.0855  26.210   2.1686  55.669  2.3897 57.633  2.4003 -1.963924      3.386993 
1 1 1 25 2  11 o 36.229  2.2731 10.391   1.2845  9.6931   1.8103  11.099   1.8229  34.779  3.3622 37.283  3.1483 -2.504215      4.606054 
1 1 1 25 2  12 o 10.582  4.3800 0.2664   1.1862  -0.0160  1.6085  0.6029   1.7561  11.574  4.9603 13.201  5.3817 -1.627533      7.319002 
1 1 1 25 2  13 o 56.149  1.9233 24.823   1.6929  22.890   2.3659  26.851   2.4235  53.709  2.8198 58.281  2.6525 -4.571602      3.871357 
1 1 1 25 2  14 o 44.150  2.1827 15.368   1.5107  12.833   2.0265  18.540   2.2665  40.074  3.2539 48.274  3.0099 -8.200050      4.432515 
1 1 1 25 2  15 o 66.364  1.7585 34.655   1.8295  34.166   2.5320  35.190   2.6463  65.773  2.4556 66.737  2.5294 -0.9639664     3.525296 
1 1 1 25 2  16 o 48.976  2.1820 18.915   1.6753  19.585   2.3297  18.197   2.4109  49.613  3.0096 47.759  3.2392 1.854210       4.421554 
1 1 1 25 2  17 o 60.218  1.9318 28.561   1.8237  29.681   2.5000  27.287   2.6661  61.267  2.6029 58.683  2.8981 2.583965       3.895406 
1 1 1 25 2  18 o 10.546  4.4222 0.1758   1.2322  -0.9838  1.7345  1.3573   1.7508  10.533  4.7919 14.753  5.5586 -4.220520      7.338959 
1 1 1 25 2  19 o 11.300  4.4851 0.5739   1.1852  -0.4678  1.6052  1.8223   1.7574  10.792  4.7820 15.863  5.6316 -5.070814      7.387998 
1 1 1 25 2  20 o 53.083  2.0285 22.212   1.6881  21.103   2.4836  23.164   2.3014  51.462  3.0929 54.020  2.7264 -2.558689      4.123023 
1 1 1 25 2  21 o 45.411  1.9501 16.250   1.3883  15.900   1.9586  16.603   1.9681  44.707  2.8089 45.701  2.7600 -0.9938889     3.937949 
1 1 1 25 2  22 o 64.108  1.7042 32.347   1.7128  30.857   2.2839  34.263   2.5892  62.501  2.3309 65.821  2.5093 -3.319397      3.424868 
1 1 1 25 2  23 o 28.623  2.8582 6.5605   1.2654  6.8017   1.7142  6.2718   1.8756  28.901  3.8817 27.559  4.4966 1.342314       5.940276 
1 1 1 25 2  24 o 32.833  2.5934 8.5859   1.3240  8.6329   1.7926  8.5296   1.9640  32.698  3.5543 32.390  3.9496 0.3080406      5.313423 
1 1 1 25 2  25 o 56.173  1.7947 24.855   1.5804  25.271   2.1508  24.368   2.3299  56.526  2.4272 55.452  2.6802 1.073387       3.615916 
1 1 1 25 2  26 o 54.477  1.9409 23.400   1.6576  23.111   2.3488  23.687   2.3396  53.901  2.7892 54.653  2.7307 -0.7517471     3.903380 
1 1 1 25 2  27 o 27.589  3.1211 6.1335   1.3261  7.3575   1.8588  4.8647   1.8925  29.990  4.0579 23.972  5.1867 6.018621       6.585448 
1 1 1 25 2  28 o 30.368  2.9358 7.3980   1.3802  8.3144   1.9625  6.5011   1.9415  31.912  4.0115 27.985  4.5841 3.927130       6.091431 
1 1 1 25 2  29 o 10.485  4.4020 0.1832   1.2232  0.9157   1.6608  -0.6854  1.8085  13.470  5.3210 11.147  4.9984 2.322595       7.300467 
1 1 1 25 2  30 o 40.078  2.2633 12.746   1.4162  16.767   2.1376  9.5997   1.8907  45.790  2.9944 34.438  3.5532 11.35197       4.646700 
1 1 1 25 2  31 o 58.303  1.7427 26.795   1.5928  26.669   2.4534  26.887   2.0941  57.937  2.7012 58.283  2.2919 -0.3462982     3.542528 
1 1 1 25 2  32 o 43.505  2.2759 15.024   1.5468  14.530   2.3501  15.401   2.0545  42.395  3.5692 43.846  3.0072 -1.451202      4.667189 
1 1 1 25 2  33 o 53.586  1.7992 22.655   1.5114  20.701   2.2904  24.163   2.0116  50.886  2.8830 55.220  2.3237 -4.334457      3.702914 
1 1 1 25 2  34 o 10.839  4.3934 0.4539   1.1623  -0.2107  1.7459  0.9829   1.5576  11.581  5.0641 13.275  5.1803 -1.694579      7.244370 
1 1 1 25 2  35 o 26.479  3.1467 5.6900   1.2806  3.8326   2.0941  6.7996   1.6186  20.976  6.0406 28.816  3.6661 -7.840160      7.065997 
1 1 1 25 2  36 o 29.387  2.6165 6.9290   1.1928  6.2671   1.6936  7.5806   1.6802  27.495  4.0504 30.453  3.5884 -2.957918      5.411345 
1 1 1 25 2  37 o 46.500  1.9169 17.102   1.3974  18.881   2.0320  15.505   1.9247  48.584  2.6783 43.968  2.8071 4.615711       3.879819 
1 1 1 25 2  38 o 56.590  1.7855 25.309   1.5840  23.911   2.4196  26.357   2.0954  54.596  2.8368 57.587  2.3210 -2.991188      3.665314 
1 1 1 25 2  39 o 35.974  2.2255 10.319   1.2489  9.5781   1.7857  11.028   1.7474  34.280  3.3663 36.928  3.0455 -2.647873      4.539527 
1 1 1 25 2  40 o 50.957  1.8869 20.563   1.5073  23.816   2.3569  18.312   1.9607  54.455  2.7700 47.791  2.6271 6.663975       3.817677 
1 1 1 25 2  41 o 30.654  2.5927 7.5669   1.2342  5.2243   1.7452  9.9111   1.7458  24.663  4.6852 34.872  3.2302 -10.20908      5.690780 
1 1 1 25 2  42 o 20.415  3.8778 3.5239   1.1956  2.2655   1.7095  4.7287   1.6728  16.459  5.5696 23.376  4.7272 -6.917570      7.305267 
1 1 1 25 2  43 o 31.186  2.6771 7.8646   1.2961  8.5250   1.8893  7.2773   1.7815  31.980  3.8456 29.466  3.9566 2.513868       5.517541 
1 1 1 25 2  44 o 29.010  2.7335 6.8319   1.2285  6.3540   1.7538  7.2922   1.7213  27.332  4.2297 29.522  3.8079 -2.190260      5.691297 
1 1 1 25 2  45 o 23.548  3.2508 4.5988   1.1681  4.3971   1.6152  4.8199   1.6912  22.369  4.7526 23.439  4.7649 -1.070444      6.729882 
1 1 1 25 2  46 o 26.469  3.0720 5.7722   1.2510  6.3170   1.8128  5.2768   1.7286  27.046  4.4290 24.553  4.6614 2.492897       6.430029 
1 1 1 25 2  47 o 20.645  4.1304 3.6916   1.2901  4.0545   1.7671  3.2774   1.8878  21.087  5.3400 18.871  5.8105 2.215776       7.891577 
1 1 1 25 2  48 o 36.124  2.5085 10.568   1.4118  13.639   2.0077  7.5632   1.9856  40.684  3.1729 29.535  4.4246 11.14908       5.444657 
1 1 1 25 2  49 o 36.071  2.8456 10.649   1.5961  10.565   2.0190  10.787   2.6060  35.431  3.6891 34.941  4.8917 0.4901085      6.126806 
1 1 1 25 2  50 o 8.9114  4.1175 -0.8395  1.3493  -0.6054  1.6534  -1.3064  2.3347  10.314  4.6871 11.499  5.3487 -1.185359      7.111770 
1 1 1 25 2  51 o 35.833  2.7670 10.512   1.5423  10.885   1.8529  9.6687   2.7827  36.145  3.3066 32.273  5.7090 3.871822       6.597445 
1 1 1 25 2  52 o 14.908  5.1359 1.9269   1.4547  0.1812   1.9620  4.0580   2.1679  12.284  5.3701 20.408  6.2163 -8.124640      8.214609 
1 1 1 25 2  53 o 9.4155  4.2543 -0.4438  1.3390  2.1251   1.9660  -2.6665  1.8287  15.810  5.9034 8.6972  4.2281 7.112796       7.261328 
1 1 1 25 2  54 o 19.282  4.9111 3.4216   1.4886  4.0742   2.1892  2.8603   2.0301  20.305  6.2579 17.450  6.0640 2.854750       8.714023 
1 1 1 25 2  55 o 35.231  2.8209 10.236   1.5449  11.610   2.0846  8.5622   2.3011  36.941  3.6473 30.703  4.9490 6.238228       6.147859 
1 1 1 25 2  56 o 19.729  4.6399 3.5647   1.4110  5.2873   1.8610  1.2357   2.1639  23.789  5.1402 14.176  5.8956 9.613475       7.821719 
1 1 1 25 2  57 o 29.645  3.2633 7.4349   1.4915  7.0933   1.9367  7.9329   2.3382  28.019  4.5664 28.986  5.3424 -0.9679394     7.028070 
1 1 1 25 2  58 o 34.083  2.8808 9.6871   1.5248  11.350   2.0564  7.6554   2.2726  36.259  3.6682 28.354  5.3080 7.905079       6.452125 
1 1 1 25 2  59 o 10.026  4.4078 0.0463   1.3383  -1.3088  1.8011  1.7168   1.9997  9.6465  4.5535 14.472  5.7988 -4.825817      7.372941 
1 1 1 25 3  0  o 39.538  3.1538 12.546   1.9262  12.546   1.9262  12.546   1.9262  39.538  3.1538 39.538  3.1538 0.000000       0.000000 
1 1 1 25 3  1  f 44.811  1.9753 15.817   1.3876  16.184   1.9571  15.446   1.9677  45.137  2.7793 44.073  2.8635 1.064011       3.990486 
1 1 1 25 3  2  o 72.641  1.6197 41.498   1.8445  40.732   2.4844  42.438   2.7533  71.866  2.2051 73.316  2.3955 -1.449852      3.255926 
1 1 1 25 3  3  o 61.128  1.7526 29.403   1.6795  29.887   2.5125  29.012   2.2581  61.485  2.6067 60.622  2.3761 0.8632126      3.527123 
1 1 1 25 3  4  o 29.852  2.7183 7.1071   1.2582  8.3697   1.7913  5.8777   1.7676  32.221  3.6083 26.740  4.3673 5.480539       5.665106 
1 1 1 25 3  5  o 29.256  2.7921 6.8353   1.2650  7.4335   1.8436  6.3030   1.7390  30.246  3.9852 27.777  4.1183 2.468681       5.730787 
1 1 1 25 3  6  f 44.878  2.2574 15.929   1.5831  16.362   2.0914  15.348   2.4226  45.341  2.9586 43.757  3.5626 1.584511       4.630902 
1 1 1 25 3  7  o 44.731  2.2717 15.828   1.5877  16.102   2.1205  15.477   2.3953  44.961  3.0261 43.955  3.5053 1.006157       4.630847 
1 1 1 25 3  8  o 11.179  4.6496 0.2727   1.3460  3.0663   1.8451  -2.9049  1.9679  19.206  5.7093 9.3622  4.5111 9.843496       7.276448 
1 1 1 25 3  9  o 83.464  1.8760 54.857   2.4547  52.339   3.3618  57.733   3.5925  81.343  2.6363 85.418  2.6829 -4.074509      3.761394 
1 1 1 25 3  10 o 49.390  2.5866 19.342   1.9958  18.562   2.7830  20.168   2.8637  48.086  3.7207 50.151  3.6679 -2.065323      5.224705 
1 1 1 25 3  11 o 36.524  2.7712 10.623   1.5749  13.235   2.2726  8.2097   2.1845  40.585  3.6096 31.635  4.5345 8.949646       5.795778 
1 1 1 25 3  12 o 63.674  1.9972 31.953   1.9936  31.708   2.8642  32.183   2.7767  63.244  2.8889 63.742  2.7787 -0.4984055     4.008337 
1 1 1 25 3  13 o 79.583  1.8592 49.881   2.3195  50.318   3.2729  49.440   3.2877  79.746  2.6180 79.037  2.6534 0.7088013      3.727530 
1 1 1 25 3  14 o 116.008 1.6869 105.906  3.0678  105.017  4.1336  106.997  4.5773  115.329 2.2863 116.325 2.5101 -0.9956284     3.395229 
1 1 1 25 3  15 o 38.625  2.4361 11.838   1.4675  13.192   2.1150  10.580   2.0379  40.571  3.3556 36.231  3.6371 4.339485       4.948590 
1 1 1 25 3  16 o 62.135  1.8352 30.409   1.7876  31.213   2.5296  29.606   2.5264  62.806  2.5692 61.154  2.6353 1.652454       3.680426 
1 1 1 25 3  17 o 43.005  2.2701 14.645   1.5250  12.017   2.0771  17.718   2.2461  38.672  3.4628 47.129  3.0566 -8.457218      4.618872 
1 1 1 25 3  18 o 62.009  1.8742 30.296   1.8219  30.546   2.5787  30.047   2.5744  62.104  2.6487 61.590  2.6663 0.5137367      3.758267 
1 1 1 25 3  19 o 41.943  2.1812 13.925   1.4292  14.108   2.1023  13.768   1.9489  41.980  3.2189 41.522  3.0146 0.4587288      4.410156 
1 1 1 25 3  20 o 29.933  2.7750 7.1648   1.2874  6.8055   1.8498  7.5022   1.7927  28.793  4.2238 30.367  3.8525 -1.573317      5.716803 
1 1 1 25 3  21 o 44.473  2.0663 15.607   1.4406  14.721   2.1186  16.369   1.9648  42.886  3.1737 45.342  2.7775 -2.455669      4.217469 
1 1 1 25 3  22 o 51.076  1.9975 20.580   1.5995  21.371   2.2331  19.747   2.2920  51.828  2.7584 49.761  2.9513 2.067463       4.039692 
1 1 1 25 3  23 o 55.110  1.9012 23.948   1.6426  24.862   2.3906  23.131   2.2607  55.977  2.7243 54.006  2.6702 1.970932       3.814670 
1 1 1 25 3  24 o 78.705  1.6145 48.769   1.9921  49.305   2.9128  48.299   2.7305  78.940  2.3537 78.169  2.2282 0.7714310      3.241113 
1 1 1 25 3  25 o 38.653  2.2247 11.850   1.3423  12.032   1.8760  11.660   1.9215  38.733  3.1160 38.088  3.2492 0.6442070      4.501852 
1 1 1 25 3  26 o 61.282  1.7230 29.594   1.6553  29.722   2.2721  29.450   2.4164  61.270  2.3655 60.945  2.5292 0.3253250      3.463010 
1 1 1 25 3  27 o 24.232  3.2545 4.7716   1.2050  4.0881   1.6615  5.5302   1.7503  21.940  4.9486 25.746  4.5005 -3.805796      6.689038 
1 1 1 25 3  28 o 35.976  2.3156 10.291   1.2990  11.302   1.8077  9.2110   1.8681  37.505  3.1024 33.687  3.5927 3.817196       4.746849 
1 1 1 25 3  29 o 41.729  2.0502 13.764   1.3412  14.211   1.8725  13.293   1.9220  42.146  2.8508 40.702  3.0340 1.443714       4.163159 
1 1 1 25 3  30 o 35.798  2.4104 10.210   1.3448  10.063   1.8899  10.360   1.9141  35.237  3.4661 35.760  3.4574 -0.5233002     4.895689 
1 1 1 25 3  31 o 30.543  2.7158 7.4846   1.2868  8.3394   1.7953  6.5814   1.8454  31.972  3.6471 28.127  4.3235 3.844414       5.656339 
1 1 1 25 3  32 o 30.812  2.6769 7.6163   1.2802  5.0684   1.7330  10.677   1.8994  24.469  4.6884 36.298  3.3766 -11.82858      5.777791 
1 1 1 25 3  33 o 27.896  2.8910 6.2827   1.2459  6.1913   1.6970  6.3896   1.8351  27.305  4.0905 27.638  4.3817 -0.3329201     5.994299 
1 1 1 25 3  34 o 17.631  4.5298 2.6546   1.2587  4.3805   1.6965  0.5410   1.8774  22.579  4.9309 13.180  5.4873 9.399094       7.377278 
1 1 1 25 3  35 o 41.084  2.3108 13.455   1.4823  14.060   2.2091  12.960   1.9991  41.597  3.4178 40.009  3.2145 1.588814       4.691970 
1 1 1 25 3  36 o 67.582  1.6623 36.071   1.7612  35.699   2.4470  36.471   2.5368  66.990  2.3301 67.685  2.3907 -0.6951294     3.338412 
1 1 1 25 3  37 o 16.336  4.6365 2.2851   1.2426  1.9707   1.6503  2.6966   1.8881  15.714  5.4671 17.802  5.8495 -2.087939      8.006610 
1 1 1 25 3  38 o 35.678  2.3129 10.180   1.2866  9.5607   1.7298  10.946   1.9250  34.236  3.2624 36.595  3.3941 -2.359425      4.707781 
1 1 1 25 3  39 o 28.340  2.8801 6.5234   1.2618  3.6471   1.8938  8.8199   1.6921  20.204  5.7203 32.813  3.3359 -12.60895      6.621882 
1 1 1 25 3  40 o 45.261  1.9528 16.265   1.3856  16.507   1.8888  15.982   2.0389  45.272  2.6731 44.418  2.9447 0.8545227      3.977075 
1 1 1 25 3  41 o 30.619  2.5281 7.5647   1.2026  8.8319   1.6874  6.2567   1.7145  32.772  3.3308 27.169  4.1575 5.602993       5.327237 
1 1 1 25 3  42 o 47.190  1.8766 17.689   1.3883  16.716   1.9148  18.768   2.0157  45.480  2.6977 48.210  2.6776 -2.729790      3.800931 
1 1 1 25 3  43 o 24.532  3.1696 4.9785   1.1905  3.7883   1.6519  6.2648   1.7172  20.539  5.1420 27.084  4.1788 -6.545166      6.625949 
1 1 1 25 3  44 o 20.686  3.6684 3.6333   1.1460  1.4746   1.5449  6.2751   1.7090  14.021  5.2335 27.070  4.1603 -13.04865      6.685635 
1 1 1 25 3  45 o 10.862  4.4071 0.5542   1.1708  0.4482   1.6924  0.6515   1.6215  12.152  5.1437 12.344  5.1161 -0.1921835     7.254786 
1 1 1 25 3  46 o 18.782  4.3562 3.1130   1.2578  3.3413   1.7962  2.8935   1.7618  18.983  5.6308 17.778  5.6346 1.204485       7.965781 
1 1 1 25 3  47 o 13.996  4.6556 1.6694   1.1947  0.7872   1.7260  2.4808   1.6553  12.791  5.2881 16.608  5.4780 -3.816127      7.613953 
1 1 1 25 3  48 o 36.538  2.5345 10.851   1.4428  11.883   2.2171  10.092   1.9001  37.419  3.8337 34.651  3.5480 2.768204       5.223543 
1 1 1 25 3  49 o 18.072  4.4681 2.9256   1.2587  3.1468   1.7826  2.7056   1.7775  18.312  5.6476 17.140  5.6776 1.171396       8.008205 
1 1 1 25 3  50 o 34.388  2.6872 9.6794   1.4371  11.649   2.1758  8.1552   1.9141  36.989  3.8066 30.721  4.0750 6.267948       5.576353 
1 1 1 25 3  51 o 54.550  2.1960 23.945   1.8780  25.396   2.8741  22.863   2.4808  55.168  3.3390 52.627  3.0196 2.540462       4.501843 
1 1 1 25 3  52 o 10.857  4.6259 0.3119   1.3844  -0.4822  1.9459  1.1257   1.9699  11.250  5.1018 13.756  5.6644 -2.506166      7.623229 
1 1 1 25 3  53 o 8.1537  3.9227 -1.8350  1.4743  -5.9886  1.8609  5.1657   2.4159  6.8384  3.4636 22.531  6.4880 -15.69249      7.354632 
1 1 1 25 3  54 o 8.6124  4.0915 -1.4600  1.4992  -0.6372  1.8551  -3.0090  2.5453  10.726  4.9090 10.412  5.0447 0.3139210      7.038991 
1 1 1 25 3  55 o 9.9303  4.4611 -0.2821  1.4478  0.2617   1.8343  -1.1804  2.3578  11.863  5.1890 11.399  5.3263 0.4636612      7.436107 
1 1 1 25 3  56 o 12.492  4.9583 1.0949   1.4485  0.8227   2.0225  1.3816   2.0756  13.066  5.5799 14.083  5.8085 -1.017140      8.054454 
1 1 1 25 3  57 o 13.977  5.0897 1.7353   1.4459  2.8371   2.1637  0.8461   1.9437  16.819  6.2101 12.856  5.4797 3.962691       8.282039 
1 1 1 25 3  58 o 25.435  3.6942 5.7049   1.4299  5.5110   2.2192  5.8426   1.8699  22.863  6.0846 24.660  5.0078 -1.797337      7.880399 
1 1 1 25 4  0  o 42.857  4.6897 15.078   3.0549  15.078   3.0549  15.078   3.0549  42.857  4.6897 42.857  4.6897 0.000000       0.000000 
1 1 1 25 4  1  o 67.305  2.6564 35.868   2.8028  36.676   4.3344  35.288   3.6744  67.468  4.1177 66.409  3.5422 1.058731       5.431687 
1 1 1 25 4  2  o 22.426  4.9617 4.2307   1.6982  -0.0391  3.0700  6.1132   2.0384  15.671  6.7853 27.058  4.9894 -11.38677      8.422251 
1 1 1 25 4  3  o 27.203  4.0644 6.0589   1.6801  6.7935   3.3177  5.8055   1.9484  27.844  7.4531 26.380  4.8916 1.464039       8.914968 
1 1 1 25 4  4  o 32.297  3.1383 8.3675   1.5689  6.8133   2.5696  9.2912   1.9810  28.280  5.9829 33.879  3.7951 -5.599501      7.085083 
1 1 1 25 4  5  o 19.643  4.6261 3.2380   1.4010  3.2014   2.0822  3.2682   1.8938  19.647  6.1111 19.725  5.7629 -0.7776833E-01 8.399846 
1 1 1 25 4  6  o 48.053  2.2362 18.232   1.6846  16.710   2.5296  19.444   2.2581  45.618  3.5656 49.414  2.9281 -3.796009      4.613791 
1 1 1 25 4  7  o 55.334  1.9458 24.134   1.6879  22.637   2.3759  25.660   2.3983  53.347  2.8512 56.913  2.6880 -3.566113      3.918544 
1 1 1 25 4  8  o 16.984  4.5392 2.4109   1.2317  0.4080   1.8237  4.0909   1.6702  12.983  5.4069 22.038  4.9549 -9.055123      7.333884 
1 1 1 25 4  9  o 16.953  4.6043 2.4011   1.2553  3.1005   1.8709  1.8284   1.6929  19.254  5.7548 15.728  5.5335 3.526130       7.983546 
1 1 1 25 4  10 o 11.120  4.5157 0.4432   1.2304  -0.4561  1.8105  1.2151   1.6773  11.518  5.0922 14.218  5.4206 -2.700485      7.437325 
1 1 1 25 4  11 o 11.963  4.6348 0.7729   1.2400  1.4149   1.8420  0.2409   1.6767  15.040  5.6933 12.214  5.1422 2.825682       7.671740 
1 1 1 25 4  12 o 29.690  2.8294 7.0557   1.3010  7.5892   1.9472  6.6255   1.7486  30.445  4.1908 28.459  4.0321 1.986629       5.815546 
1 1 1 25 4  13 o 34.097  2.5278 9.2526   1.3415  10.951   2.1217  8.1216   1.7316  36.803  3.7288 31.694  3.5460 5.109688       5.145667 
1 1 1 25 4  14 o 80.282  1.5723 50.718   1.9788  48.393   3.0204  52.466   2.6191  78.199  2.4638 81.543  2.0489 -3.344559      3.204440 
1 1 1 25 4  15 o 12.665  4.5770 1.1052   1.1661  1.5258   1.8037  0.8030   1.5286  15.187  5.6576 12.879  5.0993 2.308105       7.616502 
1 1 1 25 4  16 o 20.034  4.0050 3.3355   1.2139  1.6701   1.7664  4.8260   1.6710  15.443  5.6252 24.034  4.6027 -8.591174      7.268248 
1 1 1 25 4  17 o 100.090 1.4984 78.818   2.3511  76.152   3.5395  80.924   3.1454  98.135  2.3007 101.277 1.9811 -3.142426      3.036111 
1 1 1 25 4  18 o 54.467  1.8175 23.384   1.5519  26.870   2.4769  21.131   1.9912  58.187  2.7154 51.657  2.4588 6.529423       3.663219 
1 1 1 25 4  19 f 55.828  1.8570 24.577   1.6253  26.220   2.4419  23.269   2.1776  57.473  2.7103 54.178  2.5640 3.295013       3.730891 
1 1 1 25 4  20 o 44.747  2.0509 15.812   1.4387  17.139   2.1886  14.801   1.9091  46.291  3.0326 43.057  2.8444 3.233963       4.157815 
1 1 1 25 4  21 o 18.447  4.2582 2.8591   1.2064  1.6289   1.8103  3.8419   1.6181  15.386  5.6806 21.272  4.9459 -5.886330      7.532024 
1 1 1 25 4  22 o 24.549  3.3673 4.9071   1.2618  6.4006   1.9658  3.8608   1.6454  27.674  4.6993 21.299  5.0115 6.375309       6.870114 
1 1 1 25 4  23 o 44.834  2.0550 15.883   1.4444  13.838   2.1960  17.443   1.9175  41.426  3.4118 46.795  2.6245 -5.368622      4.304446 
1 1 1 25 4  24 o 44.548  2.0710 15.687   1.4463  16.132   2.2709  15.383   1.8759  44.790  3.2565 43.895  2.7398 0.8945236      4.255765 
1 1 1 25 4  25 o 22.292  3.5617 4.0866   1.2028  3.4499   1.7696  4.6333   1.6398  20.038  5.4769 23.441  4.6264 -3.403658      7.169415 
1 1 1 25 4  26 f 19.270  4.1321 3.1213   1.2108  5.9289   1.8506  1.0198   1.6010  26.583  4.6077 13.473  5.2535 13.10994       6.987832 
1 1 1 25 4  27 o 35.051  2.4410 9.8006   1.3329  8.7175   2.0191  10.637   1.7746  32.552  4.0437 36.321  3.1478 -3.768894      5.124463 
1 1 1 25 4  28 o 31.633  2.5276 8.0052   1.2430  6.9001   1.7731  9.0730   1.7429  28.900  4.0229 33.439  3.3708 -4.539122      5.248407 
1 1 1 25 4  29 o 55.066  1.7455 23.939   1.5068  26.458   2.2745  21.968   2.0116  57.671  2.5158 52.572  2.4408 5.098202       3.505230 
1 1 1 25 4  30 o 20.158  3.9028 3.4051   1.1888  3.7222   1.7732  3.1462   1.6022  20.682  5.4077 19.083  5.2095 1.599039       7.508827 
1 1 1 25 4  31 o 15.974  4.5281 2.1647   1.1859  3.2936   1.7479  1.2018   1.6143  19.457  5.4910 13.832  5.3072 5.625185       7.636611 
1 1 1 25 4  32 o 17.476  4.3804 2.6106   1.1978  4.2837   1.8065  1.2981   1.6000  22.161  5.2759 14.003  5.3049 8.157910       7.481770 
1 1 1 25 4  33 f 51.153  1.9532 20.729   1.5663  19.157   2.1074  22.670   2.3411  48.844  2.7635 53.120  2.8214 -4.275764      3.949317 
1 1 1 25 4  34 o 44.737  2.0974 15.890   1.4709  16.955   2.0893  14.844   2.0713  45.852  2.9219 42.812  3.1073 3.040108       4.265309 
1 1 1 25 4  35 o 10.325  4.2543 0.3544   1.1121  -0.5332  1.6585  1.0797   1.4991  10.661  4.7831 13.188  5.0999 -2.527156      6.991900 
1 1 1 25 4  36 o 64.457  1.7506 32.890   1.7689  31.417   2.4384  34.526   2.5700  62.687  2.4813 65.709  2.4949 -3.021263      3.518754 
1 1 1 25 4  37 o 21.350  3.8548 3.8515   1.2427  4.3921   1.9646  3.4909   1.6045  22.092  5.6502 19.867  5.1198 2.225044       7.624769 
1 1 1 25 4  38 o 33.059  2.6036 8.8252   1.3384  8.7541   2.0995  8.8739   1.7371  32.156  4.2706 32.805  3.4285 -0.6485214     5.476514 
1 1 1 25 4  39 f 45.952  1.9869 16.800   1.4313  16.196   2.0481  17.376   2.0011  44.639  2.9432 46.337  2.7674 -1.698505      4.039975 
1 1 1 25 4  40 o 11.701  4.5452 0.8398   1.1948  -0.1006  1.7861  1.6014   1.6074  11.584  5.0923 14.479  5.3514 -2.895447      7.387102 
1 1 1 25 4  41 o 21.959  3.8792 4.1163   1.2865  7.0949   2.0006  2.0159   1.6799  28.550  4.6285 15.556  5.5080 12.99357       7.194464 
1 1 1 25 4  42 f 28.546  3.0657 6.7205   1.3504  5.8658   2.0511  7.3745   1.7942  25.448  5.3129 29.436  3.9910 -3.987953      6.644931 
1 1 1 25 4  43 o 25.471  3.3028 5.4174   1.2877  7.5429   2.0489  4.0297   1.6556  29.355  4.6038 21.074  5.0724 8.280630       6.850158 
1 1 1 25 4  44 o 26.882  3.2101 6.0183   1.3261  5.7429   2.0040  6.2327   1.7686  25.086  5.2638 26.730  4.3717 -1.644453      6.842460 
1 1 1 25 4  45 o 26.162  3.3044 5.7332   1.3250  6.8907   2.0705  4.9304   1.7244  27.707  4.9483 23.397  4.8602 4.310617       6.935890 
1 1 1 25 4  46 o 9.2814  4.2242 -0.5660  1.3494  -3.7846  2.1182  1.6322   1.7505  8.8227  4.3430 14.513  5.5366 -5.690166      7.036722 
1 1 1 25 4  47 o 18.862  5.0923 3.2896   1.5409  2.9356   2.2969  3.5794   2.0779  17.752  6.4224 19.237  6.1216 -1.485260      8.872477 
1 1 1 25 4  48 o 16.794  5.2289 2.6007   1.5240  2.9055   2.1580  2.2974   2.1525  17.597  6.2414 16.297  6.1580 1.300140       8.767939 
1 1 1 25 4  49 o 32.358  3.5022 8.8567   1.7482  8.8228   2.4260  8.8934   2.5214  31.043  5.1666 30.981  5.3871 0.6222343E-01  7.464192 
1 1 1 25 4  50 o 14.519  5.3315 1.7756   1.5913  1.2405   2.5007  2.1397   2.0629  14.793  6.2567 15.803  6.0148 -1.010020      8.678919 
1 1 1 25 4  51 o 22.315  4.1753 4.4145   1.4070  2.3241   2.2240  5.8093   1.8167  16.241  6.2300 25.268  4.7610 -9.026241      7.840913 
1 1 1 25 4  52 f 8.1572  3.8639 -1.2528  1.3180  1.1463   2.0271  -3.0097  1.7347  13.748  5.7110 8.0505  3.9565 5.697787       6.947656 
1 1 1 25 4  53 o 22.989  4.1222 4.7065   1.4310  6.2506   2.2122  3.5956   1.8765  25.268  5.7181 19.019  5.7812 6.248466       8.131394 
1 1 1 25 4  54 o 18.716  4.8261 3.3097   1.4251  6.1570   2.2352  1.3595   1.8499  24.821  5.8416 13.688  5.5445 11.13314       8.053939 
1 1 1 25 4  55 o 16.514  4.9387 2.6168   1.3776  1.7271   1.9929  3.4309   1.9064  14.464  5.7912 18.293  5.8680 -3.828768      8.244445 
1 1 1 25 4  56 o 13.636  5.1135 1.6375   1.4782  -0.4745  1.9542  4.4621   2.2599  10.914  5.0110 20.173  6.3803 -9.258118      8.112890 
1 1 1 25 5  0  o 16.395  6.8875 3.0416   1.7803  3.0416   1.7803  3.0416   1.7803  16.395  6.8875 16.395  6.8875 0.000000       0.000000 
1 1 1 25 5  1  o 109.558 1.5169 94.440   2.6053  95.109   3.6955  93.778   3.6735  109.737 2.1482 108.965 2.1505 0.7716370      3.039610 
1 1 1 25 5  2  o 20.490  4.1303 3.4965   1.2809  3.3896   1.8444  3.5960   1.7802  19.982  5.6410 20.554  5.4401 -0.5713978     7.836815 
1 1 1 25 5  3  o 23.462  3.5065 4.4929   1.2501  5.1922   1.8045  3.8474   1.7336  24.887  4.7992 21.273  5.2341 3.613930       7.101294 
1 1 1 25 5  4  o 8.4494  3.9063 -0.9470  1.2170  0.5171   1.6288  -2.7977  1.8312  12.567  5.1598 8.9263  4.3136 3.640471       6.725362 
1 1 1 25 5  5  o 10.259  4.3896 0.0106   1.2559  -0.7586  1.6486  1.0741   1.9385  10.480  4.7294 14.519  5.7443 -4.038762      7.440732 
1 1 1 25 5  6  o 44.994  2.0309 15.978   1.4325  16.198   1.8674  15.664   2.2330  45.119  2.6518 44.201  3.2453 0.9173851      4.190920 
1 1 1 25 5  7  o 14.006  4.7914 1.4885   1.2653  1.3669   1.7024  1.6386   1.8913  14.586  5.4841 15.598  5.7968 -1.011940      7.979895 
1 1 1 25 5  8  o 27.342  3.3551 6.0557   1.4079  5.8573   1.9748  6.2607   2.0078  26.407  4.9522 27.354  4.8602 -0.9467678     6.938765 
1 1 1 25 5  9  f 55.662  1.8975 24.435   1.6557  26.441   2.5163  22.904   2.1988  57.697  2.7819 53.742  2.6099 3.955009       3.814519 
1 1 1 25 5  10 o 42.008  2.2101 13.987   1.4504  13.868   2.2265  14.076   1.9116  41.500  3.4537 41.968  2.9238 -0.4683304     4.525090 
1 1 1 25 5  11 o 48.910  1.9785 18.880   1.5171  20.012   2.4102  18.138   1.9523  50.019  3.0888 47.747  2.6182 2.272003       4.049188 
1 1 1 25 5  12 o 70.643  1.6474 39.306   1.8244  42.497   2.9313  37.288   2.3310  73.208  2.5541 68.686  2.1648 4.522324       3.348108 
1 1 1 25 5  13 o 20.299  4.0237 3.4321   1.2352  4.4656   1.9216  2.7044   1.6125  22.836  5.4445 17.950  5.3375 4.885317       7.624399 
1 1 1 25 5  14 o 17.335  4.4545 2.5319   1.2171  0.5564   1.8698  3.9841   1.6032  13.316  5.5043 21.688  4.8383 -8.372729      7.328489 
1 1 1 25 5  15 o 9.9951  4.2103 0.1408   1.1251  -1.1869  1.6135  1.3973   1.5696  9.7506  4.5042 14.333  5.2899 -4.582723      6.947758 
1 1 1 25 5  16 o 35.117  2.2486 9.7982   1.2314  8.1084   1.7134  11.603   1.7709  31.612  3.5171 38.040  2.9938 -6.428177      4.618794 
1 1 1 25 5  17 f 52.312  1.7109 21.572   1.4031  22.022   1.9784  21.117   1.9902  52.712  2.3942 51.602  2.4603 1.110752       3.432915 
1 1 1 25 5  18 o 50.050  1.9357 19.781   1.5188  18.332   2.1102  21.338   2.1877  47.905  2.8224 51.733  2.7070 -3.827953      3.910720 
1 1 1 25 5  19 o 71.969  1.5404 40.794   1.7379  39.250   2.3192  42.772   2.6245  70.448  2.0999 73.483  2.2783 -3.035019      3.098416 
1 1 1 25 5  20 o 10.920  4.3009 0.5931   1.0821  0.8283   1.4980  0.3364   1.5648  12.772  5.0508 11.945  4.9945 0.8266964      7.103206 
1 1 1 25 5  21 o 78.304  1.4543 48.278   1.7852  48.788   2.5128  47.758   2.5368  78.545  2.0407 77.697  2.0827 0.8478775      2.915814 
1 1 1 25 5  22 o 20.464  3.5795 3.4649   1.1065  3.7886   1.5247  3.1048   1.6084  21.090  4.7284 19.022  5.2306 2.067900       7.051041 
1 1 1 25 5  23 o 67.233  1.5820 35.632   1.6674  36.011   2.2747  35.191   2.4512  67.428  2.1520 66.590  2.3481 0.8381805      3.185037 
1 1 1 25 5  24 o 65.705  1.5410 34.027   1.5872  36.977   2.2713  31.212   2.2189  68.325  2.1206 62.730  2.2564 5.595158       3.096473 
1 1 1 25 5  25 o 50.002  1.8002 19.751   1.4111  19.366   1.9887  20.141   2.0026  49.245  2.5851 50.235  2.5514 -0.9902878     3.632067 
1 1 1 25 5  26 o 16.945  4.2798 2.4420   1.1372  0.9081   1.5816  4.0840   1.6363  13.103  5.1872 21.788  4.9086 -8.684770      7.141501 
1 1 1 25 5  27 o 34.585  2.3184 9.5474   1.2497  9.7109   1.7701  9.3850   1.7646  34.565  3.3070 33.956  3.3589 0.6088181      4.713662 
1 1 1 25 5  28 o 12.018  4.4604 0.9703   1.1190  -0.2376  1.5587  2.2550   1.6075  10.817  4.7563 16.467  5.3967 -5.649513      7.193489 
1 1 1 25 5  29 o 28.357  2.6878 6.4847   1.1806  5.4635   1.6681  7.5096   1.6711  25.435  4.3392 30.217  3.5985 -4.782753      5.637135 
1 1 1 25 5  30 o 18.350  4.0715 2.8657   1.1406  4.1591   1.5991  1.5259   1.6275  21.937  4.7846 14.551  5.3833 7.385966       7.202251 
1 1 1 25 5  31 o 49.914  1.8626 19.736   1.4575  18.698   2.0374  20.824   2.0858  48.232  2.7055 50.947  2.6204 -2.715237      3.766412 
1 1 1 25 5  32 o 46.832  1.8980 17.390   1.3935  18.547   1.9777  16.248   1.9637  48.045  2.6358 44.886  2.8047 3.158604       3.848884 
1 1 1 25 5  33 o 25.518  3.1291 5.3414   1.2255  2.7066   1.6057  9.0180   1.8967  17.587  5.3482 32.976  3.7349 -15.38884      6.523260 
1 1 1 25 5  34 o 15.212  4.5744 1.9828   1.1794  1.3333   1.5973  2.7615   1.7490  13.919  5.2939 17.730  5.6134 -3.811128      7.715896 
1 1 1 25 5  35 o 16.296  4.7011 2.3137   1.2674  3.0872   1.7598  1.4804   1.8268  18.572  5.5883 14.645  5.6391 3.927437       7.939067 
1 1 1 25 5  36 o 39.903  2.1990 12.751   1.3702  13.188   1.9800  12.350   1.8983  40.130  3.1732 38.841  3.1445 1.288689       4.467279 
1 1 1 25 5  37 o 28.575  2.9710 6.6942   1.3115  5.2035   1.9686  7.8838   1.7585  24.008  5.3655 30.665  3.7353 -6.657099      6.537643 
1 1 1 25 5  38 o 37.963  2.2414 11.578   1.3280  11.510   1.9465  11.638   1.8165  37.291  3.3658 37.646  3.1057 -0.3547935     4.579740 
1 1 1 25 5  39 o 40.137  2.2773 12.961   1.4270  12.583   1.9631  13.385   2.0779  39.038  3.2368 40.214  3.3259 -1.175922      4.641006 
1 1 1 25 5  40 f 14.222  4.6670 1.7315   1.2020  0.3313   1.6987  3.1360   1.7012  11.925  5.1036 18.452  5.4815 -6.527251      7.489576 
1 1 1 25 5  41 o 35.012  2.5201 9.9547   1.3740  11.837   2.1146  8.5791   1.8075  37.516  3.6414 31.867  3.6862 5.648516       5.181499 
1 1 1 25 5  42 o 22.358  4.0238 4.3391   1.3585  6.0106   1.9850  2.8666   1.8631  25.721  5.1029 17.592  5.8122 8.129318       7.734419 
1 1 1 25 5  43 o 9.1336  4.1958 -0.7242  1.3729  -0.1198  1.7990  -1.5671  2.1245  11.399  5.0560 10.603  4.9868 0.7954597      7.101520 
1 1 1 25 5  44 o 21.610  4.5492 4.1870   1.4924  5.5961   2.0095  2.4538   2.2287  24.509  5.3778 16.699  6.2755 7.809731       8.264582 
1 1 1 25 5  45 o 39.087  2.5964 12.475   1.5819  10.906   2.1951  14.170   2.2817  35.573  4.0058 40.941  3.5914 -5.368073      5.380009 
1 1 1 25 5  46 o 15.113  5.0888 2.0380   1.4271  0.7185   2.3019  2.8618   1.8188  13.716  5.9072 17.404  5.7421 -3.688374      8.238147 
1 1 1 25 5  47 o 34.964  2.6692 10.033   1.4520  11.102   2.1163  9.0835   1.9958  35.981  3.8099 32.363  4.0205 3.617611       5.538939 
1 1 1 25 5  48 o 30.489  2.9388 7.7267   1.3873  8.0252   2.0324  7.4663   1.8983  30.035  4.4510 29.072  4.2944 0.9630585      6.184945 
1 1 1 25 5  49 o 29.248  3.1484 7.1886   1.4209  5.2507   1.9761  9.2627   2.0444  23.403  5.4824 32.525  4.1008 -9.122009      6.846425 
1 1 1 25 5  50 o 17.930  4.9364 3.0266   1.4315  2.4501   1.8926  3.7974   2.1884  16.177  5.8333 19.276  6.2957 -3.099850      8.582676 
1 1 1 25 5  51 o 29.518  3.1651 7.3672   1.4418  10.413   2.0833  4.5671   1.9974  34.509  3.9205 21.346  5.8124 13.16322       7.010989 
1 1 1 25 5  52 o 14.605  4.9645 1.9684   1.3583  1.3971   1.8661  2.6121   1.9810  13.737  5.5671 16.364  5.9576 -2.626947      8.153922 
1 1 1 25 5  53 o 39.865  2.4833 13.099   1.5442  11.088   2.1279  15.336   2.2446  35.434  3.8949 42.246  3.4185 -6.811836      5.182278 
1 1 1 25 5  54 o 25.566  3.6872 5.7793   1.4351  3.6220   1.9324  8.4318   2.1428  18.517  5.9045 29.956  4.7191 -11.43917      7.558630 
1 1 1 25 6  0  o 90.978  2.2393 65.241   3.1894  65.241   3.1894  65.241   3.1894  90.978  2.2393 90.978  2.2393 0.000000       0.000000 
1 1 1 25 6  1  o 32.660  2.4978 8.5092   1.2692  8.0444   1.8418  8.9295   1.7514  31.385  3.8223 33.218  3.4116 -1.833515      5.123383 
1 1 1 25 6  2  o 72.960  1.5739 41.924   1.8001  41.898   2.6619  41.946   2.4436  72.729  2.3347 72.831  2.1402 -0.1020813     3.167240 
1 1 1 25 6  3  o 68.837  1.5970 37.326   1.7234  36.378   2.4826  38.207   2.3943  67.767  2.3368 69.492  2.1978 -1.724815      3.207968 
1 1 1 25 6  4  o 19.583  3.8433 3.1914   1.1377  3.5225   1.5863  2.8406   1.6327  20.322  5.0108 18.317  5.3508 2.004513       7.330717 
1 1 1 25 6  5  o 32.465  2.4791 8.4075   1.2522  10.263   1.7548  6.4823   1.7873  35.704  3.1680 28.001  4.2014 7.702721       5.261921 
1 1 1 25 6  6  o 39.931  2.0725 12.637   1.2929  14.632   1.8602  10.773   1.7982  42.792  2.7882 36.584  3.1666 6.208553       4.219141 
1 1 1 25 6  7  o 86.612  1.4515 59.046   1.9709  58.635   2.7998  59.451   2.7749  86.123  2.0737 86.732  2.0409 -0.6089783     2.909550 
1 1 1 25 6  8  o 8.9797  3.9764 -0.3139  1.1082  0.9515   1.5652  -1.5858  1.5692  13.244  5.1861 9.0865  4.2773 4.157279       6.722387 
1 1 1 25 6  9  o 15.997  4.4456 2.1500   1.1550  1.6756   1.7289  2.5323   1.5521  15.295  5.5662 17.370  5.2529 -2.075438      7.653416 
1 1 1 25 6  10 o 38.711  2.1759 11.896   1.3151  12.045   1.9414  11.770   1.7878  38.662  3.2328 38.288  3.0026 0.3744926      4.412038 
1 1 1 25 6  11 o 12.039  4.5053 0.9269   1.1463  0.6690   1.6628  1.1605   1.5825  12.898  5.2450 13.754  5.2601 -0.8559647     7.428215 
1 1 1 25 6  12 o 25.651  3.0407 5.3265   1.1989  8.7262   1.8174  2.7071   1.5953  32.741  3.6004 17.880  5.3072 14.86110       6.413218 
1 1 1 25 6  13 o 43.701  2.1646 15.120   1.4830  15.945   1.9730  14.048   2.2483  44.635  2.8343 41.666  3.4738 2.969276       4.483358 
1 1 1 25 6  14 o 44.355  2.2079 15.585   1.5353  19.831   2.1366  11.052   2.2075  49.819  2.7463 36.765  3.8892 13.05425       4.761134 
1 1 1 25 6  15 o 55.869  1.8740 24.657   1.6414  24.527   2.1167  24.854   2.5994  55.575  2.4296 55.685  2.9886 -0.1101913     3.851607 
1 1 1 25 6  16 o 55.652  1.8483 24.464   1.6125  24.562   2.0836  24.318   2.5462  55.619  2.3897 55.081  2.9596 0.5387573      3.803937 
1 1 1 25 6  17 o 60.634  1.7903 29.031   1.7017  28.474   2.2254  29.816   2.6409  59.883  2.3705 61.140  2.7553 -1.256817      3.634689 
1 1 1 25 6  18 o 9.6334  4.2692 -0.3388  1.2799  -1.0235  1.7382  0.4718   1.8915  10.362  4.7458 13.117  5.4884 -2.754524      7.255695 
1 1 1 25 6  19 o 53.886  2.0676 22.997   1.7466  22.873   2.4357  23.128   2.5060  53.393  2.9211 53.661  2.9909 -0.2680664     4.180674 
1 1 1 25 6  20 o 73.870  1.7022 43.082   1.9712  42.362   2.9095  43.693   2.6800  72.927  2.5449 74.170  2.3049 -1.243141      3.433578 
1 1 1 25 6  21 o 24.755  3.3441 5.0223   1.2646  4.0010   1.8666  5.8886   1.7192  21.373  5.5292 26.502  4.2842 -5.128864      6.994733 
1 1 1 25 6  22 o 44.441  2.2132 15.682   1.5419  11.258   2.4828  18.460   1.9673  36.747  4.3973 48.025  2.6230 -11.27798      5.120164 
1 1 1 25 6  23 f 77.604  1.6206 47.545   1.9716  48.210   3.0007  47.040   2.6153  77.784  2.4608 76.975  2.1673 0.8089600      3.279122 
1 1 1 25 6  24 o 35.269  2.5909 9.9852   1.4225  7.0900   2.0587  12.630   1.9678  28.880  4.7095 39.452  3.2095 -10.57232      5.699141 
1 1 1 25 6  25 o 43.921  2.1789 15.331   1.5002  14.390   2.3062  16.021   1.9754  41.952  3.5396 44.603  2.8399 -2.650490      4.538058 
1 1 1 25 6  26 o 34.901  2.4260 9.7622   1.3191  7.3565   1.8597  12.197   1.8712  29.648  4.1121 38.772  3.1046 -9.124134      5.152443 
1 1 1 25 6  27 o 20.519  3.9009 3.5574   1.2090  4.1874   1.7451  2.9761   1.6764  21.816  5.1798 18.411  5.4345 3.405596       7.507590 
1 1 1 25 6  28 o 10.629  4.3671 0.4074   1.1677  -0.7439  1.6144  1.6706   1.6911  10.186  4.6298 14.938  5.4944 -4.751830      7.184966 
1 1 1 25 6  29 o 26.988  2.8856 5.9313   1.2019  7.2316   1.7330  4.7262   1.6683  29.431  3.8484 23.336  4.7225 6.094370       6.091969 
1 1 1 25 6  30 o 16.569  4.5198 2.3853   1.2065  2.4995   1.7354  2.2785   1.6786  17.016  5.6088 16.393  5.5191 0.6230354      7.868869 
1 1 1 25 6  31 o 28.876  2.8621 6.7936   1.2786  7.7744   1.8794  5.9485   1.7445  30.367  4.0487 26.350  4.3767 4.016964       5.962136 
1 1 1 25 6  32 o 28.850  2.8815 6.7939   1.2858  5.9555   1.8684  7.5483   1.7722  26.143  4.7331 29.975  3.8612 -3.832140      6.108311 
1 1 1 25 6  33 o 19.478  4.0641 3.2726   1.2008  2.3234   1.6788  4.2672   1.7184  16.391  5.5194 21.824  5.1123 -5.433689      7.523249 
1 1 1 25 6  34 o 13.695  4.9035 1.4795   1.3350  1.0674   1.7171  2.1093   2.1226  13.440  5.3776 16.261  6.1217 -2.820637      8.148231 
1 1 1 25 6  35 o 37.859  2.4131 11.569   1.4247  9.3135   2.0932  13.516   1.9447  33.039  4.1317 40.573  3.0804 -7.534634      5.153633 
1 1 1 25 6  36 o 8.9672  4.1551 -0.9260  1.3885  0.1527   2.4471  -1.4382  1.6863  13.507  5.9486 9.4323  4.4382 4.074666       7.421794 
1 1 1 25 6  37 o 28.666  3.4191 6.8844   1.5062  8.2338   2.0162  5.1802   2.2657  30.850  4.2845 23.237  6.1308 7.613073       7.479536 
1 1 1 25 6  38 o 12.700  5.0251 1.0230   1.4835  -0.2313  1.8008  3.6712   2.6167  11.278  5.0272 19.462  6.8760 -8.183790      8.517762 
1 1 1 25 6  39 o 10.508  4.5802 0.0381   1.4180  -0.4220  1.9219  0.5877   2.1006  11.334  5.1113 13.228  5.6689 -1.893829      7.632950 
1 1 1 25 6  40 o 16.555  4.7693 2.4872   1.3052  1.0756   1.9705  3.5907   1.7423  13.733  5.6612 19.519  5.4729 -5.786075      7.874162 
1 1 1 25 6  41 o 11.359  4.6121 0.6801   1.2833  1.0499   1.9321  0.3882   1.7166  13.576  5.6023 11.934  5.1197 1.642380       7.589260 
1 1 1 25 6  42 o 23.345  3.7685 4.7045   1.3322  4.2928   1.9773  5.0468   1.8027  21.053  5.8039 23.386  5.0639 -2.332808      7.702521 
1 1 1 25 6  43 o 23.050  3.8555 4.6159   1.3440  6.4724   1.9043  2.7736   1.8970  26.794  4.7054 17.144  5.8667 9.649382       7.520587 
1 1 1 25 6  44 f 8.9967  4.1292 -0.6544  1.3255  0.1790   1.8761  -1.4850  1.8730  11.933  5.2331 9.8493  4.6475 2.084142       6.998894 
1 1 1 25 6  45 o 20.506  4.6181 3.8400   1.4488  1.5060   2.1314  5.8447   1.9754  14.588  5.9359 24.989  5.2114 -10.40100      7.898947 
1 1 1 25 6  46 o 15.746  4.9020 2.2895   1.3395  0.5468   1.8566  4.1811   1.9343  12.403  5.3228 20.614  5.7620 -8.211053      7.844259 
1 1 1 25 6  47 o 36.610  2.6709 11.049   1.5223  10.256   2.1110  11.908   2.1972  34.246  4.0079 37.079  3.8354 -2.832996      5.547384 
1 1 1 25 6  48 o 22.697  4.0684 4.5886   1.3944  5.0649   1.9445  4.0843   2.0006  22.786  5.5052 20.085  5.9390 2.700951       8.098077 
1 1 1 25 6  49 o 10.666  4.5480 0.3719   1.3399  -1.1441  1.8519  2.0372   1.9409  10.000  4.6880 15.120  5.8152 -5.119842      7.469512 
1 1 1 25 6  50 o 21.468  4.8133 4.3661   1.5799  7.4690   2.0001  -0.7823  2.5764  28.409  4.6521 12.066  5.6145 16.34281       7.291380 
1 1 1 25 6  51 o 38.720  2.6814 12.488   1.6176  14.337   2.1999  10.312   2.3867  40.700  3.4815 33.236  4.7127 7.463734       5.859233 
1 1 1 25 6  52 o 11.856  4.7975 0.9776   1.3834  1.2726   1.8478  0.6013   2.0868  13.193  5.4642 12.501  5.4996 0.6920557      7.752607 
1 1 1 25 7  0  o 20.467  6.0902 4.1288   1.7007  4.1288   1.7007  4.1288   1.7007  20.467  6.0902 20.467  6.0902 0.000000       0.000000 
1 1 1 25 7  1  o 39.066  2.1751 12.130   1.3268  14.964   1.9347  9.6130   1.8230  43.192  2.8738 34.399  3.4261 8.792473       4.471796 
1 1 1 25 7  2  o 53.089  1.9296 22.283   1.6059  25.604   2.5533  20.110   2.0657  56.538  2.8905 50.182  2.6350 6.355602       3.911278 
1 1 1 25 7  3  o 55.114  1.7122 23.972   1.4794  22.816   2.0884  25.136   2.0959  53.567  2.4869 56.260  2.3764 -2.693249      3.439744 
1 1 1 25 7  4  o 49.947  1.8190 19.705   1.4243  21.019   2.0167  18.399   2.0118  51.408  2.5024 47.974  2.6857 3.433823       3.670882 
1 1 1 25 7  5  o 47.810  1.8661 18.064   1.3986  17.383   1.9841  18.736   1.9719  46.611  2.7272 48.438  2.6064 -1.827679      3.772379 
1 1 1 25 7  6  o 25.737  2.9975 5.3691   1.1867  5.5372   1.6816  5.2022   1.6750  25.709  4.3259 24.853  4.4631 0.8559055      6.215565 
1 1 1 25 7  7  o 68.426  1.5614 36.914   1.6748  37.698   2.3924  36.160   2.3454  68.948  2.2134 67.525  2.2157 1.422760       3.131855 
1 1 1 25 7  8  o 9.3275  4.0678 -0.1435  1.1198  1.0253   1.5964  -1.2756  1.5711  13.416  5.2419 9.4222  4.3842 3.993758       6.833662 
1 1 1 25 7  9  o 39.738  2.1208 12.548   1.3164  13.054   1.8662  12.047   1.8572  40.272  2.9771 38.639  3.0919 1.632511       4.292191 
1 1 1 25 7  10 o 18.598  4.0972 2.9248   1.1623  2.7205   1.6207  3.1411   1.6677  17.840  5.3618 19.054  5.3588 -1.214069      7.580599 
1 1 1 25 7  11 o 22.560  3.4227 4.1903   1.1725  3.4162   1.6198  5.0424   1.6994  19.857  5.1573 24.372  4.6169 -4.514742      6.921911 
1 1 1 25 7  12 o 30.372  2.5851 7.4043   1.2191  7.4095   1.7177  7.3989   1.7306  30.012  3.7315 29.977  3.7657 0.3461456E-01  5.301377 
1 1 1 25 7  13 f 7.6734  3.6010 -1.0661  1.0977  -2.7342  1.5270  0.7176   1.5790  7.7598  3.7924 12.673  5.1262 -4.912758      6.376548 
1 1 1 25 7  14 o 53.450  1.7659 22.579   1.4797  24.985   2.1378  20.366   2.0501  56.021  2.4343 50.459  2.6005 5.561329       3.562097 
1 1 1 25 7  15 o 74.724  1.5219 44.041   1.7828  45.229   2.5454  42.897   2.4977  75.491  2.1508 73.513  2.1673 1.978828       3.053393 
1 1 1 25 7  16 o 10.294  4.2801 0.2840   1.1400  -0.0723  1.6095  0.6428   1.6150  11.257  4.8935 12.593  5.1505 -1.336095      7.104502 
1 1 1 25 7  17 o 61.737  1.7300 30.128   1.6743  32.998   2.4671  27.677   2.2796  64.342  2.4459 58.917  2.4681 5.424709       3.474806 
1 1 1 25 7  18 o 34.057  2.4872 9.3010   1.3188  10.617   1.9429  8.1769   1.7958  36.025  3.4836 31.487  3.7093 4.538219       5.088655 
1 1 1 25 7  19 o 69.023  1.6300 37.638   1.7637  37.991   2.5799  37.329   2.4166  69.039  2.3837 68.496  2.2506 0.5425644      3.278268 
1 1 1 25 7  20 o 34.637  2.4648 9.6235   1.3296  9.3519   1.9544  9.8575   1.8141  33.636  3.7713 34.717  3.3760 -1.080795      5.061637 
1 1 1 25 7  21 f 21.811  3.7650 3.9902   1.2408  2.1994   1.7449  5.8218   1.7647  16.348  5.6254 26.146  4.4658 -9.798555      7.182496 
1 1 1 25 7  22 o 49.175  1.9348 19.185   1.4915  19.176   2.1201  19.193   2.0988  48.779  2.7840 48.815  2.7538 -0.3621292E-01 3.915851 
1 1 1 25 7  23 o 13.650  4.7278 1.4699   1.2335  -0.4946  1.6735  3.8069   1.8253  10.735  4.8113 20.634  5.5303 -9.899074      7.330298 
1 1 1 25 7  24 o 23.132  3.6778 4.4817   1.2891  6.1758   1.7682  2.5598   1.8833  26.936  4.3344 17.291  5.8459 9.644552       7.277427 
1 1 1 25 7  25 o 33.130  2.6957 8.8805   1.3879  8.9751   1.8958  8.7712   2.0375  32.842  3.7494 32.274  4.1212 0.5688667      5.571516 
1 1 1 25 7  26 o 20.212  4.4218 3.5475   1.3621  5.2347   1.8159  1.3768   2.0597  24.424  4.9129 14.863  5.9083 9.561348       7.684020 
1 1 1 25 7  27 o 9.5654  4.2614 -0.3277  1.2919  -1.4729  1.6633  1.4139   2.0512  9.3936  4.4161 14.881  5.9023 -5.487648      7.371496 
1 1 1 25 7  28 o 14.640  4.9378 1.7898   1.3436  2.4326   1.8126  1.0059   2.0018  16.774  5.7347 13.988  5.7291 2.786519       8.106142 
1 1 1 25 7  29 o 33.560  2.6619 9.1405   1.3889  11.474   1.9574  6.7740   1.9713  37.246  3.3893 27.874  4.6767 9.371761       5.775761 
1 1 1 25 7  30 o 11.503  4.6647 0.6437   1.3110  -1.2472  1.8232  2.6678   1.8864  10.142  4.7204 17.309  5.8506 -7.167318      7.517450 
1 1 1 25 7  31 o 29.369  3.5977 7.2431   1.6218  7.1880   2.2421  7.3036   2.3487  28.255  5.2551 28.326  5.4873 -0.7077026E-01 7.597824 
1 1 1 25 7  32 o 29.992  4.1097 7.7160   1.8814  8.7016   2.6868  6.7677   2.6354  30.662  5.8022 26.489  6.4147 4.173010       8.649558 
1 1 1 25 7  33 o 8.2870  4.0537 -2.9312  1.7566  -3.2076  2.4059  -2.6157  2.5705  10.082  4.8894 10.968  5.2511 -0.8861618     7.174986 
1 1 1 25 7  34 o 49.937  2.7188 20.335   2.1204  18.087   3.1478  22.202   2.8690  45.632  4.4572 51.469  3.5780 -5.836498      5.715618 
1 1 1 25 7  35 o 12.857  4.9656 1.1615   1.4198  6.9413   2.6509  -1.1635  1.6813  26.577  6.4318 9.6646  4.5098 16.91285       7.855386 
1 1 1 25 7  36 o 31.773  3.3521 8.4704   1.6445  8.5463   2.8249  8.4315   2.0225  29.666  6.2703 31.097  4.2608 -1.430304      7.580990 
1 1 1 25 7  37 o 17.221  5.0555 2.7390   1.4543  2.4305   2.3478  2.9310   1.8524  16.694  6.4016 17.615  5.7943 -0.9219475     8.634485 
1 1 1 25 7  38 o 13.662  5.0784 1.4956   1.4518  0.8866   2.3153  1.8902   1.8637  13.983  5.9709 15.100  5.7241 -1.116505      8.271414 
1 1 1 25 7  39 o 10.054  4.4612 -0.1530  1.4019  -0.4730  2.0769  0.1148   1.9001  11.577  5.2580 11.912  5.2440 -0.3344336     7.426054 
1 1 1 25 7  40 f 25.219  3.5910 5.4531   1.3796  7.1384   1.9952  3.9090   1.9098  28.131  4.6893 20.014  5.7700 8.116529       7.435207 
1 1 1 25 7  41 o 15.536  5.0331 2.2133   1.3999  3.2819   1.9666  1.1156   1.9932  18.295  5.9678 13.673  5.6700 4.622418       8.231889 
1 1 1 25 7  42 o 48.947  2.2494 19.380   1.7260  19.588   2.3359  19.130   2.5617  48.467  3.0905 47.536  3.4613 0.9303169      4.640191 
1 1 1 25 7  43 o 15.695  5.0227 2.2862   1.3974  1.3144   1.8819  3.4803   2.0862  13.778  5.5884 18.616  6.1502 -4.837533      8.309917 
1 1 1 25 7  44 o 41.522  2.6809 14.216   1.7358  13.817   2.4463  14.620   2.4633  39.791  3.9749 41.041  3.8745 -1.249260      5.550758 
1 1 1 25 7  45 o 11.748  4.8092 0.7952   1.4097  0.7267   1.8825  0.8826   2.1269  12.638  5.3900 13.350  5.7122 -0.7115355     7.853735 
1 1 1 25 7  46 o 41.541  2.4685 14.171   1.6003  15.156   2.2717  13.200   2.2548  42.047  3.4775 38.973  3.7364 3.074760       5.104263 
1 1 1 25 7  47 o 21.679  4.3185 4.3067   1.4161  4.1879   2.0399  4.4173   1.9674  20.026  6.0144 20.753  5.8147 -0.7267857     8.365615 
1 1 1 25 7  48 o 9.5929  4.3016 -0.1775  1.3396  -0.6325  1.8652  0.3073   1.9254  10.504  4.8491 11.877  5.2513 -1.373085      7.147724 
1 1 1 25 7  49 o 24.048  3.9701 5.2280   1.4445  4.5914   2.0280  5.8835   2.0579  20.768  5.9335 24.052  5.5678 -3.284065      8.136746 
1 1 1 25 7  50 o 14.743  5.1111 2.1351   1.4418  1.5177   1.9019  2.9693   2.2107  13.604  5.5794 16.537  6.2426 -2.933210      8.372556 
1 1 1 25 8  0  o 27.919  4.7714 6.7461   1.9052  6.7461   1.9052  6.7461   1.9052  27.919  4.7714 27.919  4.7714 0.000000       0.000000 
1 1 1 25 8  1  o 51.717  1.9492 21.192   1.5803  21.713   2.4021  20.795   2.0983  51.907  2.9643 50.940  2.6366 0.9671707      3.967214 
1 1 1 25 8  2  o 51.044  1.8260 20.617   1.4611  22.680   2.1279  18.777   2.0098  53.299  2.5467 48.389  2.6597 4.910454       3.682366 
1 1 1 25 8  3  o 42.725  2.0373 14.479   1.3645  16.488   1.9846  12.677   1.8792  45.274  2.8101 39.582  3.0521 5.691929       4.148735 
1 1 1 25 8  4  o 34.929  2.4340 9.7707   1.3245  10.519   1.8564  8.9950   1.8902  35.923  3.3345 33.044  3.7132 2.879456       4.990670 
1 1 1 25 8  5  o 8.7739  3.9840 -0.6038  1.1915  -2.8518  1.6397  1.9114   1.7344  8.0754  3.9430 15.674  5.5915 -7.598307      6.841958 
1 1 1 25 8  6  o 52.670  1.8173 21.954   1.5006  20.920   2.1111  23.010   2.1333  51.078  2.6455 53.680  2.5351 -2.601536      3.664032 
1 1 1 25 8  7  o 14.528  4.6846 1.7416   1.2138  1.9197   1.7417  1.5736   1.6925  15.693  5.6028 14.780  5.4855 0.9126577      7.841019 
1 1 1 25 8  8  o 48.215  1.8942 18.417   1.4317  18.913   2.0316  17.927   2.0179  48.535  2.6806 47.226  2.7374 1.309132       3.831317 
1 1 1 25 8  9  o 27.118  2.8803 5.9693   1.2057  5.9623   1.6403  5.9775   1.7784  26.673  4.0503 26.547  4.4293 0.1259747      6.001938 
1 1 1 25 8  10 o 36.145  2.4231 10.468   1.3650  10.267   1.9693  10.654   1.8939  35.336  3.6054 36.099  3.3861 -0.7625771     4.946196 
1 1 1 25 8  11 f 47.568  2.0026 17.957   1.4933  15.018   2.0815  21.073   2.1436  43.031  3.1065 51.218  2.6791 -8.186302      4.102206 
1 1 1 25 8  12 o 36.828  2.5138 10.890   1.4427  10.456   2.1831  11.227   1.9222  35.451  3.9980 37.063  3.3443 -1.612457      5.212326 
1 1 1 25 8  13 o 27.045  3.1266 5.9832   1.3012  4.4380   1.8397  7.5300   1.8406  22.399  5.3184 30.006  4.0134 -7.607376      6.662795 
1 1 1 25 8  14 o 35.172  2.5162 9.9445   1.3783  13.234   2.1274  7.5655   1.8093  40.206  3.4073 30.104  3.9273 10.10198       5.199396 
1 1 1 25 8  15 o 20.265  4.2759 3.5258   1.3157  4.1802   1.9140  2.9395   1.8117  21.592  5.6053 18.272  5.7030 3.319326       7.996423 
1 1 1 25 8  16 o 15.105  4.8219 1.9260   1.2885  3.8051   1.9018  0.3315   1.7519  20.564  5.7010 12.288  5.2190 8.275945       7.729148 
1 1 1 25 8  17 o 49.136  2.0500 19.202   1.5791  20.076   2.2646  18.375   2.2031  49.798  2.9135 47.608  2.9666 2.190525       4.158054 
1 1 1 25 8  18 o 39.559  2.3902 12.560   1.4753  13.083   2.0987  12.048   2.0744  39.920  3.3854 38.238  3.4994 1.682121       4.868995 
1 1 1 25 8  19 o 12.384  4.7565 0.9856   1.2975  -0.3344  1.8084  2.3859   1.8626  11.358  5.0520 16.787  5.8099 -5.429088      7.699208 
1 1 1 25 8  20 o 27.860  3.1241 6.3770   1.3410  5.8781   1.8339  6.9503   1.9657  26.030  4.6655 28.406  4.5691 -2.376251      6.530232 
1 1 1 25 8  21 o 40.793  2.3268 13.358   1.4818  14.618   2.1073  12.126   2.0841  42.243  3.2061 38.288  3.5113 3.954861       4.754791 
1 1 1 25 8  22 o 39.888  2.3496 12.788   1.4627  14.552   2.1152  11.171   2.0249  42.109  3.2288 36.682  3.5664 5.427536       4.810884 
1 1 1 25 8  23 o 12.779  4.7856 1.1643   1.2939  2.1351   1.8682  0.2694   1.7936  16.067  5.7953 12.176  5.2287 3.890725       7.805451 
1 1 1 25 8  24 o 33.537  3.3312 9.3106   1.7282  9.5503   2.2029  8.9271   2.7868  33.397  4.3081 31.165  5.9205 2.231985       7.321966 
1 1 1 25 8  25 o 15.978  5.2911 2.2313   1.5437  2.5305   2.0188  1.8098   2.3956  17.033  6.0372 15.996  6.3677 1.036802       8.774702 
1 1 1 25 8  26 o 12.653  5.1392 0.8501   1.5940  -0.0527  2.0663  2.1770   2.5051  12.336  5.4477 16.729  6.5581 -4.393167      8.525566 
1 1 1 25 8  27 o 22.282  4.8660 4.4587   1.6521  4.4503   2.1053  4.4722   2.6656  21.638  5.9982 21.257  6.9486 0.3805676      9.179374 
1 1 1 25 8  28 o 31.861  3.0452 8.3846   1.5025  9.9408   2.1182  6.8087   2.1316  34.087  4.0427 27.439  5.1444 6.648188       6.542771 
1 1 1 25 8  29 o 10.032  4.4473 -0.1932  1.3901  0.0685   1.9533  -0.4617  1.9786  12.123  5.3274 11.463  5.1762 0.6598167      7.427959 
1 1 1 25 8  30 o 14.920  4.9657 1.9540   1.3591  2.8977   1.8036  0.7143   2.0672  17.629  5.7132 13.347  5.6692 4.281898       8.048607 
1 1 1 25 8  31 o 16.273  4.9326 2.4074   1.3674  1.1944   1.7991  4.0666   2.1042  13.630  5.4864 20.423  6.1028 -6.792384      8.206395 
1 1 1 25 8  32 o 34.484  2.9435 9.8314   1.5760  9.4888   1.9804  10.423   2.6024  33.262  3.8704 33.919  5.0480 -0.6563187     6.361012 
1 1 1 25 8  33 o 41.704  2.6734 14.243   1.7386  14.689   2.1118  13.304   3.0631  41.943  3.2367 38.083  5.2721 3.860073       6.186359 
1 1 1 25 8  34 o 12.652  5.2858 0.7800   1.7507  0.2097   1.9674  2.9493   3.8372  12.222  5.3593 18.409  7.7661 -6.187016      9.435843 
1 1 1 25 8  35 o 15.415  5.2726 2.1514   1.5322  2.2696   1.8506  1.8938   2.7321  15.876  5.7616 16.008  6.6384 -0.1320877     8.790056 
1 1 1 25 8  36 o 38.715  3.0629 12.492   1.8437  11.079   2.2448  15.420   3.2322  35.638  4.0922 40.965  5.1466 -5.327553      6.575220 
1 1 1 25 8  37 o 11.016  4.6979 0.3640   1.4300  0.7231   1.7999  -0.2507  2.3548  12.585  5.3145 12.436  5.6283 0.1490049      7.740946 
1 1 1 25 8  38 o 33.281  2.9748 9.2353   1.5357  8.9410   2.0693  9.5962   2.2912  31.788  4.2595 32.645  4.6050 -0.8571472     6.272889 
1 1 1 25 8  39 f 28.530  3.2255 6.8828   1.4173  7.0991   2.0068  6.6676   2.0018  27.858  4.7666 26.843  4.9391 1.014671       6.864051 
1 1 1 25 8  40 o 34.871  2.8559 10.110   1.5475  12.388   2.1981  7.8723   2.1791  37.864  3.7526 29.160  4.9434 8.703466       6.206346 
1 1 1 25 8  41 o 16.144  5.0762 2.4684   1.4323  2.4087   1.9269  2.5421   2.1413  15.995  5.8678 16.364  6.1509 -0.3692303     8.500864 
1 1 1 25 8  42 o 27.781  3.5823 6.6835   1.5238  6.8711   2.0309  6.4420   2.3048  27.063  4.9702 25.302  5.9163 1.760742       7.726943 
1 1 1 25 8  43 o 32.920  3.3096 9.2605   1.6849  8.9090   2.4396  9.5812   2.3298  30.458  5.3020 32.155  4.7660 -1.696888      7.129199 
1 1 1 25 8  44 o 8.2729  3.9529 -1.4686  1.4413  -2.4199  1.9872  -0.4130  2.0934  9.1533  4.4401 11.367  5.2067 -2.213425      6.842849 
1 1 1 25 8  45 f 14.019  5.3678 1.7447   1.6491  2.3886   2.5069  1.2535   2.1896  15.834  6.4397 13.725  5.8321 2.109722       8.688116 
1 1 1 25 8  46 o 21.239  5.0778 4.4548   1.6678  5.5047   2.5457  3.6654   2.2075  21.788  6.7538 18.184  6.3232 3.604095       9.251839 
1 1 1 25 8  47 o 17.592  5.6903 3.2953   1.7899  5.0523   2.9277  2.2465   2.2618  19.902  7.2431 15.162  6.1346 4.740071       9.491888 
1 1 1 25 9  0  o 14.423  7.3344 2.5737   2.0786  2.5737   2.0786  2.5737   2.0786  14.423  7.3344 14.423  7.3344 0.000000       0.000000 
1 1 1 25 9  1  f 25.059  3.8045 5.2721   1.4476  6.5400   2.1999  4.3039   1.9224  27.173  5.3548 21.847  5.5901 5.325211       7.741007 
1 1 1 25 9  2  o 36.895  2.6247 10.983   1.5082  10.688   2.2663  11.217   2.0206  35.665  4.1299 36.868  3.5396 -1.202961      5.439162 
1 1 1 25 9  3  o 36.426  2.5352 10.687   1.4387  11.063   2.0679  10.335   2.0029  36.547  3.6584 35.307  3.6723 1.240150       5.183593 
1 1 1 25 9  4  o 14.810  4.9731 1.8170   1.3629  0.3520   1.8291  3.6454   2.0434  12.507  5.3229 20.027  6.0207 -7.520283      8.036265 
1 1 1 25 9  5  f 28.268  3.2196 6.5714   1.4013  5.4321   1.9570  7.7703   2.0075  24.766  5.2058 30.216  4.3645 -5.449976      6.793303 
1 1 1 25 9  6  o 38.711  2.4430 12.046   1.4749  11.015   2.0654  13.118   2.1069  36.449  3.6643 39.952  3.3961 -3.503849      4.996087 
1 1 1 25 9  7  o 17.601  4.8292 2.7247   1.3727  3.2300   1.8931  2.1645   1.9934  18.947  5.8160 16.398  5.9754 2.549274       8.338529 
1 1 1 25 9  8  o 16.509  4.8751 2.3816   1.3488  1.3862   1.8158  3.6070   2.0148  14.419  5.6025 19.894  5.9778 -5.475113      8.192857 
1 1 1 25 9  9  o 23.149  4.0143 4.5588   1.4040  3.4560   1.8720  5.9768   2.1227  19.528  5.7366 25.851  5.4116 -6.322760      7.886307 
1 1 1 25 9  10 o 46.189  2.2135 17.035   1.6027  16.722   2.1830  17.401   2.3606  45.274  3.0943 46.072  3.2901 -0.7978783     4.516513 
1 1 1 25 9  11 o 20.437  4.6947 3.6735   1.4725  6.0001   2.1900  1.7540   1.9892  25.769  5.5827 15.452  5.9003 10.31672       8.122775 
1 1 1 25 9  12 o 9.0474  4.1319 -0.6805  1.3052  0.8746   1.7438  -2.6620  1.9684  13.176  5.3661 9.2948  4.4870 3.881330       6.994876 
1 1 1 25 9  13 o 56.803  1.9749 25.686   1.7586  27.821   2.4537  23.432   2.5219  58.747  2.6643 53.634  3.0116 5.113358       4.020912 
1 1 1 25 9  14 o 44.239  2.3149 15.715   1.5999  15.417   2.1934  16.055   2.3387  43.316  3.2538 44.111  3.4085 -0.7944717     4.712235 
1 1 1 25 9  15 o 11.236  4.6639 0.4586   1.3504  -0.5296  1.8276  1.6470   2.0042  11.071  4.9894 15.178  5.8891 -4.106697      7.718535 
1 1 1 25 9  16 o 16.722  5.3763 2.4762   1.5996  0.4402   2.0430  5.7016   2.5714  13.073  5.5961 24.352  6.5798 -11.27945      8.637733 
1 1 1 25 9  17 o 13.049  5.1384 1.0686   1.5443  1.8224   2.0073  -0.0247  2.4175  15.491  5.9242 13.286  5.8786 2.204747       8.345911 
1 1 1 25 9  18 o 12.139  5.0725 0.5565   1.6127  2.8628   2.1315  -2.5315  2.4665  17.841  6.2129 10.827  5.1727 7.014488       8.084365 
1 1 1 25 9  19 o 29.624  4.0682 7.5038   1.8394  4.8247   2.3744  11.525   2.9088  22.349  6.4309 35.831  5.3418 -13.48163      8.360149 
1 1 1 25 9  20 o 10.615  4.6096 0.0520   1.4252  0.6971   2.0053  -0.6065  2.0259  13.302  5.6131 11.471  5.2035 1.831018       7.653983 
1 1 1 25 9  21 o 38.654  2.6515 12.162   1.5970  13.639   2.2673  10.707   2.2497  40.315  3.6263 35.338  4.1394 4.976265       5.503192 
1 1 1 25 9  22 o 63.451  2.0571 32.224   2.0462  32.727   2.7533  31.604   3.0582  63.412  2.7696 61.902  3.1620 1.510204       4.203447 
1 1 1 25 9  23 o 10.382  4.4898 0.1010   1.3410  0.5650   1.7794  -0.5089  2.0403  12.469  5.2759 11.566  5.2363 0.9036522      7.433367 
1 1 1 25 9  24 o 32.552  3.0646 8.7822   1.5455  8.1547   2.0110  9.6876   2.4157  30.576  4.3153 32.977  4.8146 -2.401114      6.465504 
1 1 1 25 9  25 o 23.382  4.0816 4.7707   1.4417  4.4168   1.8448  5.3258   2.3107  21.676  5.4380 23.295  6.2131 -1.618633      8.256760 
1 1 1 25 9  26 o 12.463  4.9369 1.0018   1.4334  -1.1377  1.8221  4.4749   2.3216  10.116  4.7120 21.155  6.4305 -11.03859      7.972050 
1 1 1 25 9  27 o 11.354  4.6907 0.5962   1.3568  2.7167   1.8372  -1.9475  2.0122  17.042  5.7738 9.8586  4.6995 7.183111       7.444626 
1 1 1 25 9  28 o 39.358  2.5313 12.643   1.5535  11.435   2.0291  14.354   2.4150  36.715  3.5705 40.961  3.8044 -4.245640      5.217499 
1 1 1 25 9  29 o 10.477  4.5169 0.1880   1.3489  -1.1537  1.7841  1.9782   2.0609  9.9288  4.6373 15.434  5.9764 -5.504979      7.564563 
1 1 1 25 9  30 o 21.248  4.2954 4.0409   1.3816  4.3222   1.8282  3.6662   2.1098  21.234  5.4611 19.176  6.1753 2.058159       8.243696 
1 1 1 25 9  31 o 13.791  5.1313 1.5651   1.4828  3.4974   2.0663  -0.4865  2.1292  18.746  6.1173 11.634  5.2991 7.112146       8.093312 
1 1 1 25 9  32 o 28.441  3.3988 6.8815   1.4854  6.9799   1.9703  6.7519   2.2608  27.712  4.7035 26.485  5.6191 1.226521       7.327842 
1 1 1 25 9  33 o 61.260  2.0661 30.233   1.9842  29.867   2.7245  30.647   2.8954  60.114  2.8910 60.650  3.0551 -0.5360374     4.206173 
1 1 1 25 9  34 o 9.2401  4.3037 -0.9509  1.5198  1.1004   2.2039  -2.8109  2.0986  13.901  5.8761 9.2996  4.5229 4.601201       7.415246 
1 1 1 25 9  35 o 9.8933  4.4303 -0.2271  1.4158  1.0560   1.9655  -1.6106  2.0410  13.397  5.5992 10.129  4.8010 3.267636       7.375650 
1 1 1 25 9  36 o 9.3981  4.3350 -0.7198  1.4864  -1.7174  1.8767  0.9597   2.4350  9.5320  4.5424 13.997  6.0516 -4.464534      7.566721 
1 1 1 25 9  37 o 17.158  5.1065 2.8246   1.4754  5.7369   2.0105  -0.5743  2.1720  24.331  5.4109 11.499  5.2806 12.83233       7.560598 
1 1 1 25 9  38 o 10.300  4.5516 0.0034   1.4445  0.4214   1.9222  -0.5389  2.1894  12.182  5.3207 11.542  5.3010 0.6393585      7.510658 
1 1 1 25 9  39 o 11.934  4.9290 0.8297   1.4976  0.4619   2.0145  1.2842   2.2391  12.390  5.4284 14.019  5.9242 -1.628131      8.035176 
1 1 1 25 9  40 o 8.1144  3.9222 -1.8964  1.5162  -2.9458  2.0854  -0.7195  2.2083  9.0427  4.4220 11.296  5.2362 -2.253468      6.853637 
1 1 1 25 9  41 o 14.019  5.2052 1.7792   1.5242  3.3830   2.1552  0.1743   2.1559  17.780  6.2441 12.160  5.4547 5.620077       8.291145 
1 1 1 25 9  42 o 13.017  5.3234 1.2580   1.7250  3.1746   2.4104  -0.7543  2.4698  17.103  6.5034 11.695  5.4603 5.407299       8.491755 
1 1 1 25 9  43 o 30.024  3.8326 8.0786   1.7628  10.461   2.3524  5.0279   2.6622  33.305  4.6308 20.380  6.9500 12.92491       8.351449 
1 1 1 25 9  44 o 13.602  5.3650 1.6584   1.6861  2.0407   2.1758  1.0839   2.6674  14.681  5.9882 13.754  6.1257 0.9261675      8.566401 
1 1 1 25 10 0  o 21.048  6.5150 4.5270   1.8820  4.5270   1.8820  4.5270   1.8820  21.048  6.5150 21.048  6.5150 0.000000       0.000000 
1 1 1 25 10 1  o 29.320  3.2153 7.1226   1.4537  7.2010   2.0631  7.0453   2.0486  28.614  4.7670 28.281  4.7918 0.3328667      6.759151 
1 1 1 25 10 2  f 37.881  2.6196 11.645   1.5461  12.136   2.0975  11.061   2.2878  38.146  3.5483 36.030  4.1247 2.115673       5.440932 
1 1 1 25 10 3  o 65.832  1.9038 34.527   1.9648  35.535   2.6636  33.323   2.9101  66.355  2.5606 63.996  2.9007 2.358845       3.869155 
1 1 1 25 10 4  o 15.032  4.9907 1.9459   1.3731  2.5304   1.8417  1.2143   2.0602  16.893  5.7806 14.352  5.8375 2.540689       8.215320 
1 1 1 25 10 5  o 35.816  2.7300 10.451   1.5213  10.568   2.0662  10.313   2.2483  35.420  3.7794 34.696  4.2205 0.7241135      5.665348 
1 1 1 25 10 6  o 45.246  2.4730 16.544   1.7475  16.327   2.2378  16.883   2.7975  44.481  3.2312 44.617  4.0436 -0.1361084     5.176017 
1 1 1 25 10 7  o 14.511  5.2778 1.6951   1.5541  3.1596   1.8616  -1.6724  2.8229  18.479  5.7833 12.431  5.8147 6.048795       8.201050 
1 1 1 25 10 8  o 24.097  4.9436 5.2079   1.8048  6.6258   2.1055  1.2792   3.5048  27.129  5.1388 16.717  7.2441 10.41172       8.881679 
1 1 1 25 10 9  o 10.494  4.7528 -0.5589  1.6826  0.5586   2.0810  -2.6684  2.8593  13.242  5.6577 11.681  5.5776 1.560746       7.944783 
1 1 1 25 10 10 o 11.908  5.3266 -0.2869  2.0408  -3.3398  2.5881  4.7315   3.3182  10.495  5.0853 21.524  7.7282 -11.02878      9.251192 
1 1 1 25 10 11 o 36.455  3.4778 11.114   1.9634  12.471   2.5485  9.1325   3.0796  37.982  4.3591 30.654  6.6034 7.327463       7.912457 
1 1 1 25 10 12 o 39.895  2.7983 13.017   1.7390  10.528   2.2863  16.435   2.6788  34.914  4.2658 44.000  3.9248 -9.085350      5.796656 
1 1 1 25 10 13 o 55.536  2.2518 24.796   1.9604  27.673   2.6641  21.397   2.8953  58.100  2.9344 50.434  3.6875 7.666103       4.712621 
1 1 1 25 10 14 o 39.937  2.8076 13.065   1.7466  12.282   2.2950  14.143   2.6924  37.962  3.9124 40.419  4.3158 -2.456844      5.825256 
1 1 1 25 10 15 o 25.863  4.1202 5.8101   1.6145  6.9735   2.1894  4.4237   2.3902  27.600  5.2519 21.104  6.5446 6.495998       8.391341 
1 1 1 25 10 16 o 28.382  3.3455 6.7653   1.4599  5.1709   1.9592  8.7559   2.1891  23.533  5.4221 31.496  4.5667 -7.962957      7.089052 
1 1 1 25 10 17 o 21.395  4.4675 4.0889   1.4500  6.0285   2.0369  2.0958   2.0648  25.550  5.2605 15.826  6.0189 9.724070       7.993726 
1 1 1 25 10 18 o 30.101  3.2118 7.5786   1.4922  6.3080   2.0529  9.0019   2.1729  26.174  5.1865 31.964  4.4576 -5.789919      6.838901 
1 1 1 25 10 19 o 35.742  2.9317 10.561   1.6282  9.8019   2.3542  11.257   2.2544  33.179  4.6542 36.087  4.0552 -2.907806      6.173011 
1 1 1 25 10 20 o 26.083  3.8335 5.8739   1.5207  5.4513   2.0676  6.3719   2.2444  23.908  5.6126 25.843  5.6936 -1.934973      7.994955 
1 1 1 25 10 21 f 19.416  4.9514 3.4993   1.5118  3.2569   2.0936  3.7634   2.1853  18.277  6.1636 19.439  6.2876 -1.161352      8.804771 
1 1 1 25 10 22 o 50.703  2.2892 20.788   1.8196  21.514   2.5429  20.026   2.6048  50.752  3.2127 48.750  3.4302 2.001621       4.699764 
1 1 1 25 10 23 o 24.148  4.0510 5.1247   1.4793  3.6018   2.0607  6.7436   2.1247  19.049  6.0999 26.879  5.2306 -7.830639      8.035423 
1 1 1 25 10 24 o 14.353  5.0925 1.7975   1.4368  3.0251   1.9519  0.3455   2.1228  17.643  5.9513 12.702  5.5684 4.941605       8.150152 
1 1 1 25 10 25 o 40.488  2.6747 13.486   1.6881  15.715   2.3862  11.251   2.3886  42.945  3.5769 35.612  4.3702 7.333233       5.647345 
1 1 1 25 10 26 o 36.398  2.9070 11.012   1.6449  11.125   2.2941  10.893   2.3597  35.529  4.2002 34.970  4.4020 0.5591278      6.084300 
1 1 1 25 10 27 o 18.892  4.9239 3.3588   1.4731  4.0947   1.9800  2.4464   2.2046  20.233  5.8872 16.304  6.2150 3.928682       8.560656 
1 1 1 25 10 28 o 11.882  4.8936 0.7757   1.4707  0.3009   2.1043  1.2291   2.0562  12.505  5.5114 13.853  5.7530 -1.347784      7.966964 
1 1 1 25 10 29 o 19.460  5.0428 3.6033   1.5510  4.4226   2.1041  2.6284   2.2951  20.822  6.0718 16.639  6.3416 4.182863       8.779686 
1 1 1 25 10 30 o 12.790  5.0541 1.1835   1.4989  1.4810   2.0971  0.8729   2.1431  14.299  5.8610 13.373  5.7284 0.9259777      8.195469 
1 1 1 25 10 31 o 17.221  5.2544 2.8657   1.5479  2.1121   2.1554  3.6683   2.2245  15.491  6.0799 18.780  6.3533 -3.289553      8.793743 
1 1 1 25 10 32 o 35.349  2.9786 10.478   1.6352  8.6055   2.2244  12.679   2.4122  30.501  4.8116 37.818  4.1362 -7.317001      6.345077 
1 1 1 25 10 33 o 30.537  3.5248 8.0498   1.6564  7.7611   2.3713  8.3250   2.3147  28.178  5.5656 29.599  5.1768 -1.421503      7.601028 
1 1 1 25 10 34 o 30.666  3.3077 8.0466   1.5650  10.060   2.1009  5.5370   2.3456  33.635  4.0670 22.849  6.3304 10.78626       7.524241 
1 1 1 25 10 35 o 24.953  4.1069 5.6061   1.5506  6.0054   1.9860  4.9827   2.4818  24.854  5.2611 21.173  6.6851 3.681871       8.507021 
1 1 1 25 10 36 o 10.633  4.5939 0.3138   1.4010  -0.4842  1.7894  1.5778   2.2520  10.492  4.8089 14.372  5.9989 -3.879874      7.688462 
1 1 1 25 10 37 f 13.242  5.0369 1.5043   1.4461  -1.6096  1.8843  5.9670   2.2557  9.5019  4.5345 23.797  6.0371 -14.29529      7.550378 
1 1 1 25 10 38 o 14.833  5.1804 2.1340   1.4825  3.7148   1.9753  0.0954   2.2432  18.589  5.9742 12.135  5.4928 6.453340       8.115522 
1 1 1 25 10 39 o 13.454  5.0919 1.6318   1.4732  2.0071   1.9038  1.0715   2.3260  14.579  5.7166 13.441  5.8622 1.138300       8.188087 
1 1 1 25 10 40 o 20.125  4.8095 3.9871   1.4967  4.7882   1.9980  2.9628   2.2592  21.037  5.8475 16.403  6.2822 4.634459       8.582479 
1 1 1 25 10 41 o 15.185  5.2725 2.3706   1.5346  0.9068   2.1186  3.9864   2.2258  12.708  5.5673 18.404  6.3522 -5.695517      8.446643 
1 1 1 25 11 0  o 33.641  8.1534 11.212   3.7269  11.212   3.7269  11.212   3.7269  33.641  8.1534 33.641  8.1534 0.000000       0.000000 
1 1 1 25 11 1  o 36.481  5.2604 12.195   2.9215  8.2344   4.9721  14.283   3.6105  25.226  9.3942 38.513  6.1898 -13.28719      11.25003 
1 1 1 25 11 2  f 22.331  7.2081 5.2831   2.8731  0.0000   0.0000  5.2831   2.8731  ?       ?      22.331  7.2081 0.000000       7.208064 
1 1 1 25 11 3  o 21.890  6.0286 4.7000   2.1346  -0.0730  4.8623  5.8395   2.3757  16.685  7.7469 24.314  6.2105 -7.628620      9.928969 
1 1 1 25 11 4  o 26.859  4.5447 6.4345   1.8454  7.0340   3.5960  6.2202   2.1501  24.857  8.0681 25.696  5.5033 -0.8387623     9.766282 
1 1 1 25 11 5  o 54.326  2.3823 23.890   2.0289  25.060   3.1479  23.059   2.6536  54.322  3.7189 52.595  3.2341 1.727028       4.928449 
1 1 1 25 11 6  o 32.532  3.5104 8.9666   1.7619  6.2062   2.6683  11.101   2.3461  24.591  6.7270 35.608  4.2893 -11.01678      7.978149 
1 1 1 25 11 7  o 60.029  2.2541 29.083   2.1212  26.008   3.1939  31.510   2.8373  55.335  3.7033 61.877  2.9250 -6.542305      4.719128 
1 1 1 25 11 8  o 36.504  2.9245 11.029   1.6595  10.532   2.3468  11.526   2.3471  34.526  4.4386 36.344  4.1967 -1.817631      6.108444 
1 1 1 25 11 9  o 14.094  5.1090 1.6730   1.4545  2.2559   2.0947  1.1303   2.0213  16.045  6.0719 13.803  5.7158 2.241983       8.338988 
1 1 1 25 11 10 o 11.310  4.7907 0.4400   1.4697  -1.8050  2.0829  2.6657   2.0739  10.163  4.8265 16.893  6.1041 -6.730111      7.781703 
1 1 1 25 11 11 o 29.350  3.3713 7.2891   1.5230  6.1187   2.1182  8.5415   2.1913  25.397  5.4811 30.817  4.6831 -5.420422      7.209313 
1 1 1 25 11 12 o 51.608  2.2947 21.550   1.8565  22.611   2.6378  20.509   2.6133  51.966  3.2543 49.342  3.3992 2.624668       4.705861 
1 1 1 25 11 13 o 19.927  4.9324 3.7011   1.5326  2.4242   2.1463  5.0294   2.1891  16.349  6.1556 22.450  6.0731 -6.100874      8.647202 
1 1 1 25 11 14 o 72.916  2.0425 42.767   2.3347  42.891   3.5145  42.669   3.1235  71.808  3.1221 72.071  2.7646 -0.2634888     4.170171 
1 1 1 25 11 15 o 20.990  4.6532 4.0410   1.4910  6.1006   2.1034  1.9612   2.1137  25.278  5.4671 15.354  6.0227 9.923442       8.133980 
1 1 1 25 11 16 o 17.701  5.0637 2.9599   1.4761  4.2484   2.0668  1.6183   2.1089  20.569  6.0235 14.686  5.9300 5.883189       8.452627 
1 1 1 25 11 17 o 42.279  2.5820 14.667   1.7031  10.492   2.2977  19.759   2.5373  34.341  4.3667 48.358  3.3680 -14.01676      5.514700 
1 1 1 25 11 18 o 8.2880  3.9599 -1.5525  1.4458  -1.0877  2.0638  -2.0004  2.0261  10.733  5.0045 9.7461  4.6650 0.9870977      6.841582 
1 1 1 25 11 19 o 38.479  2.7795 12.259   1.6653  16.878   2.4344  8.1970   2.2832  44.487  3.5194 29.638  5.0978 14.84848       6.194652 
1 1 1 25 11 20 o 9.3151  4.2661 -0.5830  1.4044  -0.0918  1.8799  -1.2034  2.1127  11.423  5.1108 10.718  5.0190 0.7046213      7.163152 
1 1 1 25 11 21 o 22.230  4.3672 4.4825   1.4676  3.8586   1.9607  5.2775   2.2132  19.552  5.9021 22.760  6.0852 -3.208103      8.477295 
1 1 1 25 11 22 o 11.803  4.8450 0.7937   1.4357  -0.8460  1.8865  3.0503   2.2130  10.462  4.8460 17.433  6.3046 -6.971539      7.951842 
1 1 1 25 11 23 o 16.990  5.0719 2.7617   1.4539  2.7292   1.9305  2.8044   2.2099  16.702  5.9055 16.890  6.2682 -0.1877728     8.611893 
1 1 1 25 11 24 f 12.166  4.9550 0.9248   1.4869  1.5095   2.0119  0.2211   2.2072  14.183  5.7686 12.527  5.5761 1.656032       8.023106 
1 1 1 25 11 25 o 13.300  5.1247 1.4201   1.5094  2.8324   1.9195  -0.8682  2.4434  16.897  5.8952 11.780  5.4767 5.116674       8.046616 
1 1 1 25 11 26 o 24.204  4.0561 5.2336   1.4846  4.7444   2.0083  5.8229   2.2044  21.649  5.8003 23.972  5.9046 -2.323645      8.276928 
1 1 1 25 11 27 o 36.407  2.8968 11.096   1.6396  10.734   2.2212  11.530   2.4306  34.670  4.1704 35.657  4.4446 -0.9878502     6.094827 
1 1 1 25 11 28 o 38.825  2.7462 12.544   1.6607  12.931   2.2219  12.056   2.4997  38.508  3.7273 36.392  4.4758 2.115150       5.824554 
1 1 1 25 11 29 o 32.724  3.4026 9.2187   1.7200  10.779   2.2356  6.9550   2.6924  34.631  4.2042 25.208  6.6988 9.422438       7.908810 
1 1 1 25 11 30 o 34.521  2.9973 10.067   1.6060  9.6838   2.1771  10.525   2.3786  32.599  4.3701 33.734  4.6190 -1.135361      6.358740 
1 1 1 25 11 31 o 34.072  3.1997 9.9251   1.6891  9.8774   2.3678  9.9746   2.4102  32.411  4.8058 32.487  4.8836 -0.7664108E-01 6.851617 
1 1 1 25 11 32 o 9.9231  4.4561 -0.1519  1.4431  -0.9121  1.8771  0.9468   2.2567  10.176  4.7542 13.324  5.7932 -3.147273      7.494218 
1 1 1 25 11 33 o 13.632  5.0766 1.6839   1.4520  4.0376   1.9574  -1.1959  2.1651  19.435  5.9039 10.580  4.9938 8.854092       7.732654 
1 1 1 25 11 34 o 10.413  4.6064 0.1259   1.4835  1.0211   1.9976  -0.9748  2.2151  12.912  5.5306 10.860  5.1024 2.052292       7.524784 
1 1 1 25 11 35 o 24.144  4.3501 5.4679   1.5860  3.6848   2.0226  8.3142   2.5554  18.216  6.0576 27.920  6.0159 -9.703861      8.537303 
1 1 1 25 11 36 o 32.749  3.2228 9.3274   1.6331  10.043   2.1626  8.3774   2.4913  32.785  4.3123 28.105  5.8450 4.680161       7.263595 
1 1 1 25 11 37 o 15.174  5.2463 2.3818   1.5186  2.3552   2.0394  2.4150   2.2751  15.012  5.9070 15.158  6.1456 -0.1459169     8.524158 
1 1 1 25 11 38 o 22.699  4.6148 5.0612   1.5862  4.8292   2.1786  5.3230   2.3140  20.193  6.2460 21.013  6.4268 -0.8192463     8.961940 
1 1 1 25 12 0  o 31.999  5.7568 9.3023   2.6099  9.3023   2.6099  9.3023   2.6099  31.999  5.7568 31.999  5.7568 0.000000       0.000000 
1 1 1 25 12 1  o 22.487  4.5326 4.6269   1.5427  5.8305   2.1631  3.3813   2.2007  24.282  5.7682 18.212  6.3145 6.069960       8.552459 
1 1 1 25 12 2  o 8.4595  4.0178 -1.3713  1.4436  -2.4416  1.9947  -0.1942  2.0919  9.2593  4.4812 11.799  5.3256 -2.539442      6.960087 
1 1 1 25 12 3  o 18.312  5.2369 3.2350   1.5790  2.7806   2.1669  3.7495   2.3058  16.895  6.2187 18.974  6.4681 -2.078325      8.972680 
1 1 1 25 12 4  o 23.072  4.8058 4.9510   1.6818  2.9485   2.4524  6.7287   2.3106  17.282  6.5627 26.108  5.7966 -8.826332      8.756079 
1 1 1 25 12 5  o 26.435  3.9933 6.1683   1.6033  7.6330   2.2811  4.7384   2.2538  28.299  5.3377 21.336  6.3022 6.962225       8.258818 
1 1 1 25 12 6  o 16.893  5.1188 2.7262   1.4728  1.0204   1.9928  4.7792   2.1863  13.345  5.6115 21.544  6.1625 -8.198449      8.334620 
1 1 1 25 12 7  o 12.152  4.8729 0.9741   1.4134  1.4696   1.8952  0.3531   2.1216  13.995  5.6319 12.566  5.5362 1.429233       7.897307 
1 1 1 25 12 8  o 9.9930  4.5109 -0.3233  1.5011  -1.6600  1.9224  1.7648   2.4027  9.7105  4.6190 15.129  6.2456 -5.418545      7.768047 
1 1 1 25 12 9  o 20.784  4.8396 4.0616   1.5474  3.9031   1.9391  4.3394   2.5676  19.646  5.8558 19.975  6.8254 -0.3293171     8.993190 
1 1 1 25 12 10 o 16.244  5.4296 2.5379   1.6245  2.8341   1.9790  1.9260   2.8445  16.934  5.9800 15.792  6.6756 1.142473       8.962330 
1 1 1 25 12 11 o 47.526  2.7303 18.700   2.0257  18.463   2.5166  19.135   3.4140  46.465  3.4801 45.590  4.8515 0.8754501      5.970591 
1 1 1 25 12 12 o 9.8899  4.5588 -0.6975  1.6396  -0.1426  2.0275  -1.7463  2.7875  11.652  5.2528 11.752  5.5820 -0.9986115E-01 7.664888 
1 1 1 25 12 13 o 28.791  4.0816 7.3693   1.7906  7.3793   2.1935  7.3495   3.1000  27.819  5.2215 25.336  7.3649 2.483034       9.028053 
1 1 1 25 12 14 o 16.532  5.3668 2.6562   1.5911  3.8848   2.0473  0.7822   2.5285  19.373  6.0652 13.798  6.0625 5.574406       8.575568 
1 1 1 25 12 15 o 9.3835  4.3777 -0.9487  1.5828  -1.2501  2.0929  -0.5460  2.4193  10.538  4.9541 12.033  5.5433 -1.494571      7.434455 
1 1 1 25 12 16 o 32.780  3.3306 9.1852   1.6877  10.390   2.2685  7.6921   2.5258  33.922  4.3673 27.542  6.0182 6.380169       7.435852 
1 1 1 25 12 17 o 19.093  5.5123 3.6418   1.7419  5.2342   2.4648  2.0529   2.4621  21.905  6.6185 15.505  6.3524 6.399918       9.173755 
1 1 1 25 12 18 o 16.502  5.5600 2.6843   1.7036  0.0540   2.2115  6.5227   2.6716  12.241  5.5052 24.387  6.7557 -12.14557      8.714679 
1 1 1 25 12 19 o 20.839  5.0495 4.1907   1.6323  3.3999   2.3097  4.9799   2.3072  17.925  6.4464 21.536  6.3801 -3.610964      9.069836 
1 1 1 25 12 20 o 40.276  2.8175 13.548   1.7677  17.112   2.6089  10.524   2.4036  44.209  3.8014 33.750  4.6678 10.45900       6.019913 
1 1 1 25 12 21 o 27.617  3.9858 6.8043   1.6757  8.1211   2.3823  5.5149   2.3575  28.763  5.4836 22.644  6.3723 6.118578       8.406867 
1 1 1 25 12 22 f 11.002  4.7709 0.3337   1.5224  0.9257   2.0983  -0.3242  2.2123  13.155  5.6524 11.722  5.3633 1.432975       7.791930 
1 1 1 25 12 23 o 43.042  2.7538 15.462   1.8484  18.499   2.6292  12.494   2.5991  46.034  3.6739 36.748  4.6134 9.286007       5.897522 
1 1 1 25 12 24 o 28.582  3.8890 7.2788   1.6973  6.3506   2.4205  8.1769   2.3807  24.323  6.2981 28.730  5.4861 -4.406923      8.352472 
1 1 1 25 12 25 o 40.403  2.8628 13.730   1.8015  12.594   2.4624  15.039   2.6425  37.156  4.3073 40.767  4.1947 -3.611286      6.012356 
1 1 1 25 12 26 o 31.456  3.3411 8.5662   1.6224  6.7087   2.1486  11.030   2.4745  25.858  5.4712 34.209  4.7416 -8.350883      7.239962 
1 1 1 25 12 27 o 12.528  5.0152 1.2055   1.4942  2.1810   1.9822  -0.0786  2.2742  15.038  5.8506 11.967  5.4609 3.071581       8.003181 
1 1 1 25 12 28 o 23.993  4.5532 5.4531   1.6500  5.0703   2.1008  6.0693   2.6656  21.666  5.9865 22.597  6.8953 -0.9313107     9.131437 
1 1 1 25 12 29 o 29.804  3.4391 7.8007   1.5773  8.6310   2.1191  6.7690   2.3620  30.138  4.6336 25.004  6.0838 5.133757       7.647378 
1 1 1 25 12 30 o 14.054  5.2142 1.9049   1.5290  1.0389   2.0427  3.0082   2.3057  12.875  5.5549 16.433  6.3331 -3.556997      8.424088 
1 1 1 25 12 31 o 28.461  3.7488 7.3156   1.6319  7.6165   2.3009  7.0110   2.3149  26.967  5.6248 25.465  5.9123 1.502024       8.160489 
1 1 1 25 12 32 o 16.613  5.3813 2.9458   1.6003  4.9506   2.1852  0.6268   2.3503  20.628  6.2316 12.592  5.6678 8.036284       8.423633 
1 1 1 25 12 33 o 17.656  5.7452 3.5119   1.8230  0.5640   2.2691  8.8791   3.0617  12.305  5.5511 26.329  7.2073 -14.02401      9.097250 
1 1 1 25 13 0  o 24.282  7.0520 6.1369   2.3299  6.1369   2.3299  6.1369   2.3299  24.282  7.0520 24.282  7.0520 0.000000       0.000000 
1 1 1 25 13 1  o 8.9638  4.2218 -1.1248  1.5326  -3.3793  2.1484  1.2115   2.1871  8.9202  4.3877 13.743  5.8340 -4.822854      7.299809 
1 1 1 25 13 2  o 21.432  5.1211 4.4725   1.6971  3.6257   2.2511  5.5875   2.5832  18.355  6.3851 22.293  6.7846 -3.938540      9.316682 
1 1 1 25 13 3  o 20.918  5.1768 4.2863   1.6885  2.7769   2.2724  6.1467   2.5228  16.569  6.3112 23.716  6.5632 -7.146646      9.105329 
1 1 1 25 13 4  f 11.222  4.8438 0.4122   1.5546  -0.7268  2.2000  1.5482   2.1971  11.256  5.2208 14.292  5.9421 -3.036190      7.909757 
1 1 1 25 13 5  o 15.989  5.3606 2.5087   1.5835  3.3630   2.2305  1.6406   2.2484  17.777  6.3410 14.497  6.0177 3.280088       8.741924 
1 1 1 25 13 6  o 11.395  4.8883 0.4995   1.5648  -1.9329  2.2292  2.8626   2.1972  10.189  4.8814 16.721  6.2414 -6.532102      7.923513 
1 1 1 25 13 7  o 13.979  5.2179 1.7446   1.5357  0.4043   2.1235  3.2141   2.2236  12.439  5.5064 17.443  6.3178 -5.004497      8.380610 
1 1 1 25 13 8  o 12.272  5.0458 0.9704   1.5603  0.9090   2.1933  1.0334   2.2201  13.269  5.7402 13.492  5.8060 -0.2232752     8.164517 
1 1 1 25 13 9  o 16.632  5.1298 2.7163   1.4707  2.2090   1.9710  3.3535   2.2091  15.287  5.8647 17.726  6.3119 -2.439184      8.615940 
1 1 1 25 13 10 o 9.6943  4.4010 -0.3459  1.4530  0.3534   1.9818  -1.1588  2.1367  12.062  5.3305 10.634  5.0013 1.427463       7.309388 
1 1 1 25 13 11 o 22.207  4.5140 4.6078   1.5180  4.0993   2.0347  5.2460   2.2795  19.644  6.0296 22.025  6.2899 -2.381750      8.713115 
1 1 1 25 13 12 o 26.219  3.9403 6.1561   1.5695  6.7900   2.1307  5.4042   2.3205  26.244  5.3603 22.291  6.3394 3.952717       8.301868 
1 1 1 25 13 13 f 22.518  4.4521 4.7237   1.5159  4.2272   2.0277  5.3527   2.2825  19.938  5.9983 22.226  6.2755 -2.288696      8.681101 
1 1 1 25 13 14 o 13.194  5.1084 1.4590   1.5055  3.5090   2.0455  -0.9642  2.2239  18.102  6.0924 10.996  5.1492 7.106465       7.976960 
1 1 1 25 13 15 o 36.400  2.9156 11.189   1.6497  11.905   2.2307  10.323   2.4510  36.488  3.9636 32.953  4.8930 3.534676       6.296962 
1 1 1 25 13 16 o 24.780  4.0943 5.5864   1.5350  5.8030   2.0554  5.3135   2.3080  23.868  5.5913 21.957  6.3469 1.911467       8.458460 
1 1 1 25 13 17 o 23.383  4.3050 5.0636   1.5199  5.0583   2.0346  5.0702   2.2863  21.946  5.8192 21.367  6.3560 0.5792332      8.617522 
1 1 1 25 13 18 o 18.565  5.0309 3.4253   1.5006  0.3274   2.0230  7.2158   2.2377  11.979  5.3349 26.717  5.5251 -14.73811      7.680341 
1 1 1 25 13 19 o 8.3299  3.9734 -1.3479  1.4435  0.6457   1.9422  -3.8079  2.1575  12.255  5.3506 8.5832  4.2541 3.671756       6.835637 
1 1 1 25 13 20 o 46.988  2.4296 18.283   1.7836  16.919   2.3380  20.181   2.7585  44.078  3.4100 47.716  3.7170 -3.638233      5.044265 
1 1 1 25 13 21 o 35.195  3.2072 10.705   1.7501  11.459   2.2201  9.4679   2.8445  35.461  4.0671 29.426  6.3523 6.034969       7.542780 
1 1 1 25 13 22 o 12.452  5.0650 1.1855   1.5512  1.8377   1.9777  0.1430   2.5005  14.188  5.7378 12.464  5.7025 1.723648       8.089585 
1 1 1 25 13 23 o 14.854  5.3166 2.2283   1.5692  2.9166   1.9896  1.0951   2.5528  16.341  5.9673 13.576  6.0221 2.765189       8.477875 
1 1 1 25 13 24 o 11.596  4.8816 0.8289   1.5109  1.8702   1.9259  -0.8377  2.4365  14.099  5.6760 11.286  5.3179 2.812822       7.778004 
1 1 1 25 13 25 o 9.3437  4.4399 -1.2180  1.7672  -0.2462  2.2720  -2.7065  2.8118  11.500  5.3239 10.570  5.1614 0.9309053      7.415152 
1 1 1 25 13 26 o 28.793  4.8485 8.2012   2.1108  6.8204   2.4590  12.067   4.1145  24.194  6.3888 28.240  8.5555 -4.045990      10.67769 
1 1 1 25 13 27 o 44.828  3.3293 17.748   2.3230  14.828   2.7175  25.670   4.4764  39.219  4.5016 48.310  6.0429 -9.091003      7.535343 
1 1 1 25 13 28 o 34.051  4.0405 10.859   2.1148  13.176   2.8562  8.0465   3.1463  35.656  5.2685 23.905  7.5246 11.75101       9.185638 
1 1 1 25 14 0  o 7.5771  5.2727 -1.5526  2.2329  -1.5526  2.2329  -1.5526  2.2329  7.5771  5.2727 7.5771  5.2727 0.000000       0.000000 
1 1 1 25 14 1  o 7.9523  3.9047 -2.6194  1.6774  -2.8077  2.1797  -2.3459  2.6266  9.2478  4.5220 10.607  5.1355 -1.359138      6.842678 
1 1 1 25 14 2  o 20.083  5.3352 4.1370   1.7082  3.3721   2.2762  5.1233   2.5846  17.311  6.3733 20.615  6.8473 -3.304659      9.354384 
1 1 1 25 14 3  o 11.026  4.8117 0.3846   1.5691  -1.3331  2.1856  2.2119   2.2542  10.423  4.9482 15.096  6.1185 -4.673388      7.869028 
1 1 1 25 14 4  o 13.715  5.3666 1.6926   1.6751  2.3460   2.3051  0.9613   2.4386  15.344  6.1983 13.390  5.9155 1.953660       8.568058 
1 1 1 25 14 5  o 21.494  4.9329 4.5582   1.6269  4.0057   2.2229  5.1956   2.3876  18.715  6.3509 21.159  6.5377 -2.444576      9.114625 
1 1 1 25 14 6  o 36.350  3.1131 11.361   1.7569  11.479   2.4781  11.242   2.4912  34.745  4.6676 34.258  4.7679 0.4870300      6.672237 
1 1 1 25 14 7  o 8.4593  4.0731 -1.6913  1.5973  -1.6726  2.2406  -1.7107  2.2779  10.233  4.9001 10.289  4.9304 -0.5544281E-01 6.951242 
1 1 1 25 14 8  o 13.744  5.2869 1.7479   1.6044  0.8465   2.2578  2.6676   2.2804  12.939  5.7054 15.847  6.2429 -2.907455      8.457232 
1 1 1 25 14 9  o 11.904  5.0154 0.8742   1.5970  -2.1024  2.1983  4.2005   2.3239  9.7680  4.7218 18.905  6.4926 -9.136948      8.027994 
1 1 1 25 14 10 o 9.8953  4.5254 -0.3359  1.5725  -4.1393  2.1828  3.7681   2.2674  8.4020  4.1834 18.002  6.3963 -9.600434      7.642882 
1 1 1 25 14 11 o 12.121  4.9317 1.1037   1.4711  2.4288   1.9778  -0.5373  2.2009  15.289  5.8726 11.149  5.1881 4.140299       7.836016 
1 1 1 25 14 12 o 12.602  5.0977 1.2795   1.5614  3.6269   2.2754  -0.8096  2.1466  17.614  6.3892 10.738  5.0382 6.875261       8.136691 
1 1 1 25 14 13 o 14.987  5.2667 2.2958   1.5334  2.0219   2.0886  2.6161   2.2585  14.469  5.8804 15.591  6.1903 -1.122014      8.538069 
1 1 1 25 14 14 o 15.691  5.1433 2.5408   1.4601  3.9510   1.9971  0.9218   2.1399  18.662  6.0081 12.732  5.5860 5.930413       8.203658 
1 1 1 25 14 15 o 14.443  5.1628 2.1077   1.4794  1.1175   1.9882  3.3359   2.2142  12.782  5.4974 16.909  6.2745 -4.126582      8.342133 
1 1 1 25 14 16 o 13.603  5.1146 1.7937   1.4808  1.5662   2.0083  2.0647   2.1920  13.498  5.6522 14.465  5.9679 -0.9671221     8.219690 
1 1 1 25 14 17 o 18.484  5.6481 3.7811   1.7877  2.7525   2.2529  5.5298   2.9375  15.629  6.1898 20.004  7.2590 -4.375561      9.539751 
1 1 1 25 14 18 o 15.952  5.6826 2.8265   1.7908  3.5444   2.2406  1.5569   2.9796  17.107  6.3189 14.155  6.3755 2.952347       8.976432 
1 1 1 25 14 19 o 13.178  5.4001 1.5748   1.7797  4.7179   2.2643  -3.5052  2.8787  19.562  6.4047 10.106  4.9914 9.455753       8.119999 
1 1 1 25 14 20 o 17.485  5.8183 3.5450   1.8659  2.9453   2.3848  4.4915   2.9960  15.697  6.3173 17.769  7.1055 -2.072282      9.507697 
1 1 1 25 14 21 o 15.083  5.8743 2.5909   1.9999  3.3060   2.4113  1.0151   3.5795  16.211  6.4090 13.818  6.4905 2.392583       9.121478 
1 1 1 25 14 22 o 15.315  5.8483 2.7366   1.9544  4.0835   2.3508  -0.2778  3.5169  17.641  6.4796 12.749  6.1140 4.891734       8.908785 
1 1 1 25 15 0  o 10.858  6.7683 1.2536   2.3412  1.2536   2.3412  1.2536   2.3412  10.858  6.7683 10.858  6.7683 0.000000       0.000000 
1 1 1 25 15 1  o 25.963  4.8263 6.7898   1.8921  6.3690   2.4669  7.3910   2.9486  22.651  6.5658 23.170  7.2829 -0.5186863     9.805676 
1 1 1 25 15 2  o 15.034  5.4479 2.4707   1.6537  0.5455   2.3266  4.4367   2.3510  12.213  5.5538 18.583  6.5219 -6.370138      8.566234 
1 1 1 25 15 3  o 11.543  4.9718 0.8171   1.6309  2.2974   2.3002  -0.6793  2.3127  14.577  6.0719 10.925  5.1579 3.652225       7.966942 
1 1 1 25 15 4  o 13.635  5.3192 1.8805   1.6419  2.1319   2.3579  1.6439   2.2876  14.319  6.0668 13.565  5.8653 0.7542868      8.438460 
1 1 1 25 15 5  o 15.182  5.7234 2.6027   1.8567  1.7466   2.3401  4.0575   3.0505  13.730  5.9344 16.953  7.0210 -3.222980      9.193070 
1 1 1 25 15 6  o 12.029  5.3433 0.7765   2.0162  0.8697   3.0759  0.7062   2.6697  13.300  6.1704 12.752  5.8556 0.5481339      8.506564 
1 1 1 25 15 7  o 11.628  5.1820 0.6105   1.9121  1.2288   2.2154  -1.1956  3.7862  12.866  5.6632 12.518  6.0850 0.3480015      8.312588 
1 1 1 25 15 8  o 10.708  5.0059 -0.4005  2.0870  0.9429   2.5200  -3.3341  3.7239  12.795  5.8037 11.348  5.6180 1.447062       8.077396 
1 1 1 25 15 9  o 20.099  6.5308 5.2291   2.3560  4.7288   2.9174  6.1671   3.9946  17.928  7.0616 18.451  7.8598 -0.5230637     10.56611 
1 1 1 25 15 10 o 8.2565  4.1181 -3.8675  2.1543  -2.8698  2.8079  -5.2952  3.3588  10.160  5.0011 9.9554  4.9916 0.2045441      7.065896 
1 1 1 25 15 11 f 12.291  5.5256 0.8723   2.2257  -2.0168  2.7864  5.9647   3.6993  10.603  5.1689 18.410  7.6869 -7.807229      9.263088 
1 1 1 25 15 12 o 10.829  5.1012 -0.4615  2.2397  -1.3174  2.8387  0.9501   3.6455  11.109  5.3689 13.526  6.4127 -2.417482      8.363513 
1 1 1 25 15 13 o 21.456  6.1188 5.6367   2.1588  2.8080   2.5759  12.311   3.9568  14.965  6.3409 27.233  8.4166 -12.26724      10.53782 
1 1 1 26 0  0  o 26.338  6.6108 6.4018   2.3610  6.4018   2.3610  6.4018   2.3610  26.338  6.6108 26.338  6.6108 0.000000       0.000000 
1 1 1 26 0  1  o 12.118  6.3460 1.7023   1.5866  1.7023   1.5866  1.7023   1.5866  12.118  6.3460 12.118  6.3460 0.000000       0.000000 
1 1 1 26 0  2  o 89.222  2.0588 62.613   2.8762  62.613   2.8762  62.613   2.8762  89.222  2.0588 89.222  2.0588 0.000000       0.000000 
1 1 1 26 0  3  o 49.673  2.8509 19.599   2.2033  19.599   2.2033  19.599   2.2033  49.673  2.8509 49.673  2.8509 0.000000       0.000000 
1 1 1 26 0  4  o 40.322  2.9741 13.000   1.8564  13.000   1.8564  13.000   1.8564  40.322  2.9741 40.322  2.9741 0.000000       0.000000 
1 1 1 26 0  5  o 32.687  3.6383 8.7278   1.8052  8.7278   1.8052  8.7278   1.8052  32.687  3.6383 32.687  3.6383 0.000000       0.000000 
1 1 1 26 0  6  o 59.792  2.5276 28.253   2.3596  28.253   2.3596  28.253   2.3596  59.792  2.5276 59.792  2.5276 0.000000       0.000000 
1 1 1 26 0  7  o 74.544  2.1233 43.751   2.4768  43.751   2.4768  43.751   2.4768  74.544  2.1233 74.544  2.1233 0.000000       0.000000 
1 1 1 26 0  8  o 148.699 2.0942 173.769  4.8796  173.769  4.8796  173.769  4.8796  148.699 2.0942 148.699 2.0942 0.000000       0.000000 
1 1 1 26 0  9  o 102.692 2.0481 82.920   3.2942  82.920   3.2942  82.920   3.2942  102.692 2.0481 102.692 2.0481 0.000000       0.000000 
1 1 1 26 0  10 o 42.850  2.8735 14.641   1.9104  14.641   1.9104  14.641   1.9104  42.850  2.8735 42.850  2.8735 0.000000       0.000000 
1 1 1 26 0  11 o 96.574  2.0493 73.351   3.0994  73.351   3.0994  73.351   3.0994  96.574  2.0493 96.574  2.0493 0.000000       0.000000 
1 1 1 26 0  12 o 19.986  6.3472 3.9960   1.7503  3.9960   1.7503  3.9960   1.7503  19.986  6.3472 19.986  6.3472 0.000000       0.000000 
1 1 1 26 0  13 o 30.597  4.1721 7.7941   1.8959  7.7941   1.8959  7.7941   1.8959  30.597  4.1721 30.597  4.1721 0.000000       0.000000 
1 1 1 26 0  14 o 22.477  5.8775 4.7387   1.7895  4.7387   1.7895  4.7387   1.7895  22.477  5.8775 22.477  5.8775 0.000000       0.000000 
1 1 1 26 0  15 o 27.625  4.9103 6.5802   1.9262  6.5802   1.9262  6.5802   1.9262  27.625  4.9103 27.625  4.9103 0.000000       0.000000 
1 1 1 26 0  16 o 153.228 2.5663 184.825  6.1607  184.825  6.1607  184.825  6.1607  153.228 2.5663 153.228 2.5663 0.000000       0.000000 
1 1 1 26 0  17 o 6.8746  4.7952 -1.7616  1.8768  -1.7616  1.8768  -1.7616  1.8768  6.8746  4.7952 6.8746  4.7952 0.000000       0.000000 
1 1 1 26 0  18 o 108.129 2.2288 92.011   3.7745  92.011   3.7745  92.011   3.7745  108.129 2.2288 108.129 2.2288 0.000000       0.000000 
1 1 1 26 0  19 o 34.012  3.7571 9.4623   1.9408  9.4623   1.9408  9.4623   1.9408  34.012  3.7571 34.012  3.7571 0.000000       0.000000 
1 1 1 26 0  20 o 32.991  3.7803 8.9272   1.8886  8.9272   1.8886  8.9272   1.8886  32.991  3.7803 32.991  3.7803 0.000000       0.000000 
1 1 1 26 0  21 o 8.0304  5.3308 -0.4505  1.7822  -0.4505  1.7822  -0.4505  1.7822  8.0304  5.3308 8.0304  5.3308 0.000000       0.000000 
1 1 1 26 0  22 o 29.267  4.1461 7.1685   1.7921  7.1685   1.7921  7.1685   1.7921  29.267  4.1461 29.267  4.1461 0.000000       0.000000 
1 1 1 26 0  23 o 83.886  2.1215 55.416   2.7859  55.416   2.7859  55.416   2.7859  83.886  2.1215 83.886  2.1215 0.000000       0.000000 
1 1 1 26 0  24 o 53.464  2.5773 22.655   2.1487  22.655   2.1487  22.655   2.1487  53.464  2.5773 53.464  2.5773 0.000000       0.000000 
1 1 1 26 0  25 o 33.769  3.8058 9.3538   1.9489  9.3538   1.9489  9.3538   1.9489  33.769  3.8058 33.769  3.8058 0.000000       0.000000 
1 1 1 26 0  26 o 62.555  2.5906 30.969   2.5306  30.969   2.5306  30.969   2.5306  62.555  2.5906 62.555  2.5906 0.000000       0.000000 
1 1 1 26 0  27 o 33.796  3.8529 9.3834   1.9728  9.3834   1.9728  9.3834   1.9728  33.796  3.8529 33.796  3.8529 0.000000       0.000000 
1 1 1 26 0  28 o 8.3578  5.4160 -0.0336  1.6809  -0.0336  1.6809  -0.0336  1.6809  8.3578  5.4160 8.3578  5.4160 0.000000       0.000000 
1 1 1 26 0  29 o 46.758  3.0526 17.473   2.2157  17.473   2.2157  17.473   2.2157  46.758  3.0526 46.758  3.0526 0.000000       0.000000 
1 1 1 26 0  30 o 44.743  3.0800 16.028   2.1369  16.028   2.1369  16.028   2.1369  44.743  3.0800 44.743  3.0800 0.000000       0.000000 
1 1 1 26 0  31 o 43.327  3.1018 15.053   2.0820  15.053   2.0820  15.053   2.0820  43.327  3.1018 43.327  3.1018 0.000000       0.000000 
1 1 1 26 0  32 o 40.181  3.7775 13.137   2.3311  13.137   2.3311  13.137   2.3311  40.181  3.7775 40.181  3.7775 0.000000       0.000000 
1 1 1 26 0  33 o 41.247  3.2741 13.711   2.0864  13.711   2.0864  13.711   2.0864  41.247  3.2741 41.247  3.2741 0.000000       0.000000 
1 1 1 26 0  34 o 16.731  6.4238 3.0628   1.5934  3.0628   1.5934  3.0628   1.5934  16.731  6.4238 16.731  6.4238 0.000000       0.000000 
1 1 1 26 0  35 o 22.172  5.5344 4.5914   1.6643  4.5914   1.6643  4.5914   1.6643  22.172  5.5344 22.172  5.5344 0.000000       0.000000 
1 1 1 26 0  36 o 58.235  2.4174 26.883   2.1983  26.883   2.1983  26.883   2.1983  58.235  2.4174 58.235  2.4174 0.000000       0.000000 
1 1 1 26 0  37 o 9.1504  5.6719 0.5337   1.6211  0.5337   1.6211  0.5337   1.6211  9.1504  5.6719 9.1504  5.6719 0.000000       0.000000 
1 1 1 26 0  38 o 55.385  2.7740 24.443   2.3948  24.443   2.3948  24.443   2.3948  55.385  2.7740 55.385  2.7740 0.000000       0.000000 
1 1 1 26 0  39 o 6.5402  4.5308 -1.2557  1.6013  -1.2557  1.6013  -1.2557  1.6013  6.5402  4.5308 6.5402  4.5308 0.000000       0.000000 
1 1 1 26 0  40 o 91.555  2.2705 66.282   3.2543  66.282   3.2543  66.282   3.2543  91.555  2.2705 91.555  2.2705 0.000000       0.000000 
1 1 1 26 0  41 o 25.541  4.4703 5.6816   1.6258  5.6816   1.6258  5.6816   1.6258  25.541  4.4703 25.541  4.4703 0.000000       0.000000 
1 1 1 26 0  42 o 32.663  3.5669 8.8125   1.7711  8.8125   1.7711  8.8125   1.7711  32.663  3.5669 32.663  3.5669 0.000000       0.000000 
1 1 1 26 0  43 o 34.153  3.3163 9.5581   1.7371  9.5581   1.7371  9.5581   1.7371  34.153  3.3163 34.153  3.3163 0.000000       0.000000 
1 1 1 26 0  44 o 5.9508  4.1727 -1.4601  1.4754  -1.4601  1.4754  -1.4601  1.4754  5.9508  4.1727 5.9508  4.1727 0.000000       0.000000 
1 1 1 26 0  45 o 11.781  6.3285 1.7039   1.6116  1.7039   1.6116  1.7039   1.6116  11.781  6.3285 11.781  6.3285 0.000000       0.000000 
1 1 1 26 0  46 o 9.5871  5.8076 0.8330   1.6127  0.8330   1.6127  0.8330   1.6127  9.5871  5.8076 9.5871  5.8076 0.000000       0.000000 
1 1 1 26 0  47 f 24.726  5.5342 5.6955   1.8732  5.6955   1.8732  5.6955   1.8732  24.726  5.5342 24.726  5.5342 0.000000       0.000000 
1 1 1 26 0  48 o 20.749  6.4945 4.4847   1.8535  4.4847   1.8535  4.4847   1.8535  20.749  6.4945 20.749  6.4945 0.000000       0.000000 
1 1 1 26 0  49 o 37.056  3.4473 11.338   1.9628  11.338   1.9628  11.338   1.9628  37.056  3.4473 37.056  3.4473 0.000000       0.000000 
1 1 1 26 0  50 o 8.4330  5.6216 -0.3387  2.0177  -0.3387  2.0177  -0.3387  2.0177  8.4330  5.6216 8.4330  5.6216 0.000000       0.000000 
1 1 1 26 0  51 o 9.7713  6.0459 0.8036   1.8334  0.8036   1.8334  0.8036   1.8334  9.7713  6.0459 9.7713  6.0459 0.000000       0.000000 
1 1 1 26 0  52 o 6.9275  4.8190 -1.4081  1.8607  -1.4081  1.8607  -1.4081  1.8607  6.9275  4.8190 6.9275  4.8190 0.000000       0.000000 
1 1 1 26 0  53 o 16.799  6.8271 3.3670   1.7635  3.3670   1.7635  3.3670   1.7635  16.799  6.8271 16.799  6.8271 0.000000       0.000000 
1 1 1 26 0  54 o 15.346  6.6660 2.9038   1.6592  2.9038   1.6592  2.9038   1.6592  15.346  6.6660 15.346  6.6660 0.000000       0.000000 
1 1 1 26 0  55 o 7.2602  4.9606 -0.8098  1.7698  -0.8098  1.7698  -0.8098  1.7698  7.2602  4.9606 7.2602  4.9606 0.000000       0.000000 
1 1 1 26 0  56 o 10.609  6.3064 1.3036   1.8321  1.3036   1.8321  1.3036   1.8321  10.609  6.3064 10.609  6.3064 0.000000       0.000000 
1 1 1 26 0  57 o 8.4597  5.5964 -0.0566  1.9371  -0.0566  1.9371  -0.0566  1.9371  8.4597  5.5964 8.4597  5.5964 0.000000       0.000000 
1 1 1 26 0  58 o 7.8398  5.2623 -0.3319  1.8222  -0.3319  1.8222  -0.3319  1.8222  7.8398  5.2623 7.8398  5.2623 0.000000       0.000000 
1 1 1 26 0  59 o 14.401  6.9881 2.8493   1.8461  2.8493   1.8461  2.8493   1.8461  14.401  6.9881 14.401  6.9881 0.000000       0.000000 
1 1 1 26 1  0  o 43.114  2.8434 14.817   1.9026  14.817   1.9026  14.817   1.9026  43.114  2.8434 43.114  2.8434 0.000000       0.000000 
1 1 1 26 1  1  o 22.508  3.4569 4.1180   1.1808  3.9474   1.6497  4.2971   1.6907  21.704  4.9574 22.671  4.9000 -0.9665108     6.970334 
1 1 1 26 1  2  o 64.391  1.6282 32.606   1.6436  30.913   2.2833  34.426   2.3679  62.592  2.3270 66.060  2.2864 -3.468483      3.262287 
1 1 1 26 1  3  o 70.867  1.6319 39.494   1.8129  39.758   2.6901  39.275   2.4539  70.965  2.4181 70.572  2.2181 0.3929520      3.281304 
1 1 1 26 1  4  o 58.439  1.7086 26.865   1.5653  24.338   2.1763  29.574   2.2530  55.508  2.5010 61.217  2.3476 -5.708981      3.430183 
1 1 1 26 1  5  o 127.333 1.5041 127.446  3.0025  129.770  4.4585  125.517  4.0614  128.278 2.2171 126.213 2.0527 2.064835       3.021435 
1 1 1 26 1  6  o 54.162  1.7524 23.082   1.4879  23.681   2.1168  22.497   2.0920  54.758  2.4659 53.365  2.5006 1.392990       3.511948 
1 1 1 26 1  7  o 50.574  2.0507 20.155   1.6259  19.295   2.2398  21.112   2.3638  49.268  2.9129 51.538  2.9379 -2.269249      4.137155 
1 1 1 26 1  8  o 36.564  2.5001 10.611   1.4245  9.4505   1.9500  11.938   2.0858  34.239  3.6914 38.579  3.4865 -4.339260      5.077549 
1 1 1 26 1  9  o 100.197 1.5872 78.947   2.4931  83.908   3.6655  74.675   3.4008  103.125 2.2673 97.296  2.2296 5.828697       3.179934 
1 1 1 26 1  10 o 16.475  4.7672 2.2398   1.3015  2.0646   1.8222  2.4223   1.8596  16.580  5.7461 17.529  5.8073 -0.9487000     8.169614 
1 1 1 26 1  11 o 37.302  2.7135 11.069   1.5759  11.510   2.2166  10.618   2.2410  37.786  3.7933 36.216  4.0147 1.569130       5.523284 
1 1 1 26 1  12 o 61.271  2.0372 29.589   1.9568  29.378   2.7320  29.811   2.8040  60.890  2.8620 61.325  2.9167 -0.4348793     4.086324 
1 1 1 26 1  13 o 65.304  1.9713 33.603   2.0181  35.037   2.8897  32.237   2.8196  66.515  2.7713 63.791  2.8195 2.724041       3.953472 
1 1 1 26 1  14 o 36.685  2.7469 10.715   1.5683  12.714   2.2641  8.8714   2.1744  39.750  3.6749 32.970  4.3101 6.780693       5.664088 
1 1 1 26 1  15 o 33.388  2.9980 8.9148   1.5525  9.2400   2.1839  8.5826   2.2074  33.676  4.2301 32.367  4.4696 1.308918       6.153960 
1 1 1 26 1  16 o 35.460  2.5960 10.001   1.4331  10.976   2.0309  9.0339   2.0225  36.934  3.5514 33.371  3.9422 3.563015       5.305965 
1 1 1 26 1  17 o 13.382  4.7993 1.2514   1.2794  2.5655   1.8272  -0.0124  1.7920  17.826  5.7476 12.164  5.2250 5.661860       7.767621 
1 1 1 26 1  18 o 37.943  2.5333 11.439   1.4982  12.918   2.1299  9.9898   2.1079  40.120  3.4190 35.115  3.8948 5.004963       5.182542 
1 1 1 26 1  19 f 68.282  1.7728 36.715   1.8977  36.608   2.7032  36.819   2.6646  68.018  2.5351 68.225  2.4914 -0.2068329     3.554388 
1 1 1 26 1  20 f 75.464  1.6829 44.828   1.9909  45.279   2.8203  44.380   2.8108  75.683  2.3771 74.924  2.3931 0.7587891      3.373062 
1 1 1 26 1  21 o 47.926  2.0688 18.122   1.5544  17.965   2.1748  18.287   2.2224  47.473  2.9367 47.888  2.9750 -0.4143753     4.180307 
1 1 1 26 1  22 o 13.685  4.7826 1.3753   1.2636  2.7787   1.8048  0.0258   1.7698  18.331  5.6874 12.132  5.2013 6.199760       7.707093 
1 1 1 26 1  23 o 19.379  4.1409 3.1332   1.2198  2.4068   1.8203  3.7253   1.6434  17.357  5.7454 20.972  5.0573 -3.614742      7.654158 
1 1 1 26 1  24 o 59.703  1.7831 28.086   1.6689  27.934   2.4255  28.223   2.2999  59.365  2.6063 59.708  2.4571 -0.3431129     3.581908 
1 1 1 26 1  25 o 74.596  1.5595 43.797   1.8237  43.368   2.6093  44.207   2.5498  74.066  2.2473 74.799  2.1745 -0.7328110     3.127081 
1 1 1 26 1  26 o 61.747  1.6769 30.033   1.6232  27.746   2.2294  32.612   2.3679  59.198  2.4024 64.191  2.3531 -4.993839      3.362772 
1 1 1 26 1  27 o 32.288  2.4461 8.3055   1.2289  7.3139   1.7391  9.2945   1.7368  29.941  3.7901 33.950  3.3052 -4.009018      5.028844 
1 1 1 26 1  28 o 37.857  2.2079 11.374   1.3046  10.243   1.8054  12.610   1.8874  35.654  3.2663 39.651  3.0601 -3.996353      4.475807 
1 1 1 26 1  29 o 45.354  1.9947 16.248   1.4182  16.861   2.0292  15.662   1.9829  45.941  2.8314 44.259  2.8735 1.682102       4.034063 
1 1 1 26 1  30 o 40.526  2.0768 13.018   1.3150  11.728   1.8185  14.433   1.9039  38.206  3.0619 42.465  2.8769 -4.259529      4.201375 
1 1 1 26 1  31 o 54.705  1.7930 23.616   1.5377  22.002   2.1232  25.395   2.2299  52.617  2.5740 56.545  2.5156 -3.928432      3.599141 
1 1 1 26 1  32 o 32.048  2.6646 8.2296   1.3266  8.4642   1.9546  8.0292   1.8063  32.094  3.9697 31.323  3.7532 0.7706642      5.463034 
1 1 1 26 1  33 o 6.9591  3.3736 -1.8462  1.1423  -0.9218  1.6175  -2.7659  1.6135  10.065  4.5978 8.0886  3.9411 1.976427       6.055751 
1 1 1 26 1  34 o 26.497  2.9691 5.6848   1.2121  4.3731   1.6662  7.1592   1.7665  22.606  4.8472 29.453  3.9235 -6.846474      6.236089 
1 1 1 26 1  35 o 20.217  4.2334 3.4603   1.2987  2.9312   1.8157  4.0144   1.8582  18.480  5.6998 21.430  5.5027 -2.950043      7.922634 
1 1 1 26 1  36 o 45.904  1.9636 16.685   1.4131  18.273   1.9966  15.092   2.0001  47.761  2.6775 43.283  2.9656 4.477554       3.995448 
1 1 1 26 1  37 o 23.766  3.5915 4.6770   1.2964  3.9909   1.7111  5.6013   1.9862  21.388  5.1622 25.421  5.1602 -4.032785      7.299019 
1 1 1 26 1  38 o 44.163  1.9919 15.466   1.3790  16.846   1.9455  14.072   1.9550  45.788  2.7226 41.719  3.0095 4.068829       4.058287 
1 1 1 26 1  39 o 41.081  2.1748 13.458   1.3956  13.355   1.9469  13.567   2.0015  40.576  3.0838 40.869  3.1483 -0.2929497     4.406942 
1 1 1 26 1  40 o 51.399  1.9598 20.969   1.5792  22.304   2.1317  19.345   2.3509  52.771  2.5769 48.833  3.0868 3.937748       4.020979 
1 1 1 26 1  41 o 27.355  3.0847 6.1275   1.2997  6.2800   1.7634  5.9461   1.9232  27.187  4.2788 26.154  4.8699 1.033001       6.482624 
1 1 1 26 1  42 o 57.067  1.8156 25.837   1.6242  25.250   2.2428  26.484   2.3553  56.088  2.5508 57.406  2.6172 -1.318241      3.654651 
1 1 1 26 1  43 o 32.887  2.6286 8.7575   1.3438  10.132   1.8978  7.3751   1.9032  34.970  3.5091 29.414  4.2508 5.555979       5.512090 
1 1 1 26 1  44 f 8.9987  4.0601 -0.4677  1.2143  -1.3567  1.6960  0.4675   1.7395  9.6104  4.4992 12.368  5.2240 -2.758013      6.894366 
1 1 1 26 1  45 o 27.327  3.0875 6.1633   1.2995  5.5232   1.7288  6.9946   1.9702  25.137  4.5549 28.332  4.5931 -3.195440      6.468642 
1 1 1 26 1  46 o 23.870  3.6501 4.8245   1.3224  5.2300   1.8906  4.4361   1.8504  24.048  5.1689 21.975  5.4081 2.072779       7.480998 
1 1 1 26 1  47 o 20.331  4.2841 3.6293   1.3224  4.1108   1.8511  3.1275   1.8897  21.023  5.5391 18.355  5.8375 2.668428       8.047193 
1 1 1 26 1  48 o 26.999  3.3227 6.1006   1.3767  5.9083   1.9580  6.2886   1.9361  25.557  5.0660 26.541  4.8311 -0.9842892     7.000272 
1 1 1 26 1  49 o 13.179  4.8476 1.3518   1.3164  -0.5936  1.8624  3.2943   1.8610  10.953  4.9763 18.694  5.7712 -7.741290      7.620346 
1 1 1 26 1  50 o 13.426  4.7960 1.4696   1.2764  1.4484   1.7138  1.4960   1.9127  14.039  5.4462 14.455  5.7103 -0.4165230     7.891003 
1 1 1 26 1  51 o 31.131  2.9060 8.0031   1.4018  8.1807   2.1721  7.8764   1.8351  30.287  4.7293 30.243  3.9662 0.4381943E-01  6.172261 
1 1 1 26 1  52 o 9.1611  4.2823 -1.1102  1.5263  -0.1197  2.2699  -1.9277  2.0620  12.549  5.6153 10.039  4.7777 2.510043       7.372793 
1 1 1 26 1  53 o 16.782  5.5291 2.6268   1.6865  0.8480   2.0717  6.1220   2.9040  13.454  5.6927 24.003  7.1687 -10.54983      9.154091 
1 1 1 26 1  54 o 12.395  5.2104 0.6965   1.7173  0.4163   2.4793  0.9549   2.3810  13.562  5.9795 14.120  6.0429 -0.5582886     8.501170 
1 1 1 26 1  55 o 27.333  4.3383 6.6604   1.7968  6.5970   2.6605  6.7137   2.4364  25.187  6.6426 25.972  6.0897 -0.7844963     9.011621 
1 1 1 26 1  56 o 33.354  3.1316 9.3654   1.6183  8.3336   2.6922  9.9491   2.0250  28.822  6.1460 33.773  3.8962 -4.951162      7.276985 
1 1 1 26 1  57 o 27.491  3.4611 6.5116   1.4586  5.7211   2.2048  7.1268   1.9450  23.744  5.9386 27.866  4.6138 -4.122049      7.520294 
1 1 1 26 1  58 o 23.588  3.8298 4.9416   1.3676  3.7611   2.1158  5.7888   1.7924  18.813  6.1927 24.800  4.7838 -5.986429      7.825217 
1 1 1 26 2  0  o 8.9574  6.0123 -0.8690  2.3786  -0.8690  2.3786  -0.8690  2.3786  8.9574  6.0123 8.9574  6.0123 0.000000       0.000000 
1 1 1 26 2  1  f 72.704  2.2902 41.734   2.6103  45.233   3.7396  38.410   3.6452  75.443  3.1619 69.463  3.3474 5.980270       4.604681 
1 1 1 26 2  2  o 62.187  2.6757 30.615   2.6085  29.571   3.3019  32.347   4.2544  60.817  3.4777 63.290  4.3136 -2.472794      5.540910 
1 1 1 26 2  3  o 47.372  2.8430 17.850   2.1016  17.257   2.9854  18.433   2.9590  46.191  4.1677 47.812  3.9840 -1.621712      5.765549 
1 1 1 26 2  4  o 12.825  5.4008 0.2643   1.8504  1.0517   2.8530  -0.3074  2.4311  16.675  6.8357 13.677  5.9785 2.997763       9.081231 
1 1 1 26 2  5  f 111.620 2.6256 98.605   4.5944  92.711   6.2706  105.436  6.7509  107.717 3.7134 114.850 3.7495 -7.133484      5.277139 
1 1 1 26 2  6  o 56.566  2.4984 25.301   2.2155  24.946   3.1458  25.652   3.1208  55.790  3.6163 56.604  3.5346 -0.8146667     5.056817 
1 1 1 26 2  7  o 36.843  3.3322 10.892   1.9038  9.0232   2.6298  12.950   2.7596  32.922  5.2735 39.846  4.4965 -6.924759      6.930221 
1 1 1 26 2  8  o 52.398  2.4459 21.705   2.0091  23.624   3.1393  20.373   2.6146  54.246  3.7140 50.480  3.3225 3.766071       4.983248 
1 1 1 26 2  9  o 21.843  4.5962 3.9886   1.5240  1.7100   2.2707  5.8562   2.0557  16.565  6.3090 26.422  5.1482 -9.856964      8.142939 
1 1 1 26 2  10 o 40.087  2.4289 12.750   1.5192  12.318   2.1894  13.151   2.1097  39.115  3.6113 40.498  3.3533 -1.383224      4.928042 
1 1 1 26 2  11 o 20.168  4.2492 3.3890   1.3011  3.7361   1.8258  3.0309   1.8546  20.988  5.4873 19.067  5.7366 1.921282       7.938468 
1 1 1 26 2  12 o 19.364  4.4567 3.1410   1.3248  5.1282   1.9341  1.3843   1.8185  24.670  5.1666 14.929  5.6555 9.740708       7.660159 
1 1 1 26 2  13 o 59.382  1.9120 27.792   1.7799  24.601   2.5026  31.058   2.5320  55.604  2.8809 62.634  2.5787 -7.030025      3.866452 
1 1 1 26 2  14 o 74.466  1.7380 43.666   2.0290  43.054   2.8781  44.270   2.8607  73.765  2.4889 74.813  2.4392 -1.048340      3.484860 
1 1 1 26 2  15 o 54.504  1.9290 23.420   1.6482  23.151   2.3363  23.686   2.3256  53.958  2.7714 54.660  2.7140 -0.7028999     3.878956 
1 1 1 26 2  16 o 14.473  4.8233 1.6272   1.2821  0.9279   1.7998  2.3477   1.8268  13.895  5.5232 17.222  5.7578 -3.327686      7.978584 
1 1 1 26 2  17 o 32.583  2.7760 8.4829   1.4044  9.1406   2.0131  7.8593   1.9603  33.533  3.9025 30.992  4.1380 2.540598       5.687920 
1 1 1 26 2  18 o 37.717  2.4049 11.300   1.4146  13.237   2.0551  9.5564   1.9500  40.621  3.2546 34.357  3.6777 6.264351       4.910963 
1 1 1 26 2  19 o 28.801  3.0602 6.6739   1.3605  6.5447   1.9336  6.8005   1.9147  28.096  4.5452 28.699  4.3958 -0.6029091     6.323103 
1 1 1 26 2  20 o 74.354  1.7216 43.553   2.0067  45.353   2.8972  41.894   2.7821  75.683  2.4419 72.740  2.4398 2.942749       3.451854 
1 1 1 26 2  21 o 44.678  2.2274 15.782   1.5601  17.534   2.1900  13.977   2.2228  46.839  2.9983 41.668  3.4334 5.170979       4.558293 
1 1 1 26 2  22 o 60.039  1.9121 28.440   1.7997  28.651   2.5168  28.218   2.5745  60.076  2.6723 59.597  2.7556 0.4791641      3.838539 
1 1 1 26 2  23 o 73.101  1.7455 42.121   2.0004  41.546   2.8348  42.691   2.8231  72.390  2.4980 73.395  2.4536 -1.005310      3.501439 
1 1 1 26 2  24 o 66.145  1.8189 34.509   1.8861  34.457   2.6677  34.561   2.6669  65.888  2.5827 65.989  2.5780 -0.1010361     3.649192 
1 1 1 26 2  25 o 11.315  4.5865 0.4943   1.2668  3.3666   1.8142  -2.2386  1.7697  19.829  5.5936 9.1767  4.3835 10.65269       7.106545 
1 1 1 26 2  26 o 25.413  3.4440 5.2697   1.3367  4.9728   1.8744  5.5770   1.9068  24.153  5.1098 25.680  4.9155 -1.526880      7.090271 
1 1 1 26 2  27 o 25.049  3.2831 5.1079   1.2582  3.8599   1.8392  6.2059   1.7250  21.146  5.4971 27.376  4.1495 -6.230749      6.887414 
1 1 1 26 2  28 o 43.956  2.1337 15.294   1.4703  13.242   2.0902  17.304   2.0687  40.496  3.3217 46.495  2.8519 -5.998260      4.378044 
1 1 1 26 2  29 f 31.856  2.7454 8.1455   1.3576  10.283   2.0645  6.5168   1.8021  35.478  3.7697 27.999  4.2383 7.479090       5.672221 
1 1 1 26 2  30 o 36.005  2.3435 10.333   1.3155  11.545   2.0329  9.4604   1.7256  37.701  3.4787 34.175  3.2604 3.526539       4.767791 
1 1 1 26 2  31 o 20.006  4.0328 3.3669   1.2211  3.3275   1.8959  3.3949   1.5964  19.581  5.7790 19.822  5.1060 -0.2409344     7.711551 
1 1 1 26 2  32 o 14.318  4.7058 1.6537   1.2219  3.8102   2.0884  0.5311   1.5068  20.802  6.0445 12.082  4.9621 8.719356       7.820352 
1 1 1 26 2  33 o 10.676  4.3921 0.3781   1.1831  -0.9804  1.8252  1.3624   1.5536  10.682  4.8813 14.061  5.2483 -3.379971      7.167419 
1 1 1 26 2  34 o 14.198  4.6213 1.6439   1.1795  0.6315   1.7916  2.4183   1.5670  13.049  5.3905 16.874  5.3100 -3.825613      7.566635 
1 1 1 26 2  35 o 44.464  2.1506 15.707   1.4991  16.032   2.3812  15.494   1.9295  44.335  3.4533 43.866  2.8207 0.4691544      4.458892 
1 1 1 26 2  36 o 18.399  4.3268 2.9093   1.2271  3.1116   1.8723  2.7570   1.6246  18.811  5.7856 17.798  5.3724 1.012737       7.895325 
1 1 1 26 2  37 o 44.314  2.2118 15.638   1.5365  12.187   2.4996  17.733   1.9481  38.131  4.2540 46.958  2.6572 -8.827202      5.015717 
1 1 1 26 2  38 o 27.196  3.0493 6.0489   1.2776  4.3330   1.8491  7.6166   1.7674  22.036  5.3958 30.225  3.8150 -8.188946      6.608277 
1 1 1 26 2  39 o 25.714  3.3451 5.4707   1.3165  4.4325   1.8697  6.4915   1.8540  22.228  5.4156 27.534  4.4469 -5.305861      7.007353 
1 1 1 26 2  40 o 10.726  4.4140 0.4340   1.1954  2.3267   1.7625  -1.1780  1.6266  16.514  5.6550 9.6066  4.4670 6.907701       7.206454 
1 1 1 26 2  41 o 26.479  3.2032 5.7959   1.3026  5.1620   1.9116  6.3455   1.7799  23.993  5.2298 27.182  4.3215 -3.188961      6.784220 
1 1 1 26 2  42 o 19.241  4.3736 3.2453   1.2893  4.2840   1.9292  2.4069   1.7332  21.558  5.6427 16.590  5.6081 4.967110       7.955558 
1 1 1 26 2  43 f 12.439  4.6703 1.1033   1.2338  0.2783   1.8384  1.7796   1.6644  12.250  5.2773 14.897  5.4552 -2.647593      7.590089 
1 1 1 26 2  44 o 22.254  3.6774 4.2150   1.2381  3.8229   1.7760  4.5857   1.7270  20.331  5.4578 22.535  5.0173 -2.204613      7.413548 
1 1 1 26 2  45 o 22.760  3.6993 4.4189   1.2746  2.3595   1.8659  6.2202   1.7451  16.397  5.8050 26.734  4.3106 -10.33716      7.230385 
1 1 1 26 2  46 o 16.482  4.5305 2.4310   1.2069  2.4560   1.7101  2.4062   1.7035  16.509  5.5706 16.376  5.5596 0.1325397      7.870249 
1 1 1 26 2  47 o 6.8384  3.3442 -2.0714  1.1931  -1.8507  1.6897  -2.2908  1.6850  8.9609  4.2812 8.5372  4.1285 0.4236832      5.947592 
1 1 1 26 2  48 o 11.588  4.7272 0.6862   1.3561  1.1548   1.9534  0.2502   1.8840  13.844  5.6635 12.163  5.2910 1.680973       7.750524 
1 1 1 26 2  49 o 42.207  2.4117 14.456   1.5891  12.775   2.1409  16.519   2.3715  38.906  3.5492 44.368  3.4364 -5.462524      4.940183 
1 1 1 26 2  50 o 9.3767  4.2530 -0.4837  1.3530  -2.1108  1.7451  1.9684   2.1423  8.8652  4.2657 15.583  6.0769 -6.718064      7.424620 
1 1 1 26 2  51 o 15.428  5.1003 2.1562   1.4346  2.5227   2.0262  1.7877   2.0316  16.587  6.0274 15.048  5.9039 1.538807       8.437099 
1 1 1 26 2  52 o 15.468  4.9143 2.1880   1.3395  1.7709   1.8543  2.6432   1.9372  14.740  5.6799 16.759  5.9168 -2.018414      8.201807 
1 1 1 26 2  53 o 9.3350  4.1776 -0.2516  1.2568  -1.1552  1.7398  0.7346   1.8176  9.7373  4.5581 12.614  5.3345 -2.877108      7.016644 
1 1 1 26 2  54 o 24.830  3.4988 5.3101   1.3241  6.2236   1.8902  4.4298   1.8556  25.940  4.8257 21.273  5.5174 4.667336       7.329995 
1 1 1 26 2  55 o 13.640  4.8208 1.6447   1.2863  0.6855   1.8046  2.6355   1.8340  12.358  5.2740 16.427  5.7606 -4.068500      7.810234 
1 1 1 26 2  56 o 11.783  4.7267 0.9363   1.3304  1.1743   1.7388  0.6002   2.0660  13.024  5.3374 12.643  5.5194 0.3802032      7.677990 
1 1 1 26 2  57 o 16.218  5.0078 2.5797   1.4012  3.8176   1.8446  0.8912   2.1543  19.149  5.7122 13.093  5.6765 6.055878       8.053077 
1 1 1 26 3  0  o 72.333  2.6913 41.365   3.0422  41.365   3.0422  41.365   3.0422  72.333  2.6913 72.333  2.6913 0.000000       0.000000 
1 1 1 26 3  1  o 31.458  3.3498 7.9777   1.6266  7.7728   2.1712  8.2398   2.4556  30.659  4.6645 31.411  5.1665 -0.7512627     6.960593 
1 1 1 26 3  2  o 39.161  2.8041 12.229   1.7101  12.217   2.2819  12.244   2.5827  38.871  3.7931 38.738  4.3269 0.1326523      5.754083 
1 1 1 26 3  3  o 53.918  2.2070 22.962   1.8655  22.189   2.6059  23.775   2.6717  52.699  3.1690 54.567  3.1364 -1.868206      4.458620 
1 1 1 26 3  4  o 43.764  2.5229 15.213   1.7236  15.268   2.4448  15.158   2.4302  43.546  3.6140 43.392  3.6052 0.1548538      5.104725 
1 1 1 26 3  5  o 14.179  4.9193 1.4973   1.3357  0.2843   1.8438  2.8369   1.9377  12.804  5.3915 18.579  5.9113 -5.774980      8.000785 
1 1 1 26 3  6  o 45.555  2.2066 16.393   1.5758  15.550   2.2264  17.238   2.2306  44.058  3.2464 46.448  3.0809 -2.390102      4.475623 
1 1 1 26 3  7  o 24.049  3.7442 4.7371   1.3656  2.6392   1.8790  7.0860   1.9882  18.015  5.8306 29.298  4.4704 -11.28321      7.347181 
1 1 1 26 3  8  o 27.678  3.0641 6.1668   1.3072  7.1947   1.9620  5.3462   1.7529  29.556  4.3659 25.336  4.5821 4.220804       6.329070 
1 1 1 26 3  9  o 34.768  2.4523 9.6145   1.3280  10.217   1.8875  9.0243   1.8689  35.609  3.4235 33.390  3.6288 2.218914       4.988863 
1 1 1 26 3  10 o 46.326  1.9718 16.930   1.4320  17.800   2.0359  16.078   2.0146  47.281  2.7587 44.896  2.8775 2.384659       3.986330 
1 1 1 26 3  11 o 11.773  4.4647 0.8277   1.1341  -0.3725  1.5751  2.1197   1.6343  10.790  4.7611 16.363  5.4453 -5.573267      7.233262 
1 1 1 26 3  12 o 38.957  2.2079 12.031   1.3428  10.027   1.8611  14.208   1.9394  35.266  3.4088 42.167  2.9525 -6.900902      4.509729 
1 1 1 26 3  13 f 21.919  3.6112 3.9442   1.1977  3.3406   1.6638  4.5932   1.7254  19.825  5.2648 23.339  4.8731 -3.514292      7.173901 
1 1 1 26 3  14 o 34.939  2.4427 9.7136   1.3295  10.297   1.8988  9.1524   1.8621  35.726  3.4326 33.618  3.5888 2.107819       4.966105 
1 1 1 26 3  15 o 37.996  2.3801 11.473   1.4105  10.165   2.1105  12.529   1.8963  35.352  3.8714 39.535  3.0840 -4.182728      4.949657 
1 1 1 26 3  16 o 51.289  1.8486 20.746   1.4864  20.429   2.1012  21.064   2.1029  50.665  2.6547 51.459  2.6154 -0.7941055     3.726620 
1 1 1 26 3  17 o 32.841  2.5707 8.6068   1.3130  6.9893   1.8186  10.368   1.8975  29.160  4.0909 35.834  3.4193 -6.674292      5.331737 
1 1 1 26 3  18 o 15.356  4.6596 1.9439   1.2198  0.3877   1.6358  3.8930   1.8307  12.301  5.1218 21.301  5.4575 -9.000173      7.484492 
1 1 1 26 3  19 o 19.762  4.1414 3.2711   1.2419  2.6261   1.7887  3.8715   1.7257  17.817  5.6807 21.273  5.2150 -3.456678      7.711390 
1 1 1 26 3  20 o 58.997  1.6995 27.438   1.5718  27.665   2.2082  27.204   2.2379  59.080  2.3842 58.572  2.4372 0.5081177      3.409463 
1 1 1 26 3  21 o 25.930  3.0592 5.4393   1.2196  5.1546   1.7191  5.7278   1.7305  24.771  4.5964 26.224  4.3628 -1.452877      6.337216 
1 1 1 26 3  22 o 23.171  3.3903 4.3920   1.1951  5.1294   1.7121  3.6913   1.6689  24.697  4.5910 20.746  5.1544 3.951561       6.902514 
1 1 1 26 3  23 o 14.334  4.5498 1.6677   1.1484  1.3533   1.6725  1.9482   1.5797  14.396  5.4308 15.725  5.3538 -1.329761      7.626059 
1 1 1 26 3  24 f 51.367  1.8080 20.831   1.4559  20.131   2.0922  21.487   2.0273  50.220  2.6671 52.005  2.4866 -1.785484      3.646473 
1 1 1 26 3  25 o 27.372  2.7601 6.0314   1.1682  7.1366   1.7300  5.1051   1.5838  29.463  3.8365 24.713  4.2408 4.750286       5.718683 
1 1 1 26 3  26 o 37.251  2.2549 11.046   1.3106  12.106   1.9083  10.100   1.8032  38.722  3.1714 35.306  3.2960 3.416595       4.573993 
1 1 1 26 3  27 o 37.834  2.2180 11.392   1.3098  12.841   1.9219  10.136   1.7897  39.898  3.0971 35.363  3.2652 4.535439       4.500359 
1 1 1 26 3  28 o 36.902  2.2389 10.848   1.2891  13.345   1.9302  8.8371   1.7319  40.679  3.0489 32.936  3.4034 7.742470       4.569344 
1 1 1 26 3  29 o 31.845  2.5418 8.1334   1.2584  7.8266   1.8353  8.4056   1.7287  30.776  3.8910 32.062  3.4959 -1.286633      5.230828 
1 1 1 26 3  30 o 10.588  4.3062 0.4369   1.1210  -1.2993  1.6329  1.9846   1.5418  9.5939  4.4660 15.645  5.2893 -6.051564      6.922558 
1 1 1 26 3  31 o 23.287  3.3769 4.4709   1.1968  3.4193   1.7204  5.4570   1.6660  19.733  5.4031 25.407  4.3386 -5.673809      6.929463 
1 1 1 26 3  32 o 10.630  4.3864 0.3715   1.1845  0.8476   1.7799  -0.0069  1.5868  13.391  5.4335 11.260  4.8768 2.130777       7.301145 
1 1 1 26 3  33 o 25.718  3.3256 5.4433   1.3094  5.6790   1.7851  5.1688   1.9265  25.762  4.5885 24.272  5.2182 1.490147       6.948660 
1 1 1 26 3  34 o 32.215  2.5850 8.3636   1.2945  9.2508   1.8819  7.5669   1.7835  33.457  3.6473 30.128  3.8651 3.328144       5.314289 
1 1 1 26 3  35 o 27.237  2.9295 6.0499   1.2312  7.3313   1.8319  4.9941   1.6628  29.522  4.0660 24.058  4.5760 5.463947       6.121497 
1 1 1 26 3  36 o 12.063  4.4783 1.0160   1.1282  3.1994   1.6143  -1.0686  1.5773  18.947  5.2523 9.5827  4.4361 9.364537       6.875027 
1 1 1 26 3  37 o 11.393  4.4207 0.7831   1.1294  0.8429   1.5564  0.7166   1.6413  12.672  5.1023 12.629  5.1818 0.4307175E-01  7.272187 
1 1 1 26 3  38 o 10.259  4.3511 0.2020   1.2147  2.1141   1.9172  -1.0803  1.5700  16.096  5.8608 9.5006  4.4079 6.595107       7.333394 
1 1 1 26 3  39 o 18.348  4.0995 2.9236   1.1495  3.5202   1.6346  2.3400   1.6167  19.719  5.2099 16.352  5.4146 3.366341       7.514046 
1 1 1 26 3  40 o 21.444  3.6443 3.9047   1.1813  3.9633   1.6484  3.8428   1.6936  20.939  5.0748 20.537  5.2426 0.4020233      7.296431 
1 1 1 26 3  41 o 27.984  2.9021 6.4396   1.2546  7.1886   1.7304  5.6093   1.8218  29.067  3.8954 25.121  4.8010 3.945421       6.182480 
1 1 1 26 3  42 o 35.852  2.4651 10.418   1.3770  10.644   1.9932  10.212   1.9047  35.578  3.6243 34.903  3.5294 0.6751099      5.058886 
1 1 1 26 3  43 o 12.807  4.7381 1.2474   1.2607  3.4702   1.7879  -0.9507  1.7779  19.234  5.5937 10.256  4.7343 8.978553       7.328248 
1 1 1 26 3  44 o 37.410  2.6765 11.434   1.5593  13.388   2.1853  9.4059   2.2257  39.919  3.5285 32.778  4.4462 7.141144       5.676157 
1 1 1 26 3  45 o 25.934  3.9147 5.8018   1.5420  5.1875   2.0846  6.5442   2.2916  23.328  5.7394 26.307  5.7197 -2.978079      8.102869 
1 1 1 26 3  46 o 26.599  3.6912 6.0503   1.4976  10.871   2.1381  1.4073   2.0984  35.611  3.8934 14.511  5.8955 21.10009       7.065094 
1 1 1 26 3  47 o 17.221  5.1179 2.7520   1.4828  1.6936   2.2566  3.5562   1.9671  15.213  6.1371 19.140  5.9375 -3.927141      8.539252 
1 1 1 26 3  48 o 18.481  4.5571 3.1058   1.3120  2.9231   1.8602  3.2867   1.8507  17.523  5.8084 18.469  5.7641 -0.9467564     8.183064 
1 1 1 26 3  49 o 10.985  4.5818 0.4993   1.3124  1.2442   1.9062  -0.1719  1.8094  13.785  5.6119 11.240  5.0226 2.545413       7.531268 
1 1 1 26 3  50 o 16.832  4.7391 2.6201   1.3036  3.0867   1.8876  2.1947   1.8024  17.808  5.8486 15.610  5.6828 2.197963       8.154755 
1 1 1 26 3  51 o 22.264  3.9814 4.3802   1.3386  4.2389   1.9324  4.5105   1.8560  20.694  5.7502 21.565  5.4790 -0.8709526     7.942572 
1 1 1 26 3  52 o 20.361  4.2186 3.7466   1.3023  4.0659   1.8290  3.4183   1.8546  20.285  5.5778 18.499  5.7697 1.786663       8.025043 
1 1 1 26 3  53 o 32.345  2.8247 8.7363   1.4179  9.7807   1.9797  7.6360   2.0319  33.396  3.8519 28.792  4.6609 4.604015       6.046570 
1 1 1 26 3  54 o 10.685  4.4804 0.5174   1.2647  -0.1255  1.7646  1.1963   1.8134  10.923  4.9143 13.166  5.4296 -2.243292      7.323318 
1 1 1 26 3  55 o 9.7788  4.3002 0.0718   1.2745  -0.5059  1.7767  0.6842   1.8294  10.377  4.7694 12.195  5.2590 -1.817959      7.099597 
1 1 1 26 4  0  o 79.141  2.2725 49.395   2.8142  49.395   2.8142  49.395   2.8142  79.141  2.2725 79.141  2.2725 0.000000       0.000000 
1 1 1 26 4  1  o 98.240  1.5060 75.957   2.3194  73.651   3.2388  78.386   3.3231  96.537  2.1401 99.595  2.1284 -3.058990      3.018294 
1 1 1 26 4  2  o 25.562  3.2879 5.3020   1.2870  2.9427   1.8839  7.3669   1.7624  18.751  5.8095 30.039  3.8297 -11.28872      6.958230 
1 1 1 26 4  3  o 63.150  1.6888 31.420   1.6719  28.770   2.3196  34.285   2.4120  60.256  2.4556 65.812  2.3379 -5.555595      3.390519 
1 1 1 26 4  4  o 14.430  4.5871 1.6766   1.1670  1.5408   1.6732  1.8052   1.6284  14.909  5.4681 15.489  5.4283 -0.5796614     7.704941 
1 1 1 26 4  5  o 35.455  2.4909 10.012   1.3757  9.4362   2.0019  10.527   1.8936  34.051  3.8159 36.123  3.3832 -2.071999      5.099730 
1 1 1 26 4  6  o 45.470  2.1069 16.338   1.5018  17.858   2.2331  15.083   2.0293  47.241  3.0313 43.410  3.0004 3.831367       4.265118 
1 1 1 26 4  7  o 21.121  3.9811 3.7076   1.2698  5.0332   1.8294  2.4750   1.7640  24.396  4.9525 17.411  5.6507 6.985453       7.513833 
1 1 1 26 4  8  o 9.3186  4.1730 -0.4909  1.2562  -1.4323  1.8076  0.3885   1.7470  10.174  4.7235 12.644  5.2812 -2.470383      7.085390 
1 1 1 26 4  9  o 46.107  2.1734 16.812   1.5709  21.760   2.3068  12.532   2.1453  52.222  2.8283 39.384  3.5115 12.83829       4.508845 
1 1 1 26 4  10 o 53.767  2.0633 22.844   1.7391  21.694   2.2641  24.498   2.7160  52.154  2.7792 55.301  3.1459 -3.146420      4.197661 
1 1 1 26 4  11 o 21.003  4.3129 3.7016   1.3725  3.4342   1.9395  3.9698   1.9425  20.029  5.8264 21.457  5.6842 -1.428217      8.139820 
1 1 1 26 4  12 f 17.970  4.7866 2.7373   1.3726  -0.5822  1.9582  5.9436   1.9245  11.757  5.2413 26.587  4.7936 -14.83072      7.102842 
1 1 1 26 4  13 o 54.743  2.0525 23.687   1.7614  27.199   2.5391  20.429   2.4454  58.462  2.7705 50.479  3.1053 7.982613       4.161573 
1 1 1 26 4  14 o 32.793  2.8155 8.6240   1.4334  8.9777   1.9961  8.2473   2.0596  33.123  3.9201 31.608  4.2655 1.515461       5.793251 
1 1 1 26 4  15 o 59.967  1.8734 28.391   1.7612  28.085   2.5374  28.676   2.4465  59.405  2.7246 60.069  2.5981 -0.6633720     3.764786 
1 1 1 26 4  16 f 65.924  1.7122 34.275   1.7695  31.696   2.6863  36.252   2.3518  63.103  2.7155 67.658  2.2174 -4.555325      3.505790 
1 1 1 26 4  17 o 33.382  2.5849 8.9104   1.3421  10.677   2.1246  7.7372   1.7314  36.169  3.8040 30.781  3.6597 5.388037       5.278620 
1 1 1 26 4  18 o 41.973  2.2005 13.993   1.4429  15.406   2.2115  12.946   1.9041  43.716  3.2502 40.124  3.0499 3.592121       4.457077 
1 1 1 26 4  19 o 25.081  3.2771 5.1287   1.2577  4.3306   1.9595  5.6879   1.6402  22.311  5.6085 26.156  4.1378 -3.845322      6.969715 
1 1 1 26 4  20 o 83.784  1.4662 55.297   1.9258  54.674   2.7944  55.862   2.6577  83.076  2.1456 84.025  2.0177 -0.9490433     2.945294 
1 1 1 26 4  21 o 53.920  1.7424 22.954   1.4728  23.927   2.1323  22.066   2.0368  54.850  2.4798 52.678  2.4664 2.171429       3.497474 
1 1 1 26 4  22 o 34.787  2.3684 9.6584   1.2839  7.9872   1.8555  11.193   1.7784  31.137  3.8859 37.243  3.0735 -6.105394      4.954488 
1 1 1 26 4  23 o 9.2674  4.0719 -0.2154  1.1407  0.2723   1.6432  -0.6689  1.5847  12.004  5.0741 10.270  4.6355 1.734203       6.872742 
1 1 1 26 4  24 o 32.305  2.5293 8.3652   1.2707  9.6897   1.8310  7.1345   1.7649  34.478  3.4332 29.354  3.9344 5.124405       5.221707 
1 1 1 26 4  25 o 32.937  2.4234 8.6825   1.2425  9.1463   1.7122  8.1666   1.8059  33.522  3.3010 31.497  3.7298 2.024906       4.980712 
1 1 1 26 4  26 o 53.967  1.7320 23.021   1.4653  25.109   2.0708  20.927   2.0738  56.165  2.3519 51.127  2.5958 5.037956       3.502831 
1 1 1 26 4  27 o 30.162  2.6367 7.3266   1.2342  6.8397   1.7027  7.8655   1.7914  28.692  3.8856 30.841  3.7847 -2.149290      5.424202 
1 1 1 26 4  28 o 28.304  2.7003 6.4717   1.1836  4.8051   1.6101  8.4314   1.7460  23.715  4.4954 32.025  3.5367 -8.310364      5.719822 
1 1 1 26 4  29 o 28.585  2.7109 6.6071   1.2003  6.4846   1.6904  6.7317   1.7046  27.837  3.9875 28.393  3.9355 -0.5565624     5.602547 
1 1 1 26 4  30 o 17.228  4.2272 2.5540   1.1331  3.0949   1.5878  1.9927   1.6176  18.738  5.2143 15.643  5.4142 3.095854       7.516850 
1 1 1 26 4  31 o 9.7760  4.1798 0.0810   1.1373  0.1264   1.6171  0.0365   1.5999  11.527  4.9576 11.319  4.8995 0.2079411      6.970201 
1 1 1 26 4  32 o 27.703  2.9423 6.2646   1.2583  4.5943   1.7874  7.9052   1.7715  22.778  5.1291 30.802  3.7459 -8.023859      6.351367 
1 1 1 26 4  33 o 24.092  3.4632 4.8363   1.2704  5.7113   1.6603  3.6005   1.9732  25.865  4.2419 19.880  5.9028 5.984770       7.268882 
1 1 1 26 4  34 o 35.769  2.3549 10.289   1.3131  9.5620   1.8045  11.106   1.9143  34.000  3.4325 36.700  3.3648 -2.700748      4.806669 
1 1 1 26 4  35 o 9.8944  4.2191 0.1382   1.1531  0.3996   1.5903  -0.1515  1.6745  11.835  4.9964 11.148  4.9146 0.6863289      7.008437 
1 1 1 26 4  36 o 35.341  2.5189 10.106   1.3864  8.8521   2.0214  11.220   1.9053  32.257  4.0891 36.826  3.3365 -4.568905      5.277574 
1 1 1 26 4  37 o 22.975  3.8046 4.5014   1.3224  4.7044   2.0083  4.3461   1.7570  22.493  5.6910 21.864  5.2016 0.6284828      7.710046 
1 1 1 26 4  38 o 34.753  2.6209 9.8249   1.4174  11.372   1.9607  8.1313   2.0513  36.944  3.4243 30.607  4.4017 6.336964       5.576836 
1 1 1 26 4  39 o 49.727  2.0494 19.784   1.5976  17.378   2.1822  22.563   2.3452  45.957  3.0462 52.535  2.8584 -6.577141      4.177279 
1 1 1 26 4  40 o 29.950  3.2790 7.4903   1.5144  8.5819   2.0383  6.1453   2.2625  31.467  4.2399 25.515  5.7892 5.951967       7.175738 
1 1 1 26 4  41 o 24.466  4.0271 5.1921   1.4908  3.8794   1.9078  7.2511   2.3892  20.168  5.7523 27.811  5.6723 -7.642643      8.078608 
1 1 1 26 4  42 o 24.200  3.9132 5.0670   1.4339  3.0697   2.0023  7.1692   2.0543  17.983  6.0280 28.253  4.8106 -10.26999      7.712230 
1 1 1 26 4  43 o 7.7567  3.7080 -1.4757  1.2712  0.5787   1.9436  -3.0115  1.6805  12.784  5.4651 7.9140  3.8904 4.870244       6.708341 
1 1 1 26 4  44 o 23.423  3.7763 4.7403   1.3395  5.1885   1.9140  4.3101   1.8752  23.530  5.3143 21.232  5.5659 2.298275       7.695528 
1 1 1 26 4  45 o 16.216  4.7827 2.4088   1.2989  2.6437   1.9663  2.2269   1.7301  16.834  5.9591 15.736  5.5877 1.097911       8.169033 
1 1 1 26 4  46 o 50.095  2.1231 20.208   1.6673  19.432   2.5136  20.818   2.2279  48.081  3.3559 50.252  2.8397 -2.170555      4.396122 
1 1 1 26 4  47 o 35.869  2.5370 10.537   1.4174  11.013   2.0302  10.083   1.9797  35.870  3.6617 34.241  3.7493 1.628220       5.240800 
1 1 1 26 4  48 o 19.484  4.5107 3.4743   1.3505  2.2000   1.9449  4.6610   1.8769  15.660  5.8667 21.961  5.4717 -6.301016      8.022334 
1 1 1 26 4  49 o 30.899  2.9692 7.9914   1.4206  9.3476   2.1141  6.8748   1.9182  32.412  4.2642 27.466  4.6188 4.945457       6.286215 
1 1 1 26 4  50 o 8.8429  4.0691 -0.6278  1.2986  2.5592   1.8837  -3.5144  1.7928  16.273  5.8249 7.8400  3.8843 8.433443       7.001272 
1 1 1 26 4  51 o 37.008  2.5568 11.313   1.4743  12.703   2.1379  10.052   2.0357  38.295  3.6036 33.749  3.9207 4.545662       5.325227 
1 1 1 26 4  52 o 19.490  4.5559 3.5799   1.3670  3.0944   1.9868  4.0164   1.8839  17.254  5.9988 19.715  5.7443 -2.461374      8.305564 
1 1 1 26 4  53 o 30.298  3.1655 7.8807   1.4813  8.2140   2.0795  7.5373   2.1107  29.566  4.6392 27.939  5.0027 1.626781       6.822659 
1 1 1 26 5  0  o 31.639  4.0453 8.3199   1.9167  8.3199   1.9167  8.3199   1.9167  31.639  4.0453 31.639  4.0453 0.000000       0.000000 
1 1 1 26 5  1  o 32.565  2.4847 8.4681   1.2589  7.4460   1.7860  9.4772   1.7747  30.123  3.8718 34.215  3.3517 -4.091516      5.120955 
1 1 1 26 5  2  o 74.079  1.5341 43.229   1.7815  42.768   2.5122  43.697   2.5268  73.496  2.1804 74.293  2.1695 -0.7975769     3.075888 
1 1 1 26 5  3  o 62.632  1.6682 30.931   1.6379  29.088   2.3569  32.652   2.2778  60.521  2.4841 64.193  2.2635 -3.671467      3.360733 
1 1 1 26 5  4  o 19.724  3.9496 3.2537   1.1787  2.7294   1.6400  3.8139   1.6951  17.954  5.3929 21.066  5.1712 -3.112225      7.471641 
1 1 1 26 5  5  o 33.809  2.3530 9.1088   1.2394  10.288   1.7636  7.9580   1.7421  35.709  3.1838 31.233  3.6254 4.476074       4.824979 
1 1 1 26 5  6  o 19.295  3.9711 3.1195   1.1611  3.7063   1.6301  2.5151   1.6543  20.785  5.0522 17.350  5.4554 3.434732       7.435436 
1 1 1 26 5  7  o 51.659  1.7513 21.058   1.4183  21.395   2.0130  20.725   1.9985  51.899  2.4742 51.074  2.4960 0.8251801      3.514528 
1 1 1 26 5  8  o 40.788  2.0298 13.159   1.2979  13.730   1.8480  12.603   1.8233  41.385  2.8662 39.614  2.9573 1.770264       4.118281 
1 1 1 26 5  9  o 36.651  2.2370 10.685   1.2791  8.7163   1.7803  12.786   1.8391  32.722  3.5261 39.896  2.9616 -7.173790      4.604874 
1 1 1 26 5  10 o 11.934  4.4780 0.9096   1.1339  0.0071   1.5695  1.8948   1.6400  11.328  4.8783 15.642  5.4495 -4.313692      7.314031 
1 1 1 26 5  11 o 69.344  1.5152 37.889   1.6472  36.398   2.2833  39.507   2.3785  67.787  2.1486 70.622  2.1484 -2.835648      3.038436 
1 1 1 26 5  12 f 7.8504  3.6556 -0.9450  1.0955  -1.7627  1.5467  -0.1220  1.5518  8.7751  4.1651 11.034  4.8009 -2.259356      6.355810 
1 1 1 26 5  13 o 39.266  2.1171 12.248   1.2984  12.998   1.8780  11.561   1.7971  40.191  3.0024 37.875  3.0526 2.316010       4.281709 
1 1 1 26 5  14 o 39.087  2.1894 12.150   1.3362  12.895   2.0153  11.566   1.7849  39.934  3.2474 37.883  3.0308 2.050854       4.441993 
1 1 1 26 5  15 o 46.212  1.9490 16.896   1.4119  16.345   2.0423  17.399   1.9541  45.112  2.9033 46.630  2.6846 -1.517883      3.954216 
1 1 1 26 5  16 o 56.716  1.7462 25.407   1.5526  27.435   2.3099  23.736   2.0969  58.699  2.5102 54.619  2.4489 4.080288       3.506926 
1 1 1 26 5  17 o 93.589  1.4961 69.051   2.1950  73.258   3.2715  65.606   2.9602  96.094  2.1716 90.985  2.0754 5.109695       3.003888 
1 1 1 26 5  18 o 14.645  4.8751 1.7276   1.3099  3.5946   1.8746  -0.0539  1.8312  20.244  5.6773 12.017  5.2219 8.226125       7.713564 
1 1 1 26 5  19 o 42.353  2.2660 14.294   1.4991  14.443   1.9809  14.096   2.2933  42.313  3.0059 41.567  3.5535 0.7456779      4.654339 
1 1 1 26 5  20 o 52.544  1.9991 21.880   1.6466  19.640   2.1853  24.823   2.5046  49.433  2.8317 55.567  2.8851 -6.133659      4.042603 
1 1 1 26 5  21 o 65.265  1.7316 33.674   1.7716  32.137   2.2617  36.116   2.8501  63.564  2.2697 67.180  2.7063 -3.615227      3.532054 
1 1 1 26 5  22 o 11.279  4.4894 0.6308   1.1905  -0.3414  1.5048  2.2578   1.9466  10.430  4.6252 16.765  5.9298 -6.335172      7.520316 
1 1 1 26 5  23 o 17.380  4.6609 2.6116   1.2960  2.5452   1.5782  2.7491   2.2714  17.190  5.3159 18.173  6.4078 -0.9836388     8.325754 
1 1 1 26 5  24 o 21.490  4.0779 3.9163   1.3236  4.0342   1.7704  3.7668   1.9928  21.366  5.3091 20.508  5.8888 0.8581905      7.928747 
1 1 1 26 5  25 o 25.789  3.3626 5.4842   1.3271  5.1892   1.8381  5.8055   1.9180  24.402  4.9737 25.877  4.9075 -1.475002      6.987205 
1 1 1 26 5  26 o 38.695  2.2882 11.983   1.3818  11.507   2.0173  12.403   1.8967  37.417  3.4790 39.029  3.1262 -1.611229      4.677246 
1 1 1 26 5  27 o 19.566  4.0408 3.2726   1.1984  2.9259   1.7007  3.6145   1.6889  18.179  5.4990 20.143  5.2830 -1.963188      7.625533 
1 1 1 26 5  28 o 16.530  4.6486 2.3814   1.2550  -0.2295  1.9219  4.3224   1.6571  11.858  5.2443 22.167  4.8991 -10.30916      7.176620 
1 1 1 26 5  29 o 11.784  4.6347 0.7979   1.2549  -1.7548  1.9963  2.4656   1.6136  10.230  4.8182 16.806  5.3993 -6.576122      7.236577 
1 1 1 26 5  30 o 12.828  4.6791 1.2248   1.2228  0.7201   1.8752  1.5982   1.6129  13.199  5.4887 14.494  5.3597 -1.295410      7.671523 
1 1 1 26 5  31 o 8.4086  3.8736 -0.7544  1.1813  0.1008   1.7442  -1.4790  1.6055  11.761  5.1035 9.1524  4.3138 2.609007       6.682377 
1 1 1 26 5  32 o 17.620  4.6445 2.7541   1.3011  3.6462   2.0803  2.1810   1.6674  19.770  6.1015 15.950  5.4984 3.820287       8.213445 
1 1 1 26 5  33 o 13.946  4.9376 1.5758   1.3500  -1.0315  1.9037  4.2132   1.9147  10.627  4.9032 21.309  5.6425 -10.68252      7.475297 
1 1 1 26 5  34 o 19.861  5.0832 3.5892   1.5893  3.1039   2.1079  4.2285   2.4193  18.316  6.1847 20.865  6.6017 -2.548754      9.046138 
1 1 1 26 5  35 o 39.918  2.9618 13.088   1.8402  9.6145   2.7595  15.869   2.4694  32.313  5.6535 43.470  3.6577 -11.15614      6.733564 
1 1 1 26 5  36 o 18.927  5.2401 3.3101   1.6079  3.5114   2.3404  3.1301   2.2126  19.116  6.5165 18.263  6.3317 0.8536930      9.086001 
1 1 1 26 5  37 o 13.176  4.8892 1.3407   1.3444  3.1161   1.9262  -0.3456  1.8773  18.172  5.9052 11.304  5.0790 6.867904       7.788951 
1 1 1 26 5  38 o 35.197  2.5912 10.112   1.4197  9.6317   2.1432  10.488   1.8951  33.310  4.1974 35.307  3.4686 -1.997120      5.445123 
1 1 1 26 5  39 o 20.492  4.1247 3.7025   1.2792  4.8767   1.8749  2.6799   1.7497  22.825  5.3354 16.973  5.6335 5.852039       7.759047 
1 1 1 26 5  40 o 14.808  4.8173 1.9560   1.2817  2.7953   1.9126  1.2718   1.7268  17.229  5.8908 13.588  5.4073 3.640300       7.996287 
1 1 1 26 5  41 o 21.554  4.0825 4.0953   1.3290  5.0779   1.9733  3.2796   1.7978  23.082  5.5266 18.473  5.6673 4.608932       7.915913 
1 1 1 26 5  42 o 10.312  4.4184 0.2246   1.2757  -2.0688  1.8499  2.3045   1.7616  9.2135  4.4226 15.914  5.6397 -6.700416      7.166936 
1 1 1 26 5  43 o 21.199  4.0518 3.9725   1.2974  2.3694   1.8458  5.5381   1.8241  16.075  5.7647 24.523  4.9160 -8.447693      7.576250 
1 1 1 26 5  44 o 15.553  4.8868 2.2264   1.3277  3.5648   1.9558  1.0822   1.8082  18.971  5.9262 13.245  5.4373 5.725175       8.042639 
1 1 1 26 5  45 o 32.510  2.9019 8.7978   1.4634  7.3741   2.2709  9.8089   1.9138  27.868  5.3930 33.767  3.6746 -5.898941      6.525864 
1 1 1 26 5  46 o 25.771  3.5324 5.7226   1.3895  4.0420   2.0206  7.2304   1.9139  19.977  5.9828 28.308  4.4604 -8.331642      7.462508 
1 1 1 26 5  47 o 32.649  2.9581 8.9336   1.4976  8.1973   2.0723  9.7386   2.1668  30.016  4.5464 32.985  4.2921 -2.969528      6.252303 
1 1 1 26 5  48 o 10.939  4.6160 0.5005   1.3562  1.7507   1.9299  -0.7195  1.9064  14.469  5.7293 10.597  4.8955 3.871955       7.535969 
1 1 1 26 5  49 o 10.711  4.6272 0.3184   1.4211  -0.2826  1.9381  1.0173   2.0899  11.145  5.0686 13.291  5.6740 -2.145724      7.608223 
1 1 1 26 5  50 o 23.488  4.2710 5.0758   1.5147  3.3443   2.0311  7.2452   2.2735  17.711  6.0705 26.837  5.5857 -9.125624      8.249331 
1 1 1 26 5  51 o 22.361  4.2001 4.6265   1.4183  2.7110   1.9567  6.7466   2.0586  16.119  5.9130 26.095  5.2147 -9.975691      7.883976 
1 1 1 26 6  0  o 23.937  5.2866 5.1898   1.7351  5.1898   1.7351  5.1898   1.7351  23.937  5.2866 23.937  5.2866 0.000000       0.000000 
1 1 1 26 6  1  o 21.388  3.8801 3.8255   1.2531  3.3676   1.9617  4.1412   1.6287  19.659  5.8967 21.947  4.8618 -2.288195      7.642495 
1 1 1 26 6  2  o 35.089  2.5259 9.8565   1.3801  10.655   2.1236  9.2725   1.8159  36.025  3.8184 33.711  3.4866 2.313931       5.170717 
1 1 1 26 6  3  o 55.427  1.7301 24.266   1.5033  23.422   2.1463  25.078   2.1064  54.222  2.5250 56.152  2.3928 -1.930798      3.478682 
1 1 1 26 6  4  o 61.674  1.7031 30.038   1.6466  29.025   2.2371  31.237   2.4326  60.418  2.3619 62.633  2.4774 -2.215317      3.422915 
1 1 1 26 6  5  o 12.359  4.4454 1.0975   1.0984  0.2376   1.5346  2.0008   1.5729  11.585  4.9006 15.760  5.3423 -4.174891      7.249569 
1 1 1 26 6  6  o 18.805  4.0485 2.9913   1.1582  4.0676   1.6296  1.8928   1.6464  21.720  4.9023 15.566  5.4580 6.154354       7.336382 
1 1 1 26 6  7  o 44.316  1.9355 15.546   1.3446  15.896   1.9038  15.198   1.8994  44.513  2.7416 43.501  2.8001 1.012226       3.918767 
1 1 1 26 6  8  o 40.368  2.1166 12.960   1.3348  12.095   1.8761  13.846   1.8995  38.666  3.1218 41.456  2.9418 -2.790302      4.289477 
1 1 1 26 6  9  o 24.039  3.1709 4.7253   1.1658  5.4008   1.6312  4.0200   1.6667  25.341  4.2569 21.531  5.0289 3.810474       6.588718 
1 1 1 26 6  10 o 37.510  2.1878 11.209   1.2809  9.7517   1.7513  12.886   1.8784  34.631  3.2644 39.944  3.0221 -5.313278      4.448484 
1 1 1 26 6  11 o 26.779  2.9294 5.8178   1.2097  6.1070   1.6701  5.4986   1.7546  27.042  4.0655 25.434  4.5684 1.607544       6.115422 
1 1 1 26 6  12 o 40.369  2.1266 12.971   1.3411  12.942   1.8606  13.002   1.9346  40.031  2.9864 40.077  3.1035 -0.4606628E-01 4.307011 
1 1 1 26 6  13 o 34.133  2.5278 9.3476   1.3430  9.5724   1.9906  9.1598   1.8195  34.067  3.7916 33.428  3.5252 0.6382446      5.177180 
1 1 1 26 6  14 o 68.973  1.5775 37.561   1.7058  39.931   2.4467  35.320   2.3793  70.874  2.2021 66.623  2.2781 4.250725       3.168471 
1 1 1 26 6  15 o 11.676  4.4519 0.8495   1.1314  1.4281   1.5766  0.2351   1.6246  14.208  5.2901 11.808  5.0208 2.399590       7.293412 
1 1 1 26 6  16 o 41.670  2.0425 13.784   1.3343  13.632   1.8427  13.951   1.9346  41.094  2.8785 41.526  2.9918 -0.4312782     4.151715 
1 1 1 26 6  17 o 24.072  3.5305 4.8053   1.2927  2.6193   1.8204  7.0288   1.8360  17.493  5.7435 28.924  4.1695 -11.43061      7.097327 
1 1 1 26 6  18 o 81.892  1.4993 52.944   1.9248  53.361   2.7189  52.525   2.7251  81.923  2.1171 81.267  2.1390 0.6560135      3.009582 
1 1 1 26 6  19 o 20.268  4.1286 3.5061   1.2672  4.5162   1.7178  2.2998   1.8771  22.726  4.9607 16.695  5.8294 6.030909       7.654477 
1 1 1 26 6  20 o 7.7745  3.6464 -1.0464  1.1227  -1.8317  1.5638  -0.2113  1.6127  8.6831  4.1402 10.957  4.8272 -2.274045      6.359473 
1 1 1 26 6  21 o 51.518  1.8083 21.040   1.4604  20.133   2.0006  22.075   2.1368  50.054  2.5581 52.457  2.5985 -2.402431      3.646382 
1 1 1 26 6  22 o 50.970  1.8475 20.613   1.4763  19.527   2.0252  21.843   2.1565  49.239  2.6331 52.076  2.6503 -2.836624      3.735950 
1 1 1 26 6  23 f 22.593  3.8002 4.3097   1.2982  3.7909   1.7465  4.9502   1.9406  20.547  5.3643 23.508  5.3819 -2.960812      7.598738 
1 1 1 26 6  24 o 14.899  4.6887 1.8964   1.2218  3.2682   1.7662  0.6378   1.6918  19.035  5.5667 12.610  5.2261 6.424306       7.635458 
1 1 1 26 6  25 o 29.449  2.7363 7.0533   1.2488  8.0909   1.7657  6.0149   1.7664  31.118  3.6915 26.422  4.4208 4.696646       5.759434 
1 1 1 26 6  26 o 37.333  2.3856 11.222   1.3889  12.769   2.0430  9.8926   1.8939  39.346  3.3438 34.489  3.5538 4.857044       4.879580 
1 1 1 26 6  27 o 31.521  2.9478 8.1379   1.4397  9.8726   2.1421  6.7088   1.9443  34.106  4.0879 27.738  4.6348 6.367174       6.180012 
1 1 1 26 6  28 o 11.725  4.7994 0.6302   1.4038  1.0808   1.8438  0.0088   2.1654  13.701  5.5403 12.704  5.5952 0.9966373      7.874144 
1 1 1 26 6  29 o 16.581  5.3065 2.4573   1.5597  0.6854   1.9463  5.6367   2.6073  13.172  5.5426 23.985  6.6845 -10.81239      8.683458 
1 1 1 26 6  30 o 7.7638  3.7871 -2.4536  1.5018  -2.2105  1.8822  -2.8795  2.4912  9.3149  4.4685 10.575  5.0903 -1.259695      6.773399 
1 1 1 26 6  31 o 8.3930  3.9969 -1.5724  1.4480  -0.7986  1.9493  -2.5250  2.1628  10.977  5.0269 9.8983  4.7593 1.078990       6.922442 
1 1 1 26 6  32 o 27.680  3.5228 6.4689   1.4940  4.6896   1.9798  8.8222   2.2769  22.293  5.6561 31.538  4.7527 -9.245583      7.387807 
1 1 1 26 6  33 o 32.238  3.0337 8.6078   1.5152  8.6445   2.0214  8.5608   2.2890  31.574  4.1872 30.909  4.8865 0.6657467      6.435047 
1 1 1 26 6  34 f 10.087  4.4752 -0.1766  1.4101  -0.2883  1.8063  -0.0025  2.2562  11.149  4.9975 12.688  5.6435 -1.539493      7.538193 
1 1 1 26 6  35 o 23.762  3.8260 4.8795   1.3768  3.4000   2.0006  6.2107   1.8977  18.744  6.0111 26.228  4.7919 -7.484068      7.687383 
1 1 1 26 6  36 o 30.811  3.1794 7.9443   1.5136  9.0293   2.3910  7.2187   1.9553  31.501  5.0095 28.470  4.5331 3.031748       6.756049 
1 1 1 26 6  37 o 22.857  4.2470 4.6358   1.4658  4.4639   2.1579  4.7830   1.9973  21.168  6.1423 22.240  5.7018 -1.072458      8.380835 
1 1 1 26 6  38 o 12.940  5.0689 1.1920   1.4957  -0.7117  2.1727  2.9068   2.0621  11.512  5.2849 17.404  6.1081 -5.891338      8.077038 
1 1 1 26 6  39 o 14.667  5.1855 1.8962   1.4885  7.2357   2.4797  -1.1113  1.8610  27.173  5.9830 10.186  4.7502 16.98776       7.639442 
1 1 1 26 6  40 o 30.858  3.3790 8.0770   1.6079  4.5516   2.5091  10.533   2.0944  20.804  6.7381 34.861  3.8992 -14.05668      7.784915 
1 1 1 26 6  41 f 21.097  4.8432 4.1394   1.5679  5.0491   2.5358  3.5764   1.9950  21.819  6.7369 18.916  5.9959 2.903320       9.018686 
1 1 1 26 6  42 o 25.279  4.1880 5.6901   1.6015  7.3349   2.5753  4.6528   2.0451  26.943  6.2227 21.562  5.8855 5.380676       8.565122 
1 1 1 26 6  43 o 33.392  2.9995 9.3435   1.5534  5.9911   2.2763  12.266   2.1252  24.383  5.9966 37.740  3.6371 -13.35725      7.013418 
1 1 1 26 6  44 o 25.774  3.9694 5.8828   1.5524  8.7758   2.5242  4.1229   1.9687  30.063  5.5607 20.131  5.8741 9.931803       8.088621 
1 1 1 26 6  45 o 27.033  3.7325 6.4072   1.5396  5.6700   2.2526  7.0536   2.1092  23.395  6.0846 27.181  5.1381 -3.786694      7.963781 
1 1 1 26 6  46 o 45.340  2.3001 16.826   1.6295  16.818   2.3074  16.835   2.3016  44.300  3.3472 44.336  3.3359 -0.3601837E-01 4.725667 
1 1 1 26 6  47 o 23.902  3.9964 5.1578   1.4446  4.6139   2.0571  5.6870   2.0291  20.849  5.9820 23.714  5.5556 -2.864550      8.163855 
1 1 1 26 6  48 o 7.4962  3.6521 -1.9890  1.3847  -3.3651  1.9884  -0.6935  1.9294  8.3965  4.1474 10.495  4.8752 -2.098909      6.400676 
1 1 1 26 6  49 o 14.789  5.1697 2.1738   1.4765  3.3829   1.9384  0.5029   2.2788  17.566  5.9308 12.535  5.6165 5.030895       8.168215 
1 1 1 26 7  0  o 8.0504  5.2830 -0.1818  1.6729  -0.1818  1.6729  -0.1818  1.6729  8.0504  5.2830 8.0504  5.2830 0.000000       0.000000 
1 1 1 26 7  1  o 42.703  2.2177 14.551   1.4795  13.530   2.3338  15.237   1.9130  40.532  3.7142 43.466  2.8228 -2.933468      4.665132 
1 1 1 26 7  2  o 37.370  2.2854 11.165   1.3325  11.504   1.8916  10.832   1.8773  37.569  3.2436 36.411  3.3255 1.158020       4.645427 
1 1 1 26 7  3  o 31.210  2.6878 7.8624   1.3022  6.7346   1.8568  8.9541   1.8269  28.220  4.3358 32.964  3.5934 -4.743452      5.631299 
1 1 1 26 7  4  o 19.736  3.9417 3.3023   1.1769  5.4084   1.7370  1.5149   1.6001  25.126  4.5785 14.427  5.3378 10.69840       7.032430 
1 1 1 26 7  5  o 33.600  2.4842 9.0693   1.2992  11.211   1.8518  6.9935   1.8233  37.086  3.2171 28.843  4.1520 8.242682       5.252541 
1 1 1 26 7  6  o 45.085  1.9942 16.136   1.4095  15.904   1.9937  16.368   1.9929  44.371  2.8818 45.037  2.8373 -0.6658249     4.044098 
1 1 1 26 7  7  o 28.176  2.9033 6.4540   1.2640  7.6843   1.7929  5.2381   1.7824  30.383  3.8505 24.605  4.7932 5.778326       6.148252 
1 1 1 26 7  8  o 52.053  1.8553 21.477   1.5140  21.395   2.1288  21.562   2.1537  51.596  2.6407 51.787  2.6618 -0.1918373     3.749439 
1 1 1 26 7  9  o 36.441  2.2980 10.630   1.3061  11.203   1.8898  10.107   1.8071  37.016  3.2910 35.134  3.3203 1.882656       4.674946 
1 1 1 26 7  10 f 31.983  2.5885 8.2479   1.2867  7.9879   1.7912  8.5251   1.8495  31.001  3.7628 32.043  3.7530 -1.042377      5.314460 
1 1 1 26 7  11 o 40.269  2.1347 12.943   1.3428  10.985   1.8211  15.275   1.9878  36.677  3.1993 43.419  2.9376 -6.742069      4.343416 
1 1 1 26 7  12 o 12.165  4.6786 0.9298   1.2563  -0.1547  1.8249  1.9070   1.7322  11.706  5.1466 15.526  5.5827 -3.820210      7.593029 
1 1 1 26 7  13 o 10.255  4.3082 0.2456   1.1729  -2.3043  1.6305  2.9804   1.6886  8.4639  4.0853 18.326  5.4650 -9.861927      6.823173 
1 1 1 26 7  14 o 23.621  3.3756 4.6315   1.2144  5.2406   1.6929  3.9856   1.7431  24.642  4.5498 21.129  5.2780 3.513807       6.968341 
1 1 1 26 7  15 o 23.954  3.3838 4.7653   1.2353  5.3185   1.7455  4.2104   1.7483  24.754  4.6693 21.735  5.2006 3.018476       6.989199 
1 1 1 26 7  16 o 30.343  2.6418 7.4567   1.2441  7.6586   1.7381  7.2445   1.7816  30.282  3.7408 29.326  3.9781 0.9563961      5.460631 
1 1 1 26 7  17 o 12.228  4.5577 1.0469   1.1709  1.0887   1.6077  0.9998   1.7086  13.325  5.2442 13.364  5.3582 -0.3898716E-01 7.497460 
1 1 1 26 7  18 f 23.313  3.4866 4.5460   1.2351  4.4874   1.7186  4.6085   1.7762  22.475  5.0060 22.733  5.1086 -0.2574425     7.152496 
1 1 1 26 7  19 o 7.1540  3.4759 -1.9686  1.2311  -1.2375  1.6489  -2.8894  1.8505  9.5939  4.4733 8.7086  4.2382 0.8853569      6.162165 
1 1 1 26 7  20 o 18.450  4.7238 3.0197   1.3722  4.3441   2.0417  1.9289   1.8530  21.643  5.8694 15.568  5.7473 6.074712       8.214746 
1 1 1 26 7  21 o 64.075  1.9697 32.715   1.9785  32.721   2.8031  32.710   2.7931  63.543  2.8139 63.540  2.8041 0.3463745E-02  3.972532 
1 1 1 26 7  22 o 12.804  4.9484 1.0925   1.4107  1.3739   1.9533  0.7857   2.0394  14.489  5.7556 13.592  5.6941 0.8961058      8.096231 
1 1 1 26 7  23 o 31.204  3.5089 8.1418   1.6867  11.845   2.4067  4.5669   2.3646  37.232  4.1966 21.758  6.4620 15.47388       7.705131 
1 1 1 26 7  24 o 25.675  3.9349 5.6400   1.5333  8.0332   2.0767  2.7719   2.2734  30.367  4.4984 17.636  6.3881 12.73120       7.813033 
1 1 1 26 7  25 o 11.684  4.7026 0.7377   1.3215  0.5686   1.9444  0.8829   1.8017  12.921  5.4933 13.147  5.4157 -0.2258673     7.713995 
1 1 1 26 7  26 o 40.357  2.2691 13.134   1.4297  14.827   2.1729  11.841   1.8986  42.240  3.3079 37.769  3.2379 4.471375       4.628839 
1 1 1 26 7  27 o 32.112  2.7086 8.4420   1.3508  8.0957   1.9224  8.7799   1.8985  30.629  4.1072 32.083  3.8518 -1.454258      5.630721 
1 1 1 26 7  28 o 26.598  3.2123 5.9194   1.3123  7.2388   1.9372  4.8005   1.7840  28.678  4.4534 22.859  5.1070 5.819681       6.775993 
1 1 1 26 7  29 o 31.106  2.9024 7.9934   1.3990  9.1821   1.9687  6.7809   1.9883  32.702  3.9182 27.471  4.7911 5.231085       6.189275 
1 1 1 26 7  30 o 24.398  3.5774 5.0830   1.3276  4.9059   1.8614  5.2665   1.8942  22.914  5.2890 23.814  5.2180 -0.8999481     7.429770 
1 1 1 26 7  31 o 17.006  4.6753 2.6418   1.2851  2.2111   1.7736  3.1178   1.8646  15.750  5.6505 18.038  5.8051 -2.288007      8.101109 
1 1 1 26 7  32 o 18.374  4.7969 3.1139   1.3966  4.0814   1.8945  1.9625   2.0668  20.528  5.6898 15.421  5.9813 5.106777       8.255298 
1 1 1 26 7  33 o 9.7141  4.2897 -0.1010  1.2811  -2.0507  1.7355  2.2333   1.8989  8.8535  4.2585 15.811  5.8213 -6.957565      7.212651 
1 1 1 26 7  34 o 31.307  3.6215 8.3899   1.7445  9.2016   2.4847  7.6006   2.4500  31.480  5.2175 28.080  5.7590 3.399921       7.770997 
1 1 1 26 7  35 o 8.0169  3.8054 -1.2840  1.2916  -0.9527  1.8062  -1.6306  1.8477  10.185  4.7262 9.5866  4.5508 0.5981159      6.561011 
1 1 1 26 7  36 o 33.979  2.9914 9.6337   1.5772  9.7652   2.1298  9.4741   2.3469  33.300  4.1714 32.262  4.7853 1.038033       6.348186 
1 1 1 26 7  37 o 13.901  5.0409 1.6584   1.4162  1.8515   1.8893  1.4107   2.1398  14.843  5.7293 14.320  5.9008 0.5224895      8.224640 
1 1 1 26 7  38 o 29.949  3.3468 7.6320   1.5444  7.4630   2.0034  7.8796   2.4247  28.652  4.6172 28.550  5.6175 0.1020203      7.271549 
1 1 1 26 7  39 o 19.580  4.7784 3.5930   1.4538  3.7824   1.9613  3.3620   2.1659  19.341  5.9170 18.154  6.2661 1.187479       8.618301 
1 1 1 26 7  40 o 63.446  1.9761 32.435   1.9655  34.033   2.6893  30.602   2.8796  64.274  2.6690 60.443  3.0489 3.831623       4.052097 
1 1 1 26 7  41 o 10.013  4.5006 -0.2278  1.4757  -0.9416  1.9648  0.6961   2.2353  10.513  4.8954 13.169  5.7451 -2.655995      7.547915 
1 1 1 26 7  42 o 19.215  4.9584 3.5615   1.5037  4.0951   1.9877  2.8476   2.2992  19.854  5.9311 16.769  6.3576 3.085497       8.694631 
1 1 1 26 7  43 o 21.078  4.8567 4.2616   1.5718  5.0156   2.4590  3.7407   2.0439  21.141  6.6516 18.756  6.0821 2.385565       9.013138 
1 1 1 26 7  44 o 37.015  3.1961 11.737   1.8365  11.399   2.4614  12.161   2.7582  34.971  4.6014 35.520  5.0996 -0.5490990     6.868698 
1 1 1 26 7  45 o 13.488  5.2581 1.5902   1.6035  3.8471   2.1041  -1.5367  2.4766  18.636  6.1775 10.942  5.2155 7.693279       8.084717 
1 1 1 26 7  46 o 32.891  3.4858 9.5321   1.7700  9.0664   2.3327  10.164   2.7173  30.323  5.0875 31.270  5.7552 -0.9473705     7.681479 
1 1 1 26 8  0  o 44.167  3.1395 15.736   2.1485  15.736   2.1485  15.736   2.1485  44.167  3.1395 44.167  3.1395 0.000000       0.000000 
1 1 1 26 8  1  o 9.1413  4.0773 -0.3291  1.1865  0.5616   1.7359  -1.1101  1.6255  12.571  5.2587 9.6792  4.4887 2.891986       6.913950 
1 1 1 26 8  2  o 29.073  2.9376 6.9099   1.3205  7.6115   1.9530  6.3189   1.7922  29.869  4.2944 27.139  4.3602 2.729601       6.119893 
1 1 1 26 8  3  o 45.972  2.0723 16.844   1.4934  13.297   1.9652  21.693   2.2976  40.312  3.1344 51.723  2.8446 -11.41163      4.232734 
1 1 1 26 8  4  o 14.859  4.6734 1.8906   1.2140  0.3519   1.6596  3.6616   1.7804  11.975  5.0826 20.091  5.4945 -8.116553      7.484820 
1 1 1 26 8  5  o 19.363  4.1801 3.2445   1.2317  2.1717   1.7118  4.3959   1.7735  16.047  5.5689 22.143  5.1981 -6.095324      7.617901 
1 1 1 26 8  6  o 47.195  1.9829 17.733   1.4671  14.742   2.0380  20.950   2.1135  42.471  3.0820 50.923  2.6567 -8.451824      4.069023 
1 1 1 26 8  7  f 14.667  4.6298 1.8403   1.1904  1.2414   1.6847  2.4374   1.6824  13.787  5.3854 16.705  5.5232 -2.917904      7.714110 
1 1 1 26 8  8  o 23.259  3.6625 4.5603   1.2912  4.7367   1.9289  4.4170   1.7381  22.838  5.4614 22.217  5.0986 0.6215858      7.471424 
1 1 1 26 8  9  o 57.555  1.8384 26.326   1.6587  29.531   2.5262  23.897   2.1992  60.502  2.6634 54.477  2.5752 6.025272       3.704760 
1 1 1 26 8  10 o 22.453  3.8254 4.2870   1.2982  2.6108   1.8784  5.8196   1.7962  17.213  5.8381 25.835  4.6037 -8.622105      7.434928 
1 1 1 26 8  11 o 13.619  4.9182 1.4447   1.3461  0.5195   2.0595  2.1347   1.7786  13.242  5.6423 15.950  5.6652 -2.708218      7.995625 
1 1 1 26 8  12 o 18.130  4.6633 2.9184   1.3329  1.9916   1.8693  3.8772   1.9013  15.693  5.7759 20.479  5.7084 -4.786243      8.120761 
1 1 1 26 8  13 o 37.624  2.6953 11.501   1.5792  11.095   2.1865  11.944   2.2833  36.262  3.9081 37.620  3.9295 -1.358974      5.542038 
1 1 1 26 8  14 o 42.527  2.5312 14.629   1.6799  13.068   2.3357  16.302   2.4180  39.411  3.8287 44.284  3.5118 -4.872868      5.195354 
1 1 1 26 8  15 o 39.928  2.6333 12.942   1.6390  14.986   2.3420  10.979   2.2945  42.395  3.5568 35.855  4.1593 6.539787       5.472732 
1 1 1 26 8  16 o 32.359  3.6760 8.8130   1.8317  6.9769   2.8029  10.182   2.4199  26.700  6.7056 34.150  4.6402 -7.449703      8.154552 
1 1 1 26 8  17 o 18.877  4.8248 3.2132   1.4332  2.6770   2.0124  3.7650   2.0416  17.263  6.0354 19.931  6.0239 -2.668261      8.527179 
1 1 1 26 8  18 f 17.852  4.9524 2.8922   1.4346  5.7163   2.1243  0.5245   1.9452  24.794  5.5979 12.845  5.4784 11.94976       7.832606 
1 1 1 26 8  19 o 42.827  2.6042 14.914   1.7401  15.739   2.3927  13.989   2.5352  43.340  3.5528 40.460  4.0514 2.880062       5.388550 
1 1 1 26 8  20 o 10.402  4.4599 0.1810   1.3013  -0.0514  1.8293  0.4191   1.8515  11.607  5.1258 12.399  5.3180 -0.7919426     7.386127 
1 1 1 26 8  21 o 11.157  4.6211 0.5245   1.3217  -0.4966  1.8295  1.6393   1.9115  10.963  4.9615 14.747  5.7432 -3.784093      7.589461 
1 1 1 26 8  22 o 50.141  2.0684 20.163   1.6259  19.386   2.2413  21.025   2.3621  48.517  2.9610 50.503  2.9970 -1.985428      4.212996 
1 1 1 26 8  23 o 51.551  2.1117 21.345   1.7065  19.559   2.2616  23.706   2.6005  48.694  2.9770 53.499  3.1142 -4.804871      4.308222 
1 1 1 26 8  24 o 42.532  2.4039 14.686   1.5963  14.998   2.1694  14.317   2.3574  42.355  3.2931 41.044  3.7036 1.311646       4.955932 
1 1 1 26 8  25 o 15.199  4.8737 2.0823   1.3152  1.3343   1.8261  2.8883   1.8957  13.875  5.5477 17.445  5.8651 -3.570600      8.073232 
1 1 1 26 8  26 o 11.514  4.6416 0.7589   1.2897  -0.0780  1.8058  1.6303   1.8426  11.379  5.0556 14.477  5.6384 -3.097550      7.573019 
1 1 1 26 8  27 o 40.655  2.4198 13.459   1.5353  12.945   2.1003  14.048   2.2498  39.121  3.4604 40.673  3.5643 -1.552574      4.967816 
1 1 1 26 8  28 o 37.363  2.7029 11.489   1.5725  13.933   2.1899  8.8876   2.2595  40.550  3.4785 31.346  4.7466 9.203810       5.884789 
1 1 1 26 8  29 o 22.575  4.1553 4.5277   1.4164  1.9095   1.8305  8.4341   2.2360  14.971  5.6735 30.395  4.8559 -15.42454      7.467824 
1 1 1 26 8  30 o 29.414  3.5450 7.4086   1.6017  8.3769   2.2941  6.4877   2.2373  30.094  5.0410 25.879  5.6712 4.214325       7.587772 
1 1 1 26 8  31 o 36.976  3.1149 11.464   1.7888  12.659   2.3419  9.7914   2.7713  38.110  3.9786 31.813  5.7693 6.297186       7.008182 
1 1 1 26 8  32 o 11.264  4.7988 0.4357   1.4893  0.0557   2.0702  0.8434   2.1442  12.102  5.3927 13.387  5.7318 -1.284529      7.869915 
1 1 1 26 8  33 o 25.360  4.8315 5.9541   1.8507  4.8491   2.9208  6.6953   2.3922  20.810  7.2713 25.857  6.0148 -5.046846      9.436628 
1 1 1 26 8  34 o 12.705  5.1905 1.0236   1.6380  -0.0392  2.1630  2.4526   2.5081  12.142  5.4538 16.393  6.5188 -4.251714      8.499331 
1 1 1 26 8  35 o 8.0952  3.8873 -1.6594  1.4324  -2.6745  1.9663  -0.5116  2.0909  8.9688  4.3657 11.370  5.2066 -2.401513      6.794677 
1 1 1 26 8  36 o 20.382  4.6973 3.8895   1.4701  5.0650   2.0966  2.7527   2.0618  22.319  5.9019 16.696  6.0781 5.622791       8.472029 
1 1 1 26 8  37 o 14.568  5.1254 1.9567   1.4525  0.9529   2.1771  2.7619   1.9499  13.422  5.7621 16.653  5.9299 -3.230261      8.268359 
1 1 1 26 8  38 o 42.067  2.4920 14.584   1.6361  14.642   2.3211  14.526   2.3065  41.039  3.6457 40.886  3.6365 0.1532173      5.149333 
1 1 1 26 8  39 o 10.170  4.4482 0.1436   1.3478  0.5825   1.9031  -0.2981  1.9091  12.247  5.3225 11.030  5.0218 1.216633       7.317623 
1 1 1 26 8  40 o 44.605  2.3928 16.389   1.6671  18.292   2.3560  14.480   2.3592  46.176  3.2759 40.522  3.7566 5.654705       4.984351 
1 1 1 26 8  41 o 20.515  4.4307 3.9669   1.3832  2.6638   1.9185  5.3777   1.9962  16.066  5.8608 22.842  5.6144 -6.775635      8.116083 
1 1 1 26 8  42 o 23.611  4.2110 5.1723   1.5015  6.3406   2.2547  4.2411   2.0128  24.340  5.9573 19.665  5.9899 4.674856       8.447963 
1 1 1 26 8  43 o 20.476  4.5477 4.0521   1.4218  4.5349   2.0616  3.6142   1.9634  20.125  6.0468 18.000  5.9675 2.124598       8.495574 
1 1 1 26 9  0  o 66.098  3.2745 35.155   3.3740  35.155   3.3740  35.155   3.3740  66.098  3.2745 66.098  3.2745 0.000000       0.000000 
1 1 1 26 9  1  o 30.370  3.6114 7.7760   1.6857  8.2031   2.2770  7.2580   2.5075  30.317  4.9626 27.766  5.9403 2.550926       7.740459 
1 1 1 26 9  2  o 12.707  5.1159 0.9331   1.5646  3.6391   2.1528  -2.0962  2.2778  19.518  6.2330 10.603  5.0391 8.914884       8.015163 
1 1 1 26 9  3  o 34.187  4.2569 10.086   2.2320  10.232   2.5240  9.5606   4.7809  33.971  4.8795 28.282  9.3088 5.689056       10.51015 
1 1 1 26 9  4  o 10.822  4.8721 -0.4303  1.7377  -1.0005  2.0426  1.0637   3.3063  11.015  5.0813 16.081  7.0022 -5.066013      8.651645 
1 1 1 26 9  5  o 15.417  5.6578 1.9816   1.7917  2.0941   2.2076  1.7646   3.0668  16.110  6.2004 16.626  6.9746 -0.5155315     9.332165 
1 1 1 26 9  6  o 29.313  5.2220 7.7943   2.3117  8.9035   3.0666  6.3343   3.5183  30.131  6.6685 24.186  7.9867 5.945595       10.40465 
1 1 1 26 9  7  o 34.835  4.2852 10.503   2.2908  9.5428   2.9335  12.004   3.6673  31.713  6.1224 34.798  6.9657 -3.084614      9.273857 
1 1 1 26 9  8  o 31.916  4.1546 8.7915   2.0294  8.4576   2.9488  9.0919   2.7973  29.387  6.5661 31.054  5.9629 -1.666458      8.869643 
1 1 1 26 9  9  o 17.202  5.4691 2.7241   1.6588  5.3379   2.4163  0.3942   2.2813  23.274  6.4160 13.347  5.8140 9.926164       8.658387 
1 1 1 26 9  10 o 16.302  5.4861 2.3981   1.6586  3.2900   2.3493  1.5119   2.3418  18.572  6.5194 15.158  6.2011 3.413088       8.997591 
1 1 1 26 9  11 o 30.323  3.5608 7.7733   1.6604  6.5284   2.5368  8.7064   2.1963  25.828  6.3174 31.393  4.5992 -5.565212      7.814243 
1 1 1 26 9  12 o 49.753  2.2959 19.953   1.7907  17.822   2.4969  22.211   2.5695  46.096  3.4810 51.757  3.1823 -5.660862      4.716363 
1 1 1 26 9  13 o 15.577  5.2264 2.1712   1.5052  3.1182   2.0784  1.1267   2.1828  18.096  6.1410 14.196  5.9142 3.900183       8.525772 
1 1 1 26 9  14 o 44.596  2.4445 16.149   1.7025  17.924   2.5019  14.619   2.3233  46.184  3.4812 41.594  3.5985 4.590141       5.006793 
1 1 1 26 9  15 o 39.554  2.6865 12.814   1.6559  14.522   2.4053  11.275   2.2831  41.298  3.7564 36.079  4.1100 5.218761       5.567968 
1 1 1 26 9  16 o 8.2589  3.9376 -1.5250  1.4137  -1.3730  2.0370  -1.6662  1.9636  10.484  4.9155 9.9739  4.7221 0.5104685      6.816175 
1 1 1 26 9  17 o 30.766  3.0651 7.8899   1.4587  7.9030   2.1256  7.8783   2.0054  29.645  4.7330 29.834  4.4218 -0.1888409     6.477113 
1 1 1 26 9  18 f 24.573  3.9799 5.2703   1.4807  6.3228   2.2115  4.4151   1.9935  25.735  5.6375 21.279  5.8119 4.456486       8.096848 
1 1 1 26 9  19 f 8.9290  4.1279 -0.7882  1.3589  -0.4674  2.0965  -1.0207  1.7846  11.612  5.2772 10.076  4.6832 1.535489       7.055563 
1 1 1 26 9  20 o 14.543  5.0289 1.8704   1.3954  3.6144   2.1316  0.5626   1.8459  19.028  6.2134 12.440  5.3221 6.588343       8.181092 
1 1 1 26 9  21 o 35.484  2.8142 10.413   1.5526  12.303   2.1470  8.3418   2.2479  37.930  3.6560 30.195  4.9181 7.734961       6.128138 
1 1 1 26 9  22 o 14.634  5.0494 1.9139   1.4064  -0.4235  1.8567  5.0602   2.1541  10.979  4.9807 22.527  5.9944 -11.54726      7.793645 
1 1 1 26 9  23 o 44.579  2.3769 16.188   1.6551  17.216   2.2424  14.957   2.4533  45.318  3.1765 41.654  3.7987 3.664173       4.951778 
1 1 1 26 9  24 o 38.063  2.7632 11.981   1.6376  11.057   2.0435  13.638   2.7376  35.846  3.6892 38.958  4.5692 -3.112389      5.872637 
1 1 1 26 9  25 o 37.376  2.7612 11.562   1.6064  14.333   2.1944  8.3613   2.3582  41.053  3.4414 29.812  5.2370 11.24158       6.266497 
1 1 1 26 9  26 o 27.790  3.5104 6.6356   1.4952  3.7081   1.9238  11.102   2.3762  19.229  5.8556 35.221  4.3996 -15.99200      7.324217 
1 1 1 26 9  27 o 36.759  2.7780 11.208   1.5890  12.007   2.0887  10.111   2.4485  37.365  3.6108 33.137  4.8575 4.227684       6.052535 
1 1 1 26 9  28 o 15.558  5.1009 2.2741   1.4361  2.0880   1.9339  2.5030   2.1442  15.282  5.8218 16.267  6.1462 -0.9855623     8.465790 
1 1 1 26 9  29 o 8.3628  3.9497 -1.1665  1.3584  -0.9678  1.8586  -1.3944  1.9904  10.229  4.7625 10.152  4.7905 0.7673454E-01  6.755042 
1 1 1 26 9  30 o 28.787  3.6452 7.1966   1.6082  5.9973   2.0364  9.1841   2.6214  24.878  5.3781 30.646  5.6651 -5.768263      7.811316 
1 1 1 26 9  31 o 38.732  2.5929 12.389   1.5653  9.3260   2.1382  15.926   2.2977  32.147  4.3550 43.144  3.4253 -10.99706      5.540612 
1 1 1 26 9  32 o 27.854  3.6091 6.7544   1.5389  9.1078   2.2825  4.7931   2.0837  31.287  4.8075 21.545  5.9655 9.741266       7.661585 
1 1 1 26 9  33 o 22.157  4.1795 4.4596   1.3985  5.0242   1.9977  3.9172   1.9584  22.269  5.6988 19.430  5.9060 2.838993       8.207119 
1 1 1 26 9  34 o 7.1878  3.5377 -2.4932  1.4036  -2.5996  1.9002  -2.3654  2.0821  8.7480  4.2655 9.4484  4.5740 -0.7003689     6.254337 
1 1 1 26 9  35 o 16.348  4.9633 2.6074   1.3837  1.3389   1.8828  4.0969   2.0402  13.450  5.5380 19.593  6.0418 -6.143044      8.195840 
1 1 1 26 9  36 o 20.356  4.5230 3.9189   1.4058  4.5933   1.9519  3.1920   2.0265  20.956  5.7623 17.302  6.0560 3.653868       8.359377 
1 1 1 26 9  37 o 15.725  5.1050 2.4609   1.4397  2.5160   2.0167  2.4036   2.0560  15.706  5.9544 15.481  5.9764 0.2257500      8.436371 
1 1 1 26 9  38 o 26.185  3.6604 6.1180   1.4615  7.7821   2.1119  4.5886   2.0246  28.270  4.9455 20.516  5.9485 7.753742       7.735816 
1 1 1 26 9  39 o 17.641  5.0118 3.1603   1.4511  4.1936   2.0422  2.1067   2.0624  19.309  6.0597 14.674  5.8856 4.634682       8.447531 
1 1 1 26 9  40 o 26.938  3.5796 6.5080   1.4742  6.6535   2.0646  6.3568   2.1057  25.381  5.3573 24.485  5.6066 0.8960800      7.754594 
1 1 1 26 10 0  o 15.465  7.8753 3.1522   2.3984  3.1522   2.3984  3.1522   2.3984  15.465  7.8753 15.465  7.8753 0.000000       0.000000 
1 1 1 26 10 1  o 30.963  3.3159 8.0862   1.5845  8.6510   2.1000  7.3397   2.4143  31.233  4.4118 27.638  5.7591 3.594727       7.254713 
1 1 1 26 10 2  o 18.843  5.0816 3.3329   1.5354  2.6464   1.9945  4.3318   2.4059  16.803  5.9959 20.530  6.5927 -3.727262      8.911444 
1 1 1 26 10 3  o 12.125  4.9923 0.7816   1.5301  1.4932   2.0715  -0.0728  2.2698  14.496  5.8688 12.506  5.6042 1.990017       8.114824 
1 1 1 26 10 4  o 13.613  5.2513 1.4192   1.5864  2.1195   2.2139  0.6802   2.2743  15.828  6.1762 13.521  5.8473 2.307134       8.505063 
1 1 1 26 10 5  o 14.833  5.4074 1.9091   1.6328  0.7903   2.3484  2.9561   2.2717  13.810  5.9570 17.530  6.3802 -3.719849      8.728806 
1 1 1 26 10 6  o 54.484  2.2117 23.970   1.8890  21.887   2.9224  25.466   2.4758  50.638  3.7072 55.560  2.8521 -4.922253      4.677392 
1 1 1 26 10 7  f 31.796  3.2749 8.5211   1.6090  6.8733   2.4269  9.8134   2.1492  26.458  5.9906 33.432  4.1931 -6.973928      7.312256 
1 1 1 26 10 8  o 46.833  2.4314 17.870   1.7790  17.765   2.8309  17.938   2.2869  45.235  4.0345 46.319  3.1685 -1.083954      5.129943 
1 1 1 26 10 9  f 9.7824  4.3803 -0.2581  1.3837  -1.5754  2.0819  0.7842   1.8520  10.336  4.8841 12.802  5.3977 -2.465577      7.279386 
1 1 1 26 10 10 f 19.664  4.8685 3.6036   1.4928  4.7239   2.2504  2.7231   1.9950  21.528  6.2799 16.895  6.0001 4.633224       8.685499 
1 1 1 26 10 11 o 25.403  4.0574 5.6841   1.5615  6.4518   2.1975  4.9013   2.2191  25.904  5.5764 21.994  6.1800 3.909500       8.323998 
1 1 1 26 10 12 o 57.712  2.0641 26.827   1.8674  24.716   2.5102  29.443   2.7944  54.576  2.9449 59.509  3.0051 -4.933731      4.207535 
1 1 1 26 10 13 o 27.149  3.6959 6.3746   1.5321  7.9501   2.1431  4.7276   2.1912  29.483  4.8019 21.555  6.1706 7.928265       7.818895 
1 1 1 26 10 14 o 22.199  4.4947 4.4848   1.5105  5.2672   2.1481  3.7194   2.1246  22.974  5.9255 19.125  6.2009 3.848646       8.576915 
1 1 1 26 10 15 o 46.023  2.4912 17.336   1.7906  17.912   2.5527  16.778   2.5124  45.767  3.5866 44.216  3.6574 1.551311       5.122593 
1 1 1 26 10 16 o 27.919  3.5923 6.7202   1.5358  7.1097   2.1314  6.2996   2.2148  27.519  5.1293 25.355  5.7097 2.164366       7.675284 
1 1 1 26 10 17 o 22.538  4.5504 4.6527   1.5524  4.9548   2.2419  4.3746   2.1516  21.916  6.2306 20.621  6.1732 1.294641       8.770954 
1 1 1 26 10 18 o 23.821  4.3726 5.1364   1.5727  6.5835   2.1913  3.5990   2.2586  26.045  5.5373 18.639  6.4008 7.405867       8.463536 
1 1 1 26 10 19 f 15.589  5.2682 2.2867   1.5295  1.6109   2.1252  3.0128   2.2029  14.547  5.9241 17.347  6.2876 -2.800462      8.638809 
1 1 1 26 10 20 f 16.909  5.1203 2.7429   1.4740  2.1301   2.0370  3.4164   2.1356  15.421  5.9501 18.236  6.2248 -2.815289      8.611102 
1 1 1 26 10 21 o 33.497  3.2704 9.5369   1.6954  11.265   2.3812  7.7597   2.4146  35.389  4.3861 28.126  5.6719 7.262934       7.169994 
1 1 1 26 10 22 o 15.504  5.2480 2.2745   1.5178  2.3077   2.1611  2.2422   2.1323  15.812  6.1208 15.666  6.0756 0.1459436      8.624200 
1 1 1 26 10 23 o 8.7751  4.1459 -1.2316  1.4992  -0.7321  2.0790  -1.7729  2.1639  11.051  5.1076 10.239  4.8789 0.8113947      7.063416 
1 1 1 26 10 24 o 17.565  5.2941 3.0242   1.5784  5.8259   2.2792  0.4421   2.1881  23.760  6.0906 12.727  5.6140 11.03280       8.283259 
1 1 1 26 10 25 f 10.046  4.5230 -0.2421  1.4978  2.7815   2.1317  -3.1902  2.1049  16.681  6.1631 8.9579  4.3935 7.722893       7.568818 
1 1 1 26 10 26 o 10.064  4.5519 -0.3014  1.5373  0.7460   2.1926  -1.3143  2.1561  13.105  5.7043 10.595  4.9954 2.510397       7.582448 
1 1 1 26 10 27 o 18.974  5.1498 3.5304   1.5710  2.7381   2.2098  4.3401   2.2339  16.511  6.2393 20.050  6.3437 -3.538544      8.897825 
1 1 1 26 10 28 o 7.6206  3.7292 -2.3481  1.4910  -3.7110  2.0538  -0.8292  2.1681  8.4395  4.1771 11.062  5.1483 -2.622452      6.629682 
1 1 1 26 10 29 o 46.725  2.7081 18.191   1.9752  18.623   2.6351  17.637   2.9840  46.158  3.6719 43.973  4.3873 2.185734       5.721162 
1 1 1 26 10 30 o 11.887  4.9234 0.8676   1.5003  -1.0137  2.0887  2.8729   2.1564  10.616  4.9773 16.599  6.1856 -5.982975      7.939455 
1 1 1 26 10 31 o 31.011  3.4853 8.4028   1.6650  9.7804   2.3539  7.0231   2.3556  32.070  4.8319 25.932  5.9241 6.137907       7.644781 
1 1 1 26 10 32 o 14.389  5.2307 1.9846   1.5262  2.9290   2.1994  1.1075   2.1197  16.530  6.2298 13.238  5.6843 3.292411       8.433427 
1 1 1 26 10 33 o 12.990  5.1422 1.4150   1.5542  1.6078   2.1729  1.2130   2.2239  14.012  5.8740 13.459  5.8013 0.5532675      8.255815 
1 1 1 26 10 34 o 9.0595  4.3148 -1.3411  1.6885  -0.2829  2.1025  -3.2634  2.8337  11.237  5.1733 10.381  5.0929 0.8557301      7.259517 
1 1 1 26 10 35 o 11.068  4.8461 0.4317   1.6032  1.1680   2.1549  -0.4813  2.3995  13.125  5.6837 11.540  5.3857 1.585072       7.830101 
1 1 1 26 10 36 o 12.969  5.2361 1.4678   1.6440  0.1678   2.5138  2.4394   2.1731  12.287  5.6566 15.107  6.0478 -2.819969      8.280912 
1 1 1 26 11 0  o 15.093  7.1815 2.9289   1.9395  2.9289   1.9395  2.9289   1.9395  15.093  7.1815 15.093  7.1815 0.000000       0.000000 
1 1 1 26 11 1  o 24.351  3.8876 5.2346   1.4342  5.8589   2.0569  4.6438   2.0008  24.498  5.4916 21.460  5.8064 3.038582       7.991980 
1 1 1 26 11 2  o 13.303  5.0210 1.4590   1.4300  1.9746   1.9423  0.8487   2.1132  15.009  5.8048 13.231  5.6783 1.778392       8.120250 
1 1 1 26 11 3  o 14.511  4.9989 1.9256   1.3781  4.1395   2.0008  -0.0731  1.9010  20.130  5.9355 11.441  5.1277 8.689313       7.843692 
1 1 1 26 11 4  o 40.503  2.5638 13.513   1.6195  12.045   2.3739  14.791   2.2149  36.797  4.1901 41.611  3.4260 -4.814060      5.412393 
1 1 1 26 11 5  o 9.5720  4.3646 -0.4822  1.4492  -2.4071  1.9421  1.9363   2.1769  9.0939  4.4061 15.131  6.0546 -6.037107      7.488115 
1 1 1 26 11 6  o 11.683  4.8317 0.7469   1.4417  -0.1146  1.8897  1.9466   2.2301  11.347  5.0971 15.195  6.1112 -3.848103      7.957793 
1 1 1 26 11 7  o 19.335  4.7999 3.5336   1.4482  4.3694   1.9356  2.4708   2.1826  20.818  5.7438 16.139  6.1761 4.679457       8.434201 
1 1 1 26 11 8  o 33.957  3.0112 9.6960   1.5863  11.437   2.1517  7.6235   2.3479  36.145  3.8569 27.945  5.5552 8.200390       6.762842 
1 1 1 26 11 9  o 26.484  4.1508 6.2819   1.6667  8.7335   2.3844  3.9394   2.3307  30.299  5.2075 19.196  6.5031 11.10371       8.331160 
1 1 1 26 11 10 o 16.534  5.0931 2.6317   1.4503  3.3484   1.9187  1.6765   2.2151  18.127  5.8938 14.667  6.0191 3.460923       8.424128 
1 1 1 26 11 11 o 18.960  5.1762 3.5006   1.5817  1.1235   1.9766  7.7331   2.6375  13.386  5.6065 27.314  6.2894 -13.92854      8.425537 
1 1 1 26 11 12 f 12.736  5.0975 1.1642   1.5435  0.9653   2.0030  1.4550   2.4217  13.157  5.5840 14.537  6.1531 -1.379510      8.309125 
1 1 1 26 11 13 o 11.928  4.9315 0.8219   1.5013  1.2138   1.8936  0.1587   2.4634  13.394  5.5381 12.869  5.7968 0.5242634      8.017053 
1 1 1 26 11 14 o 22.956  5.1079 5.0703   1.7908  6.1914   2.2200  2.9820   3.0300  24.758  5.8184 17.229  7.0515 7.529169       9.142081 
1 1 1 26 11 15 o 9.0613  4.3066 -1.4517  1.6643  -1.3857  2.0276  -1.5879  2.9138  10.195  4.8181 12.041  5.7157 -1.846474      7.475515 
1 1 1 26 11 16 o 13.180  5.3330 1.2682   1.7096  0.2974   2.0832  3.2701   2.9916  12.269  5.4414 17.601  7.0784 -5.332287      8.928180 
1 1 1 26 11 17 o 16.345  5.4256 2.6306   1.6228  3.9083   2.1489  0.9345   2.4758  19.153  6.2378 13.799  6.0325 5.353479       8.677639 
1 1 1 26 11 18 o 17.332  5.3709 2.9892   1.6101  3.5236   2.1066  2.2385   2.4967  18.253  6.1826 15.718  6.4134 2.534489       8.908221 
1 1 1 26 11 19 o 56.131  2.3598 25.790   2.0765  24.035   2.6759  28.448   3.2922  53.141  3.2273 57.138  3.6953 -3.996235      4.906146 
1 1 1 26 11 20 o 13.706  5.3512 1.5802   1.6627  1.6880   2.2187  1.4422   2.5113  14.514  5.9975 14.462  6.1981 0.5190754E-01  8.624750 
1 1 1 26 11 21 o 12.110  5.1515 0.7417   1.7118  0.9356   2.3521  0.5233   2.4959  13.513  5.8943 13.207  5.9004 0.3062716      8.340110 
1 1 1 26 11 22 o 13.864  5.4830 1.6275   1.7654  2.7143   2.4709  0.4940   2.5234  16.355  6.4808 13.182  5.9079 3.173608       8.769495 
1 1 1 26 11 23 o 43.155  2.7162 15.561   1.8282  13.752   2.5153  17.587   2.6618  38.965  4.1832 44.542  3.8499 -5.576637      5.685146 
1 1 1 26 11 24 o 19.644  5.1170 3.8367   1.5915  2.4540   2.2601  5.1968   2.2415  15.720  6.2079 21.797  6.2415 -6.077026      8.803121 
1 1 1 26 11 25 o 38.748  3.1293 12.852   1.8847  16.370   2.6018  8.9683   2.7337  42.759  3.9253 29.012  6.1989 13.74688       7.337166 
1 1 1 26 11 26 o 26.099  4.1748 6.2652   1.6505  7.6837   2.3807  4.9524   2.2903  27.235  5.7561 20.908  6.3937 6.326984       8.603036 
1 1 1 26 11 27 o 11.231  4.8530 0.5169   1.5642  -1.1689  2.2068  2.2187   2.2173  10.611  5.0185 15.071  6.0823 -4.459957      7.885417 
1 1 1 26 11 28 o 18.574  5.4985 3.6460   1.7141  3.2731   2.2716  4.1391   2.6120  16.982  6.3446 18.401  6.8175 -1.419373      9.313036 
1 1 1 26 11 29 o 33.802  3.2836 9.9820   1.7180  9.5844   2.4888  10.344   2.3745  30.708  5.3651 32.673  4.7769 -1.964907      7.183571 
1 1 1 26 11 30 f 11.893  5.0842 0.8498   1.6821  -1.9301  2.4343  3.3899   2.3270  10.338  4.9905 16.940  6.4023 -6.602260      8.117537 
1 1 1 26 11 31 o 43.722  3.3808 16.893   2.2993  16.259   3.0246  17.762   3.5389  40.608  4.8470 41.040  5.6504 -0.4313126     7.444475 
1 1 1 26 11 32 o 13.865  5.4230 1.9290   1.7100  1.2800   2.1669  3.0005   2.7842  13.059  5.6774 15.800  6.6377 -2.741164      8.734519 
1 1 1 26 12 0  o 12.145  6.8787 1.8851   2.0201  1.8851   2.0201  1.8851   2.0201  12.145  6.8787 12.145  6.8787 0.000000       0.000000 
1 1 1 26 12 1  o 14.221  5.3127 1.8401   1.5927  1.1240   2.0035  3.0696   2.6251  13.274  5.6065 17.049  6.7040 -3.775037      8.739373 
1 1 1 26 12 2  o 14.676  5.1532 2.0401   1.4678  3.1263   1.9822  0.7213   2.1841  17.304  5.9933 12.950  5.6635 4.354035       8.245948 
1 1 1 26 12 3  o 13.350  5.1483 1.5020   1.5244  0.8251   1.9476  2.5727   2.4494  12.692  5.4493 16.146  6.4353 -3.454275      8.432552 
1 1 1 26 12 4  o 11.842  4.8890 0.8571   1.4725  -0.1156  1.9571  2.1261   2.2353  11.359  5.1369 15.246  6.1231 -3.887448      7.992461 
1 1 1 26 12 5  o 9.2400  4.2993 -0.8095  1.5105  -2.1646  2.0703  0.7331   2.2089  9.5503  4.6081 12.997  5.6895 -3.447102      7.321599 
1 1 1 26 12 6  o 17.553  5.0943 3.0415   1.4842  3.2365   2.0057  2.8055   2.2067  17.524  6.0310 16.511  6.2360 1.012999       8.675289 
1 1 1 26 12 7  o 8.9011  4.1765 -0.9871  1.4754  -3.5252  1.9940  2.0839   2.1934  8.3596  4.1337 15.116  6.0673 -6.756837      7.341648 
1 1 1 26 12 8  o 9.3985  4.3614 -0.7451  1.5382  0.0236   2.0837  -1.6655  2.2802  11.795  5.3204 10.491  5.0013 1.304514       7.302048 
1 1 1 26 12 9  o 9.8629  4.4370 -0.1849  1.4380  -1.4466  1.9204  1.4254   2.1695  9.7543  4.6331 13.944  5.8587 -4.189438      7.469240 
1 1 1 26 12 10 o 15.065  5.2291 2.2001   1.5094  5.4865   2.0444  -1.7371  2.2378  23.132  5.6794 10.313  4.9271 12.81939       7.518817 
1 1 1 26 12 11 o 22.049  4.6680 4.6186   1.5632  5.6767   2.0955  3.2909   2.3474  23.458  5.7442 17.382  6.4584 6.075731       8.643284 
1 1 1 26 12 12 o 44.703  2.5164 16.558   1.7563  16.267   2.3177  16.950   2.6915  43.311  3.4420 43.514  3.9899 -0.2035217     5.269414 
1 1 1 26 12 13 o 16.586  5.3457 2.7809   1.5807  2.8358   2.1928  2.7215   2.2807  16.447  6.2152 16.224  6.2859 0.2232094      8.839753 
1 1 1 26 12 14 o 11.126  4.7588 0.5258   1.4752  -1.3467  1.9375  3.1089   2.2756  9.8542  4.6727 16.951  6.3468 -7.096377      7.881409 
1 1 1 26 12 15 o 12.717  5.0472 1.2888   1.5009  2.1216   2.0741  0.3731   2.1747  14.956  5.9341 12.320  5.5058 2.635919       8.094936 
1 1 1 26 12 16 o 46.438  2.4758 17.877   1.7959  17.924   2.4281  17.820   2.6683  45.376  3.4390 44.699  3.8453 0.6774673      5.158813 
1 1 1 26 12 17 o 14.149  5.1706 1.9050   1.4941  2.5072   1.9796  1.1078   2.2777  15.637  5.9063 13.421  5.8278 2.215777       8.297479 
1 1 1 26 12 18 o 17.793  5.1978 3.2284   1.5407  3.5239   2.0683  2.8601   2.3092  17.820  6.1249 16.284  6.3206 1.535435       8.801379 
1 1 1 26 12 19 o 10.047  4.5141 -0.0759  1.4830  0.9972   2.0260  -1.3144  2.1766  12.834  5.5346 10.395  4.9359 2.439504       7.415822 
1 1 1 26 12 20 o 29.178  3.5708 7.5625   1.5993  7.1253   2.1491  8.1050   2.3941  26.490  5.3592 27.928  5.6620 -1.438089      7.796092 
1 1 1 26 12 21 o 9.7123  4.4197 -0.2612  1.4767  -0.3285  2.0128  -0.1827  2.1730  10.966  5.0533 11.464  5.2709 -0.4982195     7.301988 
1 1 1 26 12 22 o 24.437  4.2376 5.6081   1.5645  6.9902   2.1247  3.9711   2.3124  26.082  5.3752 18.234  6.4614 7.847847       8.404922 
1 1 1 26 12 23 o 24.679  4.5173 5.8662   1.6833  2.7935   2.1657  10.555   2.6754  15.842  6.1288 31.837  5.5630 -15.99463      8.276974 
1 1 1 26 12 24 o 29.714  4.3578 8.3951   1.9696  7.4321   2.2769  11.258   3.9262  26.365  5.6767 27.582  8.3577 -1.217299      10.10327 
1 1 1 26 12 25 o 12.516  5.4010 1.0723   1.9321  0.4991   2.1130  3.9973   4.7729  11.967  5.3816 16.722  7.7326 -4.755018      9.421024 
1 1 1 26 12 26 o 17.544  5.9163 3.5966   1.9289  3.9172   2.3128  2.8641   3.4962  17.655  6.4358 15.580  6.9705 2.074136       9.487257 
1 1 1 26 12 27 o 43.594  3.4592 17.069   2.3446  15.977   2.8027  19.615   4.2797  40.486  4.4916 39.627  7.1524 0.8589821      8.445745 
1 1 1 26 13 0  o 23.024  7.2117 5.7792   2.2843  5.7792   2.2843  5.7792   2.2843  23.024  7.2117 23.024  7.2117 0.000000       0.000000 
1 1 1 26 13 1  o 12.974  5.2571 1.3797   1.6637  1.7111   2.2533  0.9826   2.4668  14.155  5.9603 13.360  5.9234 0.7957487      8.403121 
1 1 1 26 13 2  o 10.095  4.5513 -0.0993  1.5228  -0.7771  2.1743  0.5533   2.1333  10.864  5.0887 12.318  5.4828 -1.454173      7.480374 
1 1 1 26 13 3  o 15.495  5.2312 2.4524   1.5081  3.6674   2.0356  0.9740   2.2454  18.058  6.0777 13.052  5.7243 5.005894       8.349052 
1 1 1 26 13 4  o 12.909  5.1804 1.3903   1.5987  2.7864   2.1159  -0.4669  2.4404  16.024  6.0932 11.695  5.4493 4.328516       8.174450 
1 1 1 26 13 5  o 16.594  5.2083 2.8433   1.5086  1.5689   2.0136  4.4741   2.2778  13.677  5.6876 19.527  6.4253 -5.850002      8.581007 
1 1 1 26 13 6  o 37.094  2.9718 11.781   1.7136  12.801   2.3116  10.536   2.5532  37.444  3.9999 32.487  5.1879 4.957127       6.550861 
1 1 1 26 13 7  o 9.7884  4.4982 -0.4134  1.5797  -1.1568  2.2458  0.3148   2.2226  10.626  5.0364 12.124  5.4794 -1.497814      7.442393 
1 1 1 26 13 8  o 24.798  4.2267 5.7589   1.5842  5.9848   2.1095  5.4667   2.3992  23.650  5.7463 21.480  6.5389 2.170307       8.704981 
1 1 1 26 13 9  o 20.866  4.8072 4.3163   1.5401  5.5429   2.0728  2.8046   2.3011  22.600  5.8164 15.922  6.2717 6.677838       8.553616 
1 1 1 26 13 10 o 14.695  5.1930 2.1913   1.4926  5.6955   2.0345  -1.8931  2.1965  23.084  5.6644 9.8547  4.7529 13.22971       7.394256 
1 1 1 26 13 11 o 19.895  4.9741 4.0151   1.5472  4.8754   2.1013  2.9965   2.2865  20.716  6.0756 16.214  6.2905 4.502796       8.745467 
1 1 1 26 13 12 o 10.522  4.5939 0.3645   1.4316  2.5353   1.9712  -2.0586  2.0826  15.343  5.8700 9.4201  4.5638 5.923132       7.435402 
1 1 1 26 13 13 o 18.199  5.1218 3.4516   1.5230  2.6840   2.0286  4.4430   2.3054  15.599  5.9580 19.097  6.4678 -3.497852      8.793749 
1 1 1 26 13 14 o 19.892  4.9612 4.0435   1.5419  5.3144   2.0642  2.4392   2.3192  21.794  5.8980 15.078  6.1700 6.715959       8.535546 
1 1 1 26 13 15 o 30.460  4.0369 8.6400   1.8802  8.9436   2.3526  8.1034   3.1279  29.441  5.2919 24.417  7.4728 5.023695       9.156827 
1 1 1 26 13 16 o 14.403  5.5186 2.1677   1.7439  4.9802   2.1878  -2.7333  2.8881  20.423  6.2496 10.566  5.1746 9.856829       8.113824 
1 1 1 26 13 17 o 7.9304  3.8925 -2.3928  1.6621  -4.0044  2.0496  0.7033   2.8408  7.9979  3.9935 13.053  6.0110 -5.055521      7.216632 
1 1 1 26 13 18 o 15.416  5.8717 2.7197   1.9669  0.7414   2.3091  7.9496   3.7545  12.422  5.6021 21.687  8.1461 -9.265275      9.886512 
1 1 1 26 13 19 o 20.610  5.9480 4.9727   2.0285  5.0648   2.4067  4.7466   3.7697  19.716  6.6087 17.242  7.4922 2.473431       9.990376 
1 1 1 26 13 20 o 18.782  6.0513 4.2930   2.0257  3.2300   2.3685  7.1882   3.9088  15.973  6.3402 19.831  8.0502 -3.858054      10.24712 
1 1 1 26 14 0  o 7.6331  5.3064 -1.3580  2.2463  -1.3580  2.2463  -1.3580  2.2463  7.6331  5.3064 7.6331  5.3064 0.000000       0.000000 
1 1 1 26 14 1  o 11.581  5.0384 0.8191   1.7089  0.5232   2.2540  1.2191   2.6206  11.968  5.4519 13.159  5.9484 -1.190960      8.068832 
1 1 1 26 14 2  o 9.3862  4.4341 -0.8486  1.7139  -0.8275  2.2407  -0.8784  2.6608  10.565  5.0143 11.243  5.3719 -0.6780767     7.348471 
1 1 1 26 14 3  f 9.5513  4.5441 -1.0426  1.8621  1.1128   2.3423  -4.7443  3.0697  12.766  5.7088 9.7118  4.8550 3.054151       7.494098 
1 1 1 26 14 4  o 12.863  5.4506 1.4694   1.9037  -0.0545  2.3391  4.4593   3.2764  11.450  5.3352 17.060  7.1855 -5.609758      8.949628 
1 1 1 26 14 5  o 21.083  5.9616 5.2667   2.0582  3.7143   2.4026  9.5474   3.9897  16.751  6.4624 22.857  8.4343 -6.106253      10.62539 
1 1 1 26 14 6  o 12.252  5.6716 0.4594   2.5780  -1.3961  3.6264  2.3553   3.6656  12.099  5.8980 14.689  6.7870 -2.590328      8.991643 
1 1 1 26 14 7  o 12.564  5.6533 1.0132   2.3357  -0.9254  2.8572  4.9185   4.0554  11.429  5.4886 16.860  7.5276 -5.431113      9.316077 
1 1 1 26 14 8  o 11.971  5.4608 0.5926   2.2716  2.7161   2.9139  -2.6974  3.6270  14.871  6.5215 11.382  5.6181 3.488655       8.607756 
1 1 1 26 14 9  o 14.575  6.0993 2.5140   2.3365  3.3865   2.9381  1.0129   3.8540  15.655  6.7065 13.635  6.5009 2.019992       9.340142 
1 1 1 26 14 10 o 9.5935  4.6663 -1.8887  2.2350  -1.3111  2.8917  -2.7457  3.5223  11.128  5.3880 11.167  5.5165 -0.3863144E-01 7.711204 
1 1 1 27 0  0  o 11.267  7.2969 -0.0835  3.0454  -0.0835  3.0454  -0.0835  3.0454  11.267  7.2969 11.267  7.2969 0.000000       0.000000 
1 1 1 27 0  1  f 11.286  7.0582 0.6616   2.5670  0.6616   2.5670  0.6616   2.5670  11.286  7.0582 11.286  7.0582 0.000000       0.000000 
1 1 1 27 0  2  o 27.807  9.3038 8.0265   3.6177  8.0265   3.6177  8.0265   3.6177  27.807  9.3038 27.807  9.3038 0.000000       0.000000 
1 1 1 27 0  3  o 156.918 3.1161 194.270  7.6587  194.270  7.6587  194.270  7.6587  156.918 3.1161 156.918 3.1161 0.000000       0.000000 
1 1 1 27 0  4  f 13.473  7.6648 1.9475   2.5227  1.9475   2.5227  1.9475   2.5227  13.473  7.6648 13.473  7.6648 0.000000       0.000000 
1 1 1 27 0  5  o 118.804 4.8728 112.648  9.0407  112.648  9.0407  112.648  9.0407  118.804 4.8728 118.804 4.8728 0.000000       0.000000 
1 1 1 27 0  6  o 50.437  4.7073 20.695   3.6475  20.695   3.6475  20.695   3.6475  50.437  4.7073 50.437  4.7073 0.000000       0.000000 
1 1 1 27 0  7  o 8.8535  5.9651 -0.9782  2.3838  -0.9782  2.3838  -0.9782  2.3838  8.8535  5.9651 8.8535  5.9651 0.000000       0.000000 
1 1 1 27 0  8  o 26.560  6.8922 6.6426   2.4799  6.6426   2.4799  6.6426   2.4799  26.560  6.8922 26.560  6.8922 0.000000       0.000000 
1 1 1 27 0  9  o 52.118  3.7175 21.780   3.0018  21.780   3.0018  21.780   3.0018  52.118  3.7175 52.118  3.7175 0.000000       0.000000 
1 1 1 27 0  10 o 76.647  2.8306 46.450   3.3906  46.450   3.3906  46.450   3.3906  76.647  2.8306 76.647  2.8306 0.000000       0.000000 
1 1 1 27 0  11 o 18.658  6.9722 3.7392   1.9008  3.7392   1.9008  3.7392   1.9008  18.658  6.9722 18.658  6.9722 0.000000       0.000000 
1 1 1 27 0  12 o 10.256  6.1732 0.8660   1.7990  0.8660   1.7990  0.8660   1.7990  10.256  6.1732 10.256  6.1732 0.000000       0.000000 
1 1 1 27 0  13 o 10.383  6.2964 0.8409   1.8995  0.8409   1.8995  0.8409   1.8995  10.383  6.2964 10.383  6.2964 0.000000       0.000000 
1 1 1 27 0  14 o 11.124  6.4160 1.2619   1.8034  1.2619   1.8034  1.2619   1.8034  11.124  6.4160 11.124  6.4160 0.000000       0.000000 
1 1 1 27 0  15 o 5.7510  4.1268 -2.8820  1.7688  -2.8820  1.7688  -2.8820  1.7688  5.7510  4.1268 5.7510  4.1268 0.000000       0.000000 
1 1 1 27 0  16 o 15.393  6.9819 2.7621   1.8192  2.7621   1.8192  2.7621   1.8192  15.393  6.9819 15.393  6.9819 0.000000       0.000000 
1 1 1 27 0  17 o 37.696  3.4571 11.500   2.0035  11.500   2.0035  11.500   2.0035  37.696  3.4571 37.696  3.4571 0.000000       0.000000 
1 1 1 27 0  18 o 15.934  6.8969 2.9101   1.7764  2.9101   1.7764  2.9101   1.7764  15.934  6.8969 15.934  6.8969 0.000000       0.000000 
1 1 1 27 0  19 o 33.435  3.7916 9.1762   1.9214  9.1762   1.9214  9.1762   1.9214  33.435  3.7916 33.435  3.7916 0.000000       0.000000 
1 1 1 27 0  20 o 21.198  6.3758 4.4327   1.8468  4.4327   1.8468  4.4327   1.8468  21.198  6.3758 21.198  6.3758 0.000000       0.000000 
1 1 1 27 0  21 o 39.715  3.4043 12.733   2.0837  12.733   2.0837  12.733   2.0837  39.715  3.4043 39.715  3.4043 0.000000       0.000000 
1 1 1 27 0  22 f 14.759  6.8829 2.5695   1.7731  2.5695   1.7731  2.5695   1.7731  14.759  6.8829 14.759  6.8829 0.000000       0.000000 
1 1 1 27 0  23 o 14.865  7.0895 2.6285   1.8913  2.6285   1.8913  2.6285   1.8913  14.865  7.0895 14.865  7.0895 0.000000       0.000000 
1 1 1 27 0  24 o 22.001  6.0325 4.6353   1.7990  4.6353   1.7990  4.6353   1.7990  22.001  6.0325 22.001  6.0325 0.000000       0.000000 
1 1 1 27 0  25 o 107.545 2.2955 91.171   3.8661  91.171   3.8661  91.171   3.8661  107.545 2.2955 107.545 2.2955 0.000000       0.000000 
1 1 1 27 0  26 o 45.990  3.0328 16.921   2.1647  16.921   2.1647  16.921   2.1647  45.990  3.0328 45.990  3.0328 0.000000       0.000000 
1 1 1 27 0  27 o 10.017  6.0678 0.8125   1.7602  0.8125   1.7602  0.8125   1.7602  10.017  6.0678 10.017  6.0678 0.000000       0.000000 
1 1 1 27 0  28 o 25.192  5.5112 5.7393   1.9060  5.7393   1.9060  5.7393   1.9060  25.192  5.5112 25.192  5.5112 0.000000       0.000000 
1 1 1 27 0  29 o 21.629  6.3004 4.5919   1.8546  4.5919   1.8546  4.5919   1.8546  21.629  6.3004 21.629  6.3004 0.000000       0.000000 
1 1 1 27 0  30 o 46.705  3.1230 17.491   2.2631  17.491   2.2631  17.491   2.2631  46.705  3.1230 46.705  3.1230 0.000000       0.000000 
1 1 1 27 0  31 o 54.414  2.8176 23.588   2.3888  23.588   2.3888  23.588   2.3888  54.414  2.8176 54.414  2.8176 0.000000       0.000000 
1 1 1 27 0  32 o 19.363  6.7850 3.9740   1.8660  3.9740   1.8660  3.9740   1.8660  19.363  6.7850 19.363  6.7850 0.000000       0.000000 
1 1 1 27 0  33 o 10.789  6.3357 1.1679   1.8099  1.1679   1.8099  1.1679   1.8099  10.789  6.3357 10.789  6.3357 0.000000       0.000000 
1 1 1 27 0  34 o 6.7289  4.6891 -1.5750  1.7833  -1.5750  1.7833  -1.5750  1.7833  6.7289  4.6891 6.7289  4.6891 0.000000       0.000000 
1 1 1 27 0  35 o 14.586  7.2405 2.6189   2.0005  2.6189   2.0005  2.6189   2.0005  14.586  7.2405 14.586  7.2405 0.000000       0.000000 
1 1 1 27 0  36 o 14.814  7.0786 2.6818   1.8864  2.6818   1.8864  2.6818   1.8864  14.814  7.0786 14.814  7.0786 0.000000       0.000000 
1 1 1 27 0  37 o 29.154  4.4272 7.2736   1.8851  7.2736   1.8851  7.2736   1.8851  29.154  4.4272 29.154  4.4272 0.000000       0.000000 
1 1 1 27 0  38 o 36.994  3.3293 11.164   1.8948  11.164   1.8948  11.164   1.8948  36.994  3.3293 36.994  3.3293 0.000000       0.000000 
1 1 1 27 0  39 o 64.417  2.5789 33.038   2.5948  33.038   2.5948  33.038   2.5948  64.417  2.5789 64.417  2.5789 0.000000       0.000000 
1 1 1 27 0  40 o 45.604  2.7396 16.690   1.9424  16.690   1.9424  16.690   1.9424  45.604  2.7396 45.604  2.7396 0.000000       0.000000 
1 1 1 27 0  41 o 23.071  5.1892 4.9138   1.6379  4.9138   1.6379  4.9138   1.6379  23.071  5.1892 23.071  5.1892 0.000000       0.000000 
1 1 1 27 0  42 o 14.190  6.6093 2.4771   1.6348  2.4771   1.6348  2.4771   1.6348  14.190  6.6093 14.190  6.6093 0.000000       0.000000 
1 1 1 27 0  43 o 9.6680  5.8354 0.8751   1.6164  0.8751   1.6164  0.8751   1.6164  9.6680  5.8354 9.6680  5.8354 0.000000       0.000000 
1 1 1 27 0  44 o 14.927  6.7186 2.7313   1.6834  2.7313   1.6834  2.7313   1.6834  14.927  6.7186 14.927  6.7186 0.000000       0.000000 
1 1 1 27 0  45 o 48.630  2.6958 19.021   2.0407  19.021   2.0407  19.021   2.0407  48.630  2.6958 48.630  2.6958 0.000000       0.000000 
1 1 1 27 0  46 o 4.9634  3.6156 -3.5291  1.6399  -3.5291  1.6399  -3.5291  1.6399  4.9634  3.6156 4.9634  3.6156 0.000000       0.000000 
1 1 1 27 0  47 o 15.068  6.7325 2.8064   1.6908  2.8064   1.6908  2.8064   1.6908  15.068  6.7325 15.068  6.7325 0.000000       0.000000 
1 1 1 27 0  48 o 13.029  6.8011 2.2143   1.8179  2.2143   1.8179  2.2143   1.8179  13.029  6.8011 13.029  6.8011 0.000000       0.000000 
1 1 1 27 0  49 o 8.6949  5.7637 -0.1817  2.0716  -0.1817  2.0716  -0.1817  2.0716  8.6949  5.7637 8.6949  5.7637 0.000000       0.000000 
1 1 1 27 0  50 o 10.463  6.3669 1.1072   1.9569  1.1072   1.9569  1.1072   1.9569  10.463  6.3669 10.463  6.3669 0.000000       0.000000 
1 1 1 27 0  51 o 6.5842  4.6138 -1.5933  1.7953  -1.5933  1.7953  -1.5933  1.7953  6.5842  4.6138 6.5842  4.6138 0.000000       0.000000 
1 1 1 27 0  52 o 24.378  6.4776 6.0014   2.1389  6.0014   2.1389  6.0014   2.1389  24.378  6.4776 24.378  6.4776 0.000000       0.000000 
1 1 1 27 0  53 o 13.026  6.7341 2.2748   1.7693  2.2748   1.7693  2.2748   1.7693  13.026  6.7341 13.026  6.7341 0.000000       0.000000 
1 1 1 27 0  54 o 7.9178  5.3008 -0.3099  1.8279  -0.3099  1.8279  -0.3099  1.8279  7.9178  5.3008 7.9178  5.3008 0.000000       0.000000 
1 1 1 27 0  55 o 14.764  6.9325 2.8996   1.8012  2.8996   1.8012  2.8996   1.8012  14.764  6.9325 14.764  6.9325 0.000000       0.000000 
1 1 1 27 0  56 o 9.9295  6.0209 1.1074   1.7367  1.1074   1.7367  1.1074   1.7367  9.9295  6.0209 9.9295  6.0209 0.000000       0.000000 
1 1 1 27 0  57 o 11.357  6.6556 1.7464   1.9899  1.7464   1.9899  1.7464   1.9899  11.357  6.6556 11.357  6.6556 0.000000       0.000000 
1 1 1 27 1  0  o 92.593  2.5080 67.607   3.6344  67.607   3.6344  67.607   3.6344  92.593  2.5080 92.593  2.5080 0.000000       0.000000 
1 1 1 27 1  1  o 20.273  5.2578 3.4808   1.6851  0.7478   2.3422  6.4136   2.4263  14.967  6.1712 27.436  5.8215 -12.46944      8.483716 
1 1 1 27 1  2  o 35.999  3.0995 10.380   1.7321  9.6294   2.3683  11.243   2.5398  34.250  4.5215 37.071  4.4598 -2.821186      6.350866 
1 1 1 27 1  3  o 55.251  2.2008 24.106   1.9062  23.444   2.6385  24.830   2.7569  54.199  3.1185 55.768  3.1665 -1.568817      4.444292 
1 1 1 27 1  4  o 39.348  2.4447 12.293   1.5005  13.063   2.1093  11.505   2.1350  40.340  3.3662 37.760  3.6524 2.579952       4.967026 
1 1 1 27 1  5  f 47.354  2.2442 17.714   1.6660  18.216   2.2387  17.091   2.4939  47.783  3.0039 46.142  3.4732 1.641502       4.592022 
1 1 1 27 1  6  o 10.956  4.5226 0.3279   1.2598  -0.1739  1.7636  0.8509   1.8002  11.785  5.1227 13.743  5.5035 -1.958166      7.518649 
1 1 1 27 1  7  o 40.495  2.1299 12.980   1.3474  11.161   1.8946  14.842   1.9165  37.286  3.2744 43.150  2.8492 -5.863426      4.340506 
1 1 1 27 1  8  o 12.996  4.6200 1.2019   1.1831  1.3986   1.7005  1.0173   1.6470  14.680  5.4885 13.684  5.3305 0.9962540      7.650942 
1 1 1 27 1  9  o 29.664  2.6372 7.0268   1.2136  6.1612   1.7079  7.9096   1.7248  27.394  4.1034 31.256  3.5848 -3.862165      5.448761 
1 1 1 27 1  10 o 71.864  1.5742 40.642   1.7735  41.120   2.5351  40.184   2.4819  72.138  2.2417 71.318  2.2199 0.8198090      3.154872 
1 1 1 27 1  11 o 11.653  4.4981 0.7486   1.1645  2.6625   1.6904  -0.9800  1.6065  17.920  5.4951 10.019  4.5789 7.900579       7.152781 
1 1 1 27 1  12 o 24.200  3.3489 4.7585   1.2365  4.0393   1.7712  5.4421   1.7268  21.797  5.2467 25.595  4.4661 -3.798189      6.890108 
1 1 1 27 1  13 o 86.652  1.4964 59.075   2.0327  60.356   2.8984  57.834   2.8516  87.425  2.1148 85.575  2.1256 1.849861       2.998436 
1 1 1 27 1  14 o 27.121  2.9409 5.9152   1.2303  5.6262   1.7219  6.2166   1.7586  26.053  4.3708 27.462  4.2198 -1.408968      6.075349 
1 1 1 27 1  15 o 66.213  1.6131 34.518   1.6743  36.191   2.3868  32.897   2.3494  67.655  2.2504 64.485  2.3241 3.170052       3.235049 
1 1 1 27 1  16 o 42.155  2.1694 14.080   1.4288  12.971   2.1291  14.988   1.9271  40.135  3.4165 43.331  2.8530 -3.195255      4.451048 
1 1 1 27 1  17 o 32.057  2.6037 8.2045   1.2972  8.0936   1.7599  8.3364   1.9196  31.574  3.6209 31.960  3.9131 -0.3852768     5.331338 
1 1 1 27 1  18 o 42.340  2.0315 14.158   1.3484  10.754   1.8749  17.805   1.9408  36.537  3.3092 47.293  2.6281 -10.75614      4.225880 
1 1 1 27 1  19 o 87.226  1.4962 59.886   2.0459  62.731   2.9198  57.142   2.8676  89.098  2.0904 85.016  2.1516 4.081802       2.999872 
1 1 1 27 1  20 o 57.857  1.8133 26.403   1.6447  24.702   2.3756  27.969   2.2792  55.745  2.7184 59.396  2.4477 -3.650982      3.658041 
1 1 1 27 1  21 o 45.819  2.0869 16.596   1.4990  17.541   2.0597  15.532   2.1858  46.862  2.8168 43.970  3.1928 2.892788       4.257753 
1 1 1 27 1  22 o 39.419  2.2174 12.338   1.3647  13.356   1.9434  11.348   1.9168  40.787  3.0617 37.507  3.2932 3.279907       4.496618 
1 1 1 27 1  23 o 19.597  4.0615 3.2186   1.2067  3.1757   1.7547  3.2571   1.6622  19.261  5.5244 19.493  5.3000 -0.2320137     7.655625 
1 1 1 27 1  24 o 13.206  4.6008 1.3055   1.1689  1.7509   1.6371  0.8422   1.6696  15.296  5.4350 13.262  5.3039 2.034065       7.594147 
1 1 1 27 1  25 o 33.412  2.4644 8.9137   1.2817  9.5185   1.8778  8.3861   1.7537  34.206  3.5537 32.089  3.5454 2.117245       5.019866 
1 1 1 27 1  26 o 34.354  2.4131 9.4180   1.2914  11.221   1.8501  7.7050   1.8033  37.276  3.1970 30.627  3.8403 6.649166       4.996860 
1 1 1 27 1  27 o 34.998  2.3708 9.7716   1.2931  9.9095   1.8056  9.6266   1.8527  34.952  3.3358 34.393  3.4843 0.5589828      4.823676 
1 1 1 27 1  28 o 35.918  2.3359 10.289   1.3082  10.512   1.8656  10.074   1.8348  35.987  3.3451 35.215  3.3646 0.7721977      4.744470 
1 1 1 27 1  29 o 53.435  1.8066 22.568   1.5134  22.414   2.1995  22.706   2.0855  53.001  2.6472 53.399  2.4913 -0.3976288     3.635143 
1 1 1 27 1  30 o 34.947  2.3612 9.7573   1.2860  8.6922   1.8060  10.853   1.8316  32.566  3.5976 36.575  3.2275 -4.008865      4.833157 
1 1 1 27 1  31 o 24.880  3.2672 5.0731   1.2435  5.1076   1.7425  5.0373   1.7751  24.429  4.7209 24.206  4.8469 0.2232285      6.766057 
1 1 1 27 1  32 o 36.515  2.3237 10.656   1.3232  10.274   1.8788  11.032   1.8640  35.458  3.4224 36.818  3.2633 -1.360474      4.728854 
1 1 1 27 1  33 o 18.437  4.1733 2.9062   1.1781  2.1478   1.6262  3.7441   1.7092  16.116  5.4322 20.618  5.2684 -4.502750      7.567351 
1 1 1 27 1  34 o 9.8250  4.2148 0.0464   1.1634  -0.4901  1.6199  0.6180   1.6720  10.577  4.7375 12.627  5.2110 -2.049572      7.042639 
1 1 1 27 1  35 o 34.277  2.6407 9.4762   1.4080  8.7494   2.0332  10.146   1.9518  32.294  4.1092 35.063  3.6021 -2.768715      5.464466 
1 1 1 27 1  36 o 45.898  2.1876 16.791   1.5740  17.898   2.3302  15.862   2.1346  46.853  3.1914 44.143  3.1044 2.710770       4.452279 
1 1 1 27 1  37 o 37.329  2.2434 11.164   1.3067  10.691   1.9084  11.582   1.7930  36.016  3.4210 37.677  3.0622 -1.660530      4.591318 
1 1 1 27 1  38 o 18.875  4.2651 3.0943   1.2323  3.7191   1.8400  2.5861   1.6594  20.212  5.6091 17.125  5.4727 3.087698       7.836649 
1 1 1 27 1  39 o 14.234  4.6426 1.7117   1.1902  3.7216   1.7967  0.1404   1.5887  20.188  5.5191 11.362  4.9005 8.825630       7.380742 
1 1 1 27 1  40 o 23.596  3.4508 4.6700   1.2388  8.2836   1.8891  1.9439   1.6408  31.274  3.9407 15.308  5.4409 15.96577       6.718063 
1 1 1 27 1  41 o 11.886  4.5377 0.9512   1.1764  1.4308   1.7227  0.5321   1.6102  14.163  5.4698 12.070  5.0581 2.092669       7.450038 
1 1 1 27 1  42 o 11.688  4.5324 0.8763   1.1866  0.0440   1.7033  1.6610   1.6539  11.454  5.0055 14.541  5.4175 -3.087321      7.375919 
1 1 1 27 1  43 o 24.693  3.3751 5.1249   1.2723  4.2080   1.8640  5.9248   1.7409  21.216  5.5434 25.993  4.4314 -4.777449      7.096889 
1 1 1 27 1  44 o 22.583  3.7966 4.3830   1.2964  3.7846   1.8561  4.9530   1.8115  20.014  5.6620 23.278  5.1045 -3.264513      7.623268 
1 1 1 27 1  45 o 22.796  3.9499 4.5051   1.3604  2.4785   1.9127  6.5801   1.9354  16.592  5.8769 27.147  4.7190 -10.55467      7.537097 
1 1 1 27 1  46 o 18.381  4.9120 3.1032   1.4425  2.3728   2.0717  3.7904   2.0096  16.409  6.0732 19.785  5.9758 -3.376371      8.520166 
1 1 1 27 1  47 o 22.428  4.1645 4.4263   1.4103  4.2140   1.9329  4.6681   2.0623  20.937  5.7245 21.949  5.8766 -1.011877      8.203963 
1 1 1 27 1  48 o 26.552  3.8081 6.0753   1.5397  6.7963   2.4162  5.5822   1.9980  26.497  5.9610 24.394  5.3701 2.102686       8.023180 
1 1 1 27 1  49 o 34.180  2.6421 9.5863   1.4047  8.1822   1.8761  11.378   2.1192  30.706  3.9920 36.452  3.7625 -5.746609      5.485626 
1 1 1 27 1  50 o 11.958  4.6305 1.0008   1.2371  3.3902   1.7794  -1.2343  1.7210  18.717  5.6164 9.6214  4.5132 9.095797       7.205108 
1 1 1 27 1  51 o 37.039  2.3664 11.181   1.3669  12.440   1.8928  9.8080   1.9760  38.514  3.1629 33.683  3.8091 4.831150       4.951114 
1 1 1 27 1  52 o 35.694  2.6240 10.500   1.4580  10.723   2.0275  10.262   2.0981  35.224  3.7285 34.233  3.9842 0.9911499      5.456673 
1 1 1 27 1  53 o 10.901  4.5366 0.5592   1.2825  -1.9639  1.7985  3.1694   1.8293  9.0365  4.3437 17.801  5.7520 -8.765020      7.207856 
1 1 1 27 1  54 o 31.441  2.8684 8.2906   1.3983  10.999   2.0223  5.8094   1.9354  35.529  3.6845 24.525  5.1955 11.00337       6.369320 
1 1 1 27 1  55 o 18.263  4.5690 3.1636   1.3049  2.4483   1.8286  3.9058   1.8625  15.738  5.7248 19.415  5.7274 -3.676731      8.097958 
1 1 1 27 2  0  o 9.2202  5.7319 0.4803   1.6678  0.4803   1.6678  0.4803   1.6678  9.2202  5.7319 9.2202  5.7319 0.000000       0.000000 
1 1 1 27 2  1  o 44.723  2.1145 15.800   1.4825  16.457   2.0216  15.035   2.1806  45.415  2.8540 43.291  3.2365 2.123764       4.315159 
1 1 1 27 2  2  o 41.036  2.1183 13.337   1.3581  13.114   1.9417  13.551   1.9002  40.459  3.0845 41.164  2.9645 -0.7048798     4.278183 
1 1 1 27 2  3  o 31.900  2.5898 8.1205   1.2839  7.9211   1.8043  8.3251   1.8275  31.198  3.7652 32.010  3.7106 -0.8118286     5.286332 
1 1 1 27 2  4  o 42.192  2.2406 14.115   1.4767  12.243   2.0616  16.086   2.1161  38.988  3.4072 44.847  3.0277 -5.858711      4.558065 
1 1 1 27 2  5  o 18.272  4.4571 2.8118   1.2653  3.4441   1.7696  2.1503   1.8100  20.100  5.4700 16.654  5.7293 3.445368       7.921252 
1 1 1 27 2  6  o 28.608  2.9862 6.5831   1.3195  7.4861   1.8671  5.6823   1.8649  30.227  4.0414 26.051  4.7412 4.176394       6.229935 
1 1 1 27 2  7  o 52.611  1.9573 21.844   1.6143  22.840   2.2779  20.839   2.2881  53.562  2.7218 51.112  2.8672 2.449970       3.953356 
1 1 1 27 2  8  o 33.978  2.8496 9.2425   1.5038  10.541   2.0568  7.7511   2.2043  36.059  3.6905 30.513  4.7639 5.546576       6.026165 
1 1 1 27 2  9  o 17.615  4.9157 2.6154   1.4090  1.2158   1.9608  4.1100   2.0262  14.818  5.8040 21.848  5.8138 -7.029657      8.214972 
1 1 1 27 2  10 o 60.552  1.9596 28.942   1.8602  28.487   2.5094  29.498   2.7716  59.895  2.6725 60.876  2.9042 -0.9817390     3.946718 
1 1 1 27 2  11 o 40.924  2.3989 13.312   1.5323  10.911   2.1077  16.004   2.2316  36.668  3.7181 44.652  3.2095 -7.983616      4.911688 
1 1 1 27 2  12 o 38.215  2.5374 11.635   1.5115  11.983   2.0780  11.243   2.2025  38.518  3.4789 37.182  3.8336 1.335915       5.176763 
1 1 1 27 2  13 o 22.594  3.9131 4.2256   1.3358  5.6027   1.9476  3.0024   1.8355  25.737  5.0074 18.853  5.7149 6.883938       7.598329 
1 1 1 27 2  14 o 38.357  2.3962 11.705   1.4336  13.714   2.1665  10.139   1.9122  41.244  3.3804 35.390  3.4921 5.854195       4.860246 
1 1 1 27 2  15 o 25.772  3.3005 5.3987   1.3029  4.5912   1.9080  6.1041   1.7834  23.127  5.3662 27.105  4.3437 -3.977894      6.903910 
1 1 1 27 2  16 o 47.762  1.9597 18.019   1.4673  19.416   2.1011  16.689   2.0501  49.330  2.7275 45.677  2.8778 3.652931       3.964982 
1 1 1 27 2  17 o 53.392  1.8200 22.497   1.5234  25.116   2.1887  20.035   2.1216  56.251  2.4820 50.110  2.7109 6.140701       3.675476 
1 1 1 27 2  18 o 11.472  4.4364 0.7361   1.1344  0.1006   1.6185  1.3497   1.5904  11.681  4.9902 14.217  5.3093 -2.535837      7.286312 
1 1 1 27 2  19 o 44.508  1.9986 15.661   1.3945  16.151   2.0155  15.212   1.9315  44.906  2.8781 43.588  2.8422 1.318459       4.044999 
1 1 1 27 2  20 o 39.065  2.1903 12.125   1.3359  12.494   1.9225  11.781   1.8578  39.381  3.1401 38.238  3.1265 1.143116       4.431208 
1 1 1 27 2  21 o 38.697  2.2180 11.906   1.3399  13.342   1.9248  10.556   1.8664  40.727  3.0366 36.102  3.3355 4.624931       4.510722 
1 1 1 27 2  22 o 32.442  2.6324 8.4356   1.3272  12.476   1.9121  4.6788   1.8438  39.333  3.1268 23.303  5.1813 16.02977       6.051674 
1 1 1 27 2  23 o 66.863  1.6506 35.273   1.7302  36.536   2.4554  34.028   2.4385  67.838  2.3088 65.443  2.3768 2.394669       3.313584 
1 1 1 27 2  24 o 15.825  4.4808 2.1196   1.1619  2.6968   1.6617  1.5673   1.6253  17.783  5.4473 14.739  5.3917 3.044071       7.664483 
1 1 1 27 2  25 o 18.252  4.2390 2.8332   1.1897  3.0533   1.6990  2.6215   1.6665  18.777  5.4506 17.554  5.4682 1.222946       7.720776 
1 1 1 27 2  26 o 29.447  2.8492 7.0045   1.2989  7.6947   1.8920  6.3893   1.7863  30.434  4.0674 27.613  4.2638 2.820866       5.892701 
1 1 1 27 2  27 o 39.054  2.2373 12.159   1.3640  12.870   1.9622  11.494   1.8975  39.856  3.1666 37.619  3.2494 2.236988       4.537218 
1 1 1 27 2  28 o 28.178  2.8418 6.4278   1.2382  8.1125   1.7769  4.8378   1.7262  31.375  3.6827 23.701  4.8103 7.673637       6.058131 
1 1 1 27 2  29 o 34.127  2.4389 9.3363   1.2962  8.6449   1.9027  9.9349   1.7705  32.311  3.8311 34.906  3.2738 -2.595303      5.039329 
1 1 1 27 2  30 o 37.836  2.2458 11.436   1.3261  11.711   1.9496  11.199   1.8092  37.878  3.3166 37.112  3.1392 0.7662239      4.566664 
1 1 1 27 2  31 o 26.852  2.9323 5.8728   1.2143  4.2840   1.7593  7.3184   1.6782  22.040  5.1795 29.710  3.6820 -7.670418      6.354822 
1 1 1 27 2  32 o 11.118  4.4378 0.6176   1.1664  1.5282   1.7018  -0.1891  1.6017  14.590  5.4835 10.951  4.8181 3.638455       7.299531 
1 1 1 27 2  33 o 35.388  2.4790 10.077   1.3666  11.522   1.9399  8.6538   1.9255  37.471  3.3374 32.170  3.8976 5.301041       5.131239 
1 1 1 27 2  34 o 18.871  4.1681 3.0739   1.2001  1.4962   1.7193  4.5731   1.6760  14.477  5.4955 22.818  4.8356 -8.341750      7.320099 
1 1 1 27 2  35 o 21.445  4.1073 3.9487   1.3305  6.1741   1.7929  1.2207   1.9851  26.778  4.4255 14.366  5.7700 12.41226       7.271678 
1 1 1 27 2  36 o 29.168  2.9120 6.9631   1.3137  5.8686   1.8256  8.1386   1.8920  25.920  4.6642 31.018  3.9829 -5.097399      6.133396 
1 1 1 27 2  37 o 12.451  4.5910 1.1402   1.1817  1.9970   1.7071  0.3518   1.6376  15.513  5.5458 11.848  5.0393 3.664660       7.493424 
1 1 1 27 2  38 o 17.573  4.5841 2.7468   1.2761  3.1694   1.7973  2.3171   1.8122  18.549  5.6623 16.344  5.7265 2.205463       8.053208 
1 1 1 27 2  39 f 12.082  4.6719 0.9613   1.2580  0.1034   1.9098  1.6189   1.6719  12.120  5.2983 14.467  5.4357 -2.347540      7.590717 
1 1 1 27 2  40 o 15.301  4.9758 2.0620   1.3675  0.0488   1.9679  3.9421   1.9017  12.157  5.3446 20.452  5.7120 -8.295749      7.822481 
1 1 1 27 2  41 o 10.417  4.5475 0.0087   1.4027  -0.7513  1.9410  0.8395   2.0294  10.985  5.0250 13.500  5.6689 -2.515558      7.575478 
1 1 1 27 2  42 o 19.773  4.7508 3.5470   1.4542  2.6989   1.9357  4.6459   2.2034  17.127  5.9231 21.808  6.1687 -4.680792      8.552018 
1 1 1 27 2  43 o 23.833  3.8085 4.8950   1.3750  4.1736   1.8289  5.8329   2.0853  21.011  5.4914 24.949  5.4815 -3.937578      7.759035 
1 1 1 27 2  44 o 34.403  2.7064 9.7123   1.4478  8.0625   2.0227  11.446   2.0733  30.256  4.3928 36.717  3.6504 -6.460409      5.711632 
1 1 1 27 2  45 o 21.316  3.9965 3.9833   1.2864  1.4283   1.7998  6.6517   1.8394  14.031  5.5402 27.382  4.4367 -13.35170      7.097783 
1 1 1 27 2  46 o 23.316  3.5678 4.6611   1.2626  4.7954   1.7677  4.5212   1.8042  22.714  5.0904 21.888  5.3117 0.8256760      7.357050 
1 1 1 27 2  47 o 18.331  4.5780 3.0724   1.3116  3.6814   1.9456  2.5650   1.7759  19.359  5.8872 16.552  5.6762 2.807486       8.177944 
1 1 1 27 2  48 o 11.856  4.6266 0.9637   1.2424  1.5920   1.7263  0.2886   1.7895  14.160  5.4737 11.835  5.1523 2.325115       7.517139 
1 1 1 27 2  49 o 34.071  2.6108 9.5541   1.3839  8.6014   1.9479  10.525   1.9664  31.294  4.0668 35.015  3.6353 -3.721159      5.454710 
1 1 1 27 2  50 o 11.637  4.6256 0.8876   1.2624  -0.4189  1.7625  2.2638   1.8089  10.651  4.8398 15.627  5.6924 -4.975571      7.471776 
1 1 1 27 2  51 o 9.4197  4.2184 -0.2149  1.2837  0.5786   1.8352  -0.9750  1.7963  12.241  5.2732 10.019  4.6706 2.222182       7.044181 
1 1 1 27 2  52 o 57.286  2.0043 26.523   1.7999  27.822   2.5859  25.302   2.5069  57.782  2.8547 54.967  2.9197 2.814472       4.083380 
1 1 1 27 2  53 o 9.8301  4.3059 0.1024   1.2670  -0.7070  1.7841  0.9258   1.7995  10.177  4.7137 12.582  5.3136 -2.404103      7.103084 
1 1 1 27 3  0  o 33.103  3.8058 9.0157   1.9073  9.0157   1.9073  9.0157   1.9073  33.103  3.8058 33.103  3.8058 0.000000       0.000000 
1 1 1 27 3  1  o 53.148  1.9391 22.308   1.6156  22.853   2.4087  21.863   2.1782  53.478  2.8838 52.378  2.6615 1.099709       3.924313 
1 1 1 27 3  2  o 39.581  2.2450 12.443   1.3873  9.2846   1.9175  15.911   2.0096  33.777  3.6808 44.594  2.8902 -10.81639      4.679920 
1 1 1 27 3  3  o 38.815  2.3075 11.977   1.3977  10.853   2.0559  12.942   1.9060  36.562  3.6351 40.150  3.0510 -3.588173      4.745804 
1 1 1 27 3  4  o 24.998  3.3082 5.0872   1.2646  6.8547   1.7363  3.0902   1.8456  28.883  3.9372 19.061  5.7200 9.821922       6.944037 
1 1 1 27 3  5  o 20.471  3.9852 3.4969   1.2329  3.5586   1.7124  3.4306   1.7766  20.358  5.3101 19.984  5.4983 0.3744144      7.643847 
1 1 1 27 3  6  o 18.081  4.3364 2.7621   1.2133  1.4584   1.6964  4.1275   1.7360  14.711  5.4855 21.954  5.1356 -7.242854      7.514354 
1 1 1 27 3  7  o 33.087  2.5435 8.7445   1.3092  9.7657   1.8283  7.6698   1.8755  34.731  3.4016 30.543  4.0143 4.188261       5.261720 
1 1 1 27 3  8  o 41.751  2.1246 13.826   1.3860  12.399   1.9360  15.327   1.9850  39.243  3.1742 43.744  2.9113 -4.500793      4.307073 
1 1 1 27 3  9  f 24.869  3.2214 5.0302   1.2264  6.3894   1.7483  3.7134   1.7208  27.784  4.1404 20.776  5.2742 7.007641       6.705209 
1 1 1 27 3  10 o 34.818  2.3894 9.6612   1.2963  10.710   1.8632  8.6770   1.8047  36.406  3.3005 32.648  3.5852 3.758064       4.873077 
1 1 1 27 3  11 o 41.838  2.2060 13.902   1.4417  13.520   2.1441  14.216   1.9479  40.904  3.3738 42.089  2.9713 -1.185467      4.495630 
1 1 1 27 3  12 o 33.472  2.5886 8.9617   1.3478  8.2793   1.9339  9.6060   1.8793  31.735  3.9745 34.373  3.5381 -2.637871      5.321167 
1 1 1 27 3  13 o 45.257  2.1876 16.225   1.5520  19.206   2.2391  13.469   2.1532  48.951  2.9313 40.802  3.3971 8.148773       4.486953 
1 1 1 27 3  14 o 20.257  4.3164 3.4675   1.3288  2.0246   1.8061  5.1700   1.9619  16.207  5.7140 24.512  5.2627 -8.305361      7.768276 
1 1 1 27 3  15 o 12.038  4.8530 0.6310   1.4099  0.2701   2.0841  0.9357   1.9146  13.328  5.6773 14.042  5.6572 -0.7144585     8.014742 
1 1 1 27 3  16 o 51.112  2.1776 20.707   1.7449  18.742   2.3088  23.323   2.6646  48.275  3.0666 53.826  3.1718 -5.550873      4.411849 
1 1 1 27 3  17 o 16.660  4.8633 2.3534   1.3492  1.5175   1.7532  3.5673   2.1127  14.880  5.5711 20.237  6.1306 -5.356330      8.283768 
1 1 1 27 3  18 o 17.042  5.2632 2.4546   1.5476  3.2523   1.9936  1.2450   2.4551  19.393  5.9710 15.759  6.3860 3.633961       8.742650 
1 1 1 27 3  19 o 24.956  4.0650 5.1996   1.5356  3.7429   2.1334  6.7657   2.2121  20.634  6.1404 28.055  5.2218 -7.421085      8.060495 
1 1 1 27 3  20 o 44.103  2.3347 15.504   1.6084  14.998   2.3033  15.985   2.2469  42.956  3.4495 44.443  3.2475 -1.487682      4.737649 
1 1 1 27 3  21 o 31.355  2.9633 7.9525   1.4393  8.5145   2.1579  7.5021   1.9318  31.871  4.4396 29.976  4.2284 1.895155       6.131073 
1 1 1 27 3  22 o 38.573  2.5941 11.930   1.5595  13.430   2.2253  10.482   2.1862  40.560  3.5351 35.603  3.9854 4.957287       5.327286 
1 1 1 27 3  23 o 24.979  3.4894 5.1466   1.3291  4.6652   2.0473  5.4973   1.7473  22.929  5.7159 25.420  4.5519 -2.491499      7.306958 
1 1 1 27 3  24 o 22.654  3.8201 4.2948   1.3084  5.9459   2.0743  3.2038   1.6861  26.122  5.2476 19.109  5.3932 7.012451       7.524853 
1 1 1 27 3  25 o 52.884  1.9301 22.171   1.6002  21.033   2.4437  23.025   2.1172  50.988  3.0716 53.683  2.5157 -2.694984      3.970332 
1 1 1 27 3  26 o 43.741  2.0918 15.204   1.4343  13.796   2.0610  16.528   1.9974  41.170  3.2189 45.268  2.8289 -4.097794      4.285302 
1 1 1 27 3  27 o 46.116  1.9699 16.882   1.4241  19.305   2.0913  14.787   1.9447  48.958  2.7358 42.749  2.9193 6.209839       4.000885 
1 1 1 27 3  28 o 21.751  3.6821 3.9711   1.2107  2.3463   1.7374  5.5051   1.6882  16.651  5.6148 25.379  4.4028 -8.727489      7.135176 
1 1 1 27 3  29 o 39.752  2.1921 12.634   1.3608  10.613   1.9832  14.433   1.8707  35.837  3.5778 42.221  2.8429 -6.383842      4.569822 
1 1 1 27 3  30 o 12.187  4.5715 1.0177   1.1817  2.4269   1.7316  -0.2106  1.6166  16.783  5.6057 10.928  4.8227 5.854681       7.394777 
1 1 1 27 3  31 o 36.360  2.3735 10.630   1.3455  10.197   1.9666  11.011   1.8448  35.026  3.6346 36.614  3.2477 -1.588516      4.874154 
1 1 1 27 3  32 o 18.726  4.3156 3.0582   1.2409  3.3362   1.8959  2.8499   1.6412  19.116  5.8113 17.830  5.4038 1.285280       7.935462 
1 1 1 27 3  33 o 13.176  4.8432 1.3030   1.3137  2.9157   1.7850  -0.6023  1.9403  17.956  5.6695 11.306  5.1137 6.649840       7.635046 
1 1 1 27 3  34 o 14.444  4.8284 1.7673   1.2846  3.7333   1.9042  0.1251   1.7404  20.049  5.7561 11.741  5.0962 8.308373       7.687906 
1 1 1 27 3  35 o 13.821  4.9234 1.5412   1.3442  0.7973   2.0001  2.1540   1.8153  13.476  5.6417 15.932  5.7165 -2.455781      8.031605 
1 1 1 27 3  36 o 37.154  2.7085 11.256   1.5667  13.216   2.0923  8.7554   2.3638  39.856  3.3806 31.348  4.9762 8.507502       6.015936 
1 1 1 27 3  37 f 33.379  3.1414 9.2333   1.6244  7.7390   2.1869  11.073   2.4264  29.430  4.9132 35.675  4.4342 -6.244570      6.618277 
1 1 1 27 3  38 o 22.915  4.0099 4.5568   1.3880  4.1310   1.7925  5.1945   2.1936  21.027  5.4073 23.244  5.9842 -2.216238      8.065365 
1 1 1 27 3  39 o 17.488  4.7350 2.7799   1.3300  2.3595   1.8025  3.2823   1.9706  16.230  5.7097 18.544  5.9678 -2.313734      8.259289 
1 1 1 27 3  40 o 10.323  4.3454 0.3289   1.1971  1.3702   1.6913  -0.7168  1.6948  13.778  5.3921 10.227  4.6846 3.551678       7.142815 
1 1 1 27 3  41 o 52.294  1.9143 21.884   1.5693  22.999   2.1480  20.607   2.2984  53.169  2.5770 49.976  2.9466 3.193363       3.914561 
1 1 1 27 3  42 o 12.690  4.6107 1.2876   1.1856  1.6114   1.6521  0.9436   1.7025  14.200  5.3878 12.865  5.2780 1.334196       7.542248 
1 1 1 27 3  43 o 13.279  4.7226 1.4717   1.2363  0.3246   1.7282  2.6742   1.7694  11.791  5.0982 16.859  5.6665 -5.067400      7.622376 
1 1 1 27 3  44 o 21.505  4.0820 4.0892   1.3258  1.6757   1.9222  6.2795   1.8311  14.632  5.7420 26.407  4.5898 -11.77522      7.351009 
1 1 1 27 3  45 o 39.815  2.4087 12.922   1.4964  15.068   2.2268  11.155   2.0205  42.231  3.3922 36.128  3.6161 6.103207       4.958134 
1 1 1 27 3  46 o 38.506  2.5137 12.145   1.5090  11.071   2.2967  12.961   2.0018  35.420  4.2191 39.197  3.2881 -3.776283      5.349061 
1 1 1 27 3  47 o 9.2946  4.2061 -0.3860  1.3145  1.6164   1.8949  -2.2437  1.8251  14.324  5.6755 8.9116  4.3065 5.412285       7.124411 
1 1 1 27 3  48 f 10.125  4.4128 0.1188   1.3157  -1.2391  1.9093  1.3469   1.8158  10.079  4.7362 13.611  5.5002 -3.531751      7.258315 
1 1 1 27 3  49 o 11.719  4.6969 0.9086   1.3123  0.9143   1.9136  0.9035   1.8031  12.911  5.4676 12.690  5.3370 0.2212420      7.640557 
1 1 1 27 3  50 o 37.130  2.6264 11.445   1.5189  8.7170   2.1649  14.090   2.1316  30.645  4.6525 40.486  3.3897 -9.840389      5.756340 
1 1 1 27 3  51 o 9.7443  4.3403 -0.0650  1.3396  0.9752   1.8468  -1.2200  1.9461  12.713  5.3767 10.037  4.7364 2.675655       7.165382 
1 1 1 27 3  52 o 35.885  2.7048 10.813   1.5104  13.204   2.0944  8.2206   2.1804  38.861  3.4745 29.140  4.9500 9.721361       6.047720 
1 1 1 27 4  0  o 79.861  2.2646 50.345   2.8300  50.345   2.8300  50.345   2.8300  79.861  2.2646 79.861  2.2646 0.000000       0.000000 
1 1 1 27 4  1  o 25.184  3.4414 5.1959   1.3231  5.5683   1.9817  4.8964   1.7772  25.477  5.1391 23.941  4.9004 1.536200       7.100939 
1 1 1 27 4  2  o 18.468  4.3009 2.8944   1.2220  3.0128   1.7262  2.7754   1.7300  18.721  5.5114 18.063  5.5624 0.6573467      7.830474 
1 1 1 27 4  3  o 66.650  1.6672 35.049   1.7420  33.605   2.4330  36.569   2.4952  65.038  2.3863 67.862  2.3454 -2.823387      3.345944 
1 1 1 27 4  4  o 52.682  1.9217 21.947   1.5871  21.436   2.1385  22.572   2.3680  51.801  2.6422 53.076  2.8564 -1.275257      3.891047 
1 1 1 27 4  5  o 28.483  2.9470 6.5564   1.2969  5.9270   1.8259  7.1972   1.8424  26.524  4.5552 29.466  4.0995 -2.941751      6.128252 
1 1 1 27 4  6  o 28.358  2.8821 6.4920   1.2635  4.5118   1.7907  8.4552   1.7830  22.873  5.1215 32.163  3.5979 -9.289835      6.258912 
1 1 1 27 4  7  o 28.312  2.9024 6.4749   1.2700  6.5412   1.8120  6.4108   1.7805  27.998  4.2629 27.725  4.2306 0.2736034      6.005853 
1 1 1 27 4  8  o 53.113  1.8073 22.291   1.5048  22.528   2.2088  22.085   2.0557  53.152  2.6509 52.679  2.4893 0.4722710      3.636442 
1 1 1 27 4  9  o 44.157  2.0015 15.436   1.3855  15.996   2.0269  14.946   1.8981  44.614  2.9140 43.153  2.8214 1.461472       4.056081 
1 1 1 27 4  10 o 7.9164  3.6957 -1.0064  1.1310  -2.1357  1.6332  0.0343   1.5678  8.7123  4.1749 11.333  4.8779 -2.620492      6.420603 
1 1 1 27 4  11 o 59.914  1.6880 28.343   1.5855  31.564   2.3088  25.469   2.1811  63.017  2.3371 56.565  2.4596 6.452026       3.392894 
1 1 1 27 4  12 o 56.459  1.7418 25.183   1.5416  24.599   2.2164  25.732   2.1458  55.553  2.5450 56.868  2.4069 -1.315006      3.502895 
1 1 1 27 4  13 o 9.6450  4.1911 -0.0987  1.1797  -0.3590  1.6973  0.1446   1.6408  11.110  4.9203 11.749  5.0218 -0.6385326     7.030499 
1 1 1 27 4  14 o 77.024  1.6151 46.831   1.9502  47.993   3.0617  46.037   2.5298  77.587  2.5172 76.177  2.1184 1.409996       3.290026 
1 1 1 27 4  15 o 64.978  1.6663 33.348   1.6974  35.010   2.5325  31.993   2.2871  66.291  2.4369 63.426  2.3002 2.865536       3.351033 
1 1 1 27 4  16 o 38.370  2.2572 11.744   1.3518  12.172   1.9739  11.366   1.8550  38.697  3.2849 37.422  3.1926 1.275005       4.580758 
1 1 1 27 4  17 o 21.036  3.8287 3.7132   1.2161  4.0107   1.7847  3.4554   1.6615  21.361  5.3430 19.859  5.2552 1.502298       7.494335 
1 1 1 27 4  18 o 18.143  4.5650 2.8398   1.2973  2.7827   1.8628  2.8935   1.8077  17.985  5.8038 18.254  5.6966 -0.2688160     8.132386 
1 1 1 27 4  19 o 50.729  1.8405 20.379   1.4637  21.727   2.2006  19.309   1.9600  52.008  2.7085 49.085  2.5560 2.922241       3.724136 
1 1 1 27 4  20 o 20.585  4.1118 3.6032   1.2805  1.2938   1.9160  5.4671   1.7213  14.563  5.7271 25.309  4.5034 -10.74597      7.285623 
1 1 1 27 4  21 f 47.175  2.0431 17.678   1.5110  17.809   2.3495  17.585   1.9731  46.793  3.2226 46.747  2.7040 0.4580688E-01  4.206746 
1 1 1 27 4  22 f 16.548  4.6111 2.3698   1.2408  2.1859   1.7469  2.5569   1.7627  16.275  5.6268 17.246  5.6512 -0.9711761     7.974766 
1 1 1 27 4  23 o 8.5364  3.8836 -0.5876  1.1392  -1.0094  1.6082  -0.1629  1.6139  9.7933  4.5145 11.034  4.8459 -1.240964      6.622952 
1 1 1 27 4  24 o 16.732  4.6423 2.4374   1.2605  5.9862   1.8440  -0.6753  1.7270  26.349  4.6333 10.636  4.8164 15.71303       6.683183 
1 1 1 27 4  25 o 33.564  2.6938 9.1174   1.4055  8.3095   1.8449  10.235   2.1696  31.543  3.8079 34.920  4.0378 -3.376328      5.550107 
1 1 1 27 4  26 o 12.240  4.7479 0.9298   1.3025  0.7089   1.7145  1.2312   2.0029  12.810  5.2806 14.457  5.7996 -1.647109      7.843464 
1 1 1 27 4  27 o 21.006  4.0403 3.7825   1.2822  3.7624   1.6400  3.8140   2.0563  20.502  5.1184 20.336  6.0230 0.1660004      7.904071 
1 1 1 27 4  28 o 45.320  2.0925 16.388   1.4867  14.942   1.8937  18.711   2.4002  42.877  2.8332 47.758  3.2248 -4.880341      4.292589 
1 1 1 27 4  29 o 31.247  2.9595 8.0009   1.4324  8.7273   1.8689  6.9666   2.2301  32.228  3.7705 27.867  5.2984 4.360682       6.503093 
1 1 1 27 4  30 o 11.587  4.8880 0.3994   1.5201  1.1600   1.9133  -0.9023  2.5030  13.992  5.6488 12.448  5.6989 1.543877       8.024122 
1 1 1 27 4  31 o 23.750  4.5487 4.9639   1.6319  6.0557   2.1519  3.4859   2.5036  25.688  5.5088 19.250  6.7317 6.437923       8.698394 
1 1 1 27 4  32 f 12.560  5.0179 0.9350   1.4926  1.9576   2.0134  -0.3128  2.2241  15.660  5.9465 12.353  5.5407 3.306811       8.127715 
1 1 1 27 4  33 o 42.091  2.5630 14.390   1.6832  13.246   2.4005  15.497   2.3607  39.461  3.9328 43.026  3.5310 -3.565468      5.285365 
1 1 1 27 4  34 o 12.663  4.8776 1.1196   1.3670  1.2502   1.9615  0.9963   1.9063  14.087  5.7082 13.513  5.5691 0.5737915      7.974866 
1 1 1 27 4  35 o 30.606  2.8370 7.7146   1.3457  9.0676   2.0275  6.6493   1.7992  32.414  4.0805 27.560  4.3051 4.853765       5.931659 
1 1 1 27 4  36 o 28.087  3.4043 6.6539   1.4683  4.6158   2.3872  7.8941   1.8622  21.442  6.5214 30.216  4.0320 -8.774427      7.667158 
1 1 1 27 4  37 o 7.4571  3.6032 -1.7756  1.2769  -1.8235  1.8157  -1.7287  1.7961  9.3667  4.4648 9.3952  4.4678 -0.2857685E-01 6.316281 
1 1 1 27 4  38 o 37.535  2.4436 11.471   1.4300  11.266   2.0994  11.648   1.9532  36.311  3.7417 37.201  3.3862 -0.8900146     5.046502 
1 1 1 27 4  39 o 31.357  2.9640 8.1718   1.4398  10.309   2.2470  6.6833   1.8753  34.263  4.2764 27.332  4.5357 6.931602       6.233849 
1 1 1 27 4  40 o 22.768  4.1059 4.5771   1.4116  3.5210   2.1291  5.4053   1.8855  18.822  6.2129 24.059  5.1543 -5.236826      8.072656 
1 1 1 27 4  41 o 42.181  2.3653 14.474   1.5577  15.293   2.3925  13.871   2.0524  42.335  3.6404 40.643  3.2483 1.691284       4.878905 
1 1 1 27 4  42 o 22.737  4.1480 4.5935   1.4241  8.1907   2.2080  2.0313   1.8635  29.913  4.8765 15.255  5.7373 14.65777       7.529679 
1 1 1 27 4  43 o 29.316  3.3309 7.2982   1.5036  7.3976   2.1619  7.2050   2.0927  28.180  5.0807 27.900  4.9667 0.2796021      7.105043 
1 1 1 27 4  44 o 8.2677  3.9332 -1.3843  1.3948  -3.5794  2.0147  0.6360   1.9329  8.5064  4.1966 12.625  5.4248 -4.118615      6.858588 
1 1 1 27 4  45 o 9.7160  4.3930 -0.3510  1.4305  1.7485   2.1150  -2.1211  1.9420  14.762  5.9463 9.3442  4.4971 5.417395       7.455402 
1 1 1 27 4  46 o 17.609  4.9267 2.9713   1.4135  5.1454   2.0096  0.8426   1.9885  22.673  5.6689 12.944  5.5304 9.728936       7.919743 
1 1 1 27 4  47 o 21.225  4.3196 4.1415   1.3884  4.0469   1.9430  4.2402   1.9847  19.775  5.8543 20.210  5.8982 -0.4355240     8.310312 
1 1 1 27 4  48 f 14.283  4.8808 1.9154   1.3130  0.6816   1.8819  3.0855   1.8327  12.327  5.3250 17.279  5.7671 -4.952271      7.849531 
1 1 1 27 4  49 o 23.735  4.0547 5.1347   1.4545  5.4978   2.1750  4.8409   1.9563  22.666  6.0197 21.539  5.7035 1.126656       8.292595 
1 1 1 27 5  0  o 41.102  2.9602 13.570   1.8847  13.570   1.8847  13.570   1.8847  41.102  2.9602 41.102  2.9602 0.000000       0.000000 
1 1 1 27 5  1  o 21.864  3.7392 3.9918   1.2356  5.4353   1.8155  2.7462   1.6864  25.181  4.7738 17.841  5.4915 7.339207       7.276395 
1 1 1 27 5  2  o 38.421  2.3036 11.786   1.3811  13.820   2.1990  10.461   1.7747  41.172  3.4385 35.886  3.1879 5.286118       4.688924 
1 1 1 27 5  3  o 46.123  1.9246 16.852   1.3916  20.122   2.0104  13.843   1.9281  50.134  2.5666 41.398  2.9912 8.736080       3.941395 
1 1 1 27 5  4  o 46.227  1.8909 16.923   1.3703  16.659   1.9743  17.168   1.9035  45.518  2.7801 46.269  2.6352 -0.7514763     3.830560 
1 1 1 27 5  5  o 18.992  4.0941 3.0663   1.1830  3.0242   1.6724  3.1085   1.6738  18.611  5.4092 18.852  5.3919 -0.2402191     7.637576 
1 1 1 27 5  6  o 42.741  2.0316 14.492   1.3613  17.086   1.9360  11.955   1.9144  46.130  2.6888 38.358  3.2133 7.772167       4.189886 
1 1 1 27 5  7  o 31.068  2.6299 7.7715   1.2689  8.7160   1.7628  6.7559   1.8279  32.594  3.5049 28.354  4.2427 4.239872       5.503160 
1 1 1 27 5  8  o 48.948  1.8848 18.978   1.4463  18.609   2.0341  19.356   2.0568  48.131  2.7068 49.101  2.6822 -0.9697037     3.810645 
1 1 1 27 5  9  o 23.564  3.3256 4.5757   1.1943  4.7574   1.6549  4.3781   1.7254  23.533  4.6506 22.405  5.0351 1.128290       6.854203 
1 1 1 27 5  10 o 24.464  3.3154 4.9269   1.2388  5.5604   1.7161  4.2376   1.7901  25.569  4.4423 21.940  5.2705 3.629623       6.892898 
1 1 1 27 5  11 f 19.214  4.1394 3.1507   1.2100  3.1197   1.6475  3.1871   1.7830  18.838  5.3361 19.008  5.6029 -0.1699886     7.737335 
1 1 1 27 5  12 f 81.895  1.5080 52.947   1.9361  54.055   2.7137  51.798   2.7631  82.473  2.0989 80.687  2.1845 1.786140       3.029377 
1 1 1 27 5  13 o 13.057  4.7172 1.2584   1.2385  1.3989   1.8401  1.1421   1.6746  14.608  5.6500 13.709  5.3653 0.8991213      7.791583 
1 1 1 27 5  14 o 36.490  2.2587 10.650   1.2858  8.2383   1.7698  13.345   1.8711  31.561  3.6439 40.585  2.9613 -9.024599      4.695500 
1 1 1 27 5  15 o 41.447  2.0569 13.655   1.3365  13.756   1.8447  13.543   1.9389  41.237  2.8714 40.835  3.0509 0.4020462      4.189643 
1 1 1 27 5  16 o 44.476  1.9944 15.715   1.3906  14.333   1.8956  17.325   2.0461  42.076  2.8914 46.305  2.8323 -4.229782      4.047488 
1 1 1 27 5  17 o 64.451  1.6194 32.858   1.6362  29.933   2.2644  36.054   2.3669  61.205  2.3600 67.232  2.2457 -6.027641      3.257712 
1 1 1 27 5  18 o 55.506  1.8456 24.443   1.6060  23.902   2.1599  25.112   2.4016  54.603  2.5233 55.855  2.7427 -1.251907      3.726864 
1 1 1 27 5  19 o 15.819  4.5045 2.1688   1.1708  0.9855   1.5794  3.6126   1.7445  13.064  5.1799 20.052  5.4203 -6.987964      7.497391 
1 1 1 27 5  20 o 16.804  4.3713 2.4583   1.1625  3.3380   1.6348  1.5585   1.6533  19.309  5.2587 14.502  5.4139 4.806944       7.547400 
1 1 1 27 5  21 o 18.897  4.1334 3.0847   1.1904  3.7437   1.6850  2.4279   1.6821  20.417  5.2385 16.713  5.5226 3.703423       7.611927 
1 1 1 27 5  22 o 49.974  1.8441 19.842   1.4448  19.599   1.9955  20.110   2.0945  49.282  2.5920 49.869  2.6890 -0.5863724     3.734910 
1 1 1 27 5  23 o 24.597  3.4756 5.0606   1.3029  4.3470   1.8337  5.7882   1.8515  21.883  5.3825 25.679  4.7751 -3.795980      7.195348 
1 1 1 27 5  24 o 22.681  3.9364 4.3972   1.3489  4.4394   1.7951  4.3425   2.0443  22.146  5.2504 21.594  5.8803 0.5519848      7.883203 
1 1 1 27 5  25 o 39.088  2.4721 12.345   1.5070  9.7681   1.9653  16.024   2.3480  34.097  3.7380 43.967  3.4338 -9.870029      5.075771 
1 1 1 27 5  26 o 19.560  4.8488 3.4385   1.4794  2.9294   1.9387  4.1484   2.2890  17.905  5.9294 20.797  6.3973 -2.892164      8.722615 
1 1 1 27 5  27 o 16.094  4.8200 2.3089   1.3115  4.2066   1.7675  -0.0157  1.9562  21.400  5.2969 12.067  5.3163 9.333098       7.504651 
1 1 1 27 5  28 o 38.094  2.4758 11.763   1.4705  12.708   2.0681  10.796   2.0913  39.037  3.4138 35.710  3.7937 3.326172       5.103562 
1 1 1 27 5  29 o 20.091  4.2987 3.5659   1.3130  2.2112   1.9712  4.6461   1.7603  16.083  5.9296 22.542  5.1004 -6.458578      7.821389 
1 1 1 27 5  30 o 33.990  2.5478 9.4117   1.3477  10.714   1.9603  8.2439   1.8560  35.665  3.5534 31.028  3.9018 4.636816       5.277428 
1 1 1 27 5  31 o 10.912  4.4651 0.5623   1.2145  -0.4680  1.7286  1.5667   1.7066  10.679  4.8287 14.261  5.4605 -3.581990      7.289217 
1 1 1 27 5  32 o 18.825  4.5464 3.2035   1.3266  -0.3077  1.9388  6.2941   1.8190  11.476  5.1583 26.607  4.5229 -15.13163      6.860365 
1 1 1 27 5  33 o 23.858  3.5799 4.8695   1.2976  6.9198   1.9039  3.0908   1.7733  27.896  4.5071 18.022  5.6452 9.874512       7.223731 
1 1 1 27 5  34 o 18.103  5.1102 3.0658   1.5137  1.3450   2.0981  4.9336   2.1859  14.320  5.8652 22.333  6.0801 -8.013163      8.447963 
1 1 1 27 5  35 o 25.476  3.9694 5.6623   1.5337  8.0259   2.1313  3.1240   2.2086  29.839  4.7127 17.914  6.3184 11.92496       7.882345 
1 1 1 27 5  36 o 30.532  3.4894 7.9324   1.6402  9.2135   2.1977  6.3220   2.4641  32.155  4.4817 25.083  6.2806 7.072872       7.715644 
1 1 1 27 5  37 o 13.262  5.1032 1.3448   1.4953  -0.5622  1.9057  4.3990   2.4118  10.949  4.9974 20.580  6.6000 -9.630669      8.278503 
1 1 1 27 5  38 o 13.028  5.0293 1.2819   1.4559  3.1078   1.8921  -1.3684  2.2796  17.819  5.8557 11.045  5.1854 6.773523       7.821639 
1 1 1 27 5  39 o 21.357  4.3037 4.1101   1.3911  2.7166   1.9180  5.6569   2.0207  16.811  5.8912 24.270  5.4450 -7.458879      8.022121 
1 1 1 27 5  40 o 35.493  2.7536 10.431   1.5202  10.274   2.0803  10.611   2.2269  34.299  3.9404 34.643  4.1853 -0.3431282     5.748320 
1 1 1 27 5  41 o 11.892  4.8758 0.8160   1.4519  -1.0724  2.0997  2.5462   2.0097  10.797  5.0387 16.329  5.9922 -5.531703      7.829127 
1 1 1 27 5  42 o 25.660  3.9197 5.8159   1.5267  7.0567   2.3091  4.8522   2.0350  26.768  5.6785 21.924  5.8227 4.844021       8.133243 
1 1 1 27 5  43 o 29.145  3.3862 7.3001   1.5183  4.9776   2.3528  8.9575   1.9875  21.504  6.4595 31.707  4.0942 -10.20329      7.647680 
1 1 1 27 5  44 o 22.719  4.1929 4.6938   1.4383  4.5523   2.3512  4.7785   1.8181  20.360  6.5152 22.008  5.3271 -1.647873      8.415814 
1 1 1 27 5  45 o 50.618  2.2632 20.934   1.7959  21.831   3.1183  20.488   2.1968  49.410  4.0617 49.430  2.8470 -0.2014542E-01 4.960143 
1 1 1 27 5  46 o 16.946  5.2482 2.8966   1.5376  0.5765   2.5520  4.2189   1.9265  13.220  5.9320 19.969  5.8063 -6.748876      8.300722 
1 1 1 27 5  47 o 10.201  4.5019 0.1353   1.4089  -1.2642  2.1680  1.1582   1.8536  10.445  4.9500 12.884  5.4144 -2.438744      7.336082 
1 1 1 27 6  0  o 19.581  6.3052 3.9321   1.7088  3.9321   1.7088  3.9321   1.7088  19.581  6.3052 19.581  6.3052 0.000000       0.000000 
1 1 1 27 6  1  o 9.5135  4.2198 -0.2893  1.2531  -0.2871  1.9339  -0.2908  1.6452  11.837  5.2468 10.927  4.8416 0.9097271      7.139350 
1 1 1 27 6  2  o 13.724  4.6908 1.5114   1.2127  0.7750   1.7345  2.2158   1.6963  13.044  5.3365 16.258  5.5478 -3.214306      7.697771 
1 1 1 27 6  3  o 11.790  4.5876 0.8248   1.2189  0.0593   1.6675  1.7032   1.7861  11.559  5.0027 15.116  5.6302 -3.556960      7.531668 
1 1 1 27 6  4  o 6.5522  3.2263 -2.3652  1.1719  -3.1110  1.6552  -1.6156  1.6594  7.8901  3.8751 9.2554  4.3694 -1.365255      5.840212 
1 1 1 27 6  5  o 30.344  2.7803 7.4714   1.3079  9.4213   1.9077  5.7420   1.7966  33.705  3.6698 25.803  4.6106 7.901346       5.892793 
1 1 1 27 6  6  o 39.032  2.2614 12.198   1.3778  13.509   1.9482  10.886   1.9487  40.729  3.0739 36.355  3.4611 4.374638       4.629045 
1 1 1 27 6  7  f 35.244  2.3799 9.9770   1.3072  11.919   1.8688  8.1163   1.8291  38.203  3.1484 31.174  3.8230 7.029640       4.952561 
1 1 1 27 6  8  o 33.360  2.5403 8.9758   1.3185  9.0313   1.8506  8.9186   1.8790  32.988  3.6392 32.735  3.7280 0.2525597      5.209760 
1 1 1 27 6  9  o 10.037  4.2861 0.1155   1.1932  0.4767   1.6719  -0.2594  1.7034  12.277  5.1500 11.137  4.9309 1.140206       7.129924 
1 1 1 27 6  10 o 28.362  2.9267 6.5684   1.2826  7.3474   1.7956  5.7570   1.8327  29.539  3.9788 25.738  4.7158 3.800842       6.170077 
1 1 1 27 6  11 o 20.645  3.8167 3.6190   1.1897  4.1868   1.6569  3.0145   1.7094  21.743  4.9694 18.351  5.5045 3.392038       7.415818 
1 1 1 27 6  12 o 16.219  4.5402 2.2955   1.2000  3.0699   1.6685  1.4657   1.7272  18.500  5.4106 14.400  5.4981 4.100432       7.713867 
1 1 1 27 6  13 o 30.944  2.7181 7.7765   1.3052  6.8122   1.8339  8.7661   1.8579  28.237  4.2769 32.394  3.7264 -4.157125      5.672537 
1 1 1 27 6  14 o 33.906  2.4621 9.2742   1.2998  8.9152   1.8098  9.6566   1.8679  32.730  3.5859 34.097  3.5463 -1.367306      5.043327 
1 1 1 27 6  15 o 12.371  4.5535 1.1150   1.1618  1.3016   1.5934  0.9032   1.6976  13.730  5.2717 13.097  5.3091 0.6336298      7.481792 
1 1 1 27 6  16 o 28.153  2.8673 6.4846   1.2478  7.0589   1.7144  5.8375   1.8197  28.907  3.8811 25.843  4.6632 3.063755       6.067023 
1 1 1 27 6  17 o 39.486  2.5487 12.607   1.5692  13.160   2.2124  12.048   2.2260  39.761  3.5880 37.901  3.7976 1.860611       5.224516 
1 1 1 27 6  18 o 27.176  3.3253 6.1442   1.3871  5.2413   1.8242  7.3815   2.1356  24.243  4.9670 28.937  4.8815 -4.693663      6.964248 
1 1 1 27 6  19 o 17.189  4.9443 2.6483   1.4038  2.8311   1.8432  2.3958   2.1662  17.669  5.7782 16.832  6.2141 0.8365974      8.485406 
1 1 1 27 6  20 o 36.772  2.8545 11.056   1.6326  9.4220   2.0956  13.578   2.6040  33.204  4.1141 39.833  4.2350 -6.629433      5.904298 
1 1 1 27 6  21 o 42.945  2.2632 14.846   1.5183  12.799   2.0677  17.242   2.2367  39.224  3.3961 45.748  3.1377 -6.524574      4.623696 
1 1 1 27 6  22 o 21.526  4.0501 4.0224   1.3165  2.5909   1.8180  5.6009   1.9091  16.940  5.7435 24.885  5.0659 -7.944267      7.658398 
1 1 1 27 6  23 o 39.758  2.3902 12.789   1.4828  13.202   2.0656  12.349   2.1300  39.819  3.3398 38.335  3.5859 1.484009       4.900362 
1 1 1 27 6  24 o 60.470  1.7776 29.131   1.6851  28.372   2.2669  30.069   2.5192  59.255  2.4404 60.846  2.6410 -1.590588      3.595892 
1 1 1 27 6  25 o 17.298  4.4867 2.6892   1.2270  2.7175   1.6491  2.6542   1.8365  17.146  5.4531 16.987  5.7726 0.1585693      7.940992 
1 1 1 27 6  26 o 21.465  3.9925 4.0212   1.2940  3.8051   1.7231  4.3007   1.9597  20.127  5.3640 21.177  5.7534 -1.049913      7.866018 
1 1 1 27 6  27 o 21.026  4.2495 3.9195   1.3525  4.4392   1.9055  3.3917   1.9201  21.581  5.5881 18.771  5.8732 2.809750       8.106903 
1 1 1 27 6  28 o 22.099  3.9158 4.2573   1.3069  5.1883   1.8466  3.3230   1.8499  23.663  5.1261 18.591  5.7565 5.072748       7.708025 
1 1 1 27 6  29 o 26.058  3.5763 5.8042   1.4224  4.6940   1.9557  7.0510   2.0725  22.090  5.6307 27.801  4.9361 -5.710802      7.488015 
1 1 1 27 6  30 f 35.783  2.4984 10.460   1.3927  10.183   2.0601  10.694   1.8900  34.341  3.8956 35.558  3.4332 -1.217579      5.192559 
1 1 1 27 6  31 o 6.6769  3.2889 -2.3457  1.2214  -2.0794  1.7462  -2.6009  1.7090  8.8542  4.2621 8.2874  4.0419 0.5667849      5.873855 
1 1 1 27 6  32 o 13.246  4.8734 1.4354   1.3306  3.4710   2.1095  0.0904   1.7147  18.640  6.1857 11.329  4.9845 7.311404       7.944099 
1 1 1 27 6  33 o 12.604  4.8786 1.1675   1.3728  -0.5466  2.0708  2.5113   1.8335  11.384  5.2011 16.338  5.7575 -4.954247      7.758938 
1 1 1 27 6  34 o 10.777  4.6746 0.2005   1.4625  2.1269   2.0978  -1.6210  2.0399  15.609  6.0338 10.140  4.8042 5.468607       7.712830 
1 1 1 27 6  35 o 21.474  4.2523 4.1491   1.3809  3.2553   2.1038  4.8257   1.8304  18.014  6.1780 22.452  5.2877 -4.438299      8.131818 
1 1 1 27 6  36 o 22.015  4.1352 4.3352   1.3747  3.2538   2.1304  5.1068   1.7995  17.956  6.2136 23.246  5.0800 -5.289688      8.025860 
1 1 1 27 6  37 o 18.057  4.7813 3.0681   1.3748  0.8775   2.1071  4.6920   1.8142  13.305  5.6890 22.031  5.3142 -8.726270      7.784974 
1 1 1 27 6  38 o 23.375  4.0011 4.8623   1.4134  5.1057   2.1192  4.6672   1.8970  22.408  5.9376 21.725  5.5498 0.6827278      8.127437 
1 1 1 27 6  39 o 29.917  3.3801 7.6805   1.5575  7.3180   2.2086  8.0391   2.1966  27.571  5.3024 29.252  4.9678 -1.680826      7.265960 
1 1 1 27 6  40 o 30.634  3.4113 8.0863   1.6105  7.1476   2.3060  8.9801   2.2501  26.784  5.6687 31.048  4.7759 -4.264599      7.412383 
1 1 1 27 6  41 o 19.462  4.8649 3.6491   1.4803  3.6962   2.1196  3.6043   2.0681  18.580  6.2022 18.415  6.1254 0.1658211      8.717097 
1 1 1 27 6  42 o 22.479  4.7685 4.8260   1.6283  4.0327   2.0415  6.2133   2.6997  19.377  6.0549 23.170  6.9102 -3.793552      9.187651 
1 1 1 27 6  43 o 34.542  3.2009 10.264   1.7136  12.009   2.2201  7.6944   2.6950  36.584  3.9329 26.301  6.5587 10.28290       7.647506 
1 1 1 27 6  44 f 24.361  4.4032 5.5816   1.6197  5.3680   2.0385  5.9473   2.6673  22.508  5.7549 22.177  6.9196 0.3312683      9.000017 
1 1 1 27 6  45 o 27.678  3.8674 6.9700   1.6322  7.6557   2.0425  5.7584   2.7150  28.015  4.8249 21.358  7.0143 6.657024       8.513528 
1 1 1 27 7  0  o 10.684  6.5199 0.9789   2.0655  0.9789   2.0655  0.9789   2.0655  10.684  6.5199 10.684  6.5199 0.000000       0.000000 
1 1 1 27 7  1  o 49.265  1.9311 19.330   1.4914  17.914   2.0797  20.829   2.1400  46.921  2.8408 50.692  2.7027 -3.771713      3.921021 
1 1 1 27 7  2  o 9.1212  4.0770 -0.3369  1.1931  0.5995   1.6971  -1.2521  1.6777  12.467  5.2061 9.6492  4.5034 2.817959       6.883650 
1 1 1 27 7  3  o 21.633  3.8475 3.9970   1.2570  4.6928   1.7907  3.3211   1.7649  22.833  5.1280 19.042  5.5633 3.791489       7.566183 
1 1 1 27 7  4  o 17.267  4.3965 2.6248   1.1932  2.1196   1.7036  3.1114   1.6718  15.814  5.5516 18.490  5.4182 -2.676439      7.757424 
1 1 1 27 7  5  o 14.262  4.6584 1.7295   1.1981  2.4399   1.6866  1.0057   1.7023  16.627  5.5317 13.260  5.3370 3.367313       7.686594 
1 1 1 27 7  6  o 36.933  2.3308 10.989   1.3426  11.667   1.9201  10.340   1.8779  37.568  3.2936 35.269  3.4403 2.299286       4.762731 
1 1 1 27 7  7  o 12.321  4.6198 1.0801   1.2064  0.2405   1.6656  2.0068   1.7498  11.716  5.0351 15.556  5.6091 -3.840459      7.537508 
1 1 1 27 7  8  o 17.914  4.5729 2.8507   1.2886  3.8813   1.7541  1.6425   1.8992  20.573  5.3785 14.920  5.7485 5.652935       7.872285 
1 1 1 27 7  9  o 20.660  4.4833 3.7657   1.4104  5.2411   1.9542  2.1619   2.0375  23.979  5.3362 16.191  6.0167 7.787777       8.042147 
1 1 1 27 7  10 o 36.455  2.6573 10.808   1.5082  12.908   2.1210  8.6594   2.1450  39.372  3.4720 31.598  4.4537 7.773380       5.647163 
1 1 1 27 7  11 o 46.727  2.3737 17.608   1.7331  16.545   2.2292  19.232   2.7556  44.785  3.1960 47.905  3.6980 -3.119549      4.887708 
1 1 1 27 7  12 o 33.179  3.2573 9.1374   1.6724  8.4121   2.1242  10.320   2.7124  31.073  4.4910 33.858  5.2827 -2.784109      6.933640 
1 1 1 27 7  13 o 41.543  2.6335 14.033   1.7062  16.235   2.3499  11.578   2.4815  44.163  3.4208 36.550  4.4207 7.613667       5.589670 
1 1 1 27 7  14 o 14.754  4.9897 1.8754   1.3721  1.2923   1.8484  2.5909   2.0477  14.015  5.5889 17.033  6.0757 -3.017927      8.255280 
1 1 1 27 7  15 o 11.738  4.7335 0.7481   1.3419  -0.3454  1.8099  2.0828   1.9997  11.144  4.9983 15.846  5.9464 -4.702189      7.768061 
1 1 1 27 7  16 f 29.035  3.1849 7.0215   1.4259  8.3176   1.9325  5.4727   2.1125  31.087  4.0626 24.108  5.6825 6.979565       6.985397 
1 1 1 27 7  17 o 18.135  4.6641 2.9739   1.3335  0.9021   1.7865  5.5803   2.0038  13.073  5.3900 24.544  5.3580 -11.47104      7.600046 
1 1 1 27 7  18 o 43.632  2.2233 15.355   1.5157  15.527   2.0949  15.165   2.1958  43.306  3.1065 42.643  3.3106 0.6622353      4.539839 
1 1 1 27 7  19 o 41.595  2.3434 14.010   1.5218  13.501   2.3149  14.397   2.0196  39.858  3.7488 41.666  3.1145 -1.807125      4.873750 
1 1 1 27 7  20 o 35.950  2.7466 10.611   1.5362  11.979   2.2596  9.4362   2.0948  37.369  3.9152 32.963  4.1454 4.406120       5.702032 
1 1 1 27 7  21 o 26.908  3.6028 6.1777   1.4816  8.4657   2.1628  4.1547   2.0338  30.821  4.6186 20.618  5.9574 10.20331       7.537997 
1 1 1 27 7  22 o 21.422  4.5219 4.1377   1.4709  4.0923   2.1341  4.1787   2.0301  20.306  6.1639 20.642  5.9483 -0.3366566     8.565926 
1 1 1 27 7  23 o 31.464  3.0867 8.2650   1.5029  8.6314   2.1437  7.9109   2.1077  31.131  4.5250 29.659  4.6891 1.472137       6.516376 
1 1 1 27 7  24 f 18.892  4.7015 3.2822   1.3869  3.8892   1.9925  2.7117   1.9316  19.854  5.9400 16.936  5.9134 2.917997       8.381660 
1 1 1 27 7  25 o 10.015  4.4426 -0.1319  1.3890  -1.6418  1.9790  1.3342   1.9501  9.9872  4.7319 13.987  5.6831 -3.999946      7.395168 
1 1 1 27 7  26 o 41.142  2.5538 13.862   1.6390  16.714   2.4294  11.479   2.2204  44.360  3.5225 36.354  3.9602 8.005760       5.300118 
1 1 1 27 7  27 o 70.205  1.8830 39.519   2.0724  42.276   3.1181  37.339   2.7735  71.677  2.7750 67.536  2.6196 4.140739       3.816164 
1 1 1 27 7  28 o 26.540  3.7899 6.1258   1.5320  7.4087   2.2006  4.9192   2.1342  28.112  5.1844 22.128  6.0009 5.984825       7.930213 
1 1 1 27 7  29 o 12.329  4.9193 1.0177   1.4327  -1.8702  2.0228  3.9245   2.0294  9.8455  4.6984 19.704  6.0173 -9.858681      7.634305 
1 1 1 27 7  30 o 17.366  4.8702 2.8402   1.3795  4.0457   2.0299  1.8056   1.8805  19.980  5.9995 14.693  5.7035 5.286877       8.277952 
1 1 1 27 7  31 o 15.569  4.9498 2.2663   1.3588  2.2490   1.9716  2.2820   1.8752  15.677  5.9003 15.697  5.7840 -0.2052498E-01 8.262474 
1 1 1 27 7  32 o 12.158  4.8047 1.0309   1.3546  0.1479   2.0429  1.7238   1.8097  12.104  5.3774 14.392  5.5927 -2.287667      7.758577 
1 1 1 27 7  33 o 9.7130  4.3450 -0.1954  1.3580  -1.4842  1.9018  1.1452   1.9397  9.8020  4.6426 13.420  5.5815 -3.617777      7.259964 
1 1 1 27 7  34 o 10.891  4.6218 0.4478   1.3720  2.0455   1.8876  -1.3418  1.9977  15.073  5.7496 10.195  4.8073 4.878340       7.494488 
1 1 1 27 7  35 f 12.648  4.9085 1.2390   1.3925  -0.7007  1.8382  3.8516   2.1333  10.424  4.8127 19.110  6.2147 -8.685587      7.860343 
1 1 1 27 7  36 o 11.229  4.6698 0.6580   1.3575  1.1700   1.9217  0.1481   1.9178  13.306  5.5467 11.689  5.2007 1.617452       7.603555 
1 1 1 27 7  37 o 16.085  4.9877 2.5111   1.3883  5.0630   1.9819  0.0528   1.9452  22.304  5.6591 11.574  5.1871 10.73079       7.676691 
1 1 1 27 7  38 f 37.078  2.6882 11.479   1.5519  16.476   2.2745  7.1259   2.1228  43.745  3.3420 27.019  5.2006 16.72625       6.181804 
1 1 1 27 7  39 o 18.799  4.7987 3.4402   1.4190  1.3947   1.9660  5.6645   2.0501  13.554  5.6267 23.459  5.6435 -9.905157      7.969260 
1 1 1 27 7  40 o 16.628  4.9837 2.7630   1.4017  5.5839   2.0251  0.1686   1.9421  23.174  5.6300 11.539  5.1764 11.63537       7.648013 
1 1 1 27 7  41 o 12.024  4.8687 1.0820   1.4259  0.4131   1.9981  1.7760   2.0353  11.898  5.3002 14.090  5.7746 -2.192009      7.838274 
1 1 1 27 7  42 o 15.336  5.0532 2.4035   1.4087  3.0865   1.9924  1.7206   1.9921  16.595  5.9849 13.827  5.6951 2.767515       8.261573 
1 1 1 27 8  0  o 9.6529  6.3273 -0.0257  2.3895  -0.0257  2.3895  -0.0257  2.3895  9.6529  6.3273 9.6529  6.3273 0.000000       0.000000 
1 1 1 27 8  1  o 12.921  5.4186 0.7534   1.8502  0.5190   2.8377  0.9266   2.4402  14.540  6.4045 14.372  6.1331 0.1679058      8.867494 
1 1 1 27 8  2  o 15.998  5.7485 2.2538   1.8363  1.2283   2.7644  3.0638   2.4566  15.327  6.5340 18.074  6.6261 -2.746625      9.305877 
1 1 1 27 8  3  o 14.377  5.2822 1.6955   1.5624  1.2206   2.4356  2.0276   2.0366  14.793  6.2111 15.673  5.9736 -0.8791819     8.617561 
1 1 1 27 8  4  o 23.636  4.1100 4.8786   1.4676  9.5830   2.5344  2.5054   1.8001  32.478  5.1497 16.582  5.7131 15.89590       7.691492 
1 1 1 27 8  5  o 19.798  4.8321 3.5800   1.4866  3.0798   2.4296  3.8793   1.8795  18.071  6.5949 20.154  5.6961 -2.083136      8.714263 
1 1 1 27 8  6  o 23.732  4.2860 4.9642   1.5359  6.6377   2.5646  4.0283   1.9178  25.942  6.3561 20.500  5.7399 5.442026       8.564252 
1 1 1 27 8  7  o 34.178  3.0611 9.6941   1.6228  9.7077   2.5593  9.6851   2.0985  32.630  5.1761 33.463  4.0852 -0.8332024     6.593950 
1 1 1 27 8  8  o 10.805  4.6214 0.2676   1.3910  -0.6017  2.0826  0.9678   1.8690  11.492  5.2370 13.303  5.5014 -1.810487      7.595511 
1 1 1 27 8  9  o 28.376  3.3413 6.7811   1.4579  6.8674   2.2517  6.7187   1.9130  27.075  5.4927 27.432  4.6119 -0.3571377     7.172120 
1 1 1 27 8  10 o 43.147  2.3437 15.089   1.5793  15.393   2.4941  14.886   2.0406  42.487  3.7842 42.343  3.0955 0.1439362      4.889035 
1 1 1 27 8  11 o 37.113  2.5765 11.256   1.4897  13.052   2.3339  10.022   1.9352  39.017  3.8666 34.312  3.6539 4.705116       5.319933 
1 1 1 27 8  12 o 20.987  4.3819 3.9450   1.3951  4.7922   2.2589  3.4225   1.7739  21.891  6.2647 18.899  5.5935 2.991632       8.398457 
1 1 1 27 8  13 o 20.107  4.4552 3.6472   1.3674  3.1371   2.0944  4.0262   1.8052  17.993  6.1643 20.514  5.5005 -2.521484      8.261624 
1 1 1 27 8  14 o 11.789  4.7104 0.8526   1.3154  -0.0296  2.0188  1.5035   1.7340  11.989  5.3351 14.045  5.4699 -2.055145      7.640907 
1 1 1 27 8  15 o 15.801  4.7737 2.2865   1.2823  2.7320   1.9291  1.9338   1.7164  16.987  5.9108 14.977  5.5309 2.010457       8.094949 
1 1 1 27 8  16 o 9.5769  4.2507 -0.1599  1.2736  0.3750   1.9564  -0.5532  1.6777  12.391  5.3909 10.314  4.7003 2.076933       7.152253 
1 1 1 27 8  17 o 20.380  4.2824 3.7296   1.3247  4.5965   1.9489  2.9851   1.8061  21.730  5.6636 17.586  5.7182 4.143644       8.048297 
1 1 1 27 8  18 o 25.464  3.5488 5.5659   1.3781  7.0987   2.0245  4.2423   1.8813  27.882  4.8052 20.860  5.6246 7.022083       7.397724 
1 1 1 27 8  19 o 13.020  4.8946 1.3433   1.3560  1.1656   1.9296  1.5167   1.9061  13.593  5.6026 14.217  5.6736 -0.6243591     7.973610 
1 1 1 27 8  20 o 9.8955  4.3643 -0.0517  1.3219  -2.1190  1.8598  2.0591   1.8792  9.1498  4.4029 15.290  5.7593 -6.140047      7.249447 
1 1 1 27 8  21 o 22.739  4.0601 4.5881   1.3942  4.7229   1.9514  4.4476   1.9926  21.937  5.6423 21.130  5.8269 0.8070507      8.110997 
1 1 1 27 8  22 o 19.814  4.5447 3.6123   1.3816  4.6659   1.9396  2.5271   1.9685  21.774  5.6378 16.330  5.9398 5.443838       8.189371 
1 1 1 27 8  23 o 8.3380  3.9127 -1.0089  1.2956  -2.9366  1.8148  0.9948   1.8502  8.3287  4.0838 13.065  5.4441 -4.736508      6.805605 
1 1 1 27 8  24 o 35.006  2.7828 10.174   1.5146  9.9450   2.1398  10.404   2.1440  33.497  4.1649 34.366  4.0580 -0.8687859     5.814898 
1 1 1 27 8  25 o 18.238  4.7777 3.1312   1.3823  2.7113   1.9180  3.5851   1.9941  16.670  5.8871 18.771  5.9993 -2.101086      8.405349 
1 1 1 27 8  26 o 43.836  2.3490 15.694   1.6084  15.737   2.2808  15.652   2.2684  42.953  3.4153 42.847  3.4052 0.1064148      4.822866 
1 1 1 27 8  27 o 39.416  2.5407 12.790   1.5616  14.403   2.2471  11.284   2.1716  40.945  3.5354 35.853  3.9280 5.092205       5.284707 
1 1 1 27 8  28 o 14.996  4.9844 2.1024   1.3695  2.3041   1.9334  1.8993   1.9402  15.661  5.8529 14.810  5.7809 0.8508406      8.226534 
1 1 1 27 8  29 o 16.432  5.0283 2.5958   1.4163  2.2436   1.9724  2.9707   2.0350  15.511  5.8866 17.124  6.0623 -1.613198      8.450015 
1 1 1 27 8  30 o 44.304  2.3538 16.076   1.6289  17.774   2.3398  14.480   2.2691  45.676  3.2897 40.917  3.5733 4.758434       4.857018 
1 1 1 27 8  31 o 21.161  4.4845 4.1635   1.4414  3.9409   2.0728  4.3719   2.0059  19.303  6.1110 20.510  5.9135 -1.206415      8.503718 
1 1 1 27 8  32 o 15.723  5.2306 2.4107   1.5080  -0.3117  2.3805  4.2354   1.9489  12.069  5.5372 20.188  5.8312 -8.118556      8.041409 
1 1 1 27 8  33 o 23.073  4.3780 4.9297   1.5256  5.8521   2.3048  4.2103   2.0354  23.394  6.1889 19.878  6.0163 3.516630       8.631244 
1 1 1 27 8  34 o 15.695  5.4430 2.4593   1.6352  2.9538   2.2186  1.8713   2.4193  16.701  6.2643 14.845  6.2089 1.856140       8.819954 
1 1 1 27 8  35 o 32.845  3.1530 9.2675   1.6035  10.133   2.3510  8.5148   2.1926  32.701  4.7229 29.802  4.8608 2.898485       6.777414 
1 1 1 27 8  36 o 11.272  4.7750 0.6593   1.4604  0.6388   2.2166  0.6750   1.9413  12.650  5.6117 12.238  5.3461 0.4121885      7.750615 
1 1 1 27 8  37 o 18.059  5.0925 3.3264   1.5040  4.9594   2.2786  2.0656   2.0021  20.699  6.3853 14.591  5.8173 6.107186       8.637865 
1 1 1 27 8  38 o 33.997  3.0486 9.9766   1.6075  9.9941   2.4064  9.9626   2.1602  31.766  4.9973 32.521  4.3460 -0.7554951     6.622729 
1 1 1 27 8  39 o 11.003  4.6947 0.6512   1.4293  0.5478   2.1543  0.7326   1.9103  12.141  5.4490 12.011  5.2735 0.1307163      7.582985 
1 1 1 27 9  0  o 44.480  3.2379 16.127   2.2303  16.127   2.2303  16.127   2.2303  44.480  3.2379 44.480  3.2379 0.000000       0.000000 
1 1 1 27 9  1  o 34.454  2.9401 9.8835   1.5728  7.1501   2.0743  13.581   2.4124  27.849  4.9317 39.543  3.9443 -11.69394      6.314973 
1 1 1 27 9  2  o 8.8911  4.1243 -0.8296  1.3735  -0.0819  1.8372  -1.7773  2.0682  11.375  5.0736 10.084  4.7951 1.290975       6.980952 
1 1 1 27 9  3  o 21.627  4.2114 4.1861   1.3765  2.7618   1.8909  5.7918   2.0077  16.940  5.8544 24.669  5.3458 -7.729553      7.927905 
1 1 1 27 9  4  o 16.216  5.1281 2.4675   1.4599  3.1089   1.9049  1.5545   2.2728  17.791  5.8768 14.768  6.0831 3.022288       8.458157 
1 1 1 27 9  5  o 9.9573  4.4678 -0.2657  1.4475  -1.5584  1.8474  1.7899   2.3295  9.6362  4.5674 15.227  6.2019 -5.591045      7.702303 
1 1 1 27 9  6  o 17.862  5.0311 3.0189   1.4689  2.3431   1.8992  4.0251   2.3173  15.935  5.8285 19.703  6.4806 -3.768045      8.716011 
1 1 1 27 9  7  o 15.260  5.2199 2.1399   1.5018  1.7749   1.9738  2.6418   2.3143  14.775  5.8120 16.746  6.3714 -1.970681      8.624079 
1 1 1 27 9  8  o 8.6058  4.0964 -1.4932  1.5172  1.5636   2.0256  -5.3992  2.2898  14.423  5.8160 8.2942  4.1532 6.128788       7.146690 
1 1 1 27 9  9  o 12.890  5.2790 1.0373   1.6994  -0.6604  2.4820  2.5357   2.3317  12.183  5.6133 16.520  6.3683 -4.337062      8.489056 
1 1 1 27 9  10 o 8.6147  4.1414 -1.8882  1.6359  0.3893   2.8405  -3.0187  2.0012  13.985  6.2680 8.8520  4.3294 5.133217       7.617850 
1 1 1 27 9  11 o 39.279  2.7765 12.780   1.6986  11.486   2.6545  13.678   2.2105  35.297  4.9318 39.960  3.5661 -4.663132      6.086051 
1 1 1 27 9  12 o 10.250  4.5508 -0.0863  1.4606  0.9785   2.4210  -0.6956  1.8314  14.013  6.0464 10.501  4.8322 3.511857       7.740092 
1 1 1 27 9  13 o 42.717  2.6656 15.056   1.7761  14.482   2.7973  15.443   2.2990  40.082  4.5314 42.534  3.4783 -2.452572      5.712459 
1 1 1 27 9  14 o 13.341  5.0841 1.4379   1.4751  -2.4811  2.2980  4.1845   1.9238  10.056  4.8527 20.434  5.7584 -10.37878      7.530502 
1 1 1 27 9  15 f 23.381  4.3796 4.9635   1.5463  2.5322   2.4871  6.4955   1.9743  16.479  6.5108 26.341  4.9630 -9.862831      8.186694 
1 1 1 27 9  16 o 30.160  3.1241 7.6881   1.4557  8.3361   2.1128  7.1024   2.0086  30.219  4.6054 27.696  4.8001 2.523325       6.652133 
1 1 1 27 9  17 o 16.127  4.9668 2.4688   1.3793  3.9176   1.9928  1.1364   1.9111  19.563  5.9602 13.352  5.5456 6.211358       8.141130 
1 1 1 27 9  18 o 26.253  3.6127 5.9894   1.4474  6.2569   2.1073  5.7505   1.9916  25.339  5.4654 24.352  5.3620 0.9873028      7.656480 
1 1 1 27 9  19 o 17.969  5.0427 3.1108   1.4785  2.7416   1.9312  3.6335   2.2979  16.656  5.9047 18.548  6.4513 -1.891094      8.745587 
1 1 1 27 9  20 o 35.736  2.7469 10.621   1.5271  11.553   2.1810  9.7248   2.1388  36.264  3.8975 32.932  4.2414 3.331581       5.760237 
1 1 1 27 9  21 o 22.013  4.3343 4.4291   1.4425  4.4091   2.0623  4.4482   2.0184  20.621  6.0108 20.802  5.9112 -0.1803646     8.430375 
1 1 1 27 9  22 o 20.311  4.6849 3.8801   1.4613  2.5534   2.0667  5.2064   2.0664  16.180  6.0504 22.647  5.7961 -6.467472      8.378672 
1 1 1 27 9  23 o 26.262  3.6306 6.0282   1.4547  6.8434   2.0564  5.2116   2.0582  26.772  5.0857 22.640  5.7794 4.131817       7.698445 
1 1 1 27 9  24 o 25.039  4.0803 5.6381   1.5465  8.3145   2.1463  2.7487   2.2301  29.868  4.7424 16.540  6.2636 13.32820       7.856398 
1 1 1 27 9  25 o 11.679  4.7418 0.8765   1.3565  -1.1361  1.8852  3.0372   1.9533  10.018  4.7071 17.173  5.9494 -7.155011      7.586291 
1 1 1 27 9  26 o 12.294  4.8830 1.1155   1.4058  -1.0967  1.9225  3.6576   2.0609  10.142  4.7616 18.530  6.1125 -8.387156      7.748234 
1 1 1 27 9  27 o 38.240  2.6448 12.175   1.5757  11.346   2.1516  13.133   2.3142  35.718  3.9062 38.462  3.8915 -2.744125      5.513856 
1 1 1 27 9  28 o 11.298  4.7246 0.6870   1.4006  -0.3436  1.9581  1.7669   2.0043  11.028  5.0456 14.327  5.7825 -3.299790      7.674369 
1 1 1 27 9  29 o 39.271  2.5599 12.827   1.5674  14.460   2.2171  11.196   2.2161  40.707  3.5086 35.161  4.0973 5.546467       5.394256 
1 1 1 27 9  30 o 25.924  3.7667 6.0154   1.4860  6.1500   2.0760  5.8741   2.1279  24.533  5.5303 23.669  5.7839 0.8636074      8.002328 
1 1 1 27 9  31 o 16.668  5.1771 2.8284   1.4950  2.3051   2.2021  3.2757   2.0361  15.224  6.0904 17.256  6.0686 -2.032225      8.597755 
1 1 1 27 9  32 o 22.712  4.4224 4.8971   1.5180  5.7316   2.2031  4.1427   2.0945  22.826  6.0566 19.128  6.1522 3.698277       8.633198 
1 1 1 27 9  33 o 11.856  4.8052 1.0576   1.3903  0.3602   1.9321  1.8064   2.0022  11.633  5.1949 14.024  5.7351 -2.390624      7.738046 
1 1 1 27 9  34 o 12.533  5.0230 1.3267   1.5008  2.8829   2.1167  -0.2468  2.1284  15.995  6.0915 11.197  5.1726 4.798949       7.991380 
1 1 1 27 9  35 o 15.746  5.2233 2.6357   1.5042  3.9797   2.1673  1.3867   2.0893  18.148  6.2679 13.182  5.6514 4.966039       8.439546 
1 1 1 27 10 0  o 28.088  5.3659 7.2034   2.1127  7.2034   2.1127  7.2034   2.1127  28.088  5.3659 28.088  5.3659 0.000000       0.000000 
1 1 1 27 10 1  o 39.804  2.6952 13.145   1.6719  12.983   2.2288  13.353   2.5281  38.610  3.7288 38.604  4.2477 0.5260468E-02  5.652132 
1 1 1 27 10 2  o 27.673  3.5092 6.6294   1.4881  9.6331   2.0541  3.3110   2.1589  32.917  4.0671 17.846  6.2506 15.07100       7.457246 
1 1 1 27 10 3  o 12.544  4.9009 1.1920   1.3954  0.4283   1.9318  2.0252   2.0177  12.173  5.3250 15.086  5.8934 -2.912086      7.942783 
1 1 1 27 10 4  o 9.7397  4.3694 -0.2096  1.3838  -2.6519  1.9239  2.4085   1.9919  8.8202  4.2988 15.861  5.9382 -7.041114      7.330927 
1 1 1 27 10 5  o 24.871  3.8398 5.4681   1.4489  4.7909   2.0211  6.1842   2.0783  21.675  5.8236 25.134  5.4329 -3.459053      7.964390 
1 1 1 27 10 6  o 15.394  5.0615 2.2530   1.4136  1.5952   1.9549  2.9738   2.0464  14.176  5.7146 17.106  6.0767 -2.929817      8.341678 
1 1 1 27 10 7  o 13.876  5.0078 1.7192   1.3952  3.5725   2.0170  0.0186   1.9321  18.536  6.0436 11.575  5.1800 6.961055       7.959768 
1 1 1 27 10 8  o 22.992  4.2634 4.8101   1.4801  5.3352   2.1232  4.3136   2.0644  22.827  5.8928 20.327  6.0382 2.500786       8.437116 
1 1 1 27 10 9  o 21.073  4.7978 4.2075   1.5495  3.0796   2.2309  5.2585   2.1536  17.269  6.3170 22.548  5.9909 -5.278130      8.706038 
1 1 1 27 10 10 o 33.356  2.9241 9.3511   1.5136  7.9177   2.1197  10.842   2.1621  29.098  4.8153 34.936  4.0210 -5.838251      6.273409 
1 1 1 27 10 11 o 27.666  3.5228 6.6479   1.4932  4.5671   2.0696  8.9071   2.1565  20.924  5.9991 31.130  4.5535 -10.20659      7.531455 
1 1 1 27 10 12 o 13.344  5.0174 1.5180   1.4250  0.9101   1.9963  2.1495   2.0348  12.992  5.5459 15.274  5.9319 -2.281949      8.120619 
1 1 1 27 10 13 f 15.172  5.1284 2.1957   1.4494  1.5713   2.0240  2.8529   2.0765  14.149  5.7740 16.748  6.0993 -2.598600      8.398777 
1 1 1 27 10 14 o 14.571  5.0741 1.9862   1.4217  1.9829   2.0098  1.9895   2.0114  14.899  5.8636 14.913  5.8670 -0.1416874E-01 8.294742 
1 1 1 27 10 15 o 7.9543  3.8347 -1.7211  1.4262  -1.8445  1.9385  -1.5754  2.1058  9.4831  4.5454 10.182  4.8406 -0.6987190     6.640224 
1 1 1 27 10 16 o 17.028  5.1729 2.8602   1.5027  2.8988   2.0335  2.8137   2.2303  16.792  6.0477 16.593  6.2686 0.1992645      8.710340 
1 1 1 27 10 17 o 31.339  3.2245 8.4136   1.5616  8.2317   2.1153  8.6315   2.3150  29.666  4.7054 29.971  5.1104 -0.3049335     6.946700 
1 1 1 27 10 18 o 12.764  5.0178 1.2841   1.4702  1.9367   1.9320  0.3863   2.2662  14.661  5.7557 12.632  5.6344 2.029988       8.054449 
1 1 1 27 10 19 o 10.181  4.6543 -0.4222  1.6617  -0.2822  2.0086  -0.7257  2.9576  11.245  5.1317 12.665  5.9331 -1.419922      7.844467 
1 1 1 27 10 20 o 10.413  4.6331 0.0207   1.5219  -1.6037  1.9557  2.5152   2.4234  9.6911  4.6234 15.935  6.3841 -6.244138      7.882431 
1 1 1 27 10 21 o 14.818  5.3556 2.1210   1.5966  3.2141   2.1653  0.8187   2.3635  17.252  6.2366 13.261  5.8427 3.991251       8.545932 
1 1 1 27 10 22 o 24.860  4.1063 5.6448   1.5445  4.6530   2.1373  6.7287   2.2344  20.619  6.1481 25.557  5.7198 -4.937046      8.397387 
1 1 1 27 10 23 o 20.788  4.9903 4.2662   1.6057  4.3541   2.2224  4.1703   2.3224  19.651  6.3391 19.074  6.4914 0.5776615      9.073185 
1 1 1 27 10 24 o 18.044  5.3221 3.3512   1.6084  3.6303   2.2241  3.0452   2.3286  17.916  6.3383 16.650  6.3776 1.266413       8.991525 
1 1 1 27 10 25 o 22.775  4.6257 4.9846   1.5951  4.8951   2.2415  5.0765   2.2705  20.731  6.3223 21.103  6.3471 -0.3714428     8.958611 
1 1 1 27 10 26 o 10.455  4.6955 0.0064   1.6029  2.6142   2.4594  -1.9191  2.1133  15.704  6.3817 9.6876  4.6697 6.016516       7.907676 
1 1 1 27 10 27 o 21.075  5.0750 4.5038   1.6567  2.6978   2.4736  5.9729   2.2309  15.746  6.3994 23.199  6.0658 -7.453635      8.817375 
1 1 1 27 10 28 o 26.871  4.8084 7.0977   1.9512  6.3327   3.1126  7.5928   2.5044  21.331  7.5033 25.990  6.2282 -4.658379      9.751376 
1 1 1 27 10 29 o 35.120  3.7070 11.168   2.0101  9.6284   2.9153  12.564   2.7753  28.663  6.6212 35.178  5.1883 -6.515377      8.411825 
1 1 1 27 10 30 o 16.936  5.6851 3.2353   1.7810  4.8749   2.6033  1.7925   2.4420  19.191  6.8499 14.020  6.0610 5.171000       9.146387 
1 1 1 27 10 31 o 35.359  3.8897 11.600   2.1205  13.924   3.2746  9.9217   2.7827  35.047  6.1863 29.383  6.2341 5.663605       8.782612 
1 1 1 27 11 0  f 11.426  6.6160 1.6042   1.9293  1.6042   1.9293  1.6042   1.9293  11.426  6.6160 11.426  6.6160 0.000000       0.000000 
1 1 1 27 11 1  o 10.470  4.5823 0.2058   1.4321  1.7524   1.9437  -1.6311  2.1183  14.241  5.7130 10.093  4.8141 4.147887       7.470890 
1 1 1 27 11 2  o 12.578  4.9805 1.2303   1.4583  2.4312   2.0513  0.0030   2.0737  15.650  5.9879 11.713  5.2933 3.937319       7.992114 
1 1 1 27 11 3  o 12.622  5.0258 1.2285   1.4927  1.0006   2.0070  1.5107   2.2329  12.999  5.5550 14.113  5.9374 -1.114058      8.130899 
1 1 1 27 11 4  o 14.640  5.0180 2.0552   1.3879  3.6518   1.9742  0.4952   1.9515  18.472  5.9762 12.123  5.3262 6.349006       8.005198 
1 1 1 27 11 5  o 25.217  4.2223 5.8322   1.6102  9.8532   2.6452  3.4653   2.0295  31.340  5.5889 17.943  6.0684 13.39754       8.249928 
1 1 1 27 11 6  o 23.110  4.1687 4.8995   1.4547  5.9025   2.0658  3.9130   2.0488  24.070  5.5829 18.996  6.0821 5.074503       8.255965 
1 1 1 27 11 7  o 9.5578  4.3292 -0.2809  1.3963  -0.9282  1.9796  0.3600   1.9699  10.396  4.8650 11.946  5.2951 -1.549947      7.190757 
1 1 1 27 11 8  o 9.9330  4.4784 -0.1865  1.4743  0.9484   2.2097  -1.0970  1.9793  13.189  5.7336 10.214  4.8067 2.974975       7.481859 
1 1 1 27 11 9  o 7.5243  3.6616 -1.9484  1.3808  -2.2586  1.9753  -1.6519  1.9311  9.1537  4.4371 9.5456  4.5651 -0.3918800     6.366188 
1 1 1 27 11 10 o 11.997  4.8561 1.0224   1.4181  2.1308   2.0104  -0.0750  2.0005  14.941  5.8695 11.401  5.1712 3.540360       7.822518 
1 1 1 27 11 11 o 25.742  3.6834 5.8955   1.4440  7.0296   2.0637  4.8075   2.0213  26.788  5.1005 21.237  5.8738 5.550535       7.779251 
1 1 1 27 11 12 o 25.781  3.7708 5.9513   1.4789  5.0654   2.0419  6.9289   2.1449  21.828  5.8489 26.252  5.3923 -4.424330      7.955291 
1 1 1 27 11 13 f 29.921  3.2121 7.7402   1.4831  9.6974   2.0875  5.7451   2.1076  32.518  4.1925 23.365  5.7848 9.153048       7.144279 
1 1 1 27 11 14 o 19.116  5.0380 3.6601   1.5310  3.6033   2.1253  3.7213   2.2075  17.953  6.2065 18.129  6.3220 -0.1758099     8.859415 
1 1 1 27 11 15 o 17.240  5.0683 3.0053   1.4608  4.3026   2.0622  1.6988   2.0695  19.692  6.0745 14.051  5.7981 5.640773       8.397428 
1 1 1 27 11 16 o 36.730  2.7277 11.374   1.5594  9.1204   2.1764  13.752   2.2354  30.955  4.6268 39.328  3.6682 -8.372740      5.904440 
1 1 1 27 11 17 o 26.032  3.9258 6.1778   1.5523  3.8646   1.9599  10.071   2.5427  18.678  5.9453 31.652  5.3127 -12.97322      7.973176 
1 1 1 27 11 18 o 20.396  4.7138 4.0816   1.4770  3.8382   1.9736  4.3915   2.2269  18.528  5.9733 19.405  6.3515 -0.8766994     8.719073 
1 1 1 27 11 19 o 15.391  5.2056 2.4369   1.4934  3.3996   1.9594  1.1026   2.3067  17.405  5.9624 13.226  5.8012 4.179704       8.318936 
1 1 1 27 11 20 o 13.063  5.0294 1.5614   1.4530  3.0208   1.9751  -0.1599  2.1450  16.441  5.9544 11.362  5.2288 5.078940       7.924319 
1 1 1 27 11 21 o 8.2623  4.0308 -2.2002  1.7030  -1.7346  2.0911  -3.1173  2.9347  9.6892  4.6640 10.526  5.1676 -0.8366604     6.961098 
1 1 1 27 11 22 o 11.762  5.0903 0.7748   1.7260  -0.2881  2.1212  2.8575   2.9691  11.087  5.1368 15.739  6.7421 -4.651569      8.475993 
1 1 1 27 11 23 o 14.345  5.4439 2.1394   1.6868  0.1429   2.0972  5.7975   2.8387  11.481  5.2409 20.535  7.1688 -9.054166      8.880262 
1 1 1 27 11 24 o 19.414  5.7001 4.2584   1.8487  2.5061   2.3817  6.9145   2.9323  14.981  6.2040 22.328  7.2874 -7.347247      9.570546 
1 1 1 27 11 25 o 32.886  4.0181 10.169   2.0284  11.918   2.6450  7.6727   3.1606  33.984  5.1240 22.847  7.5711 11.13623       9.142052 
1 1 1 27 12 0  o 10.165  6.2867 1.0149   1.9801  1.0149   1.9801  1.0149   1.9801  10.165  6.2867 10.165  6.2867 0.000000       0.000000 
1 1 1 27 12 1  o 8.8220  4.1055 -0.6648  1.3784  -3.1744  1.9918  1.6414   1.9094  8.4156  4.1557 13.612  5.5875 -5.195971      6.963427 
1 1 1 27 12 2  o 13.773  5.1856 1.8365   1.5232  1.6934   2.0591  2.0094   2.2638  13.822  5.7500 14.485  6.0277 -0.6629362     8.330363 
1 1 1 27 12 3  o 8.0475  3.8487 -1.2967  1.3725  -1.2982  1.9693  -1.2954  1.9140  9.7997  4.6653 9.6623  4.5997 0.1374025      6.551507 
1 1 1 27 12 4  o 10.842  4.6654 0.5334   1.4334  -0.3244  1.9339  1.5792   2.1354  10.727  4.9470 13.682  5.7838 -2.954330      7.610803 
1 1 1 27 12 5  o 19.020  4.8165 3.6336   1.4377  2.6482   2.0223  4.6406   2.0442  15.582  5.9494 20.241  6.0077 -4.658713      8.455003 
1 1 1 27 12 6  o 19.646  4.9970 3.9389   1.5426  4.4752   2.3230  3.5159   2.0632  19.189  6.4925 17.431  6.1101 1.758461       8.915455 
1 1 1 27 12 7  f 15.081  5.1292 2.3468   1.4499  4.4267   2.0923  0.4252   2.0111  19.533  6.1342 11.787  5.2792 7.745836       8.093065 
1 1 1 27 12 8  o 12.089  4.8755 1.1753   1.4237  -1.3861  1.9446  4.1342   2.0900  9.6207  4.5955 18.792  6.1533 -9.171362      7.679955 
1 1 1 27 12 9  o 11.402  4.7969 0.8278   1.4573  3.8627   2.1158  -1.9116  2.0101  18.066  6.1957 9.3255  4.5096 8.740914       7.663089 
1 1 1 27 12 10 o 16.258  5.2338 2.8076   1.5156  2.2775   2.0175  3.4943   2.2962  14.724  5.8492 17.002  6.3737 -2.278107      8.650816 
1 1 1 27 12 11 o 14.762  5.2598 2.2805   1.5342  2.0027   2.0500  2.6342   2.3132  14.189  5.8030 15.345  6.2056 -1.156307      8.496080 
1 1 1 27 12 12 o 17.416  5.5008 3.3434   1.6803  3.7521   2.0460  2.4968   2.9450  17.792  6.0927 15.171  6.6070 2.621725       8.987425 
1 1 1 27 12 13 o 8.3495  4.1024 -2.6133  1.8611  -2.4079  2.3540  -2.9558  3.0394  9.7007  4.7339 10.679  5.2458 -0.9777946     7.066044 
1 1 1 27 12 14 o 16.851  5.6651 3.2256   1.7686  1.4949   2.1733  6.6190   3.0431  13.317  5.7376 21.406  7.4252 -8.089092      9.383736 
1 1 1 27 12 15 o 10.212  4.7744 -0.5510  1.8987  -1.2660  2.2767  1.0823   3.4410  10.341  4.9484 13.821  6.4502 -3.480421      8.129728 
1 1 1 27 12 16 o 9.5676  4.5758 -1.2713  1.9404  0.7171   2.3507  -5.5238  3.4377  12.383  5.6121 10.057  5.0437 2.325243       7.545533 
1 1 1 27 12 17 o 11.806  5.2714 0.6829   1.9888  2.4030   2.3833  -3.2617  3.6090  14.609  6.1395 11.211  5.5469 3.398013       8.274163 
1 1 1 27 12 18 o 14.720  5.7851 2.4849   1.9538  0.8683   2.3181  6.4499   3.6304  12.407  5.6027 19.201  7.7708 -6.793507      9.579959 
1 1 1 27 13 0  o 13.034  8.4137 2.2085   4.0035  2.2085   4.0035  2.2085   4.0035  13.034  8.4137 13.034  8.4137 0.000000       0.000000 
1 1 1 27 13 1  o 12.744  5.6985 1.2384   2.3335  2.4554   3.3665  0.1129   3.2373  14.525  6.6345 12.523  5.9672 2.002282       8.923257 
1 1 1 27 13 2  o 15.907  6.0287 3.1911   2.0670  2.3900   2.4505  5.1673   3.8486  14.334  6.1322 17.028  7.4805 -2.694006      9.672732 
1 1 1 27 13 3  o 12.825  5.7608 1.2645   2.4137  0.2239   3.0523  3.0013   3.9434  12.413  5.8800 15.007  6.9705 -2.593608      9.119368 
1 1 1 27 13 4  o 12.773  5.6802 1.3178   2.2848  1.4815   2.9352  1.0661   3.6396  13.401  6.1484 13.462  6.3894 -0.6071663E-01 8.867208 
1 1 1 27 13 5  o 12.783  5.7045 1.3134   2.3258  2.5722   2.9659  -0.6970  3.7480  14.529  6.4658 12.416  6.0401 2.112617       8.848170 
1 1 1 28 0  0  f 73.416  3.2332 42.641   3.7048  42.641   3.7048  42.641   3.7048  73.416  3.2332 73.416  3.2332 0.000000       0.000000 
1 1 1 28 0  1  o 101.955 2.2954 81.891   3.6646  81.891   3.6646  81.891   3.6646  101.955 2.2954 101.955 2.2954 0.000000       0.000000 
1 1 1 28 0  2  o 13.729  6.6561 2.2328   1.6742  2.2328   1.6742  2.2328   1.6742  13.729  6.6561 13.729  6.6561 0.000000       0.000000 
1 1 1 28 0  3  o 68.754  2.4784 37.351   2.6634  37.351   2.6634  37.351   2.6634  68.754  2.4784 68.754  2.4784 0.000000       0.000000 
1 1 1 28 0  4  o 57.627  2.6579 26.320   2.3895  26.320   2.3895  26.320   2.3895  57.627  2.6579 57.627  2.6579 0.000000       0.000000 
1 1 1 28 0  5  o 17.899  6.9407 3.5066   1.8527  3.5066   1.8527  3.5066   1.8527  17.899  6.9407 17.899  6.9407 0.000000       0.000000 
1 1 1 28 0  6  o 11.195  6.3789 1.3287   1.7511  1.3287   1.7511  1.3287   1.7511  11.195  6.3789 11.195  6.3789 0.000000       0.000000 
1 1 1 28 0  7  o 38.387  3.4941 11.929   2.0626  11.929   2.0626  11.929   2.0626  38.387  3.4941 38.387  3.4941 0.000000       0.000000 
1 1 1 28 0  8  o 56.777  3.0201 25.642   2.6707  25.642   2.6707  25.642   2.6707  56.777  3.0201 56.777  3.0201 0.000000       0.000000 
1 1 1 28 0  9  o 10.188  6.2372 0.7453   1.9042  0.7453   1.9042  0.7453   1.9042  10.188  6.2372 10.188  6.2372 0.000000       0.000000 
1 1 1 28 0  10 o 40.848  3.4158 13.457   2.1522  13.457   2.1522  13.457   2.1522  40.848  3.4158 40.848  3.4158 0.000000       0.000000 
1 1 1 28 0  11 o 32.331  3.9802 8.6465   1.9354  8.6465   1.9354  8.6465   1.9354  32.331  3.9802 32.331  3.9802 0.000000       0.000000 
1 1 1 28 0  12 o 18.261  6.8715 3.6070   1.8398  3.6070   1.8398  3.6070   1.8398  18.261  6.8715 18.261  6.8715 0.000000       0.000000 
1 1 1 28 0  13 o 39.288  3.5423 12.502   2.1410  12.502   2.1410  12.502   2.1410  39.288  3.5423 39.288  3.5423 0.000000       0.000000 
1 1 1 28 0  14 o 55.676  2.5294 24.566   2.1973  24.566   2.1973  24.566   2.1973  55.676  2.5294 55.676  2.5294 0.000000       0.000000 
1 1 1 28 0  15 o 44.996  2.9029 16.170   2.0281  16.170   2.0281  16.170   2.0281  44.996  2.9029 44.996  2.9029 0.000000       0.000000 
1 1 1 28 0  16 o 15.117  6.6551 2.6442   1.6530  2.6442   1.6530  2.6442   1.6530  15.117  6.6551 15.117  6.6551 0.000000       0.000000 
1 1 1 28 0  17 o 91.577  2.1212 66.084   3.0416  66.084   3.0416  66.084   3.0416  91.577  2.1212 91.577  2.1212 0.000000       0.000000 
1 1 1 28 0  18 o 5.2851  3.8022 -2.6406  1.5441  -2.6406  1.5441  -2.6406  1.5441  5.2851  3.8022 5.2851  3.8022 0.000000       0.000000 
1 1 1 28 0  19 o 65.090  2.2883 33.481   2.3285  33.481   2.3285  33.481   2.3285  65.090  2.2883 65.090  2.2883 0.000000       0.000000 
1 1 1 28 0  20 o 49.806  2.6203 19.723   2.0330  19.723   2.0330  19.723   2.0330  49.806  2.6203 49.806  2.6203 0.000000       0.000000 
1 1 1 28 0  21 o 74.714  2.2204 44.068   2.5955  44.068   2.5955  44.068   2.5955  74.714  2.2204 74.714  2.2204 0.000000       0.000000 
1 1 1 28 0  22 o 37.301  3.2378 11.256   1.8605  11.256   1.8605  11.256   1.8605  37.301  3.2378 37.301  3.2378 0.000000       0.000000 
1 1 1 28 0  23 f 26.019  4.5721 5.8633   1.6928  5.8633   1.6928  5.8633   1.6928  26.019  4.5721 26.019  4.5721 0.000000       0.000000 
1 1 1 28 0  24 f 7.4909  5.0221 -0.5615  1.6508  -0.5615  1.6508  -0.5615  1.6508  7.4909  5.0221 7.4909  5.0221 0.000000       0.000000 
1 1 1 28 0  25 o 24.905  4.9017 5.4887   1.7025  5.4887   1.7025  5.4887   1.7025  24.905  4.9017 24.905  4.9017 0.000000       0.000000 
1 1 1 28 0  26 o 70.451  2.2947 39.254   2.5283  39.254   2.5283  39.254   2.5283  70.451  2.2947 70.451  2.2947 0.000000       0.000000 
1 1 1 28 0  27 o 6.5750  4.5420 -1.1724  1.5802  -1.1724  1.5802  -1.1724  1.5802  6.5750  4.5420 6.5750  4.5420 0.000000       0.000000 
1 1 1 28 0  28 o 12.893  6.4774 2.0135   1.6099  2.0135   1.6099  2.0135   1.6099  12.893  6.4774 12.893  6.4774 0.000000       0.000000 
1 1 1 28 0  29 o 16.688  6.8452 3.1795   1.7681  3.1795   1.7681  3.1795   1.7681  16.688  6.8452 16.688  6.8452 0.000000       0.000000 
1 1 1 28 0  30 f 17.609  6.4942 3.3686   1.6602  3.3686   1.6602  3.3686   1.6602  17.609  6.4942 17.609  6.4942 0.000000       0.000000 
1 1 1 28 0  31 o 39.339  3.1900 12.535   1.9376  12.535   1.9376  12.535   1.9376  39.339  3.1900 39.339  3.1900 0.000000       0.000000 
1 1 1 28 0  32 o 29.474  4.2177 7.3724   1.8331  7.3724   1.8331  7.3724   1.8331  29.474  4.2177 29.474  4.2177 0.000000       0.000000 
1 1 1 28 0  33 o 7.7541  5.1195 -0.2446  1.6082  -0.2446  1.6082  -0.2446  1.6082  7.7541  5.1195 7.7541  5.1195 0.000000       0.000000 
1 1 1 28 0  34 o 7.8707  5.2163 -0.3083  1.6954  -0.3083  1.6954  -0.3083  1.6954  7.8707  5.2163 7.8707  5.2163 0.000000       0.000000 
1 1 1 28 0  35 o 40.445  3.5680 13.390   2.2218  13.390   2.2218  13.390   2.2218  40.445  3.5680 40.445  3.5680 0.000000       0.000000 
1 1 1 28 0  36 o 62.833  2.4751 31.433   2.4294  31.433   2.4294  31.433   2.4294  62.833  2.4751 62.833  2.4751 0.000000       0.000000 
1 1 1 28 0  37 o 46.657  2.9376 17.544   2.1291  17.544   2.1291  17.544   2.1291  46.657  2.9376 46.657  2.9376 0.000000       0.000000 
1 1 1 28 0  38 o 8.3142  5.4402 -0.0547  1.7552  -0.0547  1.7552  -0.0547  1.7552  8.3142  5.4402 8.3142  5.4402 0.000000       0.000000 
1 1 1 28 0  39 o 8.6888  5.4710 0.4279   1.5712  0.4279   1.5712  0.4279   1.5712  8.6888  5.4710 8.6888  5.4710 0.000000       0.000000 
1 1 1 28 0  40 o 15.683  6.8048 2.9714   1.7291  2.9714   1.7291  2.9714   1.7291  15.683  6.8048 15.683  6.8048 0.000000       0.000000 
1 1 1 28 0  41 o 7.0911  4.8473 -0.8718  1.6941  -0.8718  1.6941  -0.8718  1.6941  7.0911  4.8473 7.0911  4.8473 0.000000       0.000000 
1 1 1 28 0  42 o 9.3190  5.8976 0.5072   1.8517  0.5072   1.8517  0.5072   1.8517  9.3190  5.8976 9.3190  5.8976 0.000000       0.000000 
1 1 1 28 0  43 o 37.101  3.8457 11.523   2.1817  11.523   2.1817  11.523   2.1817  37.101  3.8457 37.101  3.8457 0.000000       0.000000 
1 1 1 28 0  44 o 10.631  6.3929 1.1852   1.9259  1.1852   1.9259  1.1852   1.9259  10.631  6.3929 10.631  6.3929 0.000000       0.000000 
1 1 1 28 0  45 o 31.947  4.1138 8.7291   1.9664  8.7291   1.9664  8.7291   1.9664  31.947  4.1138 31.947  4.1138 0.000000       0.000000 
1 1 1 28 0  46 o 30.192  4.4517 7.9498   1.9726  7.9498   1.9726  7.9498   1.9726  30.192  4.4517 30.192  4.4517 0.000000       0.000000 
1 1 1 28 0  47 o 19.595  6.5443 4.1711   1.7922  4.1711   1.7922  4.1711   1.7922  19.595  6.5443 19.595  6.5443 0.000000       0.000000 
1 1 1 28 0  48 o 12.323  6.9822 1.9766   2.0825  1.9766   2.0825  1.9766   2.0825  12.323  6.9822 12.323  6.9822 0.000000       0.000000 
1 1 1 28 0  49 o 6.3087  4.4539 -1.8383  1.7720  -1.8383  1.7720  -1.8383  1.7720  6.3087  4.4539 6.3087  4.4539 0.000000       0.000000 
1 1 1 28 0  50 o 42.864  3.1619 15.117   2.0981  15.117   2.0981  15.117   2.0981  42.864  3.1619 42.864  3.1619 0.000000       0.000000 
1 1 1 28 0  51 o 22.115  6.3602 5.0969   1.9122  5.0969   1.9122  5.0969   1.9122  22.115  6.3602 22.115  6.3602 0.000000       0.000000 
1 1 1 28 0  52 o 23.045  6.0490 5.3775   1.8882  5.3775   1.8882  5.3775   1.8882  23.045  6.0490 23.045  6.0490 0.000000       0.000000 
1 1 1 28 0  53 o 9.5019  5.9454 0.8301   1.8237  0.8301   1.8237  0.8301   1.8237  9.5019  5.9454 9.5019  5.9454 0.000000       0.000000 
1 1 1 28 0  54 o 38.350  3.2965 12.337   1.9482  12.337   1.9482  12.337   1.9482  38.350  3.2965 38.350  3.2965 0.000000       0.000000 
1 1 1 28 1  0  o 50.570  2.7200 20.330   2.1421  20.330   2.1421  20.330   2.1421  50.570  2.7200 50.570  2.7200 0.000000       0.000000 
1 1 1 28 1  1  o 51.722  1.9736 21.128   1.6002  22.754   2.4156  19.856   2.1363  53.369  2.8981 49.894  2.7417 3.474487       3.989447 
1 1 1 28 1  2  o 33.277  2.5211 8.8357   1.3054  9.5515   1.8949  8.1890   1.8010  34.311  3.5753 31.707  3.6926 2.604391       5.139845 
1 1 1 28 1  3  o 55.044  1.8344 23.906   1.5829  22.301   2.2307  25.533   2.2466  52.898  2.6989 56.721  2.5266 -3.822296      3.697005 
1 1 1 28 1  4  o 35.225  2.5127 9.8944   1.3784  10.841   1.8573  8.7336   2.0567  36.672  3.2649 32.610  4.1147 4.061314       5.252607 
1 1 1 28 1  5  o 65.007  1.6701 33.307   1.7020  32.959   2.4301  33.643   2.3844  64.477  2.4042 65.164  2.3341 -0.6869507     3.350844 
1 1 1 28 1  6  o 57.216  1.7607 25.819   1.5792  24.482   2.1978  27.245   2.2708  55.536  2.5244 58.602  2.4718 -3.065643      3.533035 
1 1 1 28 1  7  o 15.964  4.4986 2.1382   1.1741  -0.6402  1.5833  5.5329   1.7501  10.367  4.6605 25.718  4.5051 -15.35078      6.482024 
1 1 1 28 1  8  o 57.828  1.7515 26.375   1.5878  28.293   2.2907  24.601   2.2030  59.719  2.4469 55.665  2.5245 4.053257       3.515680 
1 1 1 28 1  9  o 18.977  3.9984 3.0168   1.1520  1.0906   1.5994  5.0933   1.6607  13.639  5.2696 24.657  4.4604 -11.01778      6.903883 
1 1 1 28 1  10 o 9.2671  4.1159 -0.3631  1.1960  0.4169   1.7627  -1.0286  1.6282  12.707  5.3060 9.9886  4.5815 2.718781       7.010273 
1 1 1 28 1  11 o 7.9946  3.7646 -1.2605  1.2175  -1.8826  1.6920  -0.5926  1.7532  9.2281  4.3732 11.035  4.9366 -1.807106      6.595072 
1 1 1 28 1  12 o 51.553  1.9835 21.007   1.6031  20.580   2.2759  21.427   2.2584  50.719  2.8742 51.785  2.7922 -1.065845      4.007164 
1 1 1 28 1  13 o 31.058  2.8697 7.7570   1.3814  7.8904   1.9433  7.6208   1.9641  30.928  4.1099 30.337  4.2463 0.5909672      5.909525 
1 1 1 28 1  14 o 36.958  2.4978 10.901   1.4387  11.617   2.0266  10.173   2.0426  37.860  3.4526 35.305  3.7479 2.555046       5.095817 
1 1 1 28 1  15 o 28.848  3.2969 6.7615   1.4642  7.3608   2.0149  6.0911   2.1313  29.703  4.4653 26.655  5.2872 3.048769       6.920481 
1 1 1 28 1  16 o 42.225  2.8822 14.303   1.8965  13.213   2.9136  15.105   2.4981  39.797  4.7649 43.069  3.7370 -3.271603      6.055498 
1 1 1 28 1  17 o 68.529  2.0729 37.181   2.2269  36.922   2.8172  37.611   3.6358  68.080  2.6396 68.355  3.3930 -0.2747116     4.298807 
1 1 1 28 1  18 o 13.946  4.9025 1.4669   1.3287  1.4549   1.8152  1.4808   1.9502  14.867  5.6460 15.193  5.8324 -0.3257990     8.117513 
1 1 1 28 1  19 o 32.986  2.8104 8.7535   1.4395  8.5111   2.0035  9.0122   2.0696  32.079  4.0759 33.018  4.0855 -0.9394188     5.770988 
1 1 1 28 1  20 o 10.049  4.4268 -0.2636  1.3559  1.5574   2.0032  -1.8036  1.8421  15.422  5.9134 9.8132  4.6239 5.608988       7.506547 
1 1 1 28 1  21 o 22.341  4.2127 4.2091   1.4213  3.0089   1.8963  5.7476   2.1470  18.693  5.8347 25.672  5.5002 -6.979923      8.018499 
1 1 1 28 1  22 o 52.198  1.9496 21.574   1.5954  19.490   2.3812  23.272   2.1490  49.143  3.1069 54.024  2.5374 -4.881546      4.011383 
1 1 1 28 1  23 o 27.597  2.9876 6.1825   1.2719  5.7874   1.7936  6.5821   1.8039  26.121  4.5451 28.024  4.2384 -1.903402      6.214705 
1 1 1 28 1  24 o 31.586  2.5919 8.0204   1.2721  7.6863   1.7668  8.3801   1.8331  30.497  3.7764 31.876  3.7394 -1.379042      5.314522 
1 1 1 28 1  25 o 53.918  1.8346 23.014   1.5507  22.486   2.1917  23.544   2.1943  53.018  2.6370 54.275  2.5790 -1.256153      3.688486 
1 1 1 28 1  26 o 17.101  4.4793 2.5205   1.2152  2.3920   1.7114  2.6512   1.7257  16.838  5.5708 17.541  5.5783 -0.7037926     7.883599 
1 1 1 28 1  27 o 32.237  2.6013 8.3715   1.3034  8.3538   1.8268  8.3898   1.8603  31.758  3.7411 31.797  3.8078 -0.3902245E-01 5.338036 
1 1 1 28 1  28 o 28.427  2.8246 6.5594   1.2421  6.3630   1.8117  6.7336   1.7062  27.365  4.3702 28.361  3.9443 -0.9960709     5.886930 
1 1 1 28 1  29 o 48.277  1.9441 18.506   1.4714  19.231   2.0926  17.797   2.0693  48.832  2.7446 46.931  2.8257 1.900990       3.939281 
1 1 1 28 1  30 o 64.549  1.7007 32.998   1.7210  31.068   2.4000  35.042   2.4692  62.286  2.4579 66.193  2.3796 -3.906944      3.421048 
1 1 1 28 1  31 o 19.849  4.2060 3.3985   1.2681  2.6118   1.7442  4.2805   1.8469  17.267  5.6197 21.800  5.4257 -4.532839      7.811467 
1 1 1 28 1  32 o 17.354  4.4828 2.6382   1.2282  2.5643   1.7775  2.7056   1.6990  17.113  5.6781 17.463  5.5331 -0.3494606     7.928159 
1 1 1 28 1  33 o 19.005  4.5007 3.1740   1.3202  3.0433   1.8062  3.3241   1.9345  18.334  5.6898 19.058  5.8842 -0.7232952     8.185239 
1 1 1 28 1  34 o 37.251  2.3886 11.186   1.3875  9.7197   1.9891  12.575   1.9364  34.004  3.7961 39.096  3.1872 -5.091675      4.956742 
1 1 1 28 1  35 o 15.093  4.9865 1.9645   1.3714  1.7695   2.1128  2.1065   1.8028  15.495  6.0370 15.839  5.6954 -0.3441563     8.299557 
1 1 1 28 1  36 o 20.818  4.1498 3.7746   1.3068  2.8543   1.8934  4.6119   1.8059  17.676  5.8601 22.483  5.2234 -4.807009      7.850164 
1 1 1 28 1  37 o 29.224  3.5169 7.1807   1.5788  7.3589   2.3539  7.0349   2.1287  28.296  5.5047 27.982  5.0378 0.3132896      7.461986 
1 1 1 28 1  38 o 23.920  4.2404 5.0005   1.5319  4.7979   2.0814  5.2399   2.2629  22.445  5.8542 23.297  6.1176 -0.8512344     8.467440 
1 1 1 28 1  39 o 12.691  4.8558 1.1504   1.3490  0.2521   1.8678  2.1298   1.9503  12.150  5.2767 15.839  5.8865 -3.688787      7.905328 
1 1 1 28 1  40 o 25.816  3.5554 5.6631   1.4007  6.4406   2.0020  4.9176   1.9605  26.642  4.9765 22.832  5.5348 3.810152       7.443111 
1 1 1 28 1  41 o 9.3198  4.1467 -0.2208  1.2192  0.2903   1.7394  -0.7144  1.7094  11.824  5.1134 10.268  4.7041 1.555261       6.948067 
1 1 1 28 1  42 o 7.4603  3.5875 -1.5828  1.2298  -0.6562  1.8185  -2.3636  1.6693  10.657  4.8708 8.3805  4.0662 2.276155       6.344981 
1 1 1 28 1  43 o 15.514  4.6906 2.1840   1.2377  3.2546   1.7911  1.2057   1.7123  18.412  5.6581 13.400  5.3670 5.012208       7.798633 
1 1 1 28 1  44 o 13.919  4.7611 1.6851   1.2493  1.3314   1.7579  2.0460   1.7759  13.710  5.4558 15.304  5.6303 -1.593187      7.839989 
1 1 1 28 1  45 o 19.859  4.2349 3.5329   1.2782  5.1300   1.8230  1.9886   1.7926  23.435  5.1065 15.148  5.6408 8.287235       7.608846 
1 1 1 28 1  46 o 15.903  4.8053 2.3370   1.2992  4.9005   1.8874  0.0285   1.7911  22.623  5.3973 11.429  5.0583 11.19446       7.397073 
1 1 1 28 1  47 o 40.798  2.3829 13.580   1.5175  11.952   2.2312  14.981   2.0699  37.080  3.8966 42.254  3.1474 -5.173862      5.008939 
1 1 1 28 1  48 o 21.079  4.2763 4.0224   1.3648  1.6494   1.7562  7.6400   2.1684  14.188  5.5107 28.594  5.0206 -14.40546      7.454799 
1 1 1 28 1  49 o 28.829  2.9287 6.9792   1.3052  7.9610   1.7755  5.8246   1.9254  30.118  3.8484 24.698  5.1401 5.420347       6.421078 
1 1 1 28 1  50 o 20.391  4.1860 3.7919   1.2933  1.2399   1.7154  7.1529   1.9686  13.127  5.3315 27.736  4.6951 -14.60982      7.104095 
1 1 1 28 1  51 f 8.0323  3.7766 -0.9401  1.2171  -0.8752  1.6733  -1.0130  1.7734  9.6665  4.5068 9.8035  4.5932 -0.1369772     6.434943 
1 1 1 28 1  52 f 63.517  1.7968 32.522   1.7891  32.638   2.5605  32.412   2.5011  62.681  2.6057 62.536  2.5512 0.1444817      3.646671 
1 1 1 28 2  0  o 8.0971  5.3440 -0.3126  1.7498  -0.3126  1.7498  -0.3126  1.7498  8.0971  5.3440 8.0971  5.3440 0.000000       0.000000 
1 1 1 28 2  1  o 22.895  3.6074 4.3223   1.2519  6.3190   1.7969  2.4388   1.7452  27.536  4.3036 17.193  5.6226 10.34312       7.080536 
1 1 1 28 2  2  o 35.713  2.3814 10.169   1.3256  9.6939   1.8419  10.679   1.9093  34.548  3.4469 36.295  3.3952 -1.746674      4.838212 
1 1 1 28 2  3  o 17.619  4.4385 2.6372   1.2254  3.0641   1.7802  2.2529   1.6892  18.900  5.6056 16.642  5.5359 2.258118       7.878410 
1 1 1 28 2  4  o 43.908  2.0906 15.262   1.4390  16.587   2.1080  14.106   1.9692  45.454  2.9748 41.886  3.0192 3.567764       4.238525 
1 1 1 28 2  5  o 82.190  1.5493 53.241   1.9962  57.513   2.9007  49.399   2.7512  85.198  2.1718 78.940  2.2232 6.258759       3.107949 
1 1 1 28 2  6  o 10.288  4.3070 0.2198   1.1658  0.2678   1.6667  0.1738   1.6312  12.104  5.1129 11.821  5.0287 0.2829294      7.171426 
1 1 1 28 2  7  f 24.665  3.2154 4.9589   1.2137  5.9862   1.7396  3.9846   1.6941  26.776  4.2891 21.503  5.1024 5.272619       6.665682 
1 1 1 28 2  8  o 64.566  1.6758 32.892   1.6962  33.676   2.4206  32.136   2.3775  65.116  2.3713 63.606  2.3843 1.510441       3.362737 
1 1 1 28 2  9  o 39.881  2.1904 12.646   1.3642  14.318   1.9303  10.978   1.9282  42.212  2.9353 36.784  3.3817 5.428429       4.477941 
1 1 1 28 2  10 o 28.137  2.8506 6.3879   1.2400  5.5329   1.7324  7.2864   1.7758  25.635  4.4736 29.721  3.9059 -4.086054      5.938766 
1 1 1 28 2  11 o 9.7939  4.2129 -0.0096  1.1680  0.2144   1.6544  -0.2321  1.6492  11.946  5.0727 11.173  4.9030 0.7723722      7.054902 
1 1 1 28 2  12 o 19.807  4.0536 3.3058   1.2163  3.2135   1.7345  3.3952   1.7060  19.252  5.4827 19.772  5.3666 -0.5198097     7.672070 
1 1 1 28 2  13 f 45.159  2.0076 16.148   1.4213  15.114   2.0135  17.175   2.0065  43.330  2.9824 46.282  2.7784 -2.951412      4.076043 
1 1 1 28 2  14 o 52.278  1.8365 21.609   1.5051  20.708   2.1210  22.522   2.1362  50.867  2.6691 53.155  2.5635 -2.287582      3.700800 
1 1 1 28 2  15 o 43.635  2.2220 15.156   1.5150  15.433   2.2524  14.927   2.0472  43.630  3.3180 43.013  3.0559 0.6161308      4.510887 
1 1 1 28 2  16 o 27.098  3.0895 5.9731   1.2890  4.8409   1.8425  7.0583   1.8039  23.636  5.1205 29.128  4.0609 -5.491602      6.535316 
1 1 1 28 2  17 o 21.411  4.0339 3.8615   1.3043  4.1254   1.7747  3.5514   1.9234  21.726  5.2656 20.082  5.7909 1.644558       7.826944 
1 1 1 28 2  18 o 16.095  4.7252 2.2074   1.2704  1.7360   1.8588  2.6206   1.7403  15.473  5.7476 17.530  5.6048 -2.056679      8.027940 
1 1 1 28 2  19 o 12.330  4.6970 0.9615   1.2587  -0.4487  1.8679  2.1345   1.7036  11.501  5.1239 16.197  5.5592 -4.695654      7.560323 
1 1 1 28 2  20 o 19.100  4.6749 3.1571   1.3885  3.5723   1.9935  2.7660   1.9350  20.055  5.9279 17.979  5.9224 2.076401       8.379389 
1 1 1 28 2  21 o 9.5969  4.2541 -0.3052  1.2717  1.3450   1.9147  -1.6075  1.7010  14.678  5.7392 9.4599  4.4531 5.218270       7.264173 
1 1 1 28 2  22 o 36.509  2.5260 10.706   1.4368  11.099   2.0886  10.352   1.9797  36.693  3.6806 35.459  3.6119 1.234215       5.156762 
1 1 1 28 2  23 o 16.843  5.0482 2.4572   1.4382  1.8686   1.9243  3.2019   2.1647  15.762  5.8493 19.059  6.2633 -3.296931      8.569908 
1 1 1 28 2  24 o 9.1563  4.2118 -0.8704  1.3895  -1.6713  1.8580  0.1460   2.0931  9.9101  4.6617 12.937  5.6021 -3.026930      7.288000 
1 1 1 28 2  25 o 31.213  3.2408 7.9903   1.5627  7.9290   2.1801  8.0551   2.2410  30.366  4.7341 30.552  4.8403 -0.1853065     6.770516 
1 1 1 28 2  26 o 34.634  2.9846 9.7687   1.6046  9.3015   2.1362  10.374   2.4309  33.196  4.1988 34.869  4.5560 -1.673084      6.195669 
1 1 1 28 2  27 o 24.151  3.9291 4.9371   1.4364  4.9548   2.0586  4.9204   2.0053  23.356  5.6776 23.331  5.5614 0.2485466E-01  7.947579 
1 1 1 28 2  28 o 18.088  4.7014 2.8850   1.3454  1.4790   1.9740  4.1045   1.8385  14.856  5.8222 21.280  5.4784 -6.423936      7.994483 
1 1 1 28 2  29 o 44.505  2.2755 15.890   1.5823  15.232   2.3102  16.472   2.1717  42.931  3.4620 44.876  3.1060 -1.944714      4.651137 
1 1 1 28 2  30 o 41.850  2.3170 14.080   1.5142  10.485   2.2965  16.846   2.0141  35.050  4.2675 45.510  2.8371 -10.46056      5.124553 
1 1 1 28 2  31 o 40.307  2.5600 13.151   1.6092  12.866   2.5304  13.345   2.0852  38.836  4.2244 40.164  3.3421 -1.327156      5.386553 
1 1 1 28 2  32 o 10.005  4.4425 -0.2434  1.3923  -1.3314  1.9777  0.8257   1.9604  10.505  4.8983 13.445  5.6033 -2.940090      7.442431 
1 1 1 28 2  33 o 29.421  3.4827 7.2599   1.5751  7.5913   2.2209  6.9244   2.2342  29.113  5.0492 27.561  5.3641 1.552187       7.366657 
1 1 1 28 2  34 o 27.141  3.7885 6.2771   1.5680  4.0239   2.0525  9.4350   2.4298  20.514  6.0012 32.558  4.9136 -12.04345      7.756157 
1 1 1 28 2  35 o 23.494  4.2700 4.8397   1.5148  5.5913   2.0529  3.9415   2.2442  24.512  5.4799 20.105  6.3580 4.407066       8.393697 
1 1 1 28 2  36 o 38.707  2.4588 12.167   1.4842  12.986   2.2494  11.535   1.9753  39.152  3.7090 37.080  3.4372 2.072201       5.056787 
1 1 1 28 2  37 o 11.251  4.5358 0.6900   1.2317  0.1773   1.7483  1.1953   1.7355  11.678  5.0882 13.495  5.4040 -1.817239      7.422410 
1 1 1 28 2  38 o 24.110  3.5156 4.9533   1.2897  2.5609   1.8596  7.1701   1.7901  16.672  5.8033 28.707  4.0936 -12.03487      7.101773 
1 1 1 28 2  39 o 32.017  2.7533 8.4431   1.3685  8.0784   1.9943  8.7676   1.8814  30.292  4.3222 31.935  3.8347 -1.642324      5.778066 
1 1 1 28 2  40 f 29.796  3.0010 7.3940   1.3827  5.8991   2.0191  8.7142   1.8975  25.090  5.2995 31.766  3.8917 -6.675718      6.574936 
1 1 1 28 2  41 o 21.124  4.1716 3.9664   1.3324  6.7934   2.0543  1.9135   1.7505  27.172  5.0071 14.957  5.5733 12.21481       7.492185 
1 1 1 28 2  42 o 17.047  4.6980 2.6812   1.2958  2.0512   1.8487  3.2897   1.8169  15.327  5.7242 18.392  5.7064 -3.065726      8.082617 
1 1 1 28 2  43 o 24.210  3.6940 5.0768   1.3576  3.8886   1.9300  6.2406   1.9100  19.823  5.8252 26.057  4.8544 -6.234798      7.582782 
1 1 1 28 2  44 o 32.116  2.8354 8.5684   1.4129  7.2558   2.0320  9.7970   1.9658  28.152  4.7748 33.638  3.7941 -5.486177      6.098667 
1 1 1 28 2  45 o 12.886  4.8400 1.3330   1.3254  -1.2300  1.8849  3.8396   1.8640  10.050  4.7170 19.640  5.7115 -9.590449      7.407534 
1 1 1 28 2  46 o 15.150  4.9082 2.1419   1.3313  3.7917   1.9766  0.7722   1.8010  19.274  5.9474 12.518  5.3028 6.756054       7.968123 
1 1 1 28 2  47 o 16.079  4.8442 2.4585   1.3218  3.5112   1.7604  1.0981   2.0012  18.698  5.5808 13.366  5.6219 5.332373       7.921544 
1 1 1 28 2  48 o 9.8944  4.4148 -0.1060  1.3924  -0.2902  1.7591  0.2031   2.2786  10.676  4.8452 12.488  5.6042 -1.811336      7.408314 
1 1 1 28 2  49 o 13.684  4.8548 1.7172   1.3057  2.1498   1.7638  1.1927   1.9422  14.984  5.5922 13.245  5.5530 1.739547       7.880918 
1 1 1 28 2  50 o 30.396  3.2142 7.9759   1.5084  7.7559   2.1272  8.1984   2.1391  28.287  4.9789 29.252  4.8335 -0.9657154     6.939177 
1 1 1 28 3  0  o 63.563  2.3877 31.987   2.3716  31.987   2.3716  31.987   2.3716  63.563  2.3877 63.563  2.3877 0.000000       0.000000 
1 1 1 28 3  1  o 11.362  4.5078 0.6439   1.1967  3.2603   1.7557  -1.6269  1.6356  19.330  5.5200 9.2346  4.3530 10.09582       7.029855 
1 1 1 28 3  2  o 15.798  4.6515 2.1143   1.2295  1.8486   1.8207  2.3372   1.6671  15.704  5.7124 16.748  5.4961 -1.043984      7.927096 
1 1 1 28 3  3  o 21.248  4.1004 3.8085   1.3163  3.1115   1.8329  4.5510   1.8916  18.920  5.7054 22.811  5.3776 -3.890387      7.840283 
1 1 1 28 3  4  o 20.675  3.9172 3.5911   1.2231  3.2754   1.7415  3.8984   1.7182  19.367  5.4863 21.143  5.2162 -1.775894      7.570270 
1 1 1 28 3  5  o 61.949  1.7336 30.327   1.6836  30.169   2.3825  30.485   2.3794  61.531  2.4700 61.859  2.4536 -0.3286858     3.481519 
1 1 1 28 3  6  o 12.566  4.6107 1.1020   1.1898  0.2117   1.6530  2.0592   1.7140  11.892  5.0606 16.053  5.5724 -4.161639      7.527306 
1 1 1 28 3  7  o 39.489  2.3346 12.449   1.4388  13.094   2.0095  11.770   2.0610  40.183  3.2170 37.966  3.5023 2.216831       4.755589 
1 1 1 28 3  8  o 57.752  1.8111 26.383   1.6397  24.784   2.2670  28.136   2.3746  55.709  2.5958 59.375  2.5511 -3.666092      3.639569 
1 1 1 28 3  9  o 44.982  2.0835 16.055   1.4693  15.731   2.0912  16.371   2.0647  44.128  3.0416 45.064  2.9387 -0.9366570     4.229285 
1 1 1 28 3  10 o 61.220  1.7461 29.634   1.6758  30.759   2.3657  28.502   2.3741  62.119  2.4293 59.753  2.5344 2.366440       3.510687 
1 1 1 28 3  11 f 40.981  2.2134 13.389   1.4167  13.589   1.9687  13.174   2.0404  40.966  3.0882 40.258  3.2609 0.7075539      4.491177 
1 1 1 28 3  12 o 21.321  3.9147 3.8261   1.2602  2.6048   1.7773  5.0610   1.7872  17.472  5.6721 24.208  4.8779 -6.735676      7.481122 
1 1 1 28 3  13 o 85.544  1.5612 57.780   2.0936  56.840   2.9739  58.703   2.9478  84.518  2.2445 85.923  2.1884 -1.405037      3.134835 
1 1 1 28 3  14 o 10.073  4.3530 -0.0189  1.2587  -1.5282  1.9284  1.1013   1.6614  10.337  4.8256 13.617  5.3400 -3.280141      7.197391 
1 1 1 28 3  15 o 26.701  3.2169 5.8430   1.3194  5.5414   1.8924  6.1283   1.8405  25.279  4.9525 26.808  4.5415 -1.528950      6.719543 
1 1 1 28 3  16 f 36.671  2.3909 10.776   1.3669  13.413   1.9769  8.3603   1.8922  40.627  3.1280 31.699  3.8892 8.927561       4.991056 
1 1 1 28 3  17 o 13.335  4.8339 1.3160   1.3021  2.3923   1.7485  -0.0241  1.9510  16.814  5.6330 12.307  5.3684 4.506745       7.781410 
1 1 1 28 3  18 o 17.383  4.4808 2.6196   1.2288  2.6981   1.7504  2.5433   1.7254  17.603  5.6202 17.176  5.5893 0.4268456      7.926353 
1 1 1 28 3  19 o 34.977  2.4752 9.8375   1.3484  10.391   1.9922  9.3697   1.8318  35.451  3.6362 33.704  3.5189 1.747257       5.060106 
1 1 1 28 3  20 f 26.824  3.0551 5.8931   1.2618  7.1443   1.8657  4.8385   1.7129  29.045  4.2211 23.551  4.8023 5.493341       6.393768 
1 1 1 28 3  21 o 43.641  2.1102 15.171   1.4437  14.871   2.1330  15.424   1.9611  42.654  3.2134 43.616  2.8845 -0.9612541     4.318129 
1 1 1 28 3  22 o 23.238  3.7044 4.5423   1.3042  3.6599   1.9053  5.3204   1.7890  20.063  5.7571 24.674  4.7979 -4.610723      7.494266 
1 1 1 28 3  23 o 14.367  4.6918 1.7345   1.2154  -0.9824  1.7214  4.4351   1.7163  10.174  4.6828 22.347  5.0215 -12.17314      6.866149 
1 1 1 28 3  24 o 8.1764  3.8155 -0.9881  1.2035  1.1228   1.8078  -2.6683  1.6129  13.796  5.5185 8.0492  3.9259 5.746536       6.772464 
1 1 1 28 3  25 o 32.384  2.8027 8.5447   1.4088  7.1892   2.0684  9.7177   1.9241  28.684  4.7673 34.115  3.6547 -5.431118      6.006960 
1 1 1 28 3  26 o 13.387  4.9736 1.3323   1.3921  2.8594   1.9643  -0.2087  1.9732  17.823  5.9705 11.919  5.2905 5.903774       7.977220 
1 1 1 28 3  27 o 33.399  3.0455 9.1714   1.5771  8.1546   2.2524  10.149   2.2089  30.407  4.8909 34.476  4.1718 -4.069134      6.428485 
1 1 1 28 3  28 o 11.909  4.9793 0.5312   1.5553  0.2306   2.2716  0.7964   2.1339  13.221  5.7790 13.762  5.7977 -0.5407553     8.185993 
1 1 1 28 3  29 o 45.733  2.4870 16.928   1.7763  16.111   2.6033  17.640   2.4299  43.677  3.8410 46.078  3.3876 -2.400616      5.121466 
1 1 1 28 3  30 f 9.2779  4.2565 -0.7287  1.4064  -0.4345  2.1236  -0.9585  1.8771  11.908  5.3711 10.566  4.8729 1.342059       7.252161 
1 1 1 28 3  31 o 53.307  2.1355 22.799   1.7846  25.079   2.7849  21.211   2.3247  55.008  3.2438 50.831  2.9297 4.177040       4.371007 
1 1 1 28 3  32 o 38.612  2.6125 12.160   1.5721  11.825   2.1050  12.582   2.3640  37.406  3.6355 38.313  3.9946 -0.9070168     5.401320 
1 1 1 28 3  33 o 53.635  2.0888 23.091   1.7563  22.922   2.2140  23.376   2.8846  52.985  2.6741 52.759  3.5077 0.2260437      4.410712 
1 1 1 28 3  34 o 19.267  4.7186 3.3875   1.4139  3.1003   1.8867  3.7553   2.1354  18.024  5.8434 19.540  6.2043 -1.516182      8.522881 
1 1 1 28 3  35 o 20.567  4.7607 3.8698   1.5046  3.4730   1.8575  4.6267   2.5657  18.971  5.7488 21.158  6.8096 -2.186975      8.911715 
1 1 1 28 3  36 o 17.040  5.2582 2.7210   1.5451  2.3617   2.1804  3.0834   2.1898  16.317  6.1899 17.848  6.2918 -1.531818      8.826237 
1 1 1 28 3  37 o 9.7874  4.3726 -0.2391  1.3705  1.2518   1.8607  -2.0073  2.0263  13.709  5.5579 9.8006  4.6840 3.908005       7.268477 
1 1 1 28 3  38 o 41.532  2.3122 14.010   1.4994  15.238   2.2004  12.945   2.0488  42.545  3.3256 39.161  3.3700 3.383961       4.734601 
1 1 1 28 3  39 o 52.385  2.0797 22.102   1.7079  22.938   2.4424  21.302   2.3891  52.565  2.9762 50.603  3.0255 1.961353       4.243954 
1 1 1 28 3  40 o 14.178  4.9739 1.7695   1.3674  0.4811   1.9041  3.1416   1.9649  12.376  5.3512 17.850  5.9714 -5.474237      8.018292 
1 1 1 28 3  41 o 45.529  2.3226 16.872   1.6522  18.159   2.4068  15.726   2.2722  46.347  3.3348 43.061  3.3934 3.285599       4.757725 
1 1 1 28 3  42 o 19.646  4.5145 3.5549   1.3612  3.6370   1.8792  3.4644   1.9744  19.067  5.7832 18.527  5.9748 0.5397816      8.315259 
1 1 1 28 3  43 o 29.442  2.9754 7.2830   1.3545  8.2949   1.8657  6.1553   1.9696  30.677  3.9727 25.475  5.1097 5.202475       6.472386 
1 1 1 28 3  44 o 10.454  4.4653 0.3417   1.2956  -1.3349  1.8512  1.9510   1.8138  9.7712  4.6136 14.784  5.6367 -5.012486      7.284078 
1 1 1 28 3  45 o 30.138  3.0849 7.7105   1.4370  7.1707   2.1213  8.1684   1.9535  27.326  5.1406 30.038  4.2685 -2.712055      6.681778 
1 1 1 28 3  46 o 11.578  4.7440 0.8320   1.3734  0.0737   2.1004  1.3984   1.8153  11.907  5.3589 13.476  5.4801 -1.569048      7.664802 
1 1 1 28 3  47 o 11.499  4.7890 0.7682   1.4306  1.0821   2.3637  0.5867   1.7972  13.591  5.9192 11.928  5.1782 1.662674       7.864474 
1 1 1 28 3  48 o 18.167  4.9218 3.2859   1.4365  2.3024   2.2426  3.9703   1.8707  15.245  6.1294 19.243  5.7551 -3.997372      8.407841 
1 1 1 28 4  0  o 13.530  7.0998 2.2296   1.9890  2.2296   1.9890  2.2296   1.9890  13.530  7.0998 13.530  7.0998 0.000000       0.000000 
1 1 1 28 4  1  o 8.6605  3.9833 -0.8036  1.2424  1.1819   1.9411  -2.1815  1.6171  14.370  5.7284 8.5517  4.1127 5.818734       7.051823 
1 1 1 28 4  2  o 50.910  1.8738 20.545   1.4955  20.193   2.2127  20.841   2.0290  50.039  2.8324 51.038  2.5359 -0.9991646     3.801739 
1 1 1 28 4  3  f 13.716  4.7855 1.4700   1.2649  2.6798   1.8427  0.3921   1.7394  17.631  5.7780 12.390  5.2280 5.240792       7.792113 
1 1 1 28 4  4  o 37.234  2.3093 11.095   1.3413  11.821   1.9902  10.491   1.8156  38.004  3.3756 35.834  3.2680 2.169891       4.698331 
1 1 1 28 4  5  o 69.645  1.6403 38.354   1.7909  36.687   2.5861  39.890   2.4826  67.760  2.4346 70.761  2.2380 -3.001053      3.306911 
1 1 1 28 4  6  o 15.024  4.6249 1.9144   1.1961  0.3039   1.7503  3.3255   1.6384  12.255  5.2111 19.389  5.2577 -7.134106      7.402651 
1 1 1 28 4  7  o 20.643  4.0185 3.6227   1.2537  3.9328   1.7818  3.3187   1.7642  21.020  5.3836 19.312  5.5393 1.707819       7.724477 
1 1 1 28 4  8  o 9.0124  4.0570 -0.4712  1.2044  -2.5231  1.7163  1.5198   1.6907  8.5978  4.1600 14.561  5.4670 -5.963365      6.869771 
1 1 1 28 4  9  f 39.836  2.2158 12.684   1.3783  11.310   1.9658  14.013   1.9329  37.116  3.4169 41.557  2.9869 -4.440929      4.538366 
1 1 1 28 4  10 o 27.433  2.9875 6.1450   1.2640  5.3312   1.8037  6.9303   1.7719  24.764  4.8195 28.701  4.0508 -3.936472      6.295770 
1 1 1 28 4  11 o 65.811  1.6905 34.288   1.7441  35.811   2.5669  32.983   2.3769  66.894  2.4478 64.245  2.3601 2.648994       3.400249 
1 1 1 28 4  12 o 38.874  2.2965 12.107   1.3933  12.603   2.0026  11.642   1.9398  39.230  3.2866 37.679  3.3179 1.550278       4.670110 
1 1 1 28 4  13 o 39.676  2.2188 12.596   1.3745  15.070   2.0628  10.621   1.8434  43.016  3.0794 35.971  3.3059 7.044159       4.517942 
1 1 1 28 4  14 o 63.698  1.7105 32.147   1.7080  33.120   2.5080  31.306   2.3326  64.272  2.4891 62.548  2.3789 1.724674       3.443094 
1 1 1 28 4  15 o 21.863  3.6782 4.0272   1.2159  5.3141   1.7887  2.9219   1.6578  24.655  4.8006 18.103  5.4186 6.552338       7.239244 
1 1 1 28 4  16 o 11.333  4.4895 0.6988   1.1855  0.6147   1.6485  0.7888   1.7060  12.447  5.1587 12.933  5.2920 -0.4860268     7.390343 
1 1 1 28 4  17 o 53.544  1.7893 22.756   1.5019  23.169   2.1333  22.349   2.1147  53.692  2.5345 52.722  2.5587 0.9704094      3.601461 
1 1 1 28 4  18 o 19.427  4.2601 3.2800   1.2617  1.6460   1.8569  4.6812   1.7196  14.974  5.7048 22.983  4.9211 -8.009631      7.534029 
1 1 1 28 4  19 o 65.553  1.7911 34.131   1.8406  36.652   2.5779  31.509   2.6288  67.556  2.4341 62.475  2.6841 5.080719       3.623473 
1 1 1 28 4  20 o 8.8513  4.0794 -0.8155  1.3122  0.3172   1.7911  -2.1277  1.9279  12.227  5.2372 9.5941  4.5808 2.633250       6.957817 
1 1 1 28 4  21 o 26.212  3.5466 5.7665   1.4199  6.1195   1.9068  5.3272   2.1274  26.343  4.7939 23.989  5.7348 2.354408       7.474589 
1 1 1 28 4  22 o 43.832  2.6460 15.587   1.8096  16.031   2.2547  14.784   3.0338  44.053  3.2885 41.152  4.7923 2.900803       5.812094 
1 1 1 28 4  23 o 30.114  3.0333 7.4782   1.4125  6.7805   1.8701  8.4049   2.1553  27.915  4.4206 31.035  4.5665 -3.119818      6.355692 
1 1 1 28 4  24 o 13.873  4.7390 1.6141   1.2378  3.8961   1.6992  -0.9657  1.8067  20.592  5.2484 10.359  4.7787 10.23269       7.097977 
1 1 1 28 4  25 o 50.208  2.0067 20.155   1.5795  21.223   2.2480  19.114   2.2197  50.963  2.8248 48.270  2.9475 2.693207       4.082549 
1 1 1 28 4  26 o 10.363  4.3708 0.3014   1.2149  -2.2932  1.6395  3.4615   1.8094  8.3842  4.0589 19.175  5.6419 -10.79045      6.950193 
1 1 1 28 4  27 o 58.492  1.7423 27.248   1.5976  26.791   2.2434  27.719   2.2757  57.529  2.4876 58.522  2.4806 -0.9931602     3.512994 
1 1 1 28 4  28 o 30.377  2.7958 7.5952   1.3164  7.8236   1.8129  7.3405   1.9146  30.164  3.9270 28.921  4.3581 1.242485       5.866364 
1 1 1 28 4  29 o 24.402  3.5473 5.0756   1.3173  6.3242   1.8164  3.6904   1.9132  26.682  4.5028 19.567  5.8129 7.114880       7.352911 
1 1 1 28 4  30 o 7.5957  3.6443 -1.5475  1.2529  -2.1756  1.6993  -0.7993  1.8547  8.6477  4.1732 10.588  4.8688 -1.940489      6.412530 
1 1 1 28 4  31 o 14.499  4.8234 1.8625   1.2823  2.2522   1.7400  1.3993   1.8972  15.807  5.6046 14.099  5.6486 1.707971       7.957229 
1 1 1 28 4  32 o 29.139  3.2252 7.1411   1.4485  6.6158   1.8701  7.9291   2.2903  27.165  4.5525 29.275  5.1800 -2.109974      6.896197 
1 1 1 28 4  33 o 24.103  4.0440 5.1071   1.4739  6.4272   2.0411  3.6685   2.1307  26.288  5.1370 19.148  6.2101 7.140228       8.059381 
1 1 1 28 4  34 o 63.892  1.8150 32.663   1.8179  32.172   2.4712  33.243   2.6837  62.829  2.5090 63.686  2.6880 -0.8572159     3.677043 
1 1 1 28 4  35 o 28.537  3.3842 6.9257   1.4845  9.1767   2.1480  4.8674   2.0540  32.105  4.3822 22.195  5.8285 9.910725       7.292086 
1 1 1 28 4  36 o 25.112  3.8232 5.5008   1.4576  7.8707   2.2590  3.8104   1.9078  29.027  5.1531 19.595  5.8011 9.432114       7.759331 
1 1 1 28 4  37 o 33.605  2.8847 9.4004   1.5050  9.9282   2.2990  9.0045   1.9908  33.200  4.5359 32.007  4.0588 1.192673       6.086796 
1 1 1 28 4  38 o 34.928  2.7157 10.097   1.4753  10.207   2.2746  10.017   1.9383  33.739  4.4057 34.050  3.6902 -0.3112221     5.747014 
1 1 1 28 4  39 o 18.455  4.7647 3.2038   1.3880  0.3826   2.0364  5.6513   1.8968  12.414  5.4478 24.397  5.1226 -11.98251      7.477987 
1 1 1 28 4  40 f 39.760  2.6878 13.093   1.6655  14.947   2.4606  11.525   2.2625  41.384  3.8364 36.082  4.0710 5.301716       5.593844 
1 1 1 28 4  41 o 33.722  3.1308 9.6371   1.6362  11.829   2.3088  7.4256   2.3191  36.440  4.1137 27.460  5.5775 8.979881       6.930470 
1 1 1 28 4  42 o 25.944  3.9707 6.0145   1.5636  7.8006   2.2048  4.2077   2.2176  28.530  5.1179 19.730  6.3288 8.799068       8.139211 
1 1 1 28 4  43 o 36.457  2.8695 11.182   1.6267  9.9554   2.1813  12.719   2.4417  33.031  4.3157 37.466  4.2314 -4.434925      6.043981 
1 1 1 28 4  44 o 11.303  4.8104 0.5961   1.4937  1.4154   2.0089  -0.4169  2.2338  13.653  5.6795 11.528  5.3165 2.124860       7.779588 
1 1 1 28 4  45 o 9.4738  4.2989 -0.2781  1.3843  -0.7292  1.9821  0.1514   1.9342  10.543  4.9119 11.495  5.1606 -0.9520521     7.124493 
1 1 1 28 4  46 o 28.392  3.6074 7.1929   1.5694  7.7914   2.3995  6.7454   2.0747  27.116  5.8188 25.764  5.3133 1.352819       7.879744 
1 1 1 28 5  0  o 35.982  3.8025 10.689   2.0901  10.689   2.0901  10.689   2.0901  35.982  3.8025 35.982  3.8025 0.000000       0.000000 
1 1 1 28 5  1  o 10.722  4.4869 0.3326   1.2645  -0.8181  1.9564  1.1582   1.6571  11.132  5.0742 13.570  5.3295 -2.437801      7.358696 
1 1 1 28 5  2  o 34.877  2.4699 9.8077   1.3417  10.244   1.9530  9.4178   1.8464  35.115  3.5985 33.682  3.5503 1.433315       5.055099 
1 1 1 28 5  3  f 18.896  4.1981 3.0940   1.2113  2.7241   1.7168  3.4608   1.7093  17.513  5.5634 19.574  5.3965 -2.060823      7.750686 
1 1 1 28 5  4  o 18.217  4.2989 2.8908   1.2079  2.0813   1.6581  3.8061   1.7632  15.766  5.4803 20.504  5.4078 -4.738139      7.699211 
1 1 1 28 5  5  o 49.315  1.9055 19.338   1.4731  19.525   2.0536  19.140   2.1144  49.147  2.6755 48.597  2.7870 0.5503349      3.863358 
1 1 1 28 5  6  o 23.100  3.6067 4.4875   1.2635  6.5339   1.7929  2.4687   1.7808  27.623  4.2786 16.845  5.6845 10.77821       7.114779 
1 1 1 28 5  7  o 13.936  4.6792 1.6085   1.2066  1.4325   1.6653  1.8032   1.7506  14.173  5.4017 15.167  5.5885 -0.9944162     7.772344 
1 1 1 28 5  8  o 10.234  4.3213 0.2336   1.1897  1.7757   1.6689  -1.3597  1.6964  14.981  5.4661 9.6139  4.5005 5.366826       7.080400 
1 1 1 28 5  9  o 40.413  2.2247 13.101   1.4040  13.527   1.9494  12.641   2.0238  40.647  3.0822 39.148  3.3293 1.499092       4.536977 
1 1 1 28 5  10 o 17.932  4.3327 2.8163   1.2044  1.6826   1.6640  4.0635   1.7454  14.725  5.4443 21.181  5.2761 -6.455380      7.581393 
1 1 1 28 5  11 o 17.901  4.3526 2.8117   1.2096  1.9032   1.6733  3.8062   1.7507  15.262  5.4870 20.431  5.3885 -5.169458      7.690460 
1 1 1 28 5  12 o 32.703  2.7574 8.7137   1.4004  8.4312   1.7827  9.1689   2.2633  31.722  3.6515 32.538  4.5625 -0.8157558     5.843757 
1 1 1 28 5  13 o 13.361  4.8479 1.3818   1.3101  1.2913   1.7279  1.5042   2.0093  13.902  5.4474 14.841  5.8558 -0.9392805     7.997795 
1 1 1 28 5  14 o 25.339  3.5766 5.4062   1.3813  4.9222   1.8269  6.0520   2.1104  23.354  5.1302 25.798  5.3918 -2.443819      7.442449 
1 1 1 28 5  15 o 53.798  2.1102 23.150   1.7797  23.646   2.4900  22.631   2.5447  53.779  2.9649 52.504  3.1055 1.275326       4.293625 
1 1 1 28 5  16 o 42.343  2.5638 14.535   1.6938  15.828   2.2241  12.750   2.6137  43.751  3.2662 38.426  4.4193 5.324322       5.495337 
1 1 1 28 5  17 o 13.161  4.7700 1.3559   1.2678  1.0470   1.7466  1.7000   1.8433  13.357  5.3955 14.890  5.6812 -1.532812      7.835019 
1 1 1 28 5  18 o 16.761  4.9468 2.5358   1.3891  4.1034   1.8556  0.5373   2.0952  20.953  5.5580 13.206  5.6604 7.747375       7.932945 
1 1 1 28 5  19 o 37.990  2.6144 11.752   1.5476  13.454   2.0584  9.5386   2.3470  40.232  3.2925 32.895  4.6835 7.337463       5.725022 
1 1 1 28 5  20 o 32.328  2.7394 8.5626   1.3753  7.4868   1.8445  9.9094   2.0638  29.441  4.1085 34.046  3.9395 -4.604786      5.692019 
1 1 1 28 5  21 o 25.427  3.3175 5.4354   1.2909  4.9480   1.7626  5.9993   1.8958  23.311  4.9749 25.805  4.8649 -2.493868      6.958201 
1 1 1 28 5  22 o 35.639  2.4831 10.334   1.3786  10.409   1.8612  10.242   2.0521  35.210  3.4148 34.623  3.8458 0.5867462      5.143079 
1 1 1 28 5  23 o 17.642  4.6586 2.8305   1.3075  4.4926   1.7586  0.7759   1.9552  21.990  5.1855 13.149  5.5452 8.840926       7.592055 
1 1 1 28 5  24 o 46.326  2.1516 17.265   1.5625  16.355   2.1018  18.390   2.3363  44.440  3.0350 47.005  3.1894 -2.565102      4.402664 
1 1 1 28 5  25 o 31.631  2.6574 8.2151   1.3055  7.8033   1.8001  8.6721   1.8962  30.056  3.9132 31.715  3.8957 -1.659622      5.521780 
1 1 1 28 5  26 o 31.296  2.8155 8.0948   1.3665  9.4421   2.0189  6.9557   1.8564  33.013  3.9814 28.017  4.3692 4.995382       5.911178 
1 1 1 28 5  27 o 44.515  2.1325 15.963   1.4882  15.426   2.1708  16.439   2.0441  42.902  3.2519 44.553  2.9432 -1.650803      4.386040 
1 1 1 28 5  28 o 16.352  4.8228 2.4721   1.3208  3.8260   1.9196  1.2549   1.8201  19.726  5.8131 13.622  5.5060 6.104460       8.006759 
1 1 1 28 5  29 o 16.328  4.7827 2.4682   1.3028  1.1885   1.8816  3.6469   1.8057  13.572  5.5560 19.337  5.6210 -5.764701      7.903488 
1 1 1 28 5  30 o 24.084  3.7564 5.0441   1.3719  6.2094   2.0114  4.0302   1.8761  25.724  5.1670 20.255  5.6793 5.469603       7.678024 
1 1 1 28 5  31 o 9.9465  4.4197 -0.1333  1.3806  -0.9739  1.9424  0.7250   1.9627  10.526  4.8902 12.873  5.4972 -2.347213      7.357498 
1 1 1 28 5  32 o 43.929  2.3171 15.709   1.5901  17.079   2.3496  14.552   2.1598  44.910  3.3618 41.448  3.3526 3.461407       4.747780 
1 1 1 28 5  33 o 23.510  4.1394 4.9314   1.4699  6.5010   2.1241  3.4889   2.0363  26.056  5.3784 18.565  6.0734 7.491470       8.112551 
1 1 1 28 5  34 o 27.057  3.6974 6.3625   1.5272  8.8962   2.0970  3.5002   2.2288  31.488  4.3654 18.428  6.3567 13.06006       7.711304 
1 1 1 28 5  35 o 15.748  5.1647 2.3492   1.4721  2.2391   1.9360  2.5003   2.2668  15.580  5.8501 16.284  6.2785 -0.7046251     8.581573 
1 1 1 28 5  36 o 10.459  4.5805 0.1175   1.4331  2.4076   2.0898  -1.9151  1.9689  15.962  6.0589 9.5797  4.5888 6.382025       7.600540 
1 1 1 28 5  37 o 10.894  4.6356 0.4406   1.3868  1.4159   1.9698  -0.5177  1.9527  13.870  5.6822 10.949  5.0204 2.920435       7.582341 
1 1 1 28 5  38 o 24.863  3.9814 5.5272   1.4995  7.3956   2.1421  3.7321   2.0997  27.807  5.1020 18.772  6.1686 9.034552       8.005133 
1 1 1 28 5  39 o 14.630  4.9922 2.0233   1.3736  5.5959   1.9282  -1.6577  1.9572  23.845  5.2961 9.6889  4.6231 14.15580       7.030074 
1 1 1 28 5  40 o 9.2198  4.2526 -0.6068  1.4302  -2.5561  1.9490  1.6681   2.1054  8.8806  4.3279 14.257  5.8615 -5.376166      7.286164 
1 1 1 28 5  41 o 12.176  4.8326 1.1331   1.3760  2.7553   2.0203  -0.2703  1.8792  16.237  5.9997 10.876  4.9635 5.360284       7.786766 
1 1 1 28 5  42 o 10.483  4.5281 0.3705   1.3605  -0.3864  1.9909  1.0338   1.8636  10.929  5.0325 12.672  5.3825 -1.742682      7.368730 
1 1 1 28 5  43 o 13.007  4.9228 1.5349   1.3770  0.4863   1.9746  2.5276   1.9213  11.920  5.2918 15.483  5.8251 -3.562892      7.869878 
1 1 1 28 6  0  o 34.660  4.9893 10.354   2.5478  10.354   2.5478  10.354   2.5478  34.660  4.9893 34.660  4.9893 0.000000       0.000000 
1 1 1 28 6  1  o 45.723  2.2501 16.787   1.6128  18.754   2.2751  14.799   2.2868  47.768  3.0542 42.110  3.4956 5.657925       4.641923 
1 1 1 28 6  2  o 18.363  5.0277 3.0677   1.4897  3.7741   1.9432  2.0609   2.3201  20.006  5.8355 16.224  6.3248 3.781815       8.605583 
1 1 1 28 6  3  o 42.490  2.5905 14.660   1.7173  12.239   2.1712  18.706   2.8066  38.144  3.6765 47.078  3.8362 -8.934563      5.313441 
1 1 1 28 6  4  o 22.458  4.7224 4.5061   1.6099  2.8921   1.9271  8.2345   2.9289  17.727  5.9137 29.096  6.5759 -11.36934      8.843863 
1 1 1 28 6  5  f 16.051  5.5379 2.2663   1.6917  1.8141   2.0711  3.1726   2.9320  15.416  5.9853 18.697  7.1576 -3.280492      9.330317 
1 1 1 28 6  6  o 24.936  4.4913 5.4749   1.6911  4.8790   2.0637  6.6933   2.9509  22.734  5.7781 25.674  7.0954 -2.939556      9.150508 
1 1 1 28 6  7  o 14.842  5.4346 1.8066   1.6518  3.0821   2.0610  -0.4841  2.7619  18.167  6.1155 13.365  6.0675 4.802053       8.614758 
1 1 1 28 6  8  o 25.038  4.6582 5.5714   1.7611  4.1303   2.2293  7.9633   2.8722  20.618  6.3085 28.531  6.5588 -7.913164      9.100312 
1 1 1 28 6  9  o 16.712  5.5447 2.5360   1.6950  1.6894   2.2841  3.5736   2.5286  15.421  6.1908 19.237  6.7630 -3.816438      9.168718 
1 1 1 28 6  10 o 13.424  5.1625 1.3055   1.5295  2.0533   2.0741  0.4141   2.2646  15.831  6.0297 13.343  5.8024 2.488976       8.368105 
1 1 1 28 6  11 f 16.952  5.1915 2.6317   1.5094  3.0412   2.0044  2.0954   2.2939  17.989  6.0311 16.131  6.2889 1.857328       8.713493 
1 1 1 28 6  12 o 19.033  4.8840 3.3109   1.4645  2.2651   2.0128  4.4873   2.1348  16.178  5.9865 21.496  6.0689 -5.318243      8.524670 
1 1 1 28 6  13 o 38.552  2.5478 12.104   1.5311  13.820   2.1400  10.303   2.1916  40.635  3.3904 34.525  4.1312 6.109222       5.344297 
1 1 1 28 6  14 o 14.026  4.8382 1.6806   1.2912  0.3742   1.7554  3.2205   1.9058  12.024  5.1682 18.380  5.8641 -6.356766      7.816492 
1 1 1 28 6  15 o 29.688  3.0800 7.3377   1.4126  8.1416   1.9412  6.4329   2.0595  30.593  4.1550 26.463  5.1497 4.130877       6.616923 
1 1 1 28 6  16 o 37.586  2.5016 11.511   1.4656  11.927   2.0608  11.085   2.0847  37.564  3.5412 36.054  3.7429 1.510590       5.152660 
1 1 1 28 6  17 f 12.534  4.7664 1.1583   1.2947  -0.6465  1.7554  3.3118   1.9174  10.478  4.7877 18.523  5.8790 -8.045023      7.581806 
1 1 1 28 6  18 o 34.287  2.7239 9.6679   1.4520  9.5835   2.0092  9.7603   2.1009  33.329  3.9203 33.512  4.0834 -0.1828194     5.660699 
1 1 1 28 6  19 o 23.335  3.5767 4.6736   1.2667  5.4423   1.7363  3.7989   1.8521  24.509  4.6899 19.807  5.6740 4.701571       7.361333 
1 1 1 28 6  20 o 27.158  3.1978 6.2077   1.3353  7.3708   1.7900  4.7481   2.0052  29.063  4.0378 22.089  5.7387 6.974329       7.016908 
1 1 1 28 6  21 o 19.360  4.3024 3.3740   1.2719  1.5339   1.6759  5.8739   1.9533  13.986  5.3967 25.099  5.1373 -11.11338      7.450965 
1 1 1 28 6  22 o 15.290  4.8098 2.1387   1.2858  2.6704   1.7128  1.4522   1.9463  16.771  5.5742 14.183  5.7074 2.587746       7.977906 
1 1 1 28 6  23 o 21.356  4.1758 4.0718   1.3479  4.1163   1.8412  4.0204   1.9787  20.558  5.5731 20.101  5.8959 0.4566975      8.113034 
1 1 1 28 6  24 o 16.116  4.6971 2.4026   1.2594  4.2508   1.7796  0.5481   1.7826  21.006  5.3803 12.206  5.2263 8.799708       7.500784 
1 1 1 28 6  25 f 13.346  4.7533 1.5210   1.2529  0.7183   1.7390  2.3875   1.8067  12.384  5.2265 15.983  5.7063 -3.598920      7.738120 
1 1 1 28 6  26 o 72.432  1.6908 41.917   1.9199  43.284   2.8415  40.768   2.6041  72.803  2.4897 70.816  2.3457 1.987206       3.420679 
1 1 1 28 6  27 o 32.439  2.7876 8.7397   1.4038  9.5315   2.0742  8.0706   1.9069  32.850  4.1183 30.186  4.1386 2.663778       5.838580 
1 1 1 28 6  28 o 54.236  1.9794 23.685   1.6830  26.964   2.4911  20.932   2.2827  57.135  2.7812 50.145  2.9164 6.990326       4.029960 
1 1 1 28 6  29 o 23.496  3.8561 4.8643   1.3710  4.5413   1.9880  5.1574   1.8933  21.249  5.8038 23.096  5.3364 -1.847769      7.884288 
1 1 1 28 6  30 o 30.485  3.2144 7.8899   1.5130  6.9129   2.0657  9.0207   2.2224  27.083  5.0512 31.386  4.6583 -4.302961      6.871256 
1 1 1 28 6  31 o 10.974  4.5905 0.5519   1.3226  0.3475   1.9977  0.7115   1.7648  12.230  5.3808 12.310  5.2336 -0.7998276E-01 7.506195 
1 1 1 28 6  32 o 24.154  4.2043 5.2682   1.5342  5.7001   2.5483  5.0226   1.9214  22.826  6.6895 22.537  5.4892 0.2886658      8.653412 
1 1 1 28 6  33 o 10.617  4.5163 0.4064   1.3156  -0.4767  1.9445  1.1519   1.7866  10.957  5.0186 13.078  5.3909 -2.121786      7.365313 
1 1 1 28 6  34 o 19.956  4.8830 3.8258   1.5151  3.2833   1.9630  4.6252   2.3830  17.777  5.9684 20.461  6.5603 -2.684324      8.869020 
1 1 1 28 6  35 o 24.332  3.7855 5.2604   1.3970  6.1595   2.0725  4.5117   1.8912  24.869  5.4652 21.009  5.6287 3.859501       7.845444 
1 1 1 28 6  36 o 23.511  3.8547 4.9558   1.3715  5.8309   2.0189  4.2060   1.8689  24.080  5.4725 20.134  5.6764 3.945560       7.884791 
1 1 1 28 6  37 o 10.049  4.4022 0.1581   1.3244  -1.5149  1.8915  1.7672   1.8551  9.5590  4.5566 14.122  5.6093 -4.563432      7.226815 
1 1 1 28 6  38 o 14.233  4.9917 1.9520   1.3771  2.5486   2.0061  1.4202   1.8939  15.698  5.9417 13.413  5.5417 2.284863       8.124915 
1 1 1 28 6  39 o 15.837  4.9045 2.5118   1.3428  5.2607   2.0359  0.3953   1.7865  22.129  5.7988 11.461  5.0633 10.66722       7.698280 
1 1 1 28 6  40 o 9.5628  4.3065 -0.1112  1.3587  -1.1444  1.9476  0.8684   1.8964  9.9064  4.6938 12.298  5.3288 -2.391253      7.101290 
1 1 1 28 7  0  o 6.9196  4.9132 -2.7255  2.2637  -2.7255  2.2637  -2.7255  2.2637  6.9196  4.9132 6.9196  4.9132 0.000000       0.000000 
1 1 1 28 7  1  o 10.901  4.8520 -0.1491  1.6708  1.3189   2.1856  -2.2133  2.5917  14.414  5.9541 11.176  5.3293 3.237720       7.990761 
1 1 1 28 7  2  f 13.988  5.3625 1.5264   1.6472  -0.3478  2.3639  3.2954   2.2966  12.427  5.6303 18.338  6.4454 -5.911109      8.558236 
1 1 1 28 7  3  o 10.032  4.5766 -0.5919  1.5956  -3.3626  2.5215  1.2584   2.0606  10.150  4.9415 14.101  5.7983 -3.950976      7.618296 
1 1 1 28 7  4  o 33.900  2.9521 9.5332   1.5532  11.474   2.3783  8.0899   2.0510  36.178  4.2760 30.177  4.4708 6.001698       6.186459 
1 1 1 28 7  5  o 21.160  4.3709 4.0139   1.4019  2.6112   2.1972  4.9770   1.8207  16.840  6.2500 23.093  5.1592 -6.253519      8.104339 
1 1 1 28 7  6  o 21.204  4.3794 4.0341   1.4075  4.6468   2.2194  3.6218   1.8205  21.525  6.2242 19.356  5.6489 2.169313       8.405412 
1 1 1 28 7  7  o 50.233  2.1032 20.307   1.6562  20.441   2.5513  20.209   2.1775  49.365  3.3160 49.536  2.8156 -0.1707153     4.350082 
1 1 1 28 7  8  o 27.609  3.1268 6.3942   1.3295  2.5655   1.8324  10.650   1.9319  16.568  5.7609 35.411  3.5270 -18.84275      6.754855 
1 1 1 28 7  9  o 8.5329  3.9409 -0.7249  1.2341  -1.8773  1.7418  0.4368   1.7488  9.0315  4.3236 12.005  5.1593 -2.973752      6.731419 
1 1 1 28 7  10 o 28.677  2.9783 6.8598   1.3194  7.1639   1.8753  6.5616   1.8568  28.401  4.3505 27.022  4.5444 1.379326       6.291176 
1 1 1 28 7  11 o 20.229  4.3496 3.6891   1.3384  2.9641   1.9593  4.3234   1.8326  17.495  5.9623 21.195  5.4764 -3.699274      8.095720 
1 1 1 28 7  12 o 26.481  3.2190 5.9235   1.3089  5.4183   1.8033  6.4859   1.9027  24.212  4.9188 26.703  4.7178 -2.491373      6.815625 
1 1 1 28 7  13 o 27.816  2.9738 6.4664   1.2767  6.9194   1.7986  6.0063   1.8125  27.944  4.2387 25.695  4.6717 2.249844       6.308012 
1 1 1 28 7  14 f 17.730  4.4838 2.8803   1.2471  3.6399   1.8089  2.1924   1.7215  19.285  5.6317 15.518  5.5670 3.767608       7.918816 
1 1 1 28 7  15 o 34.140  2.6934 9.6192   1.4298  8.5524   2.0339  10.661   2.0103  31.026  4.2970 35.198  3.6986 -4.172365      5.669603 
1 1 1 28 7  16 o 24.739  3.6545 5.3003   1.3746  6.9352   2.1797  4.2206   1.7713  27.039  5.3317 20.912  5.3740 6.126514       7.570183 
1 1 1 28 7  17 o 11.504  4.6560 0.7807   1.3034  0.3338   1.8950  1.1820   1.7955  12.093  5.2824 13.343  5.4408 -1.249413      7.583257 
1 1 1 28 7  18 o 15.814  5.0518 2.3451   1.4141  0.6131   2.0448  3.9327   1.9577  12.824  5.5451 19.783  5.8810 -6.958757      8.082952 
1 1 1 28 7  19 o 17.256  4.8590 2.8076   1.3703  2.0932   2.1147  3.3247   1.7991  15.468  6.0361 18.322  5.6775 -2.853548      8.286634 
1 1 1 28 7  20 o 10.487  4.4983 0.2863   1.3249  -0.3178  2.0431  0.7247   1.7406  11.508  5.2223 12.345  5.2204 -0.8361635     7.384067 
1 1 1 28 7  21 o 24.981  3.7859 5.4663   1.4362  7.5426   2.2469  4.0322   1.8674  28.131  5.2892 20.099  5.6767 8.031614       7.758904 
1 1 1 28 7  22 o 12.441  4.8900 1.1242   1.3961  2.6278   2.1986  0.1081   1.8072  16.505  6.2266 11.475  5.0799 5.029541       8.035936 
1 1 1 28 7  23 o 31.153  3.1724 8.2236   1.5277  8.0830   2.3075  8.3334   2.0385  29.133  5.2455 30.361  4.4120 -1.228146      6.854228 
1 1 1 28 7  24 o 14.107  4.9947 1.7888   1.3814  0.3993   2.0895  2.8677   1.8412  12.498  5.5007 16.989  5.7800 -4.491523      7.979092 
1 1 1 28 7  25 o 53.789  2.1037 23.420   1.7739  24.062   2.7958  22.988   2.2951  53.133  3.3740 52.597  2.7935 0.5360489      4.380336 
1 1 1 28 7  26 o 10.822  4.6178 0.4068   1.3832  1.8055   2.1568  -0.5703  1.8028  14.795  5.9890 10.489  4.8146 4.306419       7.684307 
1 1 1 28 7  27 o 34.487  2.8670 9.9631   1.5360  13.019   2.4827  8.0681   1.9550  38.092  4.2290 29.863  4.3000 8.228695       6.031070 
1 1 1 28 7  28 o 11.180  4.6536 0.6449   1.3498  -1.3160  1.9328  2.5117   1.8858  9.9835  4.7139 15.993  5.8142 -6.009392      7.485090 
1 1 1 28 7  29 f 12.959  4.9475 1.3894   1.3985  2.2203   2.0183  0.6220   1.9396  15.354  5.9230 12.396  5.3803 2.957335       8.001887 
1 1 1 28 7  30 o 36.129  2.7216 10.902   1.5301  10.904   2.2578  10.901   2.0809  34.683  4.2409 35.090  3.8457 -0.4076233     5.724916 
1 1 1 28 7  31 o 10.205  4.5040 0.0812   1.4105  2.5293   2.2123  -1.5957  1.8310  15.910  6.1833 9.3511  4.4646 6.558580       7.626690 
1 1 1 28 7  32 o 12.288  4.8876 1.1486   1.4103  -0.2604  2.0256  2.4740   1.9647  11.252  5.1421 15.673  5.8917 -4.420962      7.820063 
1 1 1 28 7  33 o 13.280  4.9891 1.5794   1.4084  0.7622   2.0092  2.3689   1.9749  12.534  5.4581 15.368  5.8765 -2.833684      8.020215 
1 1 1 28 7  34 o 8.6655  4.0863 -1.0221  1.4439  0.9961   2.0168  -3.1441  2.0680  12.834  5.5283 8.7166  4.2909 4.117392       6.998148 
1 1 1 28 7  35 o 44.406  2.4172 16.382   1.6764  14.602   2.3384  18.264   2.4046  40.381  3.7363 45.692  3.3809 -5.311531      5.038874 
1 1 1 28 7  36 o 24.814  3.7495 5.5893   1.4131  5.5120   1.9907  5.6679   2.0062  22.738  5.6174 23.097  5.5989 -0.3583698     7.931143 
1 1 1 28 7  37 o 19.133  4.7946 3.6912   1.4352  3.5231   2.0946  3.8400   1.9705  17.316  6.1482 18.264  5.9745 -0.9481621     8.572940 
1 1 1 28 8  0  o 8.2009  5.3921 -0.0870  1.7550  -0.0870  1.7550  -0.0870  1.7550  8.2009  5.3921 8.2009  5.3921 0.000000       0.000000 
1 1 1 28 8  1  o 13.320  4.8536 1.5024   1.3152  3.2133   1.8013  -0.4514  1.9249  18.010  5.6962 11.049  5.0350 6.960718       7.602543 
1 1 1 28 8  2  o 16.809  4.8576 2.6635   1.3521  2.4821   1.9664  2.8263   1.8622  16.179  5.9287 16.982  5.8126 -0.8027306     8.302752 
1 1 1 28 8  3  o 19.392  4.4671 3.4582   1.3300  4.1717   1.9774  2.8687   1.7973  20.332  5.8741 17.105  5.7111 3.226915       8.192826 
1 1 1 28 8  4  o 16.838  4.8592 2.6747   1.3539  5.4698   2.2131  1.0030   1.7115  23.219  6.0273 12.799  5.2761 10.41968       8.010285 
1 1 1 28 8  5  o 11.157  4.5818 0.6625   1.2846  2.9126   1.9403  -1.0937  1.7141  17.164  5.9305 9.6709  4.5262 7.492654       7.460330 
1 1 1 28 8  6  o 25.568  3.5310 5.6456   1.3775  4.3304   1.9853  6.8668   1.9130  20.715  5.8541 27.404  4.6170 -6.689522      7.455687 
1 1 1 28 8  7  o 25.594  3.4332 5.6317   1.3428  6.4193   1.9314  4.8948   1.8682  26.266  4.8699 22.453  5.3783 3.812742       7.255499 
1 1 1 28 8  8  o 26.583  3.3840 6.0574   1.3782  5.1410   2.0113  6.8687   1.8924  22.777  5.6581 27.440  4.5592 -4.662491      7.266431 
1 1 1 28 8  9  o 17.225  5.1800 2.8618   1.5124  5.9657   2.0928  -0.5309  2.1881  24.694  5.5422 11.578  5.3108 13.11609       7.675971 
1 1 1 28 8  10 o 26.047  3.8400 5.9615   1.5209  4.6776   2.1037  7.3676   2.2015  21.351  6.0234 27.803  5.2433 -6.452204      7.985832 
1 1 1 28 8  11 o 12.680  4.9750 1.1970   1.4426  -0.4587  1.9289  3.2986   2.1731  11.007  5.0254 17.911  6.2712 -6.904119      8.036333 
1 1 1 28 8  12 o 34.652  2.9687 10.072   1.5971  10.534   2.1819  9.5381   2.3441  34.442  4.1231 32.118  4.8030 2.323513       6.329964 
1 1 1 28 8  13 o 29.788  3.4686 7.6400   1.5895  9.3962   2.1917  5.6916   2.3085  32.182  4.4644 23.405  6.1950 8.777546       7.635975 
1 1 1 28 8  14 f 9.3727  4.3853 -1.0239  1.6072  0.4898   2.4892  -2.1061  2.1047  13.350  5.9333 9.7901  4.7041 3.560365       7.571836 
1 1 1 28 8  15 o 31.009  3.4538 8.2764   1.6504  7.9510   2.6171  8.4913   2.1266  27.866  6.1553 30.423  4.6027 -2.557236      7.685878 
1 1 1 28 8  16 o 14.332  5.2503 1.8461   1.5419  0.0631   2.4159  3.0716   2.0029  12.677  5.7226 17.370  6.0240 -4.692845      8.308800 
1 1 1 28 8  17 o 18.774  5.1750 3.4427   1.5721  2.0531   2.4796  4.3768   2.0329  15.500  6.3654 20.566  5.9600 -5.066483      8.720085 
1 1 1 28 8  18 o 30.301  3.5726 7.9708   1.6644  10.247   2.5973  6.3845   2.1681  32.727  5.2393 25.362  5.6026 7.365078       7.670699 
1 1 1 28 8  19 o 15.576  5.2250 2.3319   1.5044  2.7017   2.3757  2.0843   1.9439  16.519  6.4111 15.106  5.8170 1.412906       8.656785 
1 1 1 28 8  20 o 29.657  3.5258 7.6342   1.6071  8.2607   2.5633  7.2284   2.0629  28.547  5.9217 27.639  4.9426 0.9084625      7.713365 
1 1 1 28 8  21 f 8.8093  4.1573 -1.1630  1.4996  -2.6884  2.2275  0.1015   2.0281  9.6055  4.6689 11.852  5.3053 -2.246559      7.067174 
1 1 1 28 8  22 o 20.423  4.5600 3.9176   1.4230  5.3655   2.0341  2.5296   1.9915  22.987  5.6779 15.990  5.9472 6.997463       8.222445 
1 1 1 28 8  23 o 9.9778  4.4473 -0.0713  1.4090  1.7093   2.0407  -1.6933  1.9477  14.341  5.8183 9.6244  4.5978 4.716213       7.415687 
1 1 1 28 8  24 o 11.560  4.7508 0.8190   1.3824  2.4530   1.9695  -0.7677  1.9408  15.738  5.9023 10.520  4.8876 5.218630       7.663267 
1 1 1 28 8  25 o 13.742  4.9709 1.7297   1.3759  1.7572   1.9350  1.7017   1.9569  14.248  5.7059 14.164  5.7147 0.8481216E-01  8.075582 
1 1 1 28 8  26 o 27.490  3.4047 6.5876   1.4359  5.9020   2.0189  7.2895   2.0426  24.186  5.4547 27.550  4.9094 -3.364424      7.338635 
1 1 1 28 8  27 o 45.750  2.3071 17.224   1.6493  16.892   2.2806  17.589   2.3881  44.211  3.3147 44.994  3.4110 -0.7836800     4.756309 
1 1 1 28 8  28 o 14.851  5.1691 2.1755   1.4754  1.6651   1.9270  2.8987   2.2936  13.904  5.6494 16.385  6.3161 -2.481112      8.473984 
1 1 1 28 8  29 o 27.650  3.5019 6.7567   1.4839  8.2022   2.1041  5.3264   2.0930  29.203  4.7600 22.196  5.9100 7.006676       7.588500 
1 1 1 28 8  30 o 8.9569  4.1326 -0.5279  1.3521  -1.7311  1.8367  0.8957   1.9979  9.1068  4.3805 12.565  5.4571 -3.458090      6.997740 
1 1 1 28 8  31 o 14.786  5.1188 2.2171   1.4459  3.3981   2.0155  0.9648   2.0755  17.300  6.0404 12.706  5.5397 4.594119       8.196047 
1 1 1 28 8  32 f 10.112  4.5515 -0.0066  1.5154  -1.8796  2.2065  1.6654   2.0847  9.8383  4.7497 13.717  5.7522 -3.879039      7.459725 
1 1 1 28 8  33 o 44.543  2.8130 16.969   1.9542  17.216   2.6359  16.666   2.9119  43.202  3.9350 41.494  4.5512 1.708591       6.016502 
1 1 1 28 9  0  o 24.551  6.0723 5.8738   2.0230  5.8738   2.0230  5.8738   2.0230  24.551  6.0723 24.551  6.0723 0.000000       0.000000 
1 1 1 28 9  1  o 35.625  2.9403 10.680   1.6274  11.174   2.2221  10.108   2.3901  35.368  4.0827 32.927  4.7691 2.440876       6.277966 
1 1 1 28 9  2  o 21.097  4.7787 4.2266   1.5438  2.2107   2.0758  6.7212   2.3092  15.401  5.9885 25.694  5.8624 -10.29351      8.380331 
1 1 1 28 9  3  o 21.079  4.5499 4.1534   1.4595  4.5625   2.0964  3.7686   2.0331  20.816  6.0581 18.914  6.0590 1.901518       8.568063 
1 1 1 28 9  4  o 13.138  4.9638 1.4544   1.3986  1.2188   1.9567  1.7006   1.9997  13.423  5.5964 14.349  5.7813 -0.9259033     8.046335 
1 1 1 28 9  5  o 23.829  4.1743 5.1515   1.5026  6.9737   2.1780  3.4964   2.0756  26.669  5.3948 18.199  6.1371 8.469957       8.171169 
1 1 1 28 9  6  o 21.187  4.4576 4.1723   1.4337  4.3197   2.0042  4.0179   2.0517  20.345  5.9240 19.493  6.0666 0.8519325      8.479233 
1 1 1 28 9  7  o 25.867  3.6805 5.8842   1.4504  5.0273   2.0440  6.7534   2.0585  22.102  5.8192 26.461  5.1475 -4.359583      7.769143 
1 1 1 28 9  8  o 13.295  4.9973 1.5159   1.4134  2.5513   2.0111  0.5053   1.9868  16.049  5.9750 12.315  5.3933 3.733696       8.049107 
1 1 1 28 9  9  o 27.995  3.4619 6.8023   1.4869  4.9782   2.1446  8.4910   2.0634  21.722  6.0655 30.407  4.4615 -8.685291      7.529631 
1 1 1 28 9  10 o 16.664  5.1174 2.7257   1.4654  3.6259   2.1075  1.8832   2.0390  18.421  6.1843 14.684  5.8655 3.736098       8.523451 
1 1 1 28 9  11 o 10.830  4.5916 0.4895   1.3521  0.8543   1.8931  0.1096   1.9317  12.655  5.4013 11.613  5.1895 1.041922       7.490376 
1 1 1 28 9  12 o 11.122  4.7046 0.5620   1.4143  1.3362   2.0240  -0.1766  1.9769  13.656  5.6925 11.329  5.1393 2.327176       7.669230 
1 1 1 28 9  13 o 11.258  4.7292 0.6368   1.4132  0.3777   2.0228  0.8838   1.9752  12.153  5.3774 12.819  5.4954 -0.6659412     7.688690 
1 1 1 28 9  14 o 19.612  4.6100 3.6525   1.3934  4.3802   1.9643  2.9156   1.9768  20.452  5.8383 16.770  5.9709 3.681553       8.350892 
1 1 1 28 9  15 o 17.061  5.1067 2.8848   1.4724  0.9756   2.1630  4.5334   2.0101  13.229  5.7118 20.726  5.9022 -7.496152      8.213438 
1 1 1 28 9  16 o 11.816  4.8321 0.9137   1.4214  0.2570   1.9893  1.5988   2.0317  11.871  5.2882 14.046  5.7645 -2.175612      7.822712 
1 1 1 28 9  17 o 14.128  5.0674 1.8727   1.4263  2.9438   2.0647  0.8949   1.9727  16.709  6.0824 12.757  5.4809 3.952474       8.187577 
1 1 1 28 9  18 o 11.523  4.7595 0.8163   1.3964  -2.0490  1.9373  3.9153   2.0147  9.2199  4.4510 19.011  6.0254 -9.791285      7.491135 
1 1 1 28 9  19 f 26.267  3.7187 6.1465   1.4885  8.0593   2.1449  4.3696   2.0674  28.946  4.9018 20.016  6.0646 8.929712       7.797902 
1 1 1 28 9  20 o 39.652  2.7403 13.215   1.6930  11.781   2.2844  14.961   2.5216  35.955  4.1276 40.710  4.0030 -4.754391      5.749813 
1 1 1 28 9  21 o 14.764  5.2429 2.1502   1.5232  1.8310   2.0929  2.5097   2.2212  14.333  5.8626 15.628  6.1598 -1.295495      8.503752 
1 1 1 28 9  22 o 16.677  5.2495 2.8579   1.5313  3.7496   2.0733  1.7874   2.2716  18.284  6.1338 14.346  6.0097 3.937458       8.587181 
1 1 1 28 9  23 o 18.984  5.0060 3.6355   1.5112  4.7883   2.0429  2.2426   2.2456  20.865  5.9531 15.025  6.1008 5.840656       8.524036 
1 1 1 28 9  24 o 32.399  3.2959 9.1824   1.6507  10.550   2.1096  7.0234   2.6510  33.888  4.0514 24.339  6.7247 9.548914       7.850822 
1 1 1 28 9  25 o 14.069  5.3313 1.9458   1.6162  4.3899   2.1245  -1.4125  2.4903  19.471  6.1891 10.867  5.1933 8.604330       8.079346 
1 1 1 28 9  26 o 16.291  5.7762 2.9438   1.8482  2.9906   2.1739  2.8218   3.5104  16.168  6.1695 15.867  7.0491 0.3010654      9.367625 
1 1 1 28 9  27 o 9.5634  4.5151 -0.9572  1.7724  -0.2343  2.1201  -2.6350  3.2299  11.127  5.1483 11.231  5.4945 -0.1036615     7.529537 
1 1 1 28 9  28 o 17.603  5.7243 3.5282   1.8099  1.9031   2.3658  5.8217   2.8105  14.092  6.0269 20.549  7.1353 -6.457262      9.340008 
1 1 1 28 9  29 o 9.3347  4.4504 -1.1828  1.8058  -3.6176  2.5076  1.4401   2.6027  9.2444  4.5826 13.522  6.0344 -4.277250      7.577192 
1 1 1 28 10 0  o 5.8148  4.1867 -3.0022  1.8896  -3.0022  1.8896  -3.0022  1.8896  5.8148  4.1867 5.8148  4.1867 0.000000       0.000000 
1 1 1 28 10 1  o 22.621  4.3312 4.7775   1.4800  6.9485   2.1275  2.7419   2.0601  26.358  5.3318 16.159  6.0411 10.19903       8.057503 
1 1 1 28 10 2  o 26.921  3.7694 6.4825   1.5471  4.8731   2.0158  8.7896   2.4135  21.392  5.8449 29.654  5.3902 -8.262695      7.950981 
1 1 1 28 10 3  o 14.856  5.1977 2.1681   1.4927  3.5238   2.0527  0.6467   2.1745  17.912  6.1029 12.645  5.5861 5.267275       8.273451 
1 1 1 28 10 4  o 11.343  4.7393 0.7384   1.4075  -0.2530  2.0381  1.6422   1.9461  11.232  5.1422 13.907  5.6668 -2.675034      7.652108 
1 1 1 28 10 5  o 9.3095  4.2695 -0.4603  1.4134  0.1686   2.0614  -1.0184  1.9417  11.794  5.3084 10.148  4.7710 1.645761       7.137292 
1 1 1 28 10 6  o 8.6653  4.0472 -0.8018  1.3589  -0.1062  1.8966  -1.5356  1.9480  11.083  5.0302 9.6573  4.6092 1.425982       6.822566 
1 1 1 28 10 7  o 26.274  3.7771 6.1946   1.5110  6.5661   2.1021  5.7974   2.1735  25.432  5.4372 23.266  5.9388 2.165298       8.051883 
1 1 1 28 10 8  o 20.967  4.5094 4.1921   1.4382  3.3268   2.0016  5.1156   2.0678  17.430  6.0233 21.802  5.9044 -4.372284      8.434616 
1 1 1 28 10 9  o 17.992  4.9283 3.2286   1.4310  4.1912   2.0629  2.3358   1.9868  19.423  6.0894 15.220  5.8752 4.203465       8.461637 
1 1 1 28 10 10 o 12.421  4.9010 1.2538   1.4075  0.7737   2.0210  1.7059   1.9613  12.494  5.4564 13.957  5.6883 -1.462878      7.882160 
1 1 1 28 10 11 o 9.3090  4.2448 -0.3415  1.3708  -1.0795  1.9424  0.3909   1.9349  10.037  4.7351 11.772  5.2316 -1.735150      7.056211 
1 1 1 28 10 12 o 10.941  4.6623 0.5722   1.4064  2.8269   2.0025  -1.6224  1.9757  16.179  5.9743 9.5981  4.5974 6.580655       7.538464 
1 1 1 28 10 13 f 8.7540  4.1049 -0.8609  1.4215  -0.0825  2.0245  -1.6178  1.9964  11.297  5.1542 9.6419  4.6192 1.655413       6.921169 
1 1 1 28 10 14 o 8.3566  3.9971 -1.3798  1.4817  -3.2043  2.2242  0.0761   1.9868  9.0328  4.4472 11.393  5.1620 -2.360638      6.813553 
1 1 1 28 10 15 o 27.097  3.6083 6.5765   1.4947  6.4558   2.0980  6.7009   2.1299  24.865  5.5258 25.365  5.5136 -0.5000191     7.806032 
1 1 1 28 10 16 o 19.781  4.7006 3.8670   1.4361  3.4428   2.0298  4.2922   2.0322  17.373  6.0621 19.437  6.0359 -2.064178      8.554566 
1 1 1 28 10 17 o 26.509  3.6448 6.3378   1.4746  7.5300   2.0753  5.1222   2.0957  27.451  5.0069 21.322  6.0108 6.129581       7.822990 
1 1 1 28 10 18 o 6.6883  3.3519 -3.5751  1.5061  -3.9616  2.0534  -3.1251  2.2156  8.0864  4.0312 8.9876  4.4276 -0.9011736     5.987842 
1 1 1 28 10 19 o 24.011  4.5272 5.6077   1.6416  7.8177   2.1992  2.8272   2.4668  27.506  5.2924 15.686  6.3847 11.81939       8.293058 
1 1 1 28 10 20 o 19.788  5.1933 4.1314   1.6313  3.7127   2.1771  4.6675   2.4635  17.494  6.2621 19.054  6.6767 -1.560358      9.153763 
1 1 1 28 10 21 o 13.421  5.3164 1.7517   1.6622  2.6158   2.2781  0.7681   2.4307  15.179  6.1513 12.647  5.7218 2.531192       8.401005 
1 1 1 28 10 22 o 8.9966  4.2922 -1.2051  1.6858  -0.7945  2.4015  -1.6040  2.3670  10.971  5.2021 10.245  4.9392 0.7257004      7.173418 
1 1 1 28 10 23 o 10.924  4.8365 0.4676   1.6387  -2.0667  2.2785  3.1830   2.3585  9.6736  4.7067 15.934  6.3261 -6.260762      7.884937 
1 1 1 28 11 0  o 7.4338  5.1754 -1.4505  2.1581  -1.4505  2.1581  -1.4505  2.1581  7.4338  5.1754 7.4338  5.1754 0.000000       0.000000 
1 1 1 28 11 1  o 10.085  4.4804 0.1622   1.4183  1.8594   2.0338  -1.4445  1.9788  13.920  5.7463 9.6111  4.6030 4.308937       7.362519 
1 1 1 28 11 2  o 8.9757  4.2180 -0.8314  1.5148  -0.7809  2.0490  -0.8922  2.2495  10.396  4.8918 10.711  5.0661 -0.3154573     7.042405 
1 1 1 28 11 3  o 9.4389  4.3209 -0.2946  1.4385  1.6288   2.0571  -2.1352  2.0124  13.533  5.6965 9.1221  4.4348 4.411099       7.219237 
1 1 1 28 11 4  o 9.1871  4.2371 -0.4325  1.4192  -0.9586  1.9182  0.2037   2.1094  9.9086  4.6839 11.582  5.2750 -1.672923      7.054433 
1 1 1 28 11 5  o 9.8609  4.3970 0.0982   1.3788  -1.9639  1.8905  2.4416   2.0154  8.9300  4.3315 14.961  5.8768 -6.030721      7.300609 
1 1 1 28 11 6  o 14.070  5.1813 2.0279   1.5045  -0.6644  2.1817  4.4689   2.0774  10.759  5.0578 19.430  6.1139 -8.671570      7.934815 
1 1 1 28 11 7  o 33.898  2.9955 9.9780   1.5755  9.1987   2.2470  10.731   2.2095  30.271  4.9027 33.535  4.3021 -3.264416      6.522606 
1 1 1 28 11 8  f 9.9942  4.5315 -0.0576  1.5344  -1.1155  2.2266  0.8990   2.1173  10.406  4.9557 12.422  5.4986 -2.015765      7.402290 
1 1 1 28 11 9  o 13.471  5.2345 1.7979   1.5852  1.2124   2.0682  2.6319   2.4682  12.784  5.5522 15.163  6.3004 -2.378682      8.397768 
1 1 1 28 11 10 o 13.450  5.2931 1.7919   1.6376  2.4217   2.2334  1.0595   2.4084  14.779  6.0520 12.914  5.7808 1.865292       8.369290 
1 1 1 28 11 11 o 12.969  5.3103 1.5494   1.7193  1.8199   2.1974  1.1223   2.7608  13.746  5.8420 13.285  6.0446 0.4617033      8.406303 
1 1 1 28 11 12 o 15.812  5.7455 2.8973   1.8411  3.3985   2.4498  2.2467   2.7909  16.289  6.4535 14.532  6.3774 1.756717       9.073008 
1 1 1 28 11 13 o 8.5632  4.1608 -1.8845  1.7648  -1.0495  2.3836  -2.8974  2.6253  10.652  5.0878 9.8336  4.8396 0.8179359      7.021924 
1 1 1 28 11 14 o 10.784  4.9104 0.1441   1.8259  3.7068   2.4182  -4.5811  2.7850  16.728  6.4750 9.2550  4.6263 7.473358       7.957878 
1 1 1 28 11 15 o 12.633  5.4869 1.2985   2.0198  1.1676   2.3758  1.6399   3.8362  12.786  5.7314 14.143  6.6668 -1.357183      8.791729 
1 1 1 29 0  0  o 52.836  3.8291 22.360   3.1333  22.360   3.1333  22.360   3.1333  52.836  3.8291 52.836  3.8291 0.000000       0.000000 
1 1 1 29 0  1  o 10.123  5.9929 0.9552   1.6426  0.9552   1.6426  0.9552   1.6426  10.123  5.9929 10.123  5.9929 0.000000       0.000000 
1 1 1 29 0  2  o 7.8279  5.1744 -0.3268  1.6509  -0.3268  1.6509  -0.3268  1.6509  7.8279  5.1744 7.8279  5.1744 0.000000       0.000000 
1 1 1 29 0  3  o 19.092  6.7172 3.8416   1.8243  3.8416   1.8243  3.8416   1.8243  19.092  6.7172 19.092  6.7172 0.000000       0.000000 
1 1 1 29 0  4  o 47.302  2.7227 17.824   2.0037  17.824   2.0037  17.824   2.0037  47.302  2.7227 47.302  2.7227 0.000000       0.000000 
1 1 1 29 0  5  o 55.471  2.5697 24.412   2.2237  24.412   2.2237  24.412   2.2237  55.471  2.5697 55.471  2.5697 0.000000       0.000000 
1 1 1 29 0  6  o 49.729  2.7220 19.683   2.1075  19.683   2.1075  19.683   2.1075  49.729  2.7220 49.729  2.7220 0.000000       0.000000 
1 1 1 29 0  7  o 30.787  3.9718 7.8884   1.8292  7.8884   1.8292  7.8884   1.8292  30.787  3.9718 30.787  3.9718 0.000000       0.000000 
1 1 1 29 0  8  o 29.926  4.0180 7.4828   1.7895  7.4828   1.7895  7.4828   1.7895  29.926  4.0180 29.926  4.0180 0.000000       0.000000 
1 1 1 29 0  9  o 11.316  6.2452 1.4552   1.6131  1.4552   1.6131  1.4552   1.6131  11.316  6.2452 11.316  6.2452 0.000000       0.000000 
1 1 1 29 0  10 o 9.2061  5.6957 0.5401   1.6268  0.5401   1.6268  0.5401   1.6268  9.2061  5.6957 9.2061  5.6957 0.000000       0.000000 
1 1 1 29 0  11 o 12.522  6.4198 1.8740   1.6000  1.8740   1.6000  1.8740   1.6000  12.522  6.4198 12.522  6.4198 0.000000       0.000000 
1 1 1 29 0  12 o 8.6432  5.5137 0.1979   1.6567  0.1979   1.6567  0.1979   1.6567  8.6432  5.5137 8.6432  5.5137 0.000000       0.000000 
1 1 1 29 0  13 o 20.622  6.0099 4.1684   1.6869  4.1684   1.6869  4.1684   1.6869  20.622  6.0099 20.622  6.0099 0.000000       0.000000 
1 1 1 29 0  14 o 9.5674  5.8663 0.6645   1.6902  0.6645   1.6902  0.6645   1.6902  9.5674  5.8663 9.5674  5.8663 0.000000       0.000000 
1 1 1 29 0  15 o 6.9447  4.7563 -1.0150  1.6485  -1.0150  1.6485  -1.0150  1.6485  6.9447  4.7563 6.9447  4.7563 0.000000       0.000000 
1 1 1 29 0  16 o 91.897  2.4041 66.732   3.4581  66.732   3.4581  66.732   3.4581  91.897  2.4041 91.897  2.4041 0.000000       0.000000 
1 1 1 29 0  17 o 32.663  3.8396 8.8274   1.8949  8.8274   1.8949  8.8274   1.8949  32.663  3.8396 32.663  3.8396 0.000000       0.000000 
1 1 1 29 0  18 o 14.328  7.0226 2.4906   1.8721  2.4906   1.8721  2.4906   1.8721  14.328  7.0226 14.328  7.0226 0.000000       0.000000 
1 1 1 29 0  19 o 27.061  5.0289 6.4346   1.9170  6.4346   1.9170  6.4346   1.9170  27.061  5.0289 27.061  5.0289 0.000000       0.000000 
1 1 1 29 0  20 o 43.935  3.1828 15.544   2.1657  15.544   2.1657  15.544   2.1657  43.935  3.1828 43.935  3.1828 0.000000       0.000000 
1 1 1 29 0  21 o 66.666  2.5530 35.265   2.6593  35.265   2.6593  35.265   2.6593  66.666  2.5530 66.666  2.5530 0.000000       0.000000 
1 1 1 29 0  22 o 38.613  3.5404 12.157   2.1017  12.157   2.1017  12.157   2.1017  38.613  3.5404 38.613  3.5404 0.000000       0.000000 
1 1 1 29 0  23 o 13.521  7.1682 2.2342   2.0430  2.2342   2.0430  2.2342   2.0430  13.521  7.1682 13.521  7.1682 0.000000       0.000000 
1 1 1 29 0  24 o 46.750  3.4064 17.666   2.4660  17.666   2.4660  17.666   2.4660  46.750  3.4064 46.750  3.4064 0.000000       0.000000 
1 1 1 29 0  25 o 26.706  5.4718 6.4295   2.0248  6.4295   2.0248  6.4295   2.0248  26.706  5.4718 26.706  5.4718 0.000000       0.000000 
1 1 1 29 0  26 o 14.078  6.9729 2.4457   1.8537  2.4457   1.8537  2.4457   1.8537  14.078  6.9729 14.078  6.9729 0.000000       0.000000 
1 1 1 29 0  27 o 8.0378  5.3568 -0.4374  1.8302  -0.4374  1.8302  -0.4374  1.8302  8.0378  5.3568 8.0378  5.3568 0.000000       0.000000 
1 1 1 29 0  28 o 11.873  6.6741 1.6489   1.8826  1.6489   1.8826  1.6489   1.8826  11.873  6.6741 11.873  6.6741 0.000000       0.000000 
1 1 1 29 0  29 o 62.912  2.6880 31.567   2.6400  31.567   2.6400  31.567   2.6400  62.912  2.6880 62.912  2.6880 0.000000       0.000000 
1 1 1 29 0  30 o 46.025  2.9490 17.057   2.1077  17.057   2.1077  17.057   2.1077  46.025  2.9490 46.025  2.9490 0.000000       0.000000 
1 1 1 29 0  31 o 14.614  7.2009 2.6919   1.9727  2.6919   1.9727  2.6919   1.9727  14.614  7.2009 14.614  7.2009 0.000000       0.000000 
1 1 1 29 0  32 o 50.821  3.0630 20.828   2.4200  20.828   2.4200  20.828   2.4200  50.821  3.0630 50.821  3.0630 0.000000       0.000000 
1 1 1 29 0  33 o 22.965  7.0117 5.4564   2.2053  5.4564   2.2053  5.4564   2.2053  22.965  7.0117 22.965  7.0117 0.000000       0.000000 
1 1 1 29 0  34 f 9.7213  6.3452 0.0925   2.3658  0.0925   2.3658  0.0925   2.3658  9.7213  6.3452 9.7213  6.3452 0.000000       0.000000 
1 1 1 29 0  35 o 16.707  7.2322 3.3970   1.9533  3.3970   1.9533  3.3970   1.9533  16.707  7.2322 16.707  7.2322 0.000000       0.000000 
1 1 1 29 0  36 o 6.6904  4.7029 -1.8764  1.9091  -1.8764  1.9091  -1.8764  1.9091  6.6904  4.7029 6.6904  4.7029 0.000000       0.000000 
1 1 1 29 0  37 o 9.4932  5.8904 0.7000   1.7529  0.7000   1.7529  0.7000   1.7529  9.4932  5.8904 9.4932  5.8904 0.000000       0.000000 
1 1 1 29 0  38 o 5.8870  4.1936 -2.2266  1.6989  -2.2266  1.6989  -2.2266  1.6989  5.8870  4.1936 5.8870  4.1936 0.000000       0.000000 
1 1 1 29 0  39 o 10.672  6.1729 1.3243   1.6766  1.3243   1.6766  1.3243   1.6766  10.672  6.1729 10.672  6.1729 0.000000       0.000000 
1 1 1 29 0  40 o 30.463  4.1368 7.9666   1.8727  7.9666   1.8727  7.9666   1.8727  30.463  4.1368 30.463  4.1368 0.000000       0.000000 
1 1 1 29 0  41 o 9.5973  5.8631 0.8521   1.6745  0.8521   1.6745  0.8521   1.6745  9.5973  5.8631 9.5973  5.8631 0.000000       0.000000 
1 1 1 29 0  42 o 7.9580  5.2441 -0.0997  1.6745  -0.0997  1.6745  -0.0997  1.6745  7.9580  5.2441 7.9580  5.2441 0.000000       0.000000 
1 1 1 29 0  43 o 16.564  6.7727 3.2864   1.7325  3.2864   1.7325  3.2864   1.7325  16.564  6.7727 16.564  6.7727 0.000000       0.000000 
1 1 1 29 0  44 o 17.611  6.7102 3.5942   1.7441  3.5942   1.7441  3.5942   1.7441  17.611  6.7102 17.611  6.7102 0.000000       0.000000 
1 1 1 29 0  45 o 12.821  6.8685 2.2020   1.8935  2.2020   1.8935  2.2020   1.8935  12.821  6.8685 12.821  6.8685 0.000000       0.000000 
1 1 1 29 0  46 o 40.049  3.4118 13.321   2.1063  13.321   2.1063  13.321   2.1063  40.049  3.4118 40.049  3.4118 0.000000       0.000000 
1 1 1 29 0  47 o 6.3568  4.5232 -2.3322  1.9555  -2.3322  1.9555  -2.3322  1.9555  6.3568  4.5232 6.3568  4.5232 0.000000       0.000000 
1 1 1 29 0  48 o 51.191  2.8489 21.355   2.2701  21.355   2.2701  21.355   2.2701  51.191  2.8489 51.191  2.8489 0.000000       0.000000 
1 1 1 29 0  49 o 6.6680  4.6644 -1.4319  1.8117  -1.4319  1.8117  -1.4319  1.8117  6.6680  4.6644 6.6680  4.6644 0.000000       0.000000 
1 1 1 29 0  50 o 7.5044  5.1327 -0.7328  1.9056  -0.7328  1.9056  -0.7328  1.9056  7.5044  5.1327 7.5044  5.1327 0.000000       0.000000 
1 1 1 29 1  0  o 12.230  6.9048 1.6712   2.0269  1.6712   2.0269  1.6712   2.0269  12.230  6.9048 12.230  6.9048 0.000000       0.000000 
1 1 1 29 1  1  o 14.532  4.6573 1.7306   1.2011  2.6367   1.7319  0.8909   1.6671  17.627  5.5866 13.271  5.3027 4.355570       7.702493 
1 1 1 29 1  2  o 14.623  4.6550 1.7586   1.2015  1.2356   1.7148  2.2629   1.6839  14.126  5.4567 16.583  5.5278 -2.457572      7.767352 
1 1 1 29 1  3  o 18.484  4.3961 2.9177   1.2553  2.9767   1.7350  2.8528   1.8185  18.558  5.5407 18.247  5.7168 0.3110065      7.961232 
1 1 1 29 1  4  o 11.823  4.5481 0.8307   1.1874  -0.5414  1.6579  2.2759   1.7015  10.707  4.7943 16.630  5.5568 -5.923291      7.339159 
1 1 1 29 1  5  f 25.900  3.1722 5.4710   1.2611  5.2482   1.7770  5.6970   1.7900  24.798  4.7439 25.931  4.5704 -1.133209      6.587288 
1 1 1 29 1  6  o 51.525  1.8519 20.999   1.4958  23.197   2.1760  19.030   2.0597  53.927  2.5739 48.729  2.7069 5.198223       3.735283 
1 1 1 29 1  7  o 18.455  4.3581 2.9096   1.2407  0.8953   1.7301  5.0421   1.7802  13.425  5.3886 24.240  4.8539 -10.81512      7.252430 
1 1 1 29 1  8  o 36.591  2.4180 10.705   1.3792  12.200   2.0334  9.4318   1.8770  38.722  3.3837 33.935  3.5825 4.786819       4.927839 
1 1 1 29 1  9  o 33.396  2.5416 8.9453   1.3206  6.9448   1.8376  11.082   1.8993  28.825  4.1893 36.913  3.3175 -8.087931      5.343785 
1 1 1 29 1  10 o 15.925  4.5617 2.1599   1.1972  2.5246   1.6915  1.7938   1.6945  17.251  5.5268 15.352  5.5215 1.899603       7.812332 
1 1 1 29 1  11 o 14.115  4.6624 1.6114   1.1989  1.5425   1.7417  1.6735   1.6529  14.825  5.5523 14.980  5.4438 -0.1548824     7.775791 
1 1 1 29 1  12 o 32.728  2.6109 8.6107   1.3284  9.8499   1.9024  7.4316   1.8557  34.667  3.5507 29.856  4.0709 4.810801       5.401826 
1 1 1 29 1  13 o 18.756  4.2793 3.0090   1.2304  3.0474   1.7800  2.9740   1.7027  18.676  5.6205 18.465  5.4834 0.2107601      7.852229 
1 1 1 29 1  14 o 46.603  2.0412 17.234   1.4912  18.759   2.1313  15.771   2.0872  48.273  2.8287 44.161  3.0333 4.112480       4.147585 
1 1 1 29 1  15 o 18.032  4.3890 2.7971   1.2290  2.1743   1.7492  3.4043   1.7270  16.316  5.6313 19.646  5.4277 -3.329802      7.821175 
1 1 1 29 1  16 o 50.279  1.9391 20.046   1.5284  18.297   2.0900  22.057   2.2408  47.658  2.8098 52.375  2.7387 -4.716831      3.923691 
1 1 1 29 1  17 o 34.751  2.5114 9.7023   1.3590  8.5886   1.9197  10.821   1.9241  32.140  3.8891 36.346  3.4169 -4.205700      5.176945 
1 1 1 29 1  18 o 25.382  3.2193 5.2935   1.2522  6.4799   1.8069  4.1973   1.7368  27.663  4.3067 21.824  5.1582 5.838789       6.719695 
1 1 1 29 1  19 o 24.818  3.2777 5.0767   1.2440  5.3815   1.7884  4.7910   1.7316  24.946  4.7467 23.451  4.8694 1.494873       6.800142 
1 1 1 29 1  20 o 37.419  2.4634 11.249   1.4370  10.533   2.0956  11.883   1.9742  35.609  3.8132 38.086  3.3403 -2.476643      5.069358 
1 1 1 29 1  21 o 37.997  2.4279 11.596   1.4387  11.932   1.9705  11.213   2.1054  38.149  3.3281 36.785  3.7014 1.364883       4.977602 
1 1 1 29 1  22 o 14.369  4.7226 1.7190   1.2307  0.3376   1.7358  3.1153   1.7451  12.214  5.1915 18.666  5.5532 -6.452091      7.601954 
1 1 1 29 1  23 o 26.985  3.1620 5.9927   1.3123  5.4975   1.8717  6.4715   1.8404  25.014  4.9484 27.471  4.4238 -2.457077      6.637492 
1 1 1 29 1  24 o 12.523  4.7123 1.0853   1.2575  1.8878   1.7623  0.2528   1.7949  15.422  5.6185 12.195  5.2335 3.227419       7.678370 
1 1 1 29 1  25 o 14.422  4.7696 1.7474   1.2546  2.9190   1.7940  0.6261   1.7551  18.025  5.6830 12.717  5.3010 5.307584       7.771556 
1 1 1 29 1  26 o 26.575  3.5683 5.9145   1.4490  5.3670   2.1349  6.3822   1.9731  24.160  5.7244 26.941  4.8503 -2.780416      7.502894 
1 1 1 29 1  27 o 26.556  3.8621 5.9804   1.5607  5.6358   2.2227  6.3156   2.1920  24.644  5.8422 26.362  5.4825 -1.718355      8.011871 
1 1 1 29 1  28 o 20.514  4.8445 3.7697   1.5330  3.4794   2.1252  4.0847   2.2135  19.281  6.1968 20.722  6.2746 -1.441124      8.818748 
1 1 1 29 1  29 o 34.477  3.4369 9.9116   1.8329  11.305   2.5907  8.5156   2.5935  35.947  4.7105 30.471  5.6368 5.475985       7.345952 
1 1 1 29 1  30 o 13.025  5.0514 1.1585   1.4741  4.8426   2.0848  -2.5246  2.0845  22.639  5.8368 9.6768  4.6577 12.96247       7.467401 
1 1 1 29 1  31 o 42.994  2.8544 15.141   1.9130  15.648   2.5329  14.468   2.9186  43.016  3.7950 40.613  4.6690 2.402809       6.016759 
1 1 1 29 1  32 o 37.462  2.9188 11.547   1.7006  12.287   2.5421  10.948   2.2880  37.567  4.3999 35.613  4.1775 1.953270       6.067176 
1 1 1 29 1  33 o 10.762  4.7594 -0.1109  1.5826  0.0618   2.2567  -0.2779  2.2199  12.797  5.6702 12.274  5.5181 0.5231972      7.912088 
1 1 1 29 1  34 o 30.716  3.1230 7.8608   1.4829  8.2851   2.1532  7.4780   2.0452  30.513  4.6483 28.954  4.6641 1.558125       6.584888 
1 1 1 29 1  35 o 15.061  5.1646 2.0092   1.4702  1.7857   2.0977  2.2249   2.0610  15.179  5.9851 16.021  6.0321 -0.8419485     8.497474 
1 1 1 29 1  36 o 31.110  3.3017 8.1418   1.5856  7.3279   2.2874  8.8948   2.2000  27.988  5.4091 31.600  4.5740 -3.612368      7.083787 
1 1 1 29 1  37 o 26.352  3.5241 5.9264   1.4194  6.9902   2.1144  5.0538   1.9150  27.536  5.0855 23.098  5.3876 4.438307       7.408646 
1 1 1 29 1  38 o 37.085  2.5281 11.248   1.4610  11.956   2.2713  10.748   1.9081  37.159  3.9601 35.613  3.4615 1.545784       5.259696 
1 1 1 29 1  39 o 18.545  4.5027 3.1399   1.2959  1.5429   1.8803  4.5846   1.7885  14.276  5.6546 21.994  5.2582 -7.718665      7.721598 
1 1 1 29 1  40 o 15.788  4.8372 2.3027   1.3102  -1.3700  1.8824  5.7535   1.8247  9.9499  4.6840 25.019  4.8273 -15.06881      6.726304 
1 1 1 29 1  41 o 15.521  4.8332 2.2262   1.3020  1.4230   1.9410  2.8834   1.7556  14.061  5.6851 17.258  5.6391 -3.196686      8.007431 
1 1 1 29 1  42 o 8.3701  3.9249 -0.9999  1.2996  0.3589   1.7928  -2.5042  1.8864  11.882  5.1649 8.8909  4.3158 2.990783       6.730719 
1 1 1 29 1  43 o 22.755  3.9922 4.5995   1.3722  5.6292   1.8527  3.3484   2.0423  24.459  5.0005 18.159  6.0878 6.300352       7.878235 
1 1 1 29 1  44 o 11.317  4.6997 0.6537   1.3720  1.5019   1.9011  -0.2684  1.9822  13.993  5.6373 11.366  5.1523 2.626531       7.637095 
1 1 1 29 1  45 o 13.913  4.9886 1.7384   1.3822  1.3452   1.9366  2.1466   1.9734  13.674  5.6217 15.270  5.8658 -1.596472      8.124732 
1 1 1 29 1  46 o 17.559  4.9882 3.0055   1.4376  1.6660   2.1408  4.1055   1.9400  14.401  5.9145 19.867  5.8409 -5.466334      8.312469 
1 1 1 29 1  47 o 28.729  3.2394 7.1094   1.4335  8.1430   1.9851  5.9831   2.0722  29.721  4.3930 24.309  5.5586 5.411797       7.084929 
1 1 1 29 1  48 o 18.607  4.6657 3.3529   1.3585  4.8246   1.9387  1.9333   1.9042  21.465  5.6750 14.447  5.7005 7.017753       8.043743 
1 1 1 29 2  0  o 25.518  5.9160 6.0131   2.0588  6.0131   2.0588  6.0131   2.0588  25.518  5.9160 25.518  5.9160 0.000000       0.000000 
1 1 1 29 2  1  o 27.173  3.1868 6.0407   1.3317  8.8660   2.0501  3.9783   1.7516  32.585  4.1045 21.245  5.2818 11.33996       6.689115 
1 1 1 29 2  2  o 41.368  2.2639 13.664   1.4626  12.815   2.1322  14.419   2.0100  39.572  3.4722 42.185  3.0602 -2.613163      4.628307 
1 1 1 29 2  3  o 10.319  4.3763 0.1604   1.2288  -0.8287  1.7830  1.0551   1.6958  10.679  4.8584 13.595  5.3747 -2.916620      7.245094 
1 1 1 29 2  4  o 44.979  2.0692 16.069   1.4590  16.855   2.0924  15.324   2.0355  45.678  2.9377 43.517  3.0021 2.161255       4.200314 
1 1 1 29 2  5  o 16.116  4.7661 2.2282   1.2884  3.1287   1.8288  1.3408   1.8153  18.843  5.7027 14.455  5.6059 4.387462       7.996711 
1 1 1 29 2  6  o 28.082  3.0463 6.4290   1.3196  7.5627   1.8838  5.3368   1.8490  30.043  4.1074 24.805  4.9287 5.238295       6.415858 
1 1 1 29 2  7  o 41.557  2.2461 13.792   1.4579  14.782   2.1078  12.883   2.0186  42.643  3.1757 39.752  3.2680 2.890530       4.556891 
1 1 1 29 2  8  o 65.848  1.7180 34.309   1.7735  31.922   2.4672  36.860   2.5511  63.191  2.4906 67.953  2.3948 -4.762043      3.455107 
1 1 1 29 2  9  o 7.4817  3.5884 -1.6150  1.2124  -3.0282  1.7529  -0.3191  1.6786  8.3248  4.0674 11.027  4.8878 -2.701758      6.358779 
1 1 1 29 2  10 o 35.447  2.5280 10.103   1.3956  11.218   1.9739  8.9889   1.9733  36.975  3.4450 32.854  3.9081 4.121136       5.209754 
1 1 1 29 2  11 o 34.861  2.4783 9.7666   1.3456  9.6578   1.9756  9.8607   1.8378  34.132  3.7542 34.646  3.4287 -0.5141373     5.084259 
1 1 1 29 2  12 o 20.339  4.0326 3.5239   1.2404  2.9203   1.7286  4.1646   1.7809  18.193  5.5529 21.650  5.2919 -3.457321      7.670664 
1 1 1 29 2  13 o 26.421  3.2062 5.7388   1.3008  6.1828   1.8775  5.3290   1.8039  26.806  4.6356 24.757  4.8212 2.048639       6.688296 
1 1 1 29 2  14 f 37.635  2.3777 11.365   1.3956  10.915   1.9981  11.795   1.9502  36.369  3.5498 37.938  3.3124 -1.568836      4.855155 
1 1 1 29 2  15 o 59.974  1.7852 28.516   1.6784  27.218   2.3663  29.831   2.3810  58.228  2.5923 61.016  2.4892 -2.787563      3.593909 
1 1 1 29 2  16 o 10.306  4.3874 0.1570   1.2432  -0.6649  1.7321  1.0304   1.7855  10.649  4.8228 13.633  5.4735 -2.984036      7.295085 
1 1 1 29 2  17 o 41.268  2.2691 13.646   1.4624  17.342   2.1691  10.566   1.9800  46.168  3.0135 35.710  3.5852 10.45777       4.683503 
1 1 1 29 2  18 o 17.188  4.5835 2.5906   1.2577  4.1363   1.8432  1.2439   1.7204  21.377  5.4757 13.899  5.4386 7.478149       7.717634 
1 1 1 29 2  19 o 9.0834  4.1327 -0.6165  1.2902  -0.0717  1.9041  -1.0791  1.7544  11.982  5.2628 10.158  4.6940 1.824118       7.052011 
1 1 1 29 2  20 o 9.8674  4.2881 -0.0296  1.2351  1.1535   1.7945  -1.0944  1.7024  13.819  5.5081 9.9496  4.6069 3.869094       7.180684 
1 1 1 29 2  21 o 26.033  3.8653 5.7410   1.5296  6.2612   2.0464  5.0825   2.3025  26.524  5.1069 23.226  6.2055 3.297762       8.036726 
1 1 1 29 2  22 f 55.886  2.0579 24.928   1.8029  22.438   2.5028  27.614   2.5994  52.375  3.0616 58.346  2.8419 -5.971195      4.177257 
1 1 1 29 2  23 o 14.255  5.0309 1.6599   1.4005  4.4372   2.0408  -0.8120  1.9253  21.782  5.8519 10.964  5.0114 10.81805       7.704470 
1 1 1 29 2  24 f 23.258  4.4372 4.7396   1.5588  6.9094   2.3449  3.0217   2.0865  27.396  5.6478 18.150  6.1531 9.245644       8.352118 
1 1 1 29 2  25 o 54.502  2.0512 23.750   1.7525  24.997   2.5043  22.554   2.4534  55.308  2.8984 52.457  2.9958 2.851360       4.168414 
1 1 1 29 2  26 o 42.869  2.3716 14.845   1.5876  13.975   2.3662  15.557   2.1411  40.702  3.7505 43.391  3.1697 -2.688477      4.910522 
1 1 1 29 2  27 o 24.677  3.4477 5.1392   1.2973  6.2050   1.9265  4.2548   1.7549  26.320  4.8478 21.462  5.2574 4.857504       7.151350 
1 1 1 29 2  28 o 46.702  2.0293 17.465   1.4857  17.153   2.1484  17.751   2.0569  45.615  3.0215 46.543  2.8325 -0.9285431     4.141501 
1 1 1 29 2  29 o 11.565  4.5988 0.7971   1.2481  1.8508   1.8138  -0.1507  1.7202  15.041  5.6597 11.109  4.9351 3.931948       7.509113 
1 1 1 29 2  30 o 10.803  4.4481 0.5215   1.2147  0.2994   1.7579  0.7244   1.6803  11.894  5.1423 12.447  5.1875 -0.5532494     7.304318 
1 1 1 29 2  31 o 39.437  2.2784 12.590   1.4026  12.154   2.0570  12.970   1.9175  37.945  3.4973 39.489  3.1229 -1.544117      4.688704 
1 1 1 29 2  32 o 37.350  2.4740 11.371   1.4404  12.870   2.0771  9.9819   1.9991  39.080  3.4250 34.112  3.8030 4.968090       5.117928 
1 1 1 29 2  33 o 18.611  5.0352 3.2390   1.5047  5.8313   2.4377  1.6435   1.9125  24.041  6.3672 14.580  5.7256 9.461400       8.562934 
1 1 1 29 2  34 o 22.759  4.1783 4.5937   1.4358  6.2679   2.0963  3.1142   1.9707  25.781  5.3614 17.888  5.9802 7.893482       8.031719 
1 1 1 29 2  35 o 15.820  5.1931 2.3169   1.4883  3.9544   2.0404  0.4552   2.1755  19.903  6.0238 12.962  5.6610 6.940539       8.266382 
1 1 1 29 2  36 o 22.956  4.4878 4.7696   1.5571  7.0211   2.4886  3.3211   1.9961  26.568  6.1035 18.310  6.0144 8.257906       8.568904 
1 1 1 29 2  37 o 28.375  3.6754 6.9484   1.5965  6.5216   2.3898  7.2924   2.1455  25.566  6.0559 27.991  5.0765 -2.424595      7.902215 
1 1 1 29 2  38 o 13.411  5.2479 1.3657   1.6019  -0.7280  2.3661  3.1374   2.1766  11.858  5.4695 17.733  6.2704 -5.874753      8.320705 
1 1 1 29 2  39 o 16.031  5.3127 2.4344   1.5563  1.5261   2.1774  3.3830   2.2252  14.508  5.9624 18.207  6.3475 -3.698767      8.708671 
1 1 1 29 2  40 o 10.150  4.4972 -0.0573  1.4196  -0.8481  1.8941  0.9564   2.1443  10.472  4.8524 13.478  5.7504 -3.006032      7.524179 
1 1 1 29 2  41 f 23.135  4.6714 4.9716   1.6359  5.7622   2.2606  4.1023   2.3704  23.698  6.0608 19.537  6.5585 4.161064       8.930174 
1 1 1 29 2  42 o 24.599  4.3275 5.5113   1.6079  6.3101   2.3221  4.7755   2.2286  24.766  6.0359 21.199  6.2682 3.567459       8.701828 
1 1 1 29 2  43 f 28.353  3.4684 6.9745   1.5095  8.3024   2.1971  5.7873   2.0774  29.654  4.8972 23.983  5.6232 5.671415       7.456738 
1 1 1 29 2  44 o 20.619  4.4774 3.9898   1.4058  4.6870   2.0810  3.4045   1.9065  20.991  6.0147 17.995  5.8763 2.995644       8.408774 
1 1 1 29 2  45 o 11.044  4.6446 0.6209   1.3656  0.0901   2.0264  1.0626   1.8483  11.673  5.2579 12.798  5.3939 -1.124077      7.532592 
1 1 1 29 2  46 o 12.143  4.7463 1.1900   1.3092  1.2877   1.8723  1.0965   1.8314  13.121  5.4727 12.729  5.3673 0.3921776      7.665440 
1 1 1 29 3  0  o 12.634  6.6433 1.9420   1.7441  1.9420   1.7441  1.9420   1.7441  12.634  6.6433 12.634  6.6433 0.000000       0.000000 
1 1 1 29 3  1  f 21.273  4.1998 3.8859   1.3509  5.8793   2.0242  2.2851   1.8139  25.785  5.1874 16.496  5.7321 9.288677       7.730821 
1 1 1 29 3  2  o 61.430  1.8323 29.945   1.7646  26.119   2.3284  35.108   2.7047  57.017  2.6049 66.102  2.6100 -9.084171      3.687530 
1 1 1 29 3  3  o 38.042  2.4285 11.634   1.4407  12.321   2.0823  11.003   1.9954  38.661  3.4727 36.489  3.5326 2.171974       4.953638 
1 1 1 29 3  4  o 58.224  1.8457 26.908   1.6847  26.802   2.4120  27.009   2.3541  57.719  2.6657 57.984  2.5898 -0.2650108     3.716538 
1 1 1 29 3  5  o 36.947  2.4693 10.989   1.4220  10.503   2.0148  11.471   2.0073  35.564  3.6663 37.284  3.4743 -1.719185      5.051049 
1 1 1 29 3  6  o 25.088  3.4570 5.2371   1.3235  6.4986   1.8468  3.9050   1.8977  27.525  4.4302 20.726  5.6745 6.798851       7.199105 
1 1 1 29 3  7  f 12.538  4.6956 1.0960   1.2457  0.8353   1.7378  1.3716   1.7866  13.111  5.3503 14.315  5.5586 -1.203675      7.715174 
1 1 1 29 3  8  o 51.353  1.9811 20.982   1.5948  22.129   2.2888  19.900   2.2236  52.282  2.8027 49.531  2.8760 2.751114       4.015813 
1 1 1 29 3  9  o 22.314  3.7281 4.2050   1.2581  2.8722   1.7660  5.5786   1.7928  17.934  5.6361 25.303  4.6924 -7.369501      7.333775 
1 1 1 29 3  10 f 15.786  4.7624 2.1695   1.2769  1.4232   1.7878  2.9467   1.8244  14.397  5.5688 18.124  5.7326 -3.727098      7.992146 
1 1 1 29 3  11 f 59.873  1.8065 28.466   1.6956  27.127   2.3835  29.836   2.4125  58.038  2.6197 60.925  2.5260 -2.886086      3.639119 
1 1 1 29 3  12 o 13.773  4.6637 1.5596   1.1987  0.9812   1.7019  2.1288   1.6885  13.269  5.3379 15.892  5.5299 -2.623510      7.685914 
1 1 1 29 3  13 o 49.695  1.9900 19.674   1.5503  20.422   2.2489  18.997   2.1402  50.121  2.8742 48.357  2.8355 1.763084       4.037452 
1 1 1 29 3  14 o 15.607  4.8827 2.1242   1.3271  5.7541   2.0711  -0.4044  1.7286  25.219  5.4016 10.930  4.8948 14.28910       7.289422 
1 1 1 29 3  15 o 27.332  3.4184 6.2291   1.4327  6.3399   2.0293  6.1189   2.0229  26.705  5.0320 26.175  5.1132 0.5293293      7.173993 
1 1 1 29 3  16 o 20.751  4.5598 3.8003   1.4428  3.8103   2.0455  3.7904   2.0355  20.173  6.0145 20.128  5.9995 0.4540062E-01  8.495237 
1 1 1 29 3  17 o 36.928  2.9036 11.155   1.6673  11.751   2.2689  10.454   2.4585  37.272  3.9429 34.662  4.6409 2.609879       6.089670 
1 1 1 29 3  18 o 35.118  3.0498 10.147   1.6624  11.566   2.4297  8.8984   2.2794  36.689  4.3062 31.869  4.7039 4.820587       6.377341 
1 1 1 29 3  19 o 15.930  4.9817 2.2555   1.3816  2.1601   2.0311  2.3376   1.8849  16.129  6.0047 16.399  5.8313 -0.2703667     8.370212 
1 1 1 29 3  20 o 36.738  2.6112 10.979   1.4941  10.175   2.1559  11.722   2.0725  34.489  4.0655 37.384  3.5801 -2.894508      5.417169 
1 1 1 29 3  21 o 13.246  4.8311 1.3764   1.3035  3.0206   1.9220  -0.0240  1.7738  18.010  5.9009 11.513  5.0676 6.496778       7.778295 
1 1 1 29 3  22 f 8.1811  3.8252 -0.9806  1.2193  -0.5014  1.7741  -1.4095  1.6786  10.810  4.8895 9.3904  4.4214 1.419168       6.592073 
1 1 1 29 3  23 o 19.761  4.4856 3.4943   1.3578  3.5466   1.8793  3.4372   1.9638  19.311  5.7669 18.972  5.9403 0.3386707      8.279170 
1 1 1 29 3  24 o 19.880  4.3424 3.5187   1.3155  4.2822   1.8354  2.7122   1.8863  21.322  5.4655 17.117  5.8502 4.204931       8.006029 
1 1 1 29 3  25 o 53.723  1.9947 23.123   1.6799  20.727   2.3188  25.770   2.4371  50.137  2.9634 56.154  2.7685 -6.016872      4.055396 
1 1 1 29 3  26 o 10.492  4.5003 0.2171   1.3259  0.5868   1.8858  -0.1444  1.8647  12.654  5.3955 11.480  5.1167 1.173123       7.435871 
1 1 1 29 3  27 o 44.533  2.2111 15.989   1.5436  17.918   2.2182  14.178   2.1494  46.470  3.0620 41.079  3.3672 5.391140       4.551240 
1 1 1 29 3  28 o 10.667  4.5504 0.2961   1.3425  -0.5850  1.8614  1.2512   1.9381  10.841  4.9446 13.866  5.6532 -3.024441      7.510544 
1 1 1 29 3  29 o 36.956  2.6115 11.200   1.5032  12.911   2.3290  9.9785   1.9681  38.689  3.8928 34.095  3.7437 4.593842       5.400858 
1 1 1 29 3  30 o 8.0162  3.7764 -1.0792  1.2275  -1.3258  1.7754  -0.8535  1.6991  9.6839  4.5558 9.9866  4.6164 -0.3026505     6.485850 
1 1 1 29 3  31 o 22.609  3.9170 4.4867   1.3380  4.6811   1.9588  4.3168   1.8319  21.898  5.6636 21.139  5.4819 0.7591114      7.882096 
1 1 1 29 3  32 o 16.481  4.8458 2.5313   1.3353  1.1434   1.9488  3.7593   1.8331  13.575  5.6160 19.569  5.6562 -5.994617      7.970765 
1 1 1 29 3  33 o 19.404  4.5915 3.4697   1.3749  1.3151   1.9611  5.5525   1.9282  13.881  5.6762 24.198  5.2351 -10.31655      7.721791 
1 1 1 29 3  34 o 23.428  4.1954 4.9071   1.4843  6.1820   2.2466  3.9195   1.9773  25.000  5.8381 19.739  5.9199 5.260771       8.314380 
1 1 1 29 3  35 o 40.665  2.4008 13.516   1.5237  13.963   2.0792  12.997   2.2394  40.616  3.2938 38.782  3.7294 1.834137       4.975727 
1 1 1 29 3  36 o 10.416  4.4871 0.2479   1.3288  0.1382   1.9158  0.3497   1.8447  11.797  5.2259 11.945  5.2148 -0.1474133     7.382720 
1 1 1 29 3  37 o 25.669  3.4033 5.6664   1.3357  4.4950   1.8961  6.8204   1.8820  21.251  5.6093 27.310  4.5563 -6.059092      7.226663 
1 1 1 29 3  38 o 41.176  2.3000 13.852   1.4787  15.728   2.1181  12.068   2.0653  43.132  3.1544 37.382  3.5676 5.750534       4.762161 
1 1 1 29 3  39 o 16.221  4.7624 2.5054   1.2905  4.2124   1.8255  0.8001   1.8246  20.466  5.5499 12.509  5.3200 7.956952       7.687869 
1 1 1 29 3  40 o 12.144  4.6828 1.1495   1.2611  -0.5812  1.7768  2.9062   1.7901  10.337  4.7578 16.915  5.6995 -6.577360      7.424346 
1 1 1 29 3  41 o 7.9897  3.8053 -1.2670  1.3131  -4.1777  1.7899  2.1258   1.9324  7.3615  3.6841 15.007  5.7939 -7.645691      6.866042 
1 1 1 29 3  42 o 19.463  4.7727 3.6769   1.4451  3.9615   1.9938  3.3619   2.0975  19.144  5.9840 17.566  6.1606 1.577887       8.588397 
1 1 1 29 3  43 o 9.7465  4.3798 -0.1196  1.3966  0.9955   1.9678  -1.2515  1.9826  12.776  5.4812 9.9982  4.7368 2.777599       7.244380 
1 1 1 29 3  44 o 30.706  3.2110 8.2023   1.5228  10.247   2.1371  6.0934   2.1705  33.256  4.1923 23.776  5.8607 9.479677       7.205738 
1 1 1 29 4  0  o 54.139  2.5861 23.383   2.1835  23.383   2.1835  23.383   2.1835  54.139  2.5861 54.139  2.5861 0.000000       0.000000 
1 1 1 29 4  1  o 28.215  3.2177 6.5983   1.3978  7.1181   1.9601  6.0605   1.9938  28.609  4.5206 26.034  5.0676 2.574322       6.790920 
1 1 1 29 4  2  o 64.637  1.8186 33.231   1.8428  35.058   2.6400  31.495   2.5736  65.926  2.5544 62.433  2.6294 3.492344       3.665910 
1 1 1 29 4  3  o 18.026  4.3910 2.8649   1.2294  3.0324   1.7516  2.7024   1.7259  18.213  5.5950 17.318  5.5862 0.8944836      7.906341 
1 1 1 29 4  4  o 25.742  3.1928 5.5020   1.2608  7.7601   1.7916  3.2864   1.7747  30.272  3.8634 18.896  5.5952 11.37591       6.799371 
1 1 1 29 4  5  o 16.415  4.5977 2.3883   1.2303  1.1217   1.7192  3.7175   1.7612  13.505  5.3887 20.099  5.4516 -6.593893      7.665379 
1 1 1 29 4  6  o 21.629  3.8316 4.0045   1.2516  5.7156   1.7896  2.3662   1.7511  25.482  4.6513 16.425  5.6363 9.056635       7.307662 
1 1 1 29 4  7  o 36.080  2.5560 10.558   1.4364  13.369   1.9913  7.5094   2.0739  40.264  3.1807 29.257  4.6794 11.00609       5.658016 
1 1 1 29 4  8  o 26.244  3.6448 5.8185   1.4591  5.2055   1.9306  6.6351   2.2281  23.895  5.2933 26.946  5.4616 -3.051264      7.605824 
1 1 1 29 4  9  o 13.897  5.1009 1.5137   1.4564  0.6378   1.8117  3.1139   2.4487  12.753  5.3558 18.432  6.6366 -5.679181      8.528109 
1 1 1 29 4  10 o 34.825  2.9161 9.9516   1.5774  8.2083   2.0286  12.617   2.5084  30.800  4.3203 38.332  4.2456 -7.532055      6.057213 
1 1 1 29 4  11 o 9.3513  4.3287 -0.9430  1.5016  -0.5460  1.9173  -1.5729  2.4150  11.218  5.0778 11.467  5.3687 -0.2492733     7.389650 
1 1 1 29 4  12 o 40.677  2.8468 13.544   1.8039  15.446   2.7102  12.032   2.4170  42.502  4.1194 37.421  4.1922 5.080315       5.877387 
1 1 1 29 4  13 o 13.664  5.1201 1.4270   1.4815  0.5328   2.2094  2.1575   1.9969  13.430  5.7856 16.014  5.9555 -2.584456      8.303063 
1 1 1 29 4  14 o 10.113  4.4649 -0.1386  1.3871  -3.0853  1.9202  3.0765   2.0058  8.6990  4.2517 18.115  6.0327 -9.416448      7.380421 
1 1 1 29 4  15 o 45.253  2.3239 16.541   1.6430  17.280   2.2518  15.700   2.4027  45.688  3.1634 43.221  3.5783 2.467037       4.776124 
1 1 1 29 4  16 o 29.808  3.1407 7.3949   1.4455  8.2648   2.0300  6.5002   2.0588  30.772  4.3278 26.718  5.1015 4.053123       6.689893 
1 1 1 29 4  17 o 24.768  3.7818 5.2681   1.4219  4.0151   1.8834  6.9287   2.1682  20.531  5.6663 27.482  5.2236 -6.951469      7.706682 
1 1 1 29 4  18 f 22.904  3.7416 4.5152   1.2970  3.1987   1.8935  5.6789   1.7803  18.318  5.8452 25.155  4.6868 -6.837101      7.492178 
1 1 1 29 4  19 o 41.648  2.2720 14.029   1.4778  16.631   2.1854  11.837   2.0058  44.749  3.1351 37.496  3.4511 7.252262       4.662479 
1 1 1 29 4  20 o 9.5540  4.2215 -0.1312  1.2424  -2.6935  1.7307  2.5935   1.7847  8.3204  4.0601 16.716  5.6905 -8.395654      6.990454 
1 1 1 29 4  21 o 14.110  4.8174 1.7325   1.2791  1.2778   1.8374  2.1599   1.7816  13.772  5.5442 15.617  5.6554 -1.845718      7.919655 
1 1 1 29 4  22 o 22.510  4.2844 4.5099   1.4567  4.3725   1.9773  4.6730   2.1541  21.177  5.7899 21.690  6.0868 -0.5129375     8.400714 
1 1 1 29 4  23 o 14.381  4.9100 1.8254   1.3287  0.4647   1.8721  3.2067   1.8862  12.350  5.3231 18.171  5.8376 -5.820861      7.900216 
1 1 1 29 4  24 o 32.548  2.7997 8.7622   1.4146  8.3935   1.9273  9.1929   2.0828  30.988  4.0655 32.331  4.2092 -1.343004      5.851980 
1 1 1 29 4  25 o 14.404  4.7945 1.8569   1.2670  3.6498   1.7254  -0.2409  1.8664  19.451  5.4438 11.252  5.0592 8.198212       7.431746 
1 1 1 29 4  26 o 39.044  2.3704 12.422   1.4440  12.191   1.9379  12.712   2.1650  38.023  3.2834 38.540  3.6260 -0.5173759     4.891702 
1 1 1 29 4  27 o 17.956  4.5744 2.9747   1.2913  1.6099   1.7330  4.6782   1.9362  14.152  5.4803 21.870  5.6177 -7.718190      7.848067 
1 1 1 29 4  28 o 36.701  2.5401 11.059   1.4524  11.889   1.9625  10.053   2.1597  37.422  3.3817 33.735  4.1727 3.687138       5.371009 
1 1 1 29 4  29 o 12.184  4.7236 1.0808   1.2886  0.5615   1.7326  1.7234   1.9276  12.071  5.1600 14.575  5.7404 -2.504156      7.718657 
1 1 1 29 4  30 o 22.346  4.0777 4.4541   1.3758  3.9181   1.8826  5.0684   2.0156  19.812  5.7338 22.636  5.6873 -2.823717      8.075983 
1 1 1 29 4  31 o 23.788  3.8704 4.9849   1.3937  4.6312   1.8558  5.4424   2.1108  21.770  5.4503 23.357  5.7930 -1.587246      7.953841 
1 1 1 29 4  32 o 10.527  4.5692 0.2021   1.3991  -0.6286  1.9549  1.0742   2.0031  10.880  5.0013 13.408  5.6314 -2.528440      7.531672 
1 1 1 29 4  33 o 30.966  3.1854 8.1366   1.5243  9.5098   2.1104  6.6392   2.2039  32.605  4.2285 26.013  5.5724 6.592325       6.995100 
1 1 1 29 4  34 o 18.373  4.8074 3.2118   1.4006  1.4803   1.8110  5.7891   2.2095  13.789  5.5207 23.817  5.9382 -10.02785      8.108073 
1 1 1 29 4  35 o 22.800  4.1276 4.6986   1.4210  5.3567   1.9175  3.8968   2.1165  23.365  5.3501 19.181  6.1860 4.184292       8.178653 
1 1 1 29 4  36 o 22.025  4.2242 4.4342   1.4055  5.8335   2.0776  3.2534   1.9085  24.094  5.6058 17.724  5.8838 6.369883       8.126728 
1 1 1 29 4  37 o 12.463  4.7269 1.2777   1.2713  2.3707   1.7872  0.1585   1.8086  15.537  5.6585 11.375  5.0564 4.161439       7.588500 
1 1 1 29 4  38 o 12.128  4.8106 1.1067   1.3627  0.5957   2.0098  1.5415   1.8540  12.371  5.4209 13.722  5.5533 -1.350895      7.760542 
1 1 1 29 4  39 o 10.618  4.5306 0.4604   1.3314  0.9757   2.0068  0.0553   1.7793  12.863  5.5273 11.051  4.9564 1.811546       7.424120 
1 1 1 29 4  40 o 14.952  4.9928 2.2161   1.3736  2.0848   1.9995  2.3334   1.8902  14.695  5.8278 15.172  5.7615 -0.4764156     8.195015 
1 1 1 29 4  41 o 13.035  4.8451 1.5659   1.3214  3.2028   1.9440  0.1602   1.8015  16.985  5.9323 11.108  4.9843 5.876333       7.748218 
1 1 1 29 5  0  o 24.432  9.3140 7.0667   3.3596  7.0667   3.3596  7.0667   3.3596  24.432  9.3140 24.432  9.3140 0.000000       0.000000 
1 1 1 29 5  1  o 25.256  4.6675 5.7078   1.7799  5.2727   2.9545  5.9557   2.2300  22.382  7.3155 24.997  5.8023 -2.614973      9.337193 
1 1 1 29 5  2  o 59.898  2.2716 28.911   2.1330  31.120   3.2546  27.248   2.8241  61.027  3.4156 57.358  3.1528 3.669289       4.648286 
1 1 1 29 5  3  o 32.913  3.3819 9.0952   1.7201  9.8870   2.9241  8.6762   2.1271  32.218  6.0107 31.415  4.4431 0.8025761      7.474617 
1 1 1 29 5  4  o 13.754  5.1588 1.4816   1.5047  0.2069   2.3919  2.3164   1.9356  13.263  5.8591 16.189  5.8898 -2.925862      8.307752 
1 1 1 29 5  5  o 38.764  2.6236 12.273   1.5849  10.703   2.4052  13.479   2.1071  34.865  4.5060 40.108  3.3828 -5.243095      5.634492 
1 1 1 29 5  6  o 23.857  4.0101 4.9533   1.4465  7.7512   2.2286  2.9164   1.9015  29.195  5.0523 17.592  5.8744 11.60336       7.748194 
1 1 1 29 5  7  o 20.803  4.4089 3.8676   1.3932  1.9276   2.1327  5.3117   1.8400  15.526  6.0609 24.059  5.0400 -8.532843      7.882615 
1 1 1 29 5  8  o 13.486  4.8958 1.4812   1.3364  1.6844   1.8840  1.2755   1.8959  14.717  5.7100 13.917  5.6215 0.7997723      8.012808 
1 1 1 29 5  9  o 21.103  4.1135 3.9241   1.3119  4.2283   1.8866  3.6393   1.8257  21.018  5.6178 19.487  5.6483 1.530952       7.966335 
1 1 1 29 5  10 o 18.372  4.5944 3.0694   1.3198  1.5843   1.9400  4.3489   1.8007  14.562  5.7513 21.465  5.3658 -6.903035      7.865709 
1 1 1 29 5  11 o 30.347  2.9232 7.6359   1.3735  7.8804   1.9755  7.4071   1.9110  29.904  4.3407 28.981  4.3397 0.9234581      6.138033 
1 1 1 29 5  12 o 19.916  4.2953 3.5479   1.3017  5.7235   1.9582  1.8258   1.7423  24.800  5.2029 14.795  5.5508 10.00537       7.607951 
1 1 1 29 5  13 o 21.958  4.0710 4.2474   1.3497  7.1349   2.0194  1.9160   1.8146  28.096  4.7545 15.058  5.6618 13.03823       7.393347 
1 1 1 29 5  14 o 22.355  3.8380 4.3525   1.2966  6.5509   1.9448  2.5934   1.7396  26.849  4.7965 16.636  5.6185 10.21277       7.387408 
1 1 1 29 5  15 o 16.585  4.7168 2.5308   1.2846  0.6184   1.8708  4.2372   1.7671  12.593  5.3720 21.104  5.3377 -8.510339      7.572976 
1 1 1 29 5  16 o 12.812  4.8008 1.2827   1.3025  0.7340   1.8705  1.7992   1.8147  12.770  5.4066 14.741  5.6339 -1.970737      7.808452 
1 1 1 29 5  17 o 19.886  4.7441 3.6527   1.4583  2.7459   2.2120  4.3499   1.9395  17.015  6.2797 21.072  5.7231 -4.056740      8.496435 
1 1 1 29 5  18 f 9.7650  4.2734 0.0110   1.2453  0.7806   1.8657  -0.6075  1.6725  12.805  5.4093 10.198  4.6649 2.606785       7.142958 
1 1 1 29 5  19 o 11.347  4.6286 0.7045   1.3000  2.0254   1.9424  -0.3671  1.7495  15.287  5.8321 10.737  4.8563 4.549577       7.589284 
1 1 1 29 5  20 o 20.582  4.2800 3.8201   1.3360  4.2127   1.9449  3.4694   1.8383  20.605  5.7842 18.754  5.7268 1.851088       8.139611 
1 1 1 29 5  21 o 15.853  4.8032 2.3370   1.2968  0.2857   1.8539  4.3023   1.8147  11.926  5.2166 21.041  5.4559 -9.114706      7.548525 
1 1 1 29 5  22 o 22.438  4.1388 4.4982   1.4022  3.4763   1.9103  5.6922   2.0648  18.645  5.8622 24.184  5.5623 -5.538301      8.081105 
1 1 1 29 5  23 o 17.422  4.6832 2.8345   1.3066  5.4894   1.9874  0.8133   1.7341  23.809  5.4431 12.502  5.2446 11.30665       7.558689 
1 1 1 29 5  24 o 10.979  4.5711 0.5593   1.3029  -0.6553  1.9594  1.5220   1.7444  10.885  5.0049 13.895  5.4645 -3.009731      7.410136 
1 1 1 29 5  25 o 10.034  4.4092 0.0264   1.3378  1.6386   2.0161  -1.2419  1.7882  14.451  5.8110 9.7250  4.5742 4.725520       7.395336 
1 1 1 29 5  26 o 55.456  2.0275 24.816   1.7626  27.236   2.6229  22.824   2.3802  57.143  2.9379 52.326  2.9132 4.817039       4.137419 
1 1 1 29 5  27 o 32.898  2.9289 9.0685   1.4947  7.9288   2.1474  10.140   2.0819  29.193  4.8633 33.904  3.9935 -4.711721      6.292819 
1 1 1 29 5  28 o 53.705  2.0291 23.295   1.7084  23.010   2.5106  23.542   2.3314  52.312  3.0749 53.218  2.8044 -0.9055862     4.161667 
1 1 1 29 5  29 o 13.945  4.9514 1.7490   1.3585  6.2375   2.0245  -1.9274  1.8323  25.418  5.2544 9.1400  4.3910 16.27810       6.847617 
1 1 1 29 5  30 o 16.079  4.9657 2.4829   1.3776  1.6848   1.9791  3.2330   1.9187  14.343  5.7611 17.748  5.8998 -3.405009      8.246104 
1 1 1 29 5  31 o 41.607  2.5421 14.306   1.6502  16.449   2.6825  13.000   2.0930  43.026  4.0238 38.804  3.4776 4.222107       5.318278 
1 1 1 29 5  32 o 15.479  5.0723 2.3176   1.4201  3.5636   2.2468  1.4887   1.8326  18.145  6.3753 13.704  5.5298 4.441441       8.439378 
1 1 1 29 5  33 o 12.420  4.8965 1.1878   1.4038  -0.3463  2.1609  2.3080   1.8465  11.510  5.2789 15.378  5.7252 -3.867906      7.787446 
1 1 1 29 5  34 o 17.501  5.1767 3.0723   1.5198  4.9722   2.2545  1.4899   2.0575  21.208  6.3124 13.849  5.7534 7.359075       8.540992 
1 1 1 29 5  35 o 19.582  4.9521 3.7890   1.5212  3.6475   2.2394  3.9102   2.0729  18.016  6.3614 18.828  6.1263 -0.8115749     8.831697 
1 1 1 29 5  36 o 16.657  5.0190 2.7929   1.4188  2.8826   2.1798  2.7269   1.8689  16.316  6.1892 16.078  5.7969 0.2383671      8.480007 
1 1 1 29 5  37 f 15.543  5.1561 2.4646   1.4657  5.7327   2.3313  0.3283   1.8848  22.386  6.3499 11.539  5.1435 10.84682       8.171697 
1 1 1 29 5  38 o 12.078  4.8264 1.1768   1.3812  1.8522   1.9585  0.5084   1.9482  14.023  5.6963 11.829  5.2534 2.194612       7.748879 
1 1 1 29 6  0  o 10.609  6.3471 1.1671   1.8787  1.1671   1.8787  1.1671   1.8787  10.609  6.3471 10.609  6.3471 0.000000       0.000000 
1 1 1 29 6  1  f 13.168  5.0054 1.3577   1.4275  1.5830   1.9293  1.0852   2.1219  14.384  5.7182 13.789  5.7938 0.5957022      8.140389 
1 1 1 29 6  2  o 16.230  4.9056 2.4519   1.3539  5.2056   2.0218  0.2132   1.8230  23.140  5.6275 11.781  5.1626 11.35924       7.636834 
1 1 1 29 6  3  o 24.396  3.8359 5.1928   1.4186  4.0234   1.9396  6.5378   2.0802  20.153  5.8162 26.380  5.2149 -6.226662      7.811715 
1 1 1 29 6  4  o 14.969  5.1466 2.0307   1.4604  -0.0798  1.9557  4.6908   2.1956  11.683  5.2212 21.486  6.1846 -9.802540      8.093809 
1 1 1 29 6  5  o 16.812  5.0655 2.6623   1.4452  0.8635   1.9610  4.8010   2.1382  13.116  5.5436 21.849  6.0405 -8.732755      8.198665 
1 1 1 29 6  6  o 34.224  2.7828 9.6981   1.4801  9.5945   1.9643  9.8341   2.2512  33.269  3.8367 33.171  4.4405 0.9748077E-01  5.868423 
1 1 1 29 6  7  o 12.343  4.9534 0.9888   1.4616  3.1522   2.0502  -1.2472  2.0844  17.830  6.0990 10.632  4.9808 7.197750       7.874422 
1 1 1 29 6  8  o 28.417  3.7295 6.9926   1.6213  6.8326   2.2972  7.1514   2.2886  26.508  5.6975 27.284  5.5399 -0.7760048     7.946845 
1 1 1 29 6  9  o 44.826  2.4103 16.400   1.6875  18.653   2.6098  14.782   2.2122  46.716  3.5912 41.734  3.4112 4.981506       4.953034 
1 1 1 29 6  10 o 12.186  4.8325 1.0064   1.3748  1.6804   2.1248  0.5211   1.8031  14.751  5.9537 12.178  5.2363 2.573319       7.928827 
1 1 1 29 6  11 o 25.274  3.7487 5.5633   1.4403  2.8313   2.1431  7.8135   1.9450  17.037  6.1975 29.568  4.3238 -12.53143      7.556713 
1 1 1 29 6  12 o 18.303  4.8034 3.1450   1.3956  1.0483   2.1618  4.6433   1.8275  13.705  5.8080 21.919  5.3623 -8.213977      7.904917 
1 1 1 29 6  13 o 21.938  4.1156 4.3043   1.3634  4.2469   2.0465  4.3502   1.8283  20.442  5.9960 21.091  5.4799 -0.6487598     8.122864 
1 1 1 29 6  14 o 10.322  4.4582 0.2096   1.3187  0.5542   1.9336  -0.0900  1.8030  12.473  5.3929 11.205  5.0100 1.267970       7.360926 
1 1 1 29 6  15 o 7.9008  3.7505 -1.2242  1.2549  -1.2538  1.8016  -1.1963  1.7488  9.7577  4.5901 9.6596  4.5370 0.9810066E-01  6.453987 
1 1 1 29 6  16 o 21.903  3.9385 4.2594   1.3026  3.7415   1.7828  4.8525   1.9079  19.423  5.5677 22.236  5.5030 -2.813179      7.828352 
1 1 1 29 6  17 f 11.310  4.5625 0.7786   1.2471  2.6237   1.7633  -1.0681  1.7641  16.432  5.6549 9.8325  4.5985 6.599719       7.288655 
1 1 1 29 6  18 o 11.873  4.6462 1.0054   1.2557  2.3848   1.7257  -0.5464  1.8304  15.815  5.5844 10.633  4.8700 5.181903       7.409571 
1 1 1 29 6  19 o 13.941  4.7707 1.7549   1.2544  -0.0363  1.7559  3.6219   1.7927  11.108  4.9569 19.019  5.6213 -7.910446      7.494702 
1 1 1 29 6  20 o 38.496  2.4127 12.156   1.4487  12.233   2.0327  12.076   2.0653  37.743  3.4744 37.414  3.5643 0.3290977      4.977521 
1 1 1 29 6  21 o 7.2050  3.5017 -1.8377  1.2520  -1.6770  1.7373  -2.0115  1.8059  9.0864  4.3412 8.9922  4.3300 0.9422970E-01  6.131427 
1 1 1 29 6  22 o 14.231  4.8483 1.8588   1.2955  1.7149   1.8296  2.0035   1.8346  14.278  5.6024 14.899  5.6718 -0.6203804     7.972222 
1 1 1 29 6  23 o 15.723  4.8468 2.3510   1.3131  3.9731   1.8874  0.8293   1.8281  19.726  5.7503 12.581  5.3368 7.145345       7.845153 
1 1 1 29 6  24 o 8.9899  4.1156 -0.5108  1.3054  0.0054   1.8662  -1.0053  1.8265  11.373  5.0903 10.015  4.6823 1.358652       6.916283 
1 1 1 29 6  25 o 43.820  2.3169 15.727   1.5860  12.040   2.2219  19.558   2.2645  36.906  3.8993 48.179  3.0134 -11.27251      4.928021 
1 1 1 29 6  26 o 14.095  4.9496 1.8345   1.3542  4.2371   1.9973  -0.2098  1.8423  20.100  5.9313 10.981  4.9733 9.119716       7.740441 
1 1 1 29 6  27 o 24.758  3.7601 5.4402   1.4135  6.2561   2.0798  4.7399   1.9269  25.066  5.4483 21.521  5.6423 3.545767       7.843422 
1 1 1 29 6  28 o 33.642  2.8434 9.5301   1.4855  10.955   2.1646  8.2614   2.0425  34.931  4.0265 29.839  4.5069 5.091953       6.043545 
1 1 1 29 6  29 o 12.276  4.8480 1.1628   1.3783  -0.2174  1.8603  2.8424   2.0522  10.925  4.9675 16.475  6.0538 -5.549726      7.830990 
1 1 1 29 6  30 o 8.2927  3.9138 -1.0297  1.3295  -0.3114  1.9070  -1.7089  1.8545  10.880  4.9785 9.2626  4.4413 1.617220       6.671649 
1 1 1 29 6  31 o 26.122  3.6540 6.0798   1.4554  6.1608   2.2367  6.0203   1.9166  23.966  5.9744 24.629  5.1305 -0.6627693     7.874967 
1 1 1 29 6  32 o 13.920  4.9678 1.8623   1.3692  2.0403   2.0138  1.7093   1.8672  14.581  5.8273 13.849  5.5841 0.7319708      8.070920 
1 1 1 29 6  33 f 16.787  4.8928 2.8446   1.3666  3.1498   1.9675  2.5601   1.8995  16.834  5.9607 15.533  5.8021 1.300646       8.318316 
1 1 1 29 6  34 o 26.739  3.6616 6.4539   1.4946  5.8907   2.1233  7.0070   2.1040  23.208  5.8406 26.089  5.3248 -2.880274      7.903555 
1 1 1 29 6  35 o 16.115  5.2240 2.7591   1.5079  1.3858   2.1662  4.0501   2.1004  13.282  5.7252 18.472  6.1739 -5.190832      8.419926 
1 1 1 29 7  0  o 18.663  6.8953 3.9516   1.8699  3.9516   1.8699  3.9516   1.8699  18.663  6.8953 18.663  6.8953 0.000000       0.000000 
1 1 1 29 7  1  o 9.2396  4.1957 -0.4056  1.3218  -0.7571  1.8132  -0.0069  1.9311  10.310  4.7670 11.575  5.1793 -1.264535      7.039093 
1 1 1 29 7  2  o 15.259  4.9761 2.1926   1.3673  2.1273   1.8387  2.2733   2.0451  15.213  5.7034 15.643  5.9804 -0.4301319     8.264026 
1 1 1 29 7  3  o 19.694  4.3847 3.5709   1.3190  4.1052   1.8878  3.0613   1.8435  20.160  5.7126 17.455  5.7822 2.704887       8.128151 
1 1 1 29 7  4  o 10.508  4.5270 0.2811   1.3527  0.4198   2.0035  0.1649   1.8338  12.331  5.4077 11.580  5.1221 0.7513752      7.448436 
1 1 1 29 7  5  o 23.495  3.8302 4.8790   1.3621  5.3032   1.9738  4.4933   1.8821  23.175  5.5131 21.211  5.5837 1.963564       7.846796 
1 1 1 29 7  6  o 8.4526  3.9178 -0.7211  1.2358  -0.2049  1.7366  -1.2507  1.7591  10.796  4.8646 9.5859  4.5173 1.210002       6.638528 
1 1 1 29 7  7  o 9.5214  4.2504 -0.1614  1.2923  -0.8096  1.8275  0.4870   1.8276  10.275  4.7630 12.045  5.2253 -1.770432      7.070408 
1 1 1 29 7  8  o 10.956  4.5747 0.5690   1.3102  -0.2175  1.8186  1.4178   1.8893  10.989  4.9623 13.768  5.5939 -2.779464      7.477752 
1 1 1 29 7  9  o 18.723  4.6147 3.2931   1.3458  6.3289   1.9339  0.4426   1.8739  25.886  4.9460 12.066  5.2621 13.81994       7.221663 
1 1 1 29 7  10 o 43.036  2.3577 15.168   1.5846  14.058   2.2942  16.181   2.1913  40.218  3.6796 43.655  3.2248 -3.436398      4.892696 
1 1 1 29 7  11 o 16.663  4.9254 2.6665   1.3762  2.2434   2.0230  3.0310   1.8776  15.502  5.9428 17.293  5.8371 -1.790683      8.329994 
1 1 1 29 7  12 o 10.503  4.4878 0.3566   1.3097  -1.2708  1.9077  1.8074   1.8012  9.9752  4.7018 14.416  5.5858 -4.440856      7.301279 
1 1 1 29 7  13 o 39.948  2.5199 13.166   1.5700  14.798   2.2639  11.654   2.1791  41.404  3.5214 36.364  3.8825 5.039539       5.241586 
1 1 1 29 7  14 o 21.411  4.4748 4.2530   1.4536  4.7225   2.0205  3.7492   2.0928  21.418  5.8515 18.830  6.1570 2.587824       8.494084 
1 1 1 29 7  15 o 22.845  4.2879 4.7722   1.4793  4.2806   1.9664  5.4131   2.2452  20.345  5.8518 22.655  6.1596 -2.309658      8.496141 
1 1 1 29 7  16 o 12.463  4.9917 1.1201   1.4811  0.7367   2.0563  1.5335   2.1352  12.804  5.5486 14.197  5.8764 -1.392917      8.082026 
1 1 1 29 7  17 o 11.875  4.8715 0.8799   1.4504  1.0693   1.9293  0.6338   2.1994  13.101  5.5157 12.892  5.6595 0.2088127      7.902732 
1 1 1 29 7  18 o 29.133  3.4569 7.3654   1.5480  4.7678   2.0184  11.075   2.4122  21.433  5.8457 34.649  4.5510 -13.21595      7.408351 
1 1 1 29 7  19 o 8.5952  4.0809 -1.2958  1.4872  -2.6348  1.9900  0.3980   2.2382  8.9651  4.3700 12.604  5.6126 -3.639326      7.113212 
1 1 1 29 7  20 o 13.272  5.1689 1.4664   1.5484  0.3622   2.3003  2.3813   2.0939  12.645  5.6559 15.621  6.0310 -2.975697      8.268188 
1 1 1 29 7  21 o 34.888  3.0676 10.360   1.6607  12.060   2.5951  9.1799   2.1612  35.835  4.7355 31.463  4.5107 4.371567       6.539998 
1 1 1 29 7  22 o 12.304  5.0437 1.0391   1.5531  0.9140   2.4438  1.1240   2.0117  13.507  5.9467 13.188  5.5966 0.3187866      8.166070 
1 1 1 29 7  23 o 12.355  5.0572 1.0735   1.5586  -1.0847  2.3249  2.8352   2.1006  11.041  5.2000 16.417  6.1075 -5.375737      8.021299 
1 1 1 29 7  24 o 7.8506  3.7987 -1.7806  1.4316  -1.4073  2.2961  -2.0180  1.8312  10.653  5.0617 8.9198  4.3112 1.733041       6.648857 
1 1 1 29 7  25 o 11.326  4.8160 0.6441   1.4949  -2.2232  2.3332  2.6406   1.9470  10.047  4.8585 15.900  5.8869 -5.852878      7.632915 
1 1 1 29 7  26 o 25.569  4.0439 5.9955   1.5670  4.5174   2.4858  6.9702   2.0186  19.394  6.7119 26.610  5.0232 -7.215425      8.383405 
1 1 1 29 7  27 o 22.653  4.5033 4.9093   1.5429  5.7283   2.5062  4.4094   1.9580  21.905  6.6863 20.067  5.8588 1.837551       8.890017 
1 1 1 29 7  28 o 22.834  4.7315 5.1058   1.6380  3.2086   2.4992  6.5346   2.1688  16.598  6.5365 24.801  5.6981 -8.202810      8.671467 
1 1 1 29 7  29 o 15.046  5.3222 2.3548   1.5681  1.6445   2.4070  2.8786   2.0670  13.983  6.0312 16.027  6.0396 -2.044692      8.535303 
1 1 1 29 7  30 o 13.051  5.2457 1.5306   1.6420  1.4652   2.2876  1.6002   2.3583  13.525  5.8567 13.777  5.9562 -0.2521496     8.353328 
1 1 1 29 7  31 o 9.7181  4.5223 -0.5490  1.6720  0.7144   2.4247  -1.6945  2.3088  12.608  5.7083 10.119  4.8784 2.489075       7.508877 
1 1 1 29 8  0  o 15.590  7.4004 3.1906   2.0583  3.1906   2.0583  3.1906   2.0583  15.590  7.4004 15.590  7.4004 0.000000       0.000000 
1 1 1 29 8  1  o 20.170  4.8069 3.9112   1.4984  3.7487   2.1046  4.0781   2.1337  18.644  6.1781 19.400  6.2064 -0.7555408     8.757201 
1 1 1 29 8  2  o 24.440  4.4043 5.5256   1.6254  5.2205   2.0580  6.0315   2.6501  22.452  5.8043 22.956  6.8464 -0.5036163     8.975752 
1 1 1 29 8  3  f 18.958  4.8077 3.4691   1.4309  2.5322   2.0027  4.4462   2.0452  15.917  5.9553 20.466  5.9915 -4.549248      8.447727 
1 1 1 29 8  4  o 9.9655  4.4111 0.0160   1.3624  0.2244   1.9105  -0.1995  1.9433  11.691  5.1969 11.200  5.0865 0.4914093      7.271917 
1 1 1 29 8  5  o 18.776  5.1136 3.4891   1.5459  6.8596   2.2954  0.6914   2.0912  25.870  5.8027 12.710  5.5506 13.16026       8.029969 
1 1 1 29 8  6  o 11.425  4.7711 0.7136   1.4255  0.7348   2.0466  0.6936   1.9866  12.689  5.5171 12.520  5.4397 0.1686401      7.747801 
1 1 1 29 8  7  o 9.7625  4.4082 -0.2423  1.4348  1.1379   2.0132  -1.6670  2.0454  13.257  5.6108 9.8846  4.7192 3.372773       7.331517 
1 1 1 29 8  8  o 23.738  4.1344 5.1389   1.4827  5.5731   2.1287  4.7298   2.0663  23.115  5.8650 21.101  5.9755 2.014076       8.372851 
1 1 1 29 8  9  o 9.6694  4.3771 -0.2778  1.4250  -0.6468  2.0145  0.0917   2.0160  10.813  5.0083 11.707  5.2614 -0.8945112     7.264029 
1 1 1 29 8  10 o 15.886  5.1943 2.5022   1.4895  2.3624   2.2767  2.6068   1.9695  15.584  6.2064 16.004  5.9218 -0.4203453     8.578270 
1 1 1 29 8  11 o 17.552  4.9761 3.0408   1.4321  2.2091   2.0039  3.9090   2.0474  15.154  5.8862 18.989  6.0801 -3.834953      8.462582 
1 1 1 29 8  12 o 53.591  2.1143 23.390   1.7763  23.374   2.5128  23.406   2.5114  52.425  3.0709 52.466  3.0668 -0.4126358E-01 4.339965 
1 1 1 29 8  13 o 12.159  4.9310 1.0559   1.4651  2.7161   2.1105  -0.4884  2.0354  16.162  6.0998 10.995  5.0722 5.166758       7.933178 
1 1 1 29 8  14 o 26.017  3.6988 6.0244   1.4661  5.8951   2.0465  6.1607   2.1013  24.013  5.5479 24.522  5.5904 -0.5090942     7.876011 
1 1 1 29 8  15 o 23.169  4.1829 4.9551   1.4633  4.0517   2.0481  5.8973   2.0916  19.212  6.0736 23.842  5.6774 -4.630054      8.313930 
1 1 1 29 8  16 o 30.565  3.1471 8.0470   1.4864  9.5627   2.1152  6.5682   2.0893  32.164  4.3027 25.500  5.3949 6.664789       6.900580 
1 1 1 29 8  17 o 16.474  4.9995 2.7214   1.4042  2.5981   2.0012  2.8409   1.9707  15.779  5.9433 16.319  5.9420 -0.5407572     8.404189 
1 1 1 29 8  18 o 9.6215  4.3942 -0.3522  1.4764  -0.0662  2.0007  -0.6942  2.1878  11.315  5.1474 11.013  5.1409 0.3020983      7.274895 
1 1 1 29 8  19 o 11.260  4.7383 0.7180   1.4226  -1.9781  1.9609  3.7145   2.0672  9.2536  4.4698 18.150  6.1247 -8.896220      7.582258 
1 1 1 29 8  20 o 30.391  3.2714 8.0657   1.5340  7.1542   2.1402  9.0287   2.1999  26.515  5.3337 30.578  4.7428 -4.062445      7.137369 
1 1 1 29 8  21 o 23.950  4.1104 5.3381   1.4877  5.6113   2.0928  5.0590   2.1151  22.714  5.8437 21.228  6.0576 1.486115       8.416883 
1 1 1 29 8  22 o 11.152  4.8304 0.5577   1.5570  -1.1400  2.2249  2.1869   2.1796  10.536  4.9994 14.729  5.9991 -4.192998      7.809127 
1 1 1 29 8  23 o 13.878  5.3510 1.8906   1.6466  2.4633   2.0779  0.9241   2.6995  15.143  5.9612 13.327  6.0295 1.815608       8.478868 
1 1 1 29 8  24 o 12.575  5.0790 1.3531   1.5476  0.9801   2.0316  1.8689   2.3887  12.521  5.4693 14.164  6.0568 -1.643084      8.160724 
1 1 1 29 8  25 o 15.628  5.5341 2.6887   1.6960  3.1264   2.4010  2.2528   2.3960  16.087  6.3840 14.644  6.1551 1.442473       8.867984 
1 1 1 29 8  26 f 15.751  5.6391 2.8033   1.7655  3.7627   2.1931  1.0363   2.9763  17.402  6.2786 13.429  6.1725 3.972100       8.804579 
1 1 1 29 9  0  o 9.7208  6.2235 0.5801   2.1341  0.5801   2.1341  0.5801   2.1341  9.7208  6.2235 9.7208  6.2235 0.000000       0.000000 
1 1 1 29 9  1  o 22.900  4.2078 4.8970   1.4549  4.3532   2.0462  5.4531   2.0690  19.746  6.0443 22.524  5.8185 -2.777311      8.389774 
1 1 1 29 9  2  o 9.0369  4.1909 -0.6307  1.4170  -1.2706  1.9952  0.0206   2.0128  9.9633  4.7294 11.410  5.1798 -1.446442      7.014106 
1 1 1 29 9  3  o 8.5379  4.0443 -1.1093  1.4439  -0.9388  1.9891  -1.2992  2.0993  10.270  4.8286 10.189  4.8408 0.8150673E-01  6.837340 
1 1 1 29 9  4  o 20.442  4.6940 4.0845   1.4725  4.9616   2.0494  3.1485   2.1171  21.279  5.9250 16.782  6.1514 4.497116       8.540844 
1 1 1 29 9  5  o 14.671  5.1477 2.1513   1.4646  1.8904   2.0862  2.4048   2.0567  14.299  5.8515 15.249  5.9521 -0.9499311     8.346697 
1 1 1 29 9  6  o 12.881  4.9501 1.4742   1.4057  1.4421   1.9631  1.5079   2.0138  13.394  5.5966 13.559  5.6673 -0.1656065     7.964969 
1 1 1 29 9  7  o 10.301  4.5082 0.2692   1.3862  1.8074   2.0010  -1.1501  1.9220  14.061  5.7398 9.8669  4.6716 4.193669       7.400602 
1 1 1 29 9  8  o 9.4574  4.3043 -0.2749  1.4011  1.5090   1.9920  -2.0216  1.9711  13.508  5.6405 9.2104  4.4568 4.297724       7.188711 
1 1 1 29 9  9  o 17.418  5.2299 3.1647   1.5426  1.7585   2.2963  4.3211   2.0824  14.159  5.9924 19.449  6.1214 -5.289862      8.566216 
1 1 1 29 9  10 o 19.961  4.7671 3.9561   1.4712  5.1511   2.1038  2.8123   2.0582  21.454  6.0134 15.966  6.0243 5.488761       8.511887 
1 1 1 29 9  11 o 12.967  4.9895 1.5305   1.4294  2.2995   2.0006  0.7286   2.0429  14.898  5.8542 12.295  5.4239 2.602846       7.980675 
1 1 1 29 9  12 o 13.559  5.1053 1.7694   1.4764  -0.7630  2.0782  4.3498   2.0978  10.558  4.9548 19.361  6.1497 -8.803583      7.897372 
1 1 1 29 9  13 o 11.794  4.8243 1.0426   1.4172  2.8941   1.9980  -0.8323  2.0105  16.059  5.9600 10.315  4.8511 5.744202       7.684764 
1 1 1 29 9  14 o 13.730  5.1943 1.8542   1.5327  1.2760   1.9962  2.6846   2.3923  12.965  5.5403 15.493  6.2946 -2.527336      8.385566 
1 1 1 29 9  15 o 37.824  3.1465 12.490   1.8488  12.314   2.5046  12.701   2.7404  35.627  4.5912 35.478  5.0715 0.1488228      6.840975 
1 1 1 29 9  16 o 7.8810  3.8444 -2.0304  1.5483  -4.1276  2.0737  0.6115   2.3275  8.0124  4.0032 12.392  5.6033 -4.379808      6.886411 
1 1 1 29 9  17 o 18.339  5.4550 3.7010   1.6840  5.0669   2.4363  2.4513   2.3304  19.873  6.6493 14.915  6.1535 4.958434       9.059689 
1 1 1 29 9  18 o 18.246  5.7963 3.8520   1.8636  1.5775   2.3470  7.7324   3.0656  13.537  5.8968 23.442  7.4328 -9.905907      9.487826 
1 1 1 29 9  19 o 12.347  5.2597 1.1806   1.7890  1.5830   2.3480  0.6235   2.7624  13.476  5.8833 12.759  5.8940 0.7161846      8.327815 
1 1 1 29 9  20 f 12.155  5.2088 1.1105   1.7735  1.8519   2.3908  0.2034   2.6445  13.793  5.9801 12.152  5.6656 1.641366       8.237765 
1 1 1 29 10 0  o 6.3479  4.5647 -3.1946  2.2143  -3.1946  2.2143  -3.1946  2.2143  6.3479  4.5647 6.3479  4.5647 0.000000       0.000000 
1 1 1 29 10 1  o 13.485  5.3113 1.8312   1.6502  1.9757   2.3183  1.6827   2.3494  14.010  5.9783 13.604  5.9131 0.4056873      8.408640 
1 1 1 29 10 2  o 15.773  5.4539 2.7865   1.6412  4.2980   2.3438  1.3325   2.2988  18.174  6.4983 13.082  5.7633 5.091312       8.685787 
1 1 1 29 10 3  o 14.207  5.4724 2.1637   1.7208  2.8875   2.2421  1.1262   2.6844  15.499  6.1633 13.172  5.9804 2.327091       8.587895 
1 1 1 29 10 4  f 10.918  5.0054 0.0372   1.9401  -0.5780  2.2312  1.9441   3.9281  10.808  5.0913 14.616  6.8440 -3.808107      8.530045 
1 1 1 29 10 5  o 12.935  5.5146 1.4518   1.9694  -0.1378  2.2912  5.9495   3.8539  11.331  5.2798 18.420  7.7775 -7.088876      9.400307 
1 1 1 29 10 6  o 12.968  5.6276 1.4011   2.1213  0.9997   2.5659  2.2678   3.7706  12.872  5.8455 14.758  6.8415 -1.886165      8.998652 
1 1 1 29 10 7  f 11.865  5.3195 0.6829   2.0477  0.3621   2.5812  1.2276   3.3635  12.204  5.6583 13.690  6.3850 -1.486476      8.531428 
1 1 1 29 10 8  o 10.614  5.1293 -1.5252  2.5896  -5.1411  3.5654  2.5124   3.7676  10.316  5.1680 14.872  6.8745 -4.555964      8.600439 
1 1 1 29 10 9  o 19.133  6.4536 4.7956   2.2952  4.8719   2.8512  4.6551   3.8687  18.100  7.0238 16.744  7.4213 1.355940       10.21809 
1 1 1 29 10 10 o 11.894  5.4570 0.4753   2.3119  -0.8980  2.9945  2.5016   3.6377  11.611  5.5871 14.725  6.7885 -3.114030      8.792031 
1 1 1 29 10 11 o 10.348  4.9218 -0.8374  2.1817  -0.8900  2.7604  -0.7498  3.5609  11.262  5.4049 12.303  5.9621 -1.040590      8.047344 
1 1 1 30 0  0  o 8.9046  6.0017 -0.9995  2.4172  -0.9995  2.4172  -0.9995  2.4172  8.9046  6.0017 8.9046  6.0017 0.000000       0.000000 
1 1 1 30 0  1  o 12.429  6.6395 1.8443   1.7645  1.8443   1.7645  1.8443   1.7645  12.429  6.6395 12.429  6.6395 0.000000       0.000000 
1 1 1 30 0  2  o 34.447  4.1226 9.8627   2.1419  9.8627   2.1419  9.8627   2.1419  34.447  4.1226 34.447  4.1226 0.000000       0.000000 
1 1 1 30 0  3  o 8.2007  5.3550 -0.1078  1.6878  -0.1078  1.6878  -0.1078  1.6878  8.2007  5.3550 8.2007  5.3550 0.000000       0.000000 
1 1 1 30 0  4  o 41.044  3.2201 13.602   2.0426  13.602   2.0426  13.602   2.0426  41.044  3.2201 41.044  3.2201 0.000000       0.000000 
1 1 1 30 0  5  o 6.4336  4.5075 -1.6989  1.7114  -1.6989  1.7114  -1.6989  1.7114  6.4336  4.5075 6.4336  4.5075 0.000000       0.000000 
1 1 1 30 0  6  o 53.891  2.6634 23.120   2.2376  23.120   2.2376  23.120   2.2376  53.891  2.6634 53.891  2.6634 0.000000       0.000000 
1 1 1 30 0  7  o 22.679  5.8614 4.8800   1.8010  4.8800   1.8010  4.8800   1.8010  22.679  5.8614 22.679  5.8614 0.000000       0.000000 
1 1 1 30 0  8  o 20.518  6.3919 4.2573   1.8022  4.2573   1.8022  4.2573   1.8022  20.518  6.3919 20.518  6.3919 0.000000       0.000000 
1 1 1 30 0  9  o 39.882  3.2024 12.859   1.9725  12.859   1.9725  12.859   1.9725  39.882  3.2024 39.882  3.2024 0.000000       0.000000 
1 1 1 30 0  10 o 22.351  5.8319 4.7556   1.7657  4.7556   1.7657  4.7556   1.7657  22.351  5.8319 22.351  5.8319 0.000000       0.000000 
1 1 1 30 0  11 o 36.947  3.3756 11.114   1.9176  11.114   1.9176  11.114   1.9176  36.947  3.3756 36.947  3.3756 0.000000       0.000000 
1 1 1 30 0  12 o 7.9993  5.2480 -0.1679  1.6492  -0.1679  1.6492  -0.1679  1.6492  7.9993  5.2480 7.9993  5.2480 0.000000       0.000000 
1 1 1 30 0  13 o 10.112  6.0323 0.9583   1.6871  0.9583   1.6871  0.9583   1.6871  10.112  6.0323 10.112  6.0323 0.000000       0.000000 
1 1 1 30 0  14 o 8.0758  5.3088 -0.1957  1.7000  -0.1957  1.7000  -0.1957  1.7000  8.0758  5.3088 8.0758  5.3088 0.000000       0.000000 
1 1 1 30 0  15 o 20.642  6.4752 4.3413   1.8393  4.3413   1.8393  4.3413   1.8393  20.642  6.4752 20.642  6.4752 0.000000       0.000000 
1 1 1 30 0  16 o 31.958  3.8116 8.4936   1.8379  8.4936   1.8379  8.4936   1.8379  31.958  3.8116 31.958  3.8116 0.000000       0.000000 
1 1 1 30 0  17 o 6.8736  4.7227 -1.0595  1.6549  -1.0595  1.6549  -1.0595  1.6549  6.8736  4.7227 6.8736  4.7227 0.000000       0.000000 
1 1 1 30 0  18 o 61.632  2.4947 30.194   2.4014  30.194   2.4014  30.194   2.4014  61.632  2.4947 61.632  2.4947 0.000000       0.000000 
1 1 1 30 0  19 f 12.592  6.7076 1.9385   1.7960  1.9385   1.7960  1.9385   1.7960  12.592  6.7076 12.592  6.7076 0.000000       0.000000 
1 1 1 30 0  20 f 48.951  3.0708 19.279   2.3352  19.279   2.3352  19.279   2.3352  48.951  3.0708 48.951  3.0708 0.000000       0.000000 
1 1 1 30 0  21 o 6.4120  4.5347 -2.1687  1.8634  -2.1687  1.8634  -2.1687  1.8634  6.4120  4.5347 6.4120  4.5347 0.000000       0.000000 
1 1 1 30 0  22 o 13.629  7.0762 2.3262   1.9599  2.3262   1.9599  2.3262   1.9599  13.629  7.0762 13.629  7.0762 0.000000       0.000000 
1 1 1 30 0  23 o 9.2334  5.8928 0.3250   1.8948  0.3250   1.8948  0.3250   1.8948  9.2334  5.8928 9.2334  5.8928 0.000000       0.000000 
1 1 1 30 0  24 o 10.698  6.5453 0.9931   2.0938  0.9931   2.0938  0.9931   2.0938  10.698  6.5453 10.698  6.5453 0.000000       0.000000 
1 1 1 30 0  25 o 7.4468  5.0876 -0.9707  1.8607  -0.9707  1.8607  -0.9707  1.8607  7.4468  5.0876 7.4468  5.0876 0.000000       0.000000 
1 1 1 30 0  26 o 10.224  6.2286 0.9327   1.8777  0.9327   1.8777  0.9327   1.8777  10.224  6.2286 10.224  6.2286 0.000000       0.000000 
1 1 1 30 0  27 o 14.248  7.1364 2.5875   1.9506  2.5875   1.9506  2.5875   1.9506  14.248  7.1364 14.248  7.1364 0.000000       0.000000 
1 1 1 30 0  28 o 9.0844  5.7954 0.3526   1.8305  0.3526   1.8305  0.3526   1.8305  9.0844  5.7954 9.0844  5.7954 0.000000       0.000000 
1 1 1 30 0  29 f 13.005  6.8242 2.1554   1.8376  2.1554   1.8376  2.1554   1.8376  13.005  6.8242 13.005  6.8242 0.000000       0.000000 
1 1 1 30 0  30 o 16.862  6.8272 3.3283   1.7655  3.3283   1.7655  3.3283   1.7655  16.862  6.8272 16.862  6.8272 0.000000       0.000000 
1 1 1 30 0  31 o 7.3377  5.0061 -0.8567  1.7875  -0.8567  1.7875  -0.8567  1.7875  7.3377  5.0061 7.3377  5.0061 0.000000       0.000000 
1 1 1 30 0  32 o 41.412  3.2646 14.032   2.0891  14.032   2.0891  14.032   2.0891  41.412  3.2646 41.412  3.2646 0.000000       0.000000 
1 1 1 30 0  33 o 16.266  7.8120 3.4716   2.3004  3.4716   2.3004  3.4716   2.3004  16.266  7.8120 16.266  7.8120 0.000000       0.000000 
1 1 1 30 0  34 o 38.876  3.5121 12.500   2.1002  12.500   2.1002  12.500   2.1002  38.876  3.5121 38.876  3.5121 0.000000       0.000000 
1 1 1 30 0  35 o 7.7389  5.2445 -0.6888  1.8951  -0.6888  1.8951  -0.6888  1.8951  7.7389  5.2445 7.7389  5.2445 0.000000       0.000000 
1 1 1 30 0  36 o 27.910  6.4057 7.5102   2.4406  7.5102   2.4406  7.5102   2.4406  27.910  6.4057 27.910  6.4057 0.000000       0.000000 
1 1 1 30 0  37 o 56.712  3.0667 26.091   2.7082  26.091   2.7082  26.091   2.7082  56.712  3.0667 56.712  3.0667 0.000000       0.000000 
1 1 1 30 0  38 o 10.966  6.6504 1.2746   2.1197  1.2746   2.1197  1.2746   2.1197  10.966  6.6504 10.966  6.6504 0.000000       0.000000 
1 1 1 30 0  39 f 23.177  7.5562 5.9268   2.4307  5.9268   2.4307  5.9268   2.4307  23.177  7.5562 23.177  7.5562 0.000000       0.000000 
1 1 1 30 0  40 o 13.051  7.4404 2.2753   2.3840  2.2753   2.3840  2.2753   2.3840  13.051  7.4404 13.051  7.4404 0.000000       0.000000 
1 1 1 30 0  41 o 10.777  6.5941 1.2144   2.1258  1.2144   2.1258  1.2144   2.1258  10.777  6.5941 10.777  6.5941 0.000000       0.000000 
1 1 1 30 0  42 o 8.6019  5.6760 -0.0226  1.9724  -0.0226  1.9724  -0.0226  1.9724  8.6019  5.6760 8.6019  5.6760 0.000000       0.000000 
1 1 1 30 0  43 o 11.400  6.6292 1.6546   1.9496  1.6546   1.9496  1.6546   1.9496  11.400  6.6292 11.400  6.6292 0.000000       0.000000 
1 1 1 30 0  44 o 21.433  6.8768 5.0610   2.0383  5.0610   2.0383  5.0610   2.0383  21.433  6.8768 21.433  6.8768 0.000000       0.000000 
1 1 1 30 0  45 o 11.255  6.5026 1.6634   1.8572  1.6634   1.8572  1.6634   1.8572  11.255  6.5026 11.255  6.5026 0.000000       0.000000 
1 1 1 30 0  46 o 10.806  6.5369 1.4265   2.0375  1.4265   2.0375  1.4265   2.0375  10.806  6.5369 10.806  6.5369 0.000000       0.000000 
1 1 1 30 1  0  o 7.9742  5.2847 -0.3394  1.7399  -0.3394  1.7399  -0.3394  1.7399  7.9742  5.2847 7.9742  5.2847 0.000000       0.000000 
1 1 1 30 1  1  o 19.617  4.5884 3.3566   1.3860  2.6959   1.9317  4.0575   1.9897  17.630  5.9206 21.136  5.8202 -3.506559      8.302324 
1 1 1 30 1  2  o 32.938  2.7606 8.7903   1.4123  9.0957   1.9178  8.4286   2.0874  33.058  3.7680 31.517  4.3400 1.540815       5.747442 
1 1 1 30 1  3  o 24.550  3.4418 5.0061   1.2882  3.9826   1.8226  6.0277   1.8210  21.053  5.4721 26.472  4.5521 -5.418736      7.117919 
1 1 1 30 1  4  o 53.094  1.9235 22.390   1.6010  25.202   2.3272  19.863   2.2060  55.999  2.6509 49.546  2.8522 6.453930       3.893909 
1 1 1 30 1  5  o 17.090  4.5694 2.5480   1.2479  2.3131   1.7707  2.7797   1.7588  16.541  5.6680 17.756  5.6301 -1.214659      7.989003 
1 1 1 30 1  6  o 23.030  3.7083 4.4574   1.2934  3.8262   1.8495  5.0616   1.8094  20.582  5.5883 23.993  4.9738 -3.411686      7.481150 
1 1 1 30 1  7  o 42.250  2.2334 14.286   1.4740  13.977   2.0975  14.588   2.0719  41.312  3.2653 42.272  3.1492 -0.9601250     4.536521 
1 1 1 30 1  8  o 11.790  4.5724 0.8465   1.2077  -0.0436  1.6823  1.7930   1.7349  11.403  4.9792 15.197  5.5688 -3.794137      7.470228 
1 1 1 30 1  9  o 9.1751  4.1320 -0.4692  1.2510  -0.0616  1.7680  -0.8779  1.7703  11.631  5.0908 10.484  4.7971 1.146841       6.994876 
1 1 1 30 1  10 o 32.906  2.6991 8.7763   1.3801  7.7531   1.9427  9.8187   1.9609  30.213  4.2166 34.340  3.7010 -4.127363      5.610448 
1 1 1 30 1  11 o 38.273  2.3231 11.762   1.3873  10.517   1.9639  13.002   1.9599  35.612  3.5657 39.852  3.1630 -4.240505      4.766461 
1 1 1 30 1  12 o 11.367  4.5561 0.6580   1.2349  -0.3662  1.6949  1.8169   1.8030  10.915  4.8706 15.299  5.6650 -4.383821      7.470919 
1 1 1 30 1  13 f 7.5054  3.5923 -1.5143  1.2011  0.0377   1.7194  -2.9933  1.6785  11.604  5.0510 8.0303  3.9355 3.573397       6.403185 
1 1 1 30 1  14 o 37.296  2.4608 11.217   1.4307  11.371   2.0519  11.072   1.9960  36.985  3.5839 36.522  3.5301 0.4628983      5.030523 
1 1 1 30 1  15 o 9.4519  4.2145 -0.3205  1.2666  0.6094   1.9045  -1.0580  1.6961  13.033  5.4832 9.9608  4.6072 3.071728       7.161844 
1 1 1 30 1  16 o 15.512  5.1334 2.0739   1.4532  2.6197   1.9841  1.4424   2.1342  17.268  5.9953 14.974  5.9939 2.294311       8.477623 
1 1 1 30 1  17 f 14.301  4.9864 1.6822   1.3732  1.0410   1.9726  2.2852   1.9129  13.909  5.6908 16.401  5.8699 -2.492286      8.175614 
1 1 1 30 1  18 o 42.990  2.4574 14.922   1.6493  12.858   2.2911  17.141   2.3760  39.123  3.7829 45.528  3.3526 -6.405552      5.054726 
1 1 1 30 1  19 o 18.647  5.1883 3.1656   1.5721  2.0654   2.2626  4.1926   2.1859  16.239  6.2694 20.973  6.2096 -4.734253      8.824075 
1 1 1 30 1  20 o 9.7568  4.3498 -0.2924  1.3488  0.9797   1.9842  -1.3851  1.8389  13.740  5.6743 9.9955  4.6812 3.744988       7.356040 
1 1 1 30 1  21 o 26.084  3.7269 5.7810   1.4806  9.3168   2.2132  2.9165   1.9921  32.745  4.4248 17.802  6.0123 14.94325       7.465034 
1 1 1 30 1  22 o 26.259  3.5624 5.8295   1.4286  5.1369   1.9894  6.5670   2.0529  23.507  5.4969 26.989  5.0371 -3.482950      7.455749 
1 1 1 30 1  23 o 31.293  2.8710 8.0580   1.3927  6.4971   1.9373  9.7276   2.0035  26.997  4.7510 33.798  3.8502 -6.801107      6.115173 
1 1 1 30 1  24 o 29.974  2.9764 7.4330   1.3801  8.4795   1.9765  6.4374   1.9279  31.317  4.1264 26.828  4.7582 4.489101       6.298233 
1 1 1 30 1  25 o 56.743  1.9073 25.736   1.6966  22.315   2.3191  29.675   2.4886  52.154  2.8472 60.408  2.6279 -8.254742      3.874571 
1 1 1 30 1  26 o 15.705  4.9317 2.2320   1.3525  3.1738   1.8131  1.0504   2.0307  18.273  5.7055 13.767  5.7172 4.506575       8.077053 
1 1 1 30 1  27 o 7.5827  3.6522 -1.6917  1.2868  -3.1060  1.7506  -0.0292  1.8980  8.0783  3.9711 11.732  5.1991 -3.653509      6.542136 
1 1 1 30 1  28 o 11.089  4.6632 0.4509   1.3763  2.5835   1.9816  -1.5368  1.9130  16.716  5.9753 9.9362  4.6910 6.780046       7.596704 
1 1 1 30 1  29 o 14.976  5.0736 2.0077   1.4186  3.7796   2.0614  0.4136   1.9553  19.540  6.0809 12.481  5.4095 7.058822       8.138799 
1 1 1 30 1  30 o 21.488  4.3764 4.1486   1.4242  4.9007   2.1076  3.5166   1.9320  22.292  5.9282 18.932  5.8861 3.359745       8.354028 
1 1 1 30 1  31 f 13.022  4.8674 1.3446   1.3372  2.3740   1.9632  0.4537   1.8264  16.117  5.9212 12.196  5.2570 3.921485       7.918127 
1 1 1 30 1  32 o 50.210  2.5733 20.644   2.0187  25.633   3.0804  16.889   2.6725  54.864  3.6015 44.199  3.8968 10.66543       5.306251 
1 1 1 30 1  33 o 28.681  3.4208 7.0118   1.5077  5.0923   2.3936  8.2744   1.9412  22.132  6.4825 30.636  4.1487 -8.503977      7.696383 
1 1 1 30 1  34 o 33.191  2.8967 9.1724   1.4921  12.891   2.3318  6.5938   1.9418  38.502  3.9179 26.786  4.8005 11.71595       6.196375 
1 1 1 30 1  35 o 48.199  2.1041 18.754   1.5898  18.616   2.3351  18.873   2.1706  47.064  3.1836 47.641  2.9205 -0.5773888     4.320249 
1 1 1 30 1  36 o 7.9802  3.8040 -1.3763  1.3183  -2.2701  2.0248  -0.7187  1.7369  9.4815  4.5704 10.191  4.6956 -0.7097673     6.552684 
1 1 1 30 1  37 o 17.505  4.6770 2.8710   1.3079  2.1274   1.8936  3.5493   1.8085  15.320  5.7790 18.864  5.6626 -3.543354      8.090812 
1 1 1 30 1  38 o 22.525  4.1078 4.5563   1.3971  2.6859   2.0511  6.1751   1.9082  16.544  6.0562 25.640  4.9264 -9.095169      7.806896 
1 1 1 30 1  39 o 15.393  4.8958 2.2423   1.3292  2.1752   1.9042  2.3060   1.8564  15.314  5.7906 15.583  5.7525 -0.2685919     8.162283 
1 1 1 30 1  40 o 24.494  3.8468 5.3278   1.4284  3.4177   1.9945  7.3395   2.0468  18.097  6.0152 27.927  4.8513 -9.829334      7.727686 
1 1 1 30 1  41 o 17.661  4.6622 2.9811   1.3098  2.1418   1.8316  3.8596   1.8738  15.045  5.6815 19.279  5.7586 -4.233674      8.089561 
1 1 1 30 1  42 o 26.811  3.3985 6.2591   1.3963  6.9375   2.0168  5.6344   1.9352  26.826  4.9791 23.777  5.3242 3.048828       7.289583 
1 1 1 30 1  43 o 18.110  4.7775 3.2099   1.3759  4.7845   1.9169  1.5363   1.9762  21.411  5.6345 13.754  5.6696 7.656974       7.993223 
1 1 1 30 1  44 o 8.8531  4.0810 -0.5266  1.3141  -0.1202  1.9078  -0.8934  1.8126  11.032  5.0216 9.8903  4.6369 1.141502       6.834985 
1 1 1 30 2  0  o 31.367  4.1959 8.3102   1.9597  8.3102   1.9597  8.3102   1.9597  31.367  4.1959 31.367  4.1959 0.000000       0.000000 
1 1 1 30 2  1  o 15.524  5.0622 2.0848   1.4151  1.7689   1.9680  2.4230   2.0361  15.356  5.8675 16.858  6.0537 -1.501981      8.430540 
1 1 1 30 2  2  o 27.037  3.4873 6.1075   1.4437  7.9768   2.1362  4.5361   1.9586  30.289  4.6472 22.208  5.6208 8.080791       7.293140 
1 1 1 30 2  3  o 17.682  4.6205 2.7688   1.2950  3.3144   1.8342  2.2266   1.8286  19.013  5.7016 16.214  5.7458 2.799765       8.094630 
1 1 1 30 2  4  o 19.114  4.3864 3.2052   1.2865  1.7943   1.8019  4.6724   1.8374  15.164  5.6536 22.724  5.2615 -7.560309      7.723151 
1 1 1 30 2  5  o 28.675  3.0419 6.7671   1.3465  5.8616   1.8663  7.7504   1.9447  25.791  4.7922 30.075  4.2426 -4.283442      6.400377 
1 1 1 30 2  6  o 29.404  2.9980 7.1050   1.3626  6.8423   1.9368  7.3625   1.9174  28.040  4.5630 29.255  4.3101 -1.215086      6.276790 
1 1 1 30 2  7  o 28.063  3.1492 6.5102   1.3615  7.5636   1.9689  5.5449   1.8848  29.610  4.3733 24.934  4.9961 4.676615       6.639766 
1 1 1 30 2  8  o 23.563  3.7664 4.7167   1.3444  7.1524   1.9407  2.4692   1.8642  28.723  4.4543 16.785  5.8123 11.93738       7.322795 
1 1 1 30 2  9  o 25.352  3.4929 5.3945   1.3513  7.3765   1.9644  3.6141   1.8618  29.175  4.4348 19.743  5.6986 9.431593       7.220920 
1 1 1 30 2  10 o 26.161  3.7750 5.8037   1.5034  7.0646   2.2244  4.7434   2.0398  27.998  5.2611 22.552  5.7517 5.446671       7.794904 
1 1 1 30 2  11 o 46.895  2.3149 17.664   1.7018  16.657   2.3871  18.705   2.4269  44.791  3.4255 47.591  3.2727 -2.800373      4.737615 
1 1 1 30 2  12 o 16.386  5.0294 2.4012   1.4157  0.6255   2.0370  4.0602   1.9689  13.261  5.6299 20.785  5.8145 -7.523698      8.093470 
1 1 1 30 2  13 o 32.170  3.4201 8.6432   1.6983  9.5979   2.3548  7.6084   2.4517  33.090  4.6693 28.721  5.6465 4.369076       7.326999 
1 1 1 30 2  14 o 20.725  4.9604 3.8957   1.5902  8.2228   2.3920  0.4690   2.1287  30.152  5.2513 13.187  5.6799 16.96484       7.735468 
1 1 1 30 2  15 o 13.233  5.0761 1.2521   1.4765  1.1356   2.0291  1.3832   2.1524  14.051  5.7630 14.710  5.9729 -0.6583300     8.299866 
1 1 1 30 2  16 o 38.622  3.1146 12.334   1.8698  13.023   2.5215  11.492   2.7869  38.891  4.2026 35.775  5.1148 3.116596       6.619922 
1 1 1 30 2  17 o 23.072  4.2034 4.6577   1.4643  7.5408   2.1834  2.3008   1.9741  28.940  4.9929 16.263  5.9432 12.67749       7.762170 
1 1 1 30 2  18 o 27.845  3.5905 6.5740   1.5308  5.0020   2.0691  8.4747   2.2752  22.920  5.7642 30.761  4.8811 -7.840845      7.553204 
1 1 1 30 2  19 o 20.664  4.4958 3.8236   1.4150  4.3585   1.9590  3.2402   2.0459  21.354  5.7320 18.411  6.0910 2.943607       8.363947 
1 1 1 30 2  20 o 39.960  2.5633 13.018   1.5972  10.284   2.1805  16.184   2.3463  34.467  4.1169 43.919  3.4352 -9.452259      5.361874 
1 1 1 30 2  21 o 9.2972  4.2614 -0.6702  1.4053  1.8169   2.0112  -3.0429  1.9644  15.145  5.8930 8.8207  4.3089 6.324486       7.300243 
1 1 1 30 2  22 o 30.321  3.1825 7.6950   1.4902  7.6283   2.1830  7.7531   2.0392  28.934  4.9932 29.511  4.5544 -0.5769291     6.758298 
1 1 1 30 2  23 o 15.415  4.9077 2.1569   1.3354  2.0457   2.0450  2.2395   1.7632  15.579  5.9745 15.788  5.6371 -0.2087393     8.214150 
1 1 1 30 2  24 o 9.6083  4.2732 -0.1895  1.2934  -2.3418  1.9405  1.5309   1.7349  9.2610  4.4667 14.097  5.4766 -4.836224      7.067205 
1 1 1 30 2  25 o 41.108  2.2744 13.705   1.4600  13.691   2.1205  13.717   2.0133  40.280  3.3895 40.475  3.1990 -0.1948128     4.660737 
1 1 1 30 2  26 o 22.663  3.7987 4.4755   1.3018  4.0141   1.8817  4.8991   1.8030  20.261  5.6899 22.826  5.1599 -2.564367      7.681108 
1 1 1 30 2  27 f 28.180  3.1252 6.6773   1.3573  6.3062   1.9461  7.0288   1.8942  26.140  4.9297 27.994  4.4662 -1.854408      6.651956 
1 1 1 30 2  28 o 14.446  4.8152 1.8783   1.2777  1.4314   1.8758  2.2652   1.7453  13.991  5.6126 15.693  5.6079 -1.701867      7.934095 
1 1 1 30 2  29 o 24.739  3.6326 5.2955   1.3668  4.5836   1.9512  5.9813   1.9153  21.568  5.6890 25.325  5.0017 -3.756971      7.575044 
1 1 1 30 2  30 o 18.059  4.5792 3.0181   1.2983  0.8942   1.8253  5.1927   1.8469  12.856  5.3862 23.393  5.1736 -10.53706      7.468436 
1 1 1 30 2  31 o 13.034  4.9582 1.3469   1.4014  0.3889   1.9303  2.4144   2.0377  12.229  5.3367 16.080  6.0088 -3.851727      8.036596 
1 1 1 30 2  32 o 19.805  4.6724 3.6514   1.4272  3.3207   2.0628  3.9551   1.9767  18.096  6.1180 19.759  5.9174 -1.663200      8.511533 
1 1 1 30 2  33 o 25.997  3.7918 5.9195   1.4998  5.3555   2.1125  6.4929   2.1298  23.094  5.8333 25.918  5.4164 -2.824804      7.960213 
1 1 1 30 2  34 o 14.048  5.1638 1.7332   1.4934  2.2088   2.0218  1.1621   2.2154  15.525  5.9436 13.860  5.8769 1.665531       8.358478 
1 1 1 30 2  35 o 30.188  3.2085 7.7572   1.4952  9.3698   2.1070  6.1216   2.1220  32.282  4.2681 24.887  5.5771 7.395573       7.022880 
1 1 1 30 2  36 o 30.520  3.3839 8.0140   1.5918  10.558   2.3050  5.6950   2.2008  34.070  4.4198 23.519  5.9612 10.55072       7.420886 
1 1 1 30 2  37 o 13.110  4.8825 1.4731   1.3431  1.7470   1.8376  1.1588   1.9680  14.255  5.6078 13.317  5.5868 0.9379168      7.915802 
1 1 1 30 2  38 o 10.484  4.5382 0.2904   1.3726  0.6146   1.8320  -0.1245  2.0723  12.119  5.2445 11.592  5.2599 0.5273676      7.427707 
1 1 1 30 2  39 o 11.527  4.7162 0.8507   1.3548  -0.7161  1.7658  3.0927   2.1123  10.070  4.6728 17.010  6.1582 -6.940854      7.730360 
1 1 1 30 2  40 o 24.325  3.7661 5.3071   1.3898  5.5892   1.8609  4.9513   2.0898  23.731  5.1501 21.396  5.9921 2.335007       7.901143 
1 1 1 30 2  41 o 12.194  4.8250 1.1863   1.3677  -0.1381  1.7899  3.0447   2.1203  10.740  4.8792 16.628  6.1460 -5.887720      7.847234 
1 1 1 30 2  42 o 24.157  3.7828 5.3031   1.3855  7.9306   1.9505  2.6274   1.9683  28.910  4.4462 15.638  5.8935 13.27203       7.382590 
1 1 1 30 3  0  o 41.452  4.9453 14.610   3.0928  14.610   3.0928  14.610   3.0928  41.452  4.9453 41.452  4.9453 0.000000       0.000000 
1 1 1 30 3  1  f 16.382  5.7728 2.3831   1.8432  4.8914   2.5548  -0.3399  2.6619  22.094  6.7522 13.277  5.9988 8.816986       9.032082 
1 1 1 30 3  2  o 39.045  3.4107 12.738   2.0667  11.243   2.7345  14.730   3.1561  35.397  5.0729 40.571  5.0732 -5.174335      7.174352 
1 1 1 30 3  3  o 21.344  5.6825 4.3092   1.9351  4.7903   2.7493  3.8369   2.7241  21.697  7.0552 19.753  7.0118 1.943720       9.946857 
1 1 1 30 3  4  o 35.409  3.8659 10.678   2.1110  9.0322   2.8759  12.601   3.1086  30.734  6.1832 37.075  5.5165 -6.341288      8.286378 
1 1 1 30 3  5  o 46.587  3.3381 18.071   2.4218  21.054   3.5161  15.377   3.3405  49.025  4.6297 41.207  5.2936 7.818077       7.032520 
1 1 1 30 3  6  o 31.851  5.1652 9.1913   2.4907  12.606   3.6013  6.0598   3.4486  35.931  6.6380 23.591  7.9108 12.33954       10.32686 
1 1 1 30 3  7  o 34.322  4.4117 10.290   2.3188  15.887   3.9024  7.2360   2.8829  40.752  6.3125 26.782  6.8417 13.96997       9.308889 
1 1 1 30 3  8  o 47.314  2.8023 18.336   2.0693  19.310   3.3025  17.706   2.6551  46.974  4.5414 45.741  3.7353 1.232933       5.880204 
1 1 1 30 3  9  o 20.529  5.1166 3.8959   1.6408  0.9524   2.3949  6.4996   2.2524  14.325  6.0935 26.295  5.6336 -11.97078      8.298747 
1 1 1 30 3  10 o 52.701  2.3705 22.436   1.9585  26.199   2.8058  18.860   2.7350  56.194  3.1982 47.186  3.7277 9.008476       4.911629 
1 1 1 30 3  11 o 9.3852  4.2976 -0.6660  1.4245  -1.1150  1.9819  -0.1861  2.0490  10.630  4.9388 11.941  5.3396 -1.310992      7.273420 
1 1 1 30 3  12 o 11.062  4.6720 0.3997   1.3912  4.1555   2.1336  -2.3778  1.8348  20.558  6.1459 8.9377  4.3188 11.62013       7.511592 
1 1 1 30 3  13 o 26.321  3.6573 5.9251   1.4683  5.6631   2.1772  6.1437   1.9886  24.275  5.8004 25.866  5.0855 -1.591528      7.714070 
1 1 1 30 3  14 o 13.101  4.9709 1.3012   1.4063  4.1448   2.1003  -1.0093  1.8932  20.506  6.0904 10.455  4.8471 10.05077       7.783732 
1 1 1 30 3  15 o 18.983  4.7624 3.3085   1.4149  5.3855   2.1418  1.7005   1.8846  23.577  5.8280 14.702  5.7090 8.874886       8.158311 
1 1 1 30 3  16 o 54.048  2.0906 23.491   1.7714  24.536   2.6365  22.631   2.3916  54.340  3.1078 52.351  2.9259 1.988873       4.268386 
1 1 1 30 3  17 o 30.013  3.2000 7.5637   1.4824  7.7366   2.2079  7.4218   2.0003  29.034  5.0332 28.774  4.5886 0.2599506      6.810899 
1 1 1 30 3  18 o 31.158  3.0635 8.1099   1.4770  6.3057   2.1398  9.7517   2.0413  25.784  5.4637 33.532  3.9597 -7.748564      6.747627 
1 1 1 30 3  19 o 27.067  3.4898 6.2539   1.4463  6.4619   2.1267  6.0748   1.9728  26.162  5.3654 25.554  5.1032 0.6084270      7.404743 
1 1 1 30 3  20 o 11.798  4.7839 0.8109   1.3787  3.1202   2.0504  -1.0950  1.8627  17.826  6.0993 10.194  4.7536 7.631515       7.732963 
1 1 1 30 3  21 o 24.514  3.8738 5.2514   1.4392  5.4306   2.1794  5.1128   1.9166  23.392  5.9338 23.118  5.3880 0.2740803      8.015071 
1 1 1 30 3  22 o 27.081  3.4175 6.2596   1.4185  9.0664   2.2147  4.3071   1.8471  31.705  4.5895 21.039  5.5283 10.66570       7.185081 
1 1 1 30 3  23 o 12.344  4.8234 1.0891   1.3518  2.5765   2.1406  0.1025   1.7434  16.526  6.1620 11.375  5.0147 5.151250       7.944688 
1 1 1 30 3  24 o 14.851  4.9950 2.0169   1.3749  1.5136   2.0945  2.3982   1.8227  14.399  5.8745 15.987  5.7290 -1.587128      8.205553 
1 1 1 30 3  25 o 13.008  4.9068 1.3579   1.3652  1.8272   2.1011  1.0151   1.7959  14.952  5.9600 12.998  5.3855 1.954097       8.032718 
1 1 1 30 3  26 o 33.993  2.7734 9.5936   1.4651  11.042   2.1923  8.4250   1.9694  35.448  4.0159 30.783  4.1899 4.664995       5.803705 
1 1 1 30 3  27 o 24.984  3.6995 5.4432   1.4052  5.6339   2.0589  5.2769   1.9225  23.957  5.5851 23.350  5.3648 0.6072121      7.744302 
1 1 1 30 3  28 o 28.571  3.2098 6.9344   1.4128  5.0578   2.0314  8.6925   1.9662  22.490  5.7419 31.299  4.1063 -8.809496      7.059073 
1 1 1 30 3  29 o 16.131  4.9594 2.4734   1.3759  2.3191   2.0499  2.5998   1.8560  15.771  5.9974 16.341  5.7891 -0.5701828     8.335588 
1 1 1 30 3  30 o 45.229  2.3654 16.740   1.6714  19.744   2.3965  13.895   2.3322  48.326  3.1811 39.929  3.7705 8.397678       4.933138 
1 1 1 30 3  31 o 12.450  4.9050 1.1468   1.4079  1.9806   2.2100  0.5774   1.8264  15.145  6.0862 12.171  5.2518 2.973026       8.038873 
1 1 1 30 3  32 o 21.667  4.3217 4.3084   1.4165  2.7241   2.1186  5.5893   1.9049  16.492  6.1340 23.997  5.2127 -7.504440      8.049778 
1 1 1 30 3  33 o 14.279  5.2315 1.8657   1.5310  0.0257   2.4948  2.9771   1.9390  12.672  5.7581 17.026  5.9258 -4.354614      8.262656 
1 1 1 30 3  34 o 19.412  4.6169 3.5783   1.3845  3.7461   2.0267  3.4315   1.8958  18.740  6.0543 18.106  5.8563 0.6339340      8.423254 
1 1 1 30 3  35 o 19.637  4.6144 3.6776   1.3965  4.2418   2.1097  3.2377   1.8631  19.742  6.1530 17.561  5.8125 2.181419       8.464307 
1 1 1 30 3  36 o 11.570  4.7714 0.8431   1.4003  1.9343   2.2137  0.1151   1.8081  14.702  6.0234 11.219  5.0166 3.482387       7.838840 
1 1 1 30 3  37 o 17.551  4.9023 3.0637   1.4007  4.9829   2.0456  1.3696   1.9219  21.515  5.8919 13.345  5.5537 8.169479       8.096833 
1 1 1 30 3  38 o 26.344  3.5535 6.1745   1.4301  8.3621   2.0565  4.1256   1.9902  29.639  4.5730 19.277  5.9709 10.36223       7.520922 
1 1 1 30 3  39 o 10.672  4.4955 0.6122   1.2827  -0.8597  1.7993  2.1333   1.8292  9.8165  4.6079 14.550  5.6315 -4.733167      7.276449 
1 1 1 30 4  0  o 13.538  7.3633 2.3596   2.2071  2.3596   2.2071  2.3596   2.2071  13.538  7.3633 13.538  7.3633 0.000000       0.000000 
1 1 1 30 4  1  o 42.073  2.7197 14.548   1.7842  14.899   2.4517  14.154   2.6014  41.690  3.7928 40.265  4.1823 1.425293       5.645961 
1 1 1 30 4  2  o 23.913  4.7770 5.2208   1.7281  3.0881   2.2229  8.4786   2.7474  17.826  6.3333 29.369  6.1639 -11.54202      8.837672 
1 1 1 30 4  3  o 19.086  5.2117 3.4451   1.6033  2.8580   2.1886  4.1252   2.3554  17.318  6.2686 20.093  6.5300 -2.775728      9.051843 
1 1 1 30 4  4  o 41.901  2.4541 14.311   1.6050  12.846   2.2399  15.856   2.3009  38.732  3.7352 43.355  3.4128 -4.623043      5.059594 
1 1 1 30 4  5  o 79.955  1.7940 51.098   2.2486  49.421   3.2656  52.610   3.1009  77.711  2.6805 80.449  2.4588 -2.737686      3.637429 
1 1 1 30 4  6  o 26.705  3.5880 6.1124   1.4641  5.9027   2.1209  6.3034   2.0236  24.810  5.5875 26.029  5.1415 -1.219103      7.593083 
1 1 1 30 4  7  o 13.026  4.9253 1.3185   1.3775  0.0197   2.0826  2.3287   1.8368  12.170  5.4170 15.964  5.7479 -3.793918      7.898232 
1 1 1 30 4  8  o 8.0078  3.8013 -1.2886  1.2891  -1.9663  2.0237  -0.8258  1.6724  9.8128  4.6875 9.9361  4.5885 -0.1232557     6.559430 
1 1 1 30 4  9  o 25.952  3.3821 5.7314   1.3433  4.9892   1.9228  6.4388   1.8773  22.817  5.4504 26.649  4.6635 -3.831594      7.173172 
1 1 1 30 4  10 o 51.399  2.0017 21.235   1.6129  20.472   2.3230  21.946   2.2411  49.630  2.9999 51.595  2.7810 -1.965317      4.090670 
1 1 1 30 4  11 o 16.785  4.6981 2.6072   1.2851  3.7428   1.8404  1.5268   1.7951  19.540  5.6732 14.091  5.5428 5.449835       7.931380 
1 1 1 30 4  12 o 20.046  4.1439 3.5945   1.2592  2.6029   1.7699  4.6109   1.7919  16.551  5.6667 22.001  5.2655 -5.450546      7.735435 
1 1 1 30 4  13 o 18.705  4.3471 3.1799   1.2505  5.6396   1.7504  0.6165   1.7870  24.850  4.6646 12.329  5.2545 12.52154       7.026235 
1 1 1 30 4  14 o 23.020  3.7482 4.6215   1.3061  5.1815   1.8590  4.0756   1.8354  23.373  5.2068 20.399  5.5788 2.973949       7.631150 
1 1 1 30 4  15 o 16.142  4.6409 2.4135   1.2370  1.7475   1.7340  3.1036   1.7652  14.431  5.5093 17.804  5.6397 -3.372602      7.884044 
1 1 1 30 4  16 o 15.464  4.6942 2.2116   1.2378  3.2494   1.7663  1.2101   1.7351  18.179  5.6242 13.281  5.3732 4.897292       7.778385 
1 1 1 30 4  17 o 16.144  4.7452 2.4327   1.2806  3.0916   1.8096  1.7717   1.8124  17.702  5.7211 14.534  5.6112 3.167656       8.013529 
1 1 1 30 4  18 o 12.884  4.7435 1.3699   1.2608  1.9586   1.8129  0.8184   1.7547  14.923  5.6484 12.545  5.2698 2.378366       7.724916 
1 1 1 30 4  19 o 23.793  3.6228 4.9221   1.3086  6.1748   1.8528  3.6751   1.8485  25.858  4.7456 19.173  5.7180 6.684978       7.430765 
1 1 1 30 4  20 o 9.5349  4.2150 -0.0706  1.2400  1.8195   1.7854  -1.8321  1.7235  14.555  5.5822 8.9277  4.2810 5.627554       7.034766 
1 1 1 30 4  21 o 14.641  4.8360 1.9755   1.2899  1.4001   1.8022  2.5798   1.8469  13.684  5.4972 16.317  5.7755 -2.632945      7.973419 
1 1 1 30 4  22 o 15.466  4.8498 2.2473   1.3084  1.0260   1.8399  3.4967   1.8610  13.021  5.4276 18.609  5.7755 -5.588451      7.925586 
1 1 1 30 4  23 o 9.0179  4.0902 -0.3881  1.2514  -1.2494  1.7088  0.6081   1.8377  9.4439  4.4509 12.284  5.2842 -2.839798      6.908954 
1 1 1 30 4  24 o 17.059  4.7079 2.7505   1.3002  1.9248   1.8544  3.5490   1.8235  14.767  5.6829 18.742  5.6995 -3.974961      8.048577 
1 1 1 30 4  25 o 16.230  4.7585 2.4981   1.2892  1.8816   1.8136  3.1278   1.8328  14.614  5.6211 17.589  5.7624 -2.975208      8.049992 
1 1 1 30 4  26 o 24.761  3.6291 5.3662   1.3669  8.0450   1.9912  2.9786   1.8798  29.717  4.4078 17.145  5.8402 12.57214       7.316852 
1 1 1 30 4  27 o 55.403  1.9165 24.752   1.6645  26.156   2.4090  23.469   2.3026  56.143  2.7371 53.080  2.7768 3.062859       3.899026 
1 1 1 30 4  28 o 32.722  2.7542 8.9526   1.3997  11.695   1.9994  6.3161   1.9602  36.735  3.5147 25.642  5.0560 11.09332       6.157623 
1 1 1 30 4  29 o 41.960  2.2806 14.426   1.4945  14.256   2.1357  14.589   2.0921  40.682  3.3794 41.285  3.2590 -0.6026917     4.694831 
1 1 1 30 4  30 o 33.423  2.7408 9.3604   1.4234  11.460   2.0190  7.2859   2.0070  36.180  3.6079 27.733  4.7896 8.447319       5.996435 
1 1 1 30 4  31 o 12.863  4.8130 1.4339   1.3082  2.0765   1.8555  0.7989   1.8445  14.795  5.6869 12.371  5.3071 2.424245       7.778568 
1 1 1 30 4  32 o 38.135  2.5906 12.132   1.5396  11.242   2.2446  12.924   2.1157  35.105  4.1595 38.369  3.5578 -3.264088      5.473509 
1 1 1 30 4  33 o 26.420  3.4795 6.1547   1.4061  6.5747   2.0412  5.7755   1.9396  25.619  5.2586 23.902  5.3141 1.716997       7.476130 
1 1 1 30 4  34 o 24.030  3.8402 5.2452   1.3979  6.2038   1.8813  4.0636   2.0888  25.086  4.9597 18.942  6.1491 6.143894       7.899991 
1 1 1 30 4  35 o 13.245  4.9498 1.6403   1.3828  0.5487   1.8818  2.9216   2.0387  11.801  5.2058 16.232  6.0213 -4.431532      7.959701 
1 1 1 30 4  36 o 8.9465  4.1250 -0.4697  1.3437  -1.5120  1.9544  0.4647   1.8504  9.5348  4.5685 11.542  5.1233 -2.007166      6.864381 
1 1 1 30 5  0  o 22.921  6.2883 5.2505   1.9537  5.2505   1.9537  5.2505   1.9537  22.921  6.2883 22.921  6.2883 0.000000       0.000000 
1 1 1 30 5  1  o 9.7148  4.3181 -0.1267  1.3188  0.4740   1.8127  -0.8021  1.9222  12.076  5.2214 10.613  4.9074 1.463577       7.165628 
1 1 1 30 5  2  o 31.286  2.9485 8.1960   1.4291  8.5272   1.9381  7.8014   2.1156  31.055  4.0797 29.077  4.8094 1.978378       6.306712 
1 1 1 30 5  3  o 22.357  3.9256 4.4262   1.3257  4.9499   1.8955  3.9248   1.8547  22.553  5.4270 19.842  5.6761 2.710302       7.853054 
1 1 1 30 5  4  o 47.154  2.1219 17.979   1.5685  17.082   2.2843  18.780   2.1576  44.938  3.2648 47.481  2.9128 -2.542747      4.375270 
1 1 1 30 5  5  o 32.864  2.7275 8.9596   1.3925  8.2000   1.9294  9.7855   2.0118  30.367  4.1625 33.423  3.9137 -3.055702      5.713425 
1 1 1 30 5  6  o 31.065  2.9717 8.0947   1.4296  9.8991   2.1191  6.5877   1.9366  33.415  4.1335 26.656  4.8114 6.759367       6.343117 
1 1 1 30 5  7  o 26.172  3.5220 5.9160   1.4084  5.0593   2.0056  6.7495   1.9782  22.564  5.6751 26.934  4.8641 -4.369387      7.474350 
1 1 1 30 5  8  o 14.450  4.9754 1.9034   1.3651  2.4314   1.9942  1.4377   1.8727  16.018  5.9525 13.864  5.5915 2.154469       8.166866 
1 1 1 30 5  9  o 22.734  4.1005 4.6304   1.4076  3.9899   1.9146  5.3841   2.0767  19.870  5.7913 23.222  5.7378 -3.352703      8.152399 
1 1 1 30 5  10 o 35.961  2.9188 10.817   1.6313  9.5944   2.1744  12.391   2.4672  32.650  4.3568 37.190  4.3118 -4.539993      6.129694 
1 1 1 30 5  11 o 9.9670  4.4489 -0.1476  1.4155  -0.1986  1.8968  -0.0835  2.1264  11.250  5.0752 11.944  5.3822 -0.6937790     7.397646 
1 1 1 30 5  12 o 26.457  3.7019 6.1150   1.4933  4.6935   1.9857  7.9658   2.2657  21.566  5.7631 28.941  5.1843 -7.374929      7.751781 
1 1 1 30 5  13 o 23.452  4.2470 4.9771   1.5039  3.8765   2.0347  6.3024   2.2327  19.347  6.0448 25.080  5.7950 -5.733225      8.373919 
1 1 1 30 5  14 o 15.547  5.1770 2.3010   1.4771  2.5452   1.9978  2.0065   2.1939  16.188  5.9692 15.217  6.0821 0.9703779      8.521933 
1 1 1 30 5  15 o 23.568  4.1664 5.0091   1.4831  7.2746   2.1531  2.9639   2.0457  27.604  5.1654 17.109  6.0759 10.49447       7.974885 
1 1 1 30 5  16 o 10.324  4.4869 0.1910   1.3524  0.1600   1.9971  0.2173   1.8379  11.923  5.3061 11.644  5.1402 0.2795954      7.387533 
1 1 1 30 5  17 o 12.934  5.0382 1.3129   1.4713  1.8881   2.4960  1.0066   1.8213  15.237  6.3340 12.884  5.3879 2.353191       8.315591 
1 1 1 30 5  18 o 16.638  4.9415 2.6644   1.3827  6.0219   2.1896  0.4373   1.7833  24.378  5.8116 11.834  5.1477 12.54339       7.763597 
1 1 1 30 5  19 o 23.286  4.1134 4.8960   1.4467  4.1100   2.1509  5.5453   1.9550  19.636  6.2259 23.748  5.3764 -4.112152      8.226044 
1 1 1 30 5  20 o 11.190  4.6993 0.6004   1.3946  1.2621   2.1583  0.1261   1.8273  13.792  5.8217 11.436  5.0829 2.356086       7.728407 
1 1 1 30 5  21 o 30.954  3.0420 8.1230   1.4571  7.9161   2.0852  8.3204   2.0368  29.100  4.7337 30.119  4.4476 -1.019159      6.495317 
1 1 1 30 5  22 o 31.299  3.0671 8.3233   1.4856  8.6973   2.1049  7.9521   2.0971  30.713  4.5057 29.109  4.7601 1.604519       6.554410 
1 1 1 30 5  23 o 33.050  2.8170 9.1741   1.4456  8.4818   2.1420  9.7533   1.9592  30.108  4.6909 33.178  3.8376 -3.069899      6.060690 
1 1 1 30 5  24 o 33.716  2.8726 9.5825   1.5039  10.682   2.2099  8.6337   2.0524  34.320  4.1947 30.624  4.4015 3.696003       6.080193 
1 1 1 30 5  25 o 34.979  2.7335 10.256   1.4870  9.4129   2.1558  11.020   2.0539  31.918  4.4277 35.272  3.7729 -3.354805      5.817108 
1 1 1 30 5  26 o 29.878  3.1651 7.6755   1.4599  9.0909   2.1568  6.4787   1.9834  31.181  4.5459 25.728  5.0977 5.453827       6.830270 
1 1 1 30 5  27 o 23.042  3.9290 4.8202   1.3684  3.2230   1.9322  6.4271   1.9381  17.314  5.9209 25.663  4.9971 -8.349365      7.747828 
1 1 1 30 5  28 o 15.058  4.8877 2.2322   1.3197  0.3486   1.8002  4.4207   1.9404  11.476  5.0756 20.287  5.8066 -8.811255      7.712203 
1 1 1 30 5  29 o 45.814  2.1753 17.203   1.5623  17.071   2.2171  17.334   2.2019  44.438  3.2041 44.847  3.1519 -0.4089127     4.494568 
1 1 1 30 5  30 o 13.223  4.8579 1.6350   1.3214  0.5014   1.8298  2.8704   1.9103  11.660  5.1392 16.237  5.8597 -4.576687      7.794035 
1 1 1 30 5  31 o 16.475  5.1193 2.8178   1.4617  5.2028   2.4558  1.5095   1.8189  20.583  6.6661 13.269  5.4509 7.313993       8.611026 
1 1 1 30 5  32 o 19.786  5.1326 4.0722   1.6056  5.3070   2.2942  2.8868   2.2479  21.069  6.3898 15.877  6.2155 5.191630       8.914152 
1 1 1 30 5  33 o 14.154  5.4012 2.0656   1.6663  1.9707   2.2855  2.1732   2.4346  14.176  5.9878 14.546  6.1639 -0.3694363     8.593420 
1 1 1 30 6  0  o 6.6592  4.6854 -1.8607  1.9090  -1.8607  1.9090  -1.8607  1.9090  6.6592  4.6854 6.6592  4.6854 0.000000       0.000000 
1 1 1 30 6  1  o 16.409  4.8529 2.5850   1.3357  2.6093   1.8473  2.5583   1.9336  16.215  5.7722 16.096  5.8820 0.1186752      8.241100 
1 1 1 30 6  2  o 25.043  3.8597 5.5696   1.4666  6.8685   2.0658  4.2496   2.0825  26.756  5.1114 20.058  6.0889 6.698420       7.949889 
1 1 1 30 6  3  o 24.566  3.6881 5.3110   1.3765  3.3211   1.9226  7.4037   1.9716  17.919  5.9034 28.275  4.6067 -10.35558      7.488081 
1 1 1 30 6  4  o 24.878  3.6184 5.4244   1.3698  4.9840   1.9382  5.8639   1.9362  22.270  5.5670 24.597  5.1849 -2.326958      7.607541 
1 1 1 30 6  5  o 24.155  3.6481 5.1273   1.3384  7.0391   1.9358  3.3767   1.8524  27.508  4.6551 18.121  5.7814 9.386923       7.422552 
1 1 1 30 6  6  o 9.8629  4.3307 0.0644   1.2884  2.9742   1.8501  -2.6759  1.7954  17.088  5.7939 8.3787  4.0985 8.709406       7.096990 
1 1 1 30 6  7  o 11.086  4.6277 0.6179   1.3403  0.4599   1.9006  0.7743   1.8905  12.082  5.2835 12.555  5.3790 -0.4729776     7.539850 
1 1 1 30 6  8  o 16.406  4.8931 2.5971   1.3536  0.3278   1.9225  4.8282   1.9063  11.926  5.2615 21.898  5.5467 -9.971654      7.645216 
1 1 1 30 6  9  f 20.035  4.4352 3.7401   1.3562  6.1985   1.9429  1.4037   1.8940  25.396  5.0578 13.645  5.5788 11.75102       7.530238 
1 1 1 30 6  10 o 22.714  3.9593 4.6361   1.3586  4.0029   1.9618  5.2197   1.8833  19.557  5.9037 22.987  5.3298 -3.430161      7.953679 
1 1 1 30 6  11 o 9.8064  4.3614 -0.0635  1.3473  -2.5101  1.9980  1.9770   1.8246  9.0909  4.4195 14.702  5.6422 -5.611476      7.167018 
1 1 1 30 6  12 o 42.640  2.3061 14.908   1.5358  16.658   2.2206  13.303   2.1265  44.169  3.2293 39.174  3.4995 4.995274       4.761821 
1 1 1 30 6  13 o 23.095  3.9147 4.7878   1.3667  4.4354   1.8896  5.1743   1.9790  20.789  5.6503 22.556  5.6178 -1.766499      7.967801 
1 1 1 30 6  14 o 23.902  3.7878 5.0871   1.3720  6.9815   1.9241  3.1276   1.9569  27.287  4.6656 17.286  5.9567 10.00064       7.566362 
1 1 1 30 6  15 o 16.468  4.8011 2.6268   1.3156  2.5908   1.8742  2.6617   1.8473  16.024  5.8007 16.196  5.7714 -0.1719456     8.182738 
1 1 1 30 6  16 o 31.101  3.0253 8.2287   1.4563  7.8066   2.1341  8.5966   1.9923  28.546  4.9482 30.682  4.2569 -2.136038      6.527273 
1 1 1 30 6  17 o 11.244  4.7327 0.6444   1.4198  0.8583   1.9538  0.4051   2.0668  12.672  5.4500 12.212  5.4179 0.4605684      7.684752 
1 1 1 30 6  18 o 23.998  3.7863 5.1543   1.3772  4.1078   1.9862  6.1235   1.9114  19.560  5.9483 25.069  5.0383 -5.509514      7.795341 
1 1 1 30 6  19 o 13.038  4.9030 1.4917   1.3608  0.6552   1.9193  2.3372   1.9297  12.245  5.3334 15.334  5.8219 -3.089080      7.895546 
1 1 1 30 6  20 o 38.871  2.6764 12.659   1.6210  11.489   2.2237  13.986   2.3680  35.593  4.0577 39.528  3.8710 -3.935040      5.607998 
1 1 1 30 6  21 f 17.078  5.1182 2.9501   1.4784  2.1050   1.9933  3.9833   2.2041  14.790  5.8335 18.734  6.3242 -3.944023      8.603738 
1 1 1 30 6  22 o 14.498  5.0831 2.0611   1.4279  1.9255   1.8352  2.2691   2.2732  14.294  5.6102 15.161  6.1444 -0.8669786     8.320359 
1 1 1 30 6  23 o 11.867  4.8408 1.0124   1.4219  1.5760   1.8543  0.2080   2.2154  13.567  5.5303 12.032  5.4512 1.534610       7.765279 
1 1 1 30 6  24 o 22.123  4.5578 4.7199   1.5281  4.6314   2.0695  4.8260   2.2660  20.318  6.0479 20.330  6.3835 -0.1158714E-01 8.793566 
1 1 1 30 6  25 o 9.8201  4.4329 -0.1125  1.4497  -3.4559  1.8597  5.0663   2.3146  7.8749  3.9110 20.669  6.4453 -12.79406      7.539117 
1 1 1 30 6  26 o 13.137  5.3326 1.5117   1.7151  2.8947   2.1696  -0.7923  2.8004  15.993  6.1489 11.869  5.6252 4.123331       8.333813 
1 1 1 30 6  27 o 12.619  5.2044 1.3067   1.6663  1.1514   2.2880  1.4821   2.4314  13.083  5.7572 13.669  5.9767 -0.5856905     8.298590 
1 1 1 30 6  28 o 12.539  5.4158 1.1090   1.9463  0.2691   2.9149  1.7846   2.6144  12.760  5.9488 14.091  6.1785 -1.331253      8.576876 
1 1 1 30 6  29 o 11.258  5.0903 0.2933   1.9207  1.6295   2.6770  -1.1243  2.7574  13.815  6.1458 11.310  5.4212 2.504691       8.195157 
1 1 1 30 7  0  o 17.856  7.5826 4.0076   2.1539  4.0076   2.1539  4.0076   2.1539  17.856  7.5826 17.856  7.5826 0.000000       0.000000 
1 1 1 30 7  1  o 27.988  3.2874 6.7917   1.4149  6.9728   1.9657  6.5970   2.0382  26.977  4.8252 25.833  5.2127 1.144777       7.103159 
1 1 1 30 7  2  o 14.852  5.0231 2.1476   1.3905  3.1302   1.9428  1.1154   1.9911  17.132  5.9334 13.090  5.5619 4.042315       8.132637 
1 1 1 30 7  3  o 11.878  4.8187 0.9861   1.3995  0.1420   1.8683  2.0655   2.1127  11.392  5.0963 14.866  5.9589 -3.473299      7.840960 
1 1 1 30 7  4  o 16.892  4.8365 2.8037   1.3460  2.6751   1.9233  2.9272   1.8843  16.066  5.8670 16.670  5.8395 -0.6042995     8.277741 
1 1 1 30 7  5  o 11.792  4.7823 0.9690   1.3780  2.6536   2.0410  -0.4423  1.8680  15.992  6.0063 10.626  4.8861 5.366341       7.742720 
1 1 1 30 7  6  o 13.825  5.0057 1.7876   1.3957  0.8920   1.9680  2.6940   1.9798  12.674  5.4601 16.076  5.9395 -3.402615      8.067845 
1 1 1 30 7  7  o 16.253  4.9753 2.6257   1.3864  4.2356   1.9546  0.9956   1.9668  19.853  5.8703 12.826  5.4906 7.027030       8.037820 
1 1 1 30 7  8  o 10.871  4.6192 0.5427   1.3734  2.2301   1.9501  -1.1182  1.9347  15.054  5.8180 10.030  4.7300 5.023855       7.498107 
1 1 1 30 7  9  o 19.004  4.6662 3.5025   1.3800  3.6418   1.9433  3.3609   1.9599  18.300  5.9302 17.584  5.9634 0.7164383      8.410138 
1 1 1 30 7  10 o 33.102  2.9853 9.3529   1.5325  8.1327   2.2515  10.406   2.0918  28.648  5.2049 33.858  4.0195 -5.209944      6.576261 
1 1 1 30 7  11 o 15.120  4.9131 2.2573   1.3334  4.6893   1.8612  -0.3072  1.9112  21.206  5.5384 10.840  4.9688 10.36631       7.440599 
1 1 1 30 7  12 o 36.442  2.6378 11.141   1.4968  10.909   2.0880  11.387   2.1467  34.761  3.8989 35.491  3.9240 -0.7295265     5.531685 
1 1 1 30 7  13 o 31.143  3.0211 8.3231   1.4564  8.3766   2.0808  8.2717   2.0392  29.640  4.6295 29.538  4.5497 0.1017857      6.490955 
1 1 1 30 7  14 o 48.297  2.2006 19.145   1.6661  19.083   2.4185  19.202   2.2986  46.818  3.3166 47.230  3.1221 -0.4120483     4.554924 
1 1 1 30 7  15 o 28.907  3.2585 7.2965   1.4509  5.9610   2.1012  8.5136   2.0059  23.673  5.7246 30.088  4.3812 -6.415693      7.208721 
1 1 1 30 7  16 o 12.827  4.9037 1.4729   1.3750  1.3278   2.0584  1.5897   1.8477  13.276  5.6484 13.513  5.5158 -0.2368803     7.894790 
1 1 1 30 7  17 o 20.210  4.8124 4.0686   1.5029  2.5434   2.0646  5.7875   2.1918  15.416  5.9784 22.799  6.0371 -7.383198      8.496347 
1 1 1 30 7  18 o 33.234  2.9094 9.4733   1.5005  10.630   2.1679  8.4096   2.0790  33.749  4.1875 29.461  4.6563 4.287758       6.262290 
1 1 1 30 7  19 o 11.692  4.9111 0.9101   1.5238  1.3073   2.1116  0.4786   2.2011  13.168  5.6644 12.153  5.4762 1.015025       7.878694 
1 1 1 30 7  20 o 9.6028  4.4109 -0.3469  1.5166  -0.8422  2.0714  0.2253   2.2266  10.403  4.9024 11.843  5.4039 -1.439301      7.296274 
1 1 1 30 7  21 o 17.968  5.3809 3.5086   1.6345  5.0086   2.1822  1.5913   2.4670  20.507  6.2347 13.770  6.0207 6.736564       8.667189 
1 1 1 30 7  22 o 20.815  5.3559 4.6617   1.7578  4.1460   2.4075  5.2505   2.5726  17.946  6.5625 19.898  6.8314 -1.951761      9.472834 
1 1 1 30 7  23 f 15.199  5.4762 2.5572   1.6675  1.2854   2.2922  3.9868   2.4302  13.052  5.7523 17.465  6.5551 -4.413101      8.721142 
1 1 1 30 7  24 o 18.366  5.4740 3.7965   1.6946  2.6238   2.3361  5.0989   2.4618  14.960  6.1652 19.531  6.6833 -4.570103      9.092641 
1 1 1 30 8  0  o 8.3847  5.6144 -0.2854  2.0521  -0.2854  2.0521  -0.2854  2.0521  8.3847  5.6144 8.3847  5.6144 0.000000       0.000000 
1 1 1 30 8  1  o 13.827  5.1319 1.8845   1.4814  3.1452   2.1053  0.6482   2.0848  16.530  6.1214 12.199  5.4254 4.331253       8.179635 
1 1 1 30 8  2  o 20.478  4.7027 4.1603   1.4779  2.6338   2.0945  5.6737   2.0855  15.482  6.0167 22.715  5.8280 -7.232376      8.376576 
1 1 1 30 8  3  o 11.871  4.9974 0.9519   1.5835  0.2918   2.0264  1.9870   2.5374  11.626  5.2451 14.505  6.2237 -2.879574      8.139151 
1 1 1 30 8  4  o 14.487  5.1396 2.1430   1.4634  2.1173   2.0261  2.1710   2.1160  14.467  5.8227 14.592  5.9232 -0.1253881     8.305869 
1 1 1 30 8  5  o 27.439  3.6797 6.8246   1.5430  8.5955   2.2132  5.1498   2.1523  29.291  4.9992 21.115  6.1364 8.175524       7.915026 
1 1 1 30 8  6  o 11.183  4.7746 0.6946   1.4801  0.9547   2.1630  0.4655   2.0298  12.687  5.5897 11.829  5.3004 0.8575144      7.703160 
1 1 1 30 8  7  o 9.0209  4.2042 -0.6555  1.4540  0.6433   2.0453  -1.9824  2.0673  12.078  5.3725 9.3973  4.5514 2.680411       7.041189 
1 1 1 30 8  8  o 10.991  4.6602 0.6964   1.3930  1.0303   1.9816  0.3701   1.9586  12.525  5.4372 11.549  5.1884 0.9761229      7.515459 
1 1 1 30 8  9  o 27.862  3.7996 7.1242   1.6163  5.3368   2.3914  8.6275   2.1931  20.737  6.5638 29.314  4.9485 -8.576488      8.220165 
1 1 1 30 8  10 o 10.247  4.5494 0.2111   1.4599  -0.8660  1.9416  1.6117   2.2143  10.046  4.7377 13.596  5.8232 -3.550126      7.506975 
1 1 1 30 8  11 o 28.606  3.9826 7.6357   1.7376  8.9519   2.4021  6.1914   2.5164  29.097  5.4669 22.201  6.6829 6.895441       8.634137 
1 1 1 30 8  12 o 26.734  4.2401 6.8290   1.7177  5.8939   2.2612  8.1050   2.6414  22.304  6.2282 26.056  6.4907 -3.752327      8.995534 
1 1 1 30 8  13 o 11.996  5.1184 1.0188   1.6990  0.7404   2.3674  1.3145   2.4397  12.485  5.6477 13.259  5.8842 -0.7735243     8.155961 
1 1 1 30 8  14 o 17.131  5.8418 3.4548   1.8809  2.3314   2.4134  5.1931   3.0019  14.595  6.1581 18.725  7.2237 -4.130753      9.492292 
1 1 1 30 8  15 o 21.117  5.9278 5.2113   2.0427  3.5073   2.8178  7.0985   2.9655  16.188  6.7296 22.229  7.3322 -6.041233      9.952298 
1 1 1 30 8  16 o 21.838  5.5638 5.3301   1.9101  6.8758   2.5805  3.4566   2.8410  23.040  6.7258 16.006  6.7137 7.033525       9.503186 
1 1 1 30 8  17 o 25.050  5.2415 6.7158   1.9923  5.3431   2.5756  8.7606   3.1435  19.558  6.8284 24.587  7.4846 -5.029253      10.13146 
1 1 1 30 9  0  o 8.4701  6.0597 -3.8134  3.6968  -3.8134  3.6968  -3.8134  3.6968  8.4701  6.0597 8.4701  6.0597 0.000000       0.000000 
1 1 1 30 9  1  o 25.520  6.0908 7.7657   2.4029  6.6601   2.9612  9.8975   4.1118  20.752  7.3165 22.355  8.4957 -1.603260      11.21191 
1 1 1 30 9  2  o 14.941  5.9572 2.7357   2.0996  1.9657   2.5604  4.3166   3.6687  13.748  6.0682 16.217  7.2054 -2.468589      9.420227 
1 1 1 30 9  3  o 12.723  5.6681 1.2908   2.2855  1.2079   3.0119  1.4034   3.5092  13.171  6.1087 13.616  6.4056 -0.4453945     8.851437 
1 1 1 30 9  4  o 12.483  5.7433 0.8595   2.5858  7.5525   3.8333  -4.7285  3.5026  19.745  7.9871 10.244  5.1305 9.501113       9.492985 
1 1 1 31 0  0  o 25.072  7.7270 6.3217   2.6571  6.3217   2.6571  6.3217   2.6571  25.072  7.7270 25.072  7.7270 0.000000       0.000000 
1 1 1 31 0  1  o 31.090  4.5251 8.2563   2.0692  8.2563   2.0692  8.2563   2.0692  31.090  4.5251 31.090  4.5251 0.000000       0.000000 
1 1 1 31 0  2  o 35.420  3.5918 10.323   1.9474  10.323   1.9474  10.323   1.9474  35.420  3.5918 35.420  3.5918 0.000000       0.000000 
1 1 1 31 0  3  o 35.904  3.5724 10.595   1.9651  10.595   1.9651  10.595   1.9651  35.904  3.5724 35.904  3.5724 0.000000       0.000000 
1 1 1 31 0  4  o 50.208  2.9101 20.218   2.2729  20.218   2.2729  20.218   2.2729  50.208  2.9101 50.208  2.9101 0.000000       0.000000 
1 1 1 31 0  5  o 10.542  6.3175 1.0572   1.8677  1.0572   1.8677  1.0572   1.8677  10.542  6.3175 10.542  6.3175 0.000000       0.000000 
1 1 1 31 0  6  o 36.762  3.6454 11.118   2.0535  11.118   2.0535  11.118   2.0535  36.762  3.6454 36.762  3.6454 0.000000       0.000000 
1 1 1 31 0  7  o 8.5799  5.5661 0.0426   1.7820  0.0426   1.7820  0.0426   1.7820  8.5799  5.5661 8.5799  5.5661 0.000000       0.000000 
1 1 1 31 0  8  o 11.561  6.5407 1.5440   1.8237  1.5440   1.8237  1.5440   1.8237  11.561  6.5407 11.561  6.5407 0.000000       0.000000 
1 1 1 31 0  9  o 9.6418  5.9954 0.6337   1.8257  0.6337   1.8257  0.6337   1.8257  9.6418  5.9954 9.6418  5.9954 0.000000       0.000000 
1 1 1 31 0  10 o 11.262  6.6270 1.3401   1.9873  1.3401   1.9873  1.3401   1.9873  11.262  6.6270 11.262  6.6270 0.000000       0.000000 
1 1 1 31 0  11 o 54.312  3.0913 23.720   2.6125  23.720   2.6125  23.720   2.6125  54.312  3.0913 54.312  3.0913 0.000000       0.000000 
1 1 1 31 0  12 o 7.1379  4.9411 -1.3840  1.8953  -1.3840  1.8953  -1.3840  1.8953  7.1379  4.9411 7.1379  4.9411 0.000000       0.000000 
1 1 1 31 0  13 o 10.683  6.6501 0.8362   2.2525  0.8362   2.2525  0.8362   2.2525  10.683  6.6501 10.683  6.6501 0.000000       0.000000 
1 1 1 31 0  14 o 9.1480  5.9987 -0.0856  2.1509  -0.0856  2.1509  -0.0856  2.1509  9.1480  5.9987 9.1480  5.9987 0.000000       0.000000 
1 1 1 31 0  15 o 8.5496  5.7327 -0.5750  2.1523  -0.5750  2.1523  -0.5750  2.1523  8.5496  5.7327 8.5496  5.7327 0.000000       0.000000 
1 1 1 31 0  16 o 12.796  7.2361 1.9842   2.2308  1.9842   2.2308  1.9842   2.2308  12.796  7.2361 12.796  7.2361 0.000000       0.000000 
1 1 1 31 0  17 o 36.892  4.4750 11.518   2.4867  11.518   2.4867  11.518   2.4867  36.892  4.4750 36.892  4.4750 0.000000       0.000000 
1 1 1 31 0  18 o 11.090  6.6082 1.2793   2.0202  1.2793   2.0202  1.2793   2.0202  11.090  6.6082 11.090  6.6082 0.000000       0.000000 
1 1 1 31 0  19 o 10.410  6.4040 0.9198   2.0291  0.9198   2.0291  0.9198   2.0291  10.410  6.4040 10.410  6.4040 0.000000       0.000000 
1 1 1 31 0  20 o 13.298  7.0482 2.2572   1.9748  2.2572   1.9748  2.2572   1.9748  13.298  7.0482 13.298  7.0482 0.000000       0.000000 
1 1 1 31 0  21 o 20.504  6.9037 4.5228   1.9832  4.5228   1.9832  4.5228   1.9832  20.504  6.9037 20.504  6.9037 0.000000       0.000000 
1 1 1 31 0  22 o 23.182  6.6042 5.4257   2.0798  5.4257   2.0798  5.4257   2.0798  23.182  6.6042 23.182  6.6042 0.000000       0.000000 
1 1 1 31 0  23 o 45.349  3.3784 16.799   2.3711  16.799   2.3711  16.799   2.3711  45.349  3.3784 45.349  3.3784 0.000000       0.000000 
1 1 1 31 0  24 o 33.891  3.9624 9.6764   2.0300  9.6764   2.0300  9.6764   2.0300  33.891  3.9624 33.891  3.9624 0.000000       0.000000 
1 1 1 31 0  25 o 44.417  3.1571 16.062   2.1728  16.062   2.1728  16.062   2.1728  44.417  3.1571 44.417  3.1571 0.000000       0.000000 
1 1 1 31 0  26 o 37.186  3.4792 11.433   1.9874  11.433   1.9874  11.433   1.9874  37.186  3.4792 37.186  3.4792 0.000000       0.000000 
1 1 1 31 0  27 o 15.479  6.9714 2.9862   1.8124  2.9862   1.8124  2.9862   1.8124  15.479  6.9714 15.479  6.9714 0.000000       0.000000 
1 1 1 31 0  28 o 10.840  6.4084 1.3103   1.8738  1.3103   1.8738  1.3103   1.8738  10.840  6.4084 10.840  6.4084 0.000000       0.000000 
1 1 1 31 0  29 o 7.5866  5.1421 -0.6779  1.8232  -0.6779  1.8232  -0.6779  1.8232  7.5866  5.1421 7.5866  5.1421 0.000000       0.000000 
1 1 1 31 0  30 o 45.232  3.1969 16.713   2.2409  16.713   2.2409  16.713   2.2409  45.232  3.1969 45.232  3.1969 0.000000       0.000000 
1 1 1 31 0  31 o 7.9818  5.3558 -0.4447  1.8847  -0.4447  1.8847  -0.4447  1.8847  7.9818  5.3558 7.9818  5.3558 0.000000       0.000000 
1 1 1 31 0  32 o 63.346  2.5972 32.213   2.5693  32.213   2.5693  32.213   2.5693  63.346  2.5972 63.346  2.5972 0.000000       0.000000 
1 1 1 31 0  33 o 62.531  2.7211 31.482   2.6559  31.482   2.6559  31.482   2.6559  62.531  2.7211 62.531  2.7211 0.000000       0.000000 
1 1 1 31 0  34 f 32.740  4.1278 9.1899   2.0271  9.1899   2.0271  9.1899   2.0271  32.740  4.1278 32.740  4.1278 0.000000       0.000000 
1 1 1 31 0  35 o 8.8855  5.7094 0.3505   1.8160  0.3505   1.8160  0.3505   1.8160  8.8855  5.7094 8.8855  5.7094 0.000000       0.000000 
1 1 1 31 0  36 o 13.878  6.8653 2.5529   1.7960  2.5529   1.7960  2.5529   1.7960  13.878  6.8653 13.878  6.8653 0.000000       0.000000 
1 1 1 31 0  37 o 9.9616  6.0960 0.9927   1.8171  0.9927   1.8171  0.9927   1.8171  9.9616  6.0960 9.9616  6.0960 0.000000       0.000000 
1 1 1 31 0  38 o 23.163  6.8369 5.6919   2.1583  5.6919   2.1583  5.6919   2.1583  23.163  6.8369 23.163  6.8369 0.000000       0.000000 
1 1 1 31 0  39 o 9.5690  6.1207 0.5990   2.0584  0.5990   2.0584  0.5990   2.0584  9.5690  6.1207 9.5690  6.1207 0.000000       0.000000 
1 1 1 31 0  40 o 12.877  7.1234 2.3311   2.1042  2.3311   2.1042  2.3311   2.1042  12.877  7.1234 12.877  7.1234 0.000000       0.000000 
1 1 1 31 0  41 o 21.876  7.2529 5.4554   2.2127  5.4554   2.2127  5.4554   2.2127  21.876  7.2529 21.876  7.2529 0.000000       0.000000 
1 1 1 31 0  42 o 46.763  3.4360 18.288   2.4876  18.288   2.4876  18.288   2.4876  46.763  3.4360 46.763  3.4360 0.000000       0.000000 
1 1 1 31 1  0  o 28.843  6.0275 7.6502   2.4017  7.6502   2.4017  7.6502   2.4017  28.843  6.0275 28.843  6.0275 0.000000       0.000000 
1 1 1 31 1  1  o 29.534  4.0812 7.5010   1.8391  11.505   2.5741  3.3258   2.6285  36.233  4.6381 18.822  6.8610 17.41104       8.281652 
1 1 1 31 1  2  o 42.450  3.3567 14.989   2.2155  14.932   3.2188  15.041   3.0542  40.860  5.1387 41.322  4.8045 -0.4620781     7.034877 
1 1 1 31 1  3  o 12.545  5.1271 0.8221   1.5990  1.5267   2.2929  0.1550   2.2310  15.183  6.1649 12.948  5.6917 2.234988       8.390604 
1 1 1 31 1  4  o 32.031  4.0268 8.7929   1.9773  11.429   2.8352  6.2962   2.7591  35.599  5.2368 25.064  6.8338 10.53425       8.609614 
1 1 1 31 1  5  o 25.553  5.1941 5.9535   2.0097  6.9987   2.8031  4.8479   2.8829  26.544  6.7276 21.785  7.2314 4.759405       9.876982 
1 1 1 31 1  6  o 43.474  3.4049 15.763   2.3020  17.498   3.3361  14.186   3.1805  44.486  4.8629 39.668  5.2430 4.817825       7.150983 
1 1 1 31 1  7  o 8.5763  4.2583 -4.6133  2.1997  -4.3125  3.0987  -4.9187  3.1230  11.089  5.4159 10.805  5.3098 0.2844152      7.584592 
1 1 1 31 1  8  o 32.977  4.4507 9.5081   2.2421  14.700   3.7111  6.5237   2.8137  39.340  6.2248 25.392  6.8920 13.94756       9.287002 
1 1 1 31 1  9  o 24.692  5.0515 5.5501   1.8895  6.0102   2.7309  5.1275   2.6170  24.345  6.8611 22.507  6.8242 1.837805       9.676999 
1 1 1 31 1  10 o 24.068  5.3273 5.3664   1.9569  3.4948   2.7092  7.4082   2.8297  19.018  6.9605 27.257  6.6754 -8.239597      9.644134 
1 1 1 31 1  11 o 31.014  3.8652 8.2345   1.8385  8.9799   2.8239  7.6862   2.4220  30.632  6.0950 28.708  5.5828 1.924000       8.265391 
1 1 1 31 1  12 o 21.318  4.7104 4.1102   1.5323  4.5260   2.1998  3.7182   2.1356  21.468  6.1936 19.530  6.2050 1.937315       8.767108 
1 1 1 31 1  13 o 29.077  3.3178 7.1019   1.4853  8.0331   2.1625  6.2702   2.0436  29.958  4.7640 26.115  5.1746 3.842966       7.033617 
1 1 1 31 1  14 o 10.782  4.6435 0.2061   1.4224  3.2125   2.0640  -2.5129  1.9629  18.277  6.1202 9.2312  4.4622 9.045452       7.574124 
1 1 1 31 1  15 o 14.785  5.1083 1.9165   1.4396  3.6036   2.1219  0.4777   1.9595  19.167  6.1953 12.646  5.4484 6.520676       8.250221 
1 1 1 31 1  16 o 10.744  4.6072 0.2515   1.3890  -0.5401  1.8853  1.1915   2.0544  10.994  4.9994 14.001  5.7771 -3.006986      7.639988 
1 1 1 31 1  17 o 24.652  4.0681 5.3223   1.5173  5.7817   2.1306  4.8497   2.1613  24.586  5.6469 22.163  6.0508 2.423452       8.276417 
1 1 1 31 1  18 o 19.287  4.8260 3.4357   1.4556  2.6202   2.0549  4.2569   2.0622  16.787  6.0744 20.754  5.9994 -3.967001      8.537662 
1 1 1 31 1  19 o 16.867  5.1545 2.6621   1.4888  2.0707   2.0734  3.2918   2.1393  15.603  6.0078 18.284  6.2302 -2.681073      8.655006 
1 1 1 31 1  20 o 12.755  5.0205 1.1366   1.4735  0.3419   2.0961  1.9130   2.0719  12.651  5.5400 15.261  5.9692 -2.610117      8.143888 
1 1 1 31 1  21 f 49.787  2.2959 20.075   1.7920  20.761   2.5844  19.440   2.4869  49.659  3.3391 48.066  3.3208 1.593620       4.709275 
1 1 1 31 1  22 o 30.514  3.2843 7.8725   1.5463  10.229   2.2957  5.9149   2.0922  33.880  4.4283 24.817  5.5204 9.063026       7.077037 
1 1 1 31 1  23 o 25.780  3.8626 5.8020   1.5130  6.9975   2.1724  4.6760   2.1084  27.237  5.2784 21.570  6.0107 5.667013       7.999417 
1 1 1 31 1  24 o 22.932  4.2722 4.7192   1.4794  6.5737   2.1053  2.9102   2.0792  26.345  5.2814 17.245  6.1253 9.099878       8.087838 
1 1 1 31 1  25 o 18.605  5.0058 3.2833   1.4920  4.0371   2.1045  2.5215   2.1157  19.883  6.1369 16.376  6.1221 3.507433       8.668440 
1 1 1 31 1  26 o 18.518  4.9706 3.2530   1.4732  2.0520   2.1059  4.4039   2.0616  15.390  6.0185 20.836  5.9914 -5.445645      8.492332 
1 1 1 31 1  27 o 26.832  3.8002 6.2905   1.5538  5.6958   2.1280  6.9696   2.2741  23.990  5.7361 26.760  5.6007 -2.770031      8.016926 
1 1 1 31 1  28 o 11.101  4.7712 0.3642   1.4957  0.7715   2.1253  -0.0356  2.1053  13.163  5.6725 11.997  5.3851 1.166519       7.821570 
1 1 1 31 1  29 o 17.242  5.0685 2.8524   1.4609  3.9884   2.2319  2.0008   1.9324  19.477  6.3578 15.061  5.7998 4.415956       8.605735 
1 1 1 31 1  30 o 24.987  3.7792 5.4821   1.4341  5.1553   2.1363  5.7503   1.9349  22.466  5.9655 24.489  5.2007 -2.023611      7.914189 
1 1 1 31 1  31 o 43.940  2.5313 15.898   1.7363  16.766   2.9226  15.425   2.1584  43.146  4.3818 42.619  3.2552 0.5261421      5.458582 
1 1 1 31 1  32 o 12.672  4.9240 1.2456   1.4027  -0.4577  2.2392  2.3456   1.7995  11.692  5.3666 15.643  5.6808 -3.950387      7.814869 
1 1 1 31 1  33 o 23.999  4.3446 5.2733   1.5743  2.0552   2.5104  7.3595   2.0212  15.444  6.3804 28.050  4.7670 -12.60576      7.964587 
1 1 1 31 1  34 o 21.996  4.3940 4.4778   1.4621  0.4287   2.1805  7.7856   1.9709  12.567  5.5706 29.088  4.4647 -16.52142      7.138964 
1 1 1 31 1  35 o 14.159  5.0226 1.8689   1.3975  0.3734   2.1827  2.9079   1.8193  12.439  5.5403 16.820  5.7454 -4.381760      7.981542 
1 1 1 31 1  36 o 23.744  4.0613 5.1319   1.4574  6.0391   2.2372  4.4629   1.9210  23.902  5.9841 20.656  5.7309 3.246141       8.285678 
1 1 1 31 1  37 o 16.313  5.0559 2.6594   1.4267  4.0786   2.1526  1.5477   1.9052  19.106  6.2442 13.703  5.5981 5.403067       8.386218 
1 1 1 31 1  38 o 9.7031  4.2843 0.0757   1.2774  0.7114   1.8409  -0.5146  1.7740  12.090  5.2446 10.237  4.7269 1.852974       7.060410 
1 1 1 31 1  39 o 26.112  3.4157 6.0267   1.3647  7.7787   1.9287  4.2700   1.9313  28.679  4.4329 19.717  5.8365 8.961851       7.329097 
1 1 1 31 1  40 o 13.121  4.8283 1.6284   1.3061  1.1116   1.7801  2.2310   1.9223  12.480  5.2786 14.714  5.7513 -2.233839      7.806458 
1 1 1 31 2  0  o 16.640  8.7233 3.7558   3.0005  3.7558   3.0005  3.7558   3.0005  16.640  8.7233 16.640  8.7233 0.000000       0.000000 
1 1 1 31 2  1  o 11.059  4.9645 -0.2810  1.7893  0.3195   2.6534  -0.7818  2.4232  13.832  6.1375 12.096  5.5633 1.735655       8.283688 
1 1 1 31 2  2  o 45.111  2.9554 16.825   2.0785  19.255   2.8342  13.998   3.0573  47.440  3.8440 39.212  5.0939 8.228626       6.381527 
1 1 1 31 2  3  o 57.094  2.3817 26.401   2.1318  25.939   3.0857  26.823   2.9484  55.401  3.5720 56.599  3.3378 -1.197899      4.888730 
1 1 1 31 2  4  o 30.326  3.6448 7.8537   1.6980  7.8358   2.4010  7.8716   2.4017  28.873  5.5055 28.951  5.4928 -0.7814407E-01 7.776955 
1 1 1 31 2  5  o 39.972  2.5659 13.058   1.5994  13.657   2.4086  12.586   2.1390  39.843  3.9064 38.506  3.5847 1.336811       5.301956 
1 1 1 31 2  6  o 67.457  1.7707 36.333   1.8725  34.620   2.6330  38.085   2.6635  65.184  2.5767 68.463  2.4817 -3.278900      3.577458 
1 1 1 31 2  7  o 13.162  4.8836 1.3791   1.3413  1.5273   1.9159  1.2365   1.8784  14.359  5.7014 13.734  5.5787 0.6247120      7.976691 
1 1 1 31 2  8  f 31.733  2.8437 8.3338   1.3997  9.6808   2.0052  7.0538   1.9546  33.483  3.8927 28.024  4.6094 5.459400       6.033222 
1 1 1 31 2  9  o 23.087  3.9301 4.6600   1.3715  6.3403   1.9866  3.1298   1.8957  26.231  5.0138 17.975  5.8590 8.255915       7.711447 
1 1 1 31 2  10 o 46.903  2.1572 17.736   1.5861  19.320   2.2739  16.236   2.2135  48.232  3.0226 44.027  3.2295 4.205078       4.423350 
1 1 1 31 2  11 o 26.920  3.3465 6.1461   1.3818  5.9415   1.9705  6.3439   1.9382  25.230  5.1562 26.310  4.8790 -1.079370      7.098641 
1 1 1 31 2  12 f 12.201  4.7035 1.0734   1.2719  -0.3120  1.7674  2.5616   1.8319  10.894  4.9082 16.508  5.7590 -5.613673      7.566850 
1 1 1 31 2  13 o 33.554  2.7483 9.2998   1.4330  8.9728   2.0458  9.6148   2.0078  31.924  4.1890 33.274  3.9247 -1.349997      5.740240 
1 1 1 31 2  14 o 17.384  4.7390 2.8047   1.3269  2.3385   1.9010  3.2476   1.8530  15.967  5.8326 18.206  5.7794 -2.238333      8.211036 
1 1 1 31 2  15 o 22.006  4.1464 4.3146   1.3779  4.9499   1.9587  3.6921   1.9388  22.577  5.5689 19.268  5.8807 3.308933       8.099088 
1 1 1 31 2  16 o 59.991  1.8806 28.865   1.7686  26.266   2.4736  31.584   2.5298  56.456  2.7949 62.115  2.5980 -5.658722      3.815912 
1 1 1 31 2  17 o 38.906  2.5297 12.415   1.5345  10.164   2.1317  14.836   2.2107  34.013  4.0793 41.816  3.4018 -7.803707      5.311580 
1 1 1 31 2  18 o 15.765  4.9080 2.3186   1.3427  1.4418   1.9519  3.1064   1.8500  14.072  5.6969 17.746  5.7882 -3.674681      8.121459 
1 1 1 31 2  19 o 42.022  2.4453 14.449   1.6039  12.854   2.3765  15.784   2.1736  38.296  4.0184 43.264  3.2280 -4.967873      5.154393 
1 1 1 31 2  20 o 12.116  4.7482 1.0420   1.3129  4.0975   2.0109  -1.2282  1.7333  20.094  5.9573 9.5864  4.5072 10.50787       7.470233 
1 1 1 31 2  21 o 24.590  3.7950 5.2994   1.4158  5.5940   2.0556  5.0335   1.9529  23.875  5.5906 22.645  5.5454 1.230400       7.874468 
1 1 1 31 2  22 o 15.552  4.9628 2.2722   1.3650  0.4456   1.9857  3.9086   1.8795  12.391  5.4101 19.735  5.7341 -7.343321      7.883426 
1 1 1 31 2  23 o 17.130  4.9015 2.7902   1.3828  0.2364   2.0038  5.1125   1.9108  12.112  5.3561 22.900  5.4089 -10.78714      7.612108 
1 1 1 31 2  24 o 8.8198  4.0809 -0.7258  1.3323  -1.3349  1.9255  -0.1662  1.8455  10.009  4.7194 11.161  5.0233 -1.152739      6.892484 
1 1 1 31 2  25 o 10.402  4.5119 0.2056   1.3624  0.3827   2.0024  0.0529   1.8590  12.283  5.3960 11.485  5.1145 0.7984352      7.434767 
1 1 1 31 2  26 o 8.5434  3.9832 -0.8499  1.3070  -1.2242  1.8916  -0.5079  1.8080  10.000  4.7040 10.587  4.8455 -0.5862036     6.753259 
1 1 1 31 2  27 o 9.0919  4.1304 -0.3992  1.2828  0.8926   1.8816  -1.5210  1.7533  12.794  5.4201 9.2735  4.4112 3.520668       6.988296 
1 1 1 31 2  28 o 25.601  3.5766 5.7202   1.3963  4.5445   2.0250  6.7859   1.9278  20.949  5.9096 26.960  4.7341 -6.011190      7.571951 
1 1 1 31 2  29 o 23.841  3.8467 5.0576   1.3888  7.7294   2.1012  2.9852   1.8506  28.645  4.8524 17.106  5.7948 11.53935       7.558111 
1 1 1 31 2  30 o 26.075  3.6316 5.9745   1.4442  5.2893   2.0982  6.5913   1.9907  22.580  5.8723 26.196  5.0304 -3.615849      7.732317 
1 1 1 31 2  31 o 34.893  2.8185 10.231   1.5285  6.9593   2.2128  13.216   2.1140  26.352  5.5327 39.004  3.4943 -12.65254      6.543734 
1 1 1 31 2  32 o 15.229  4.9761 2.2589   1.3671  1.3915   2.0842  2.9140   1.8111  13.719  5.7520 16.759  5.7323 -3.040130      8.120701 
1 1 1 31 2  33 o 12.095  4.8596 1.0798   1.4086  2.1357   2.0634  0.1582   1.9277  14.955  5.9235 11.534  5.1669 3.421146       7.860318 
1 1 1 31 2  34 o 12.173  4.8381 1.1547   1.3809  3.4484   1.9814  -1.0115  1.9255  17.735  5.9962 10.091  4.7465 7.643881       7.647450 
1 1 1 31 2  35 o 15.149  4.9136 2.2869   1.3339  1.7698   1.8782  2.8131   1.8947  13.954  5.6096 16.185  5.8365 -2.230819      8.095237 
1 1 1 31 2  36 f 25.976  3.5819 6.0430   1.4198  3.3586   1.9916  8.8175   2.0247  17.253  6.0056 30.603  4.3420 -13.34998      7.410854 
1 1 1 31 2  37 o 17.771  4.7072 3.1678   1.3322  2.9872   1.8698  3.3540   1.8987  16.359  5.8089 17.212  5.8694 -0.8532829     8.257873 
1 1 1 31 3  0  o 11.656  6.6394 1.6477   1.8961  1.6477   1.8961  1.6477   1.8961  11.656  6.6394 11.656  6.6394 0.000000       0.000000 
1 1 1 31 3  1  o 25.302  3.6398 5.5422   1.4022  6.2922   1.9910  4.8042   1.9750  25.904  5.0844 22.086  5.6740 3.817293       7.618739 
1 1 1 31 3  2  o 35.261  2.7377 10.288   1.5015  8.2359   2.1168  12.366   2.1301  30.116  4.6319 37.952  3.6243 -7.836027      5.881282 
1 1 1 31 3  3  o 57.186  2.1328 26.418   1.9121  23.068   2.9419  28.868   2.5159  51.890  3.6395 59.241  2.7091 -7.351345      4.537068 
1 1 1 31 3  4  o 35.363  2.8720 10.404   1.5784  9.5903   2.3086  11.118   2.1631  32.487  4.6669 35.698  3.9303 -3.211559      6.101414 
1 1 1 31 3  5  o 13.805  5.0899 1.6196   1.4525  0.8563   2.0481  2.3918   2.0601  13.212  5.6279 16.066  6.0344 -2.854848      8.251495 
1 1 1 31 3  6  o 52.944  2.1852 22.685   1.8136  22.208   2.5432  23.178   2.5871  51.422  3.1703 52.552  3.1549 -1.130375      4.472618 
1 1 1 31 3  7  o 17.995  5.1107 3.0975   1.5092  5.2443   2.1487  1.0068   2.1203  22.830  5.9449 13.564  5.7504 9.266128       8.270988 
1 1 1 31 3  8  o 30.808  3.3474 8.0831   1.5906  9.4337   2.2799  6.8022   2.2202  32.193  4.6526 26.521  5.5198 5.672205       7.219098 
1 1 1 31 3  9  o 27.950  3.6795 6.7757   1.5731  6.2659   2.2144  7.2951   2.2350  25.215  5.7318 27.637  5.3520 -2.422318      7.842035 
1 1 1 31 3  10 o 23.550  4.4087 5.0357   1.5678  5.8868   2.2257  4.1976   2.2088  24.227  5.9122 20.067  6.3027 4.160831       8.641622 
1 1 1 31 3  11 o 13.816  5.0310 1.6549   1.4128  3.9834   2.1593  -0.0882  1.8682  19.588  6.2410 11.364  5.0890 8.223577       8.052795 
1 1 1 31 3  12 o 21.661  4.6180 4.3412   1.5203  1.6166   2.1634  6.9995   2.1369  14.586  5.9627 27.137  5.2124 -12.55143      7.919813 
1 1 1 31 3  13 o 16.524  5.1875 2.6215   1.4965  7.4427   2.5863  0.1949   1.8348  26.942  6.2453 11.669  5.1444 15.27336       8.091208 
1 1 1 31 3  14 o 13.805  4.9522 1.6777   1.3622  3.0281   2.1598  0.7854   1.7555  17.324  6.2333 12.444  5.2514 4.879849       8.150527 
1 1 1 31 3  15 o 17.023  5.0422 2.7819   1.4411  1.5099   2.2174  3.7120   1.8961  14.424  5.9809 19.134  5.8103 -4.709935      8.338504 
1 1 1 31 3  16 o 48.416  2.2170 19.035   1.6827  17.271   2.3661  20.841   2.3936  45.002  3.3785 49.786  3.0820 -4.784000      4.573061 
1 1 1 31 3  17 f 21.003  4.2730 4.0192   1.3590  5.1365   2.0030  3.0660   1.8500  22.680  5.6534 17.464  5.7927 5.216293       8.094191 
1 1 1 31 3  18 o 48.577  2.1889 19.157   1.6669  20.315   2.6292  18.379   2.1554  48.683  3.4677 46.852  2.9496 1.830582       4.552526 
1 1 1 31 3  19 o 12.916  4.8717 1.3721   1.3456  2.6351   1.9802  0.2887   1.8341  16.358  5.9564 11.745  5.1618 4.612996       7.881784 
1 1 1 31 3  20 o 11.292  4.6395 0.7207   1.3179  0.2772   1.9070  1.1262   1.8235  11.880  5.2408 13.107  5.4283 -1.226566      7.545331 
1 1 1 31 3  21 o 13.988  5.0426 1.7623   1.4141  1.7119   1.9868  1.8141   2.0132  14.403  5.7768 14.623  5.8323 -0.2205210     8.209028 
1 1 1 31 3  22 o 21.380  4.2172 4.1722   1.3633  6.0705   2.0241  2.5961   1.8443  24.906  5.3442 16.191  5.7671 8.714544       7.862556 
1 1 1 31 3  23 o 19.594  4.4793 3.5881   1.3459  5.4593   2.0379  2.1405   1.7924  23.257  5.6464 15.091  5.6363 8.165872       7.978067 
1 1 1 31 3  24 o 10.595  4.4971 0.4388   1.2994  0.8770   1.8946  0.0496   1.7856  12.705  5.4126 11.196  4.9972 1.509262       7.366740 
1 1 1 31 3  25 o 13.648  4.9138 1.6867   1.3424  2.3521   1.8954  1.0170   1.9015  15.526  5.7965 12.921  5.4599 2.604687       7.963018 
1 1 1 31 3  26 o 7.4619  3.6183 -1.7809  1.3163  -2.0760  1.8039  -1.4448  1.9252  8.8433  4.2754 9.7658  4.6386 -0.9225006     6.308409 
1 1 1 31 3  27 o 48.148  2.1253 18.880   1.6042  18.803   2.2591  18.957   2.2783  47.011  3.0825 47.186  3.0971 -0.1749001     4.369652 
1 1 1 31 3  28 o 19.939  4.4560 3.7622   1.3578  4.2430   1.8924  3.2520   1.9492  20.066  5.7312 17.424  5.9470 2.641466       8.259162 
1 1 1 31 3  29 o 47.519  2.2487 18.518   1.6752  20.957   2.3376  15.944   2.4018  49.610  3.0201 42.498  3.6402 7.111958       4.729874 
1 1 1 31 3  30 o 8.9997  4.1267 -0.4457  1.3197  -0.4790  1.8880  -0.4139  1.8454  10.567  4.8782 10.540  4.8504 0.2660084E-01  6.879183 
1 1 1 31 3  31 o 11.654  4.7562 0.9591   1.3736  -0.5855  1.9989  2.3409   1.8906  10.662  4.9557 15.111  5.7565 -4.449073      7.595773 
1 1 1 31 3  32 o 22.954  4.0543 4.8950   1.4055  4.0100   1.9245  5.9066   2.0576  18.975  5.8706 23.571  5.6433 -4.595377      8.143160 
1 1 1 31 3  33 o 9.4484  4.3461 -0.4055  1.4795  0.9703   2.1518  -1.6392  2.0375  12.737  5.5945 9.6337  4.6288 3.103053       7.261111 
1 1 1 31 3  34 o 16.167  5.2677 2.8016   1.5324  3.1515   2.0664  2.3738   2.2843  16.427  6.0682 14.874  6.1093 1.552691       8.610817 
1 1 1 31 4  0  o 42.355  3.5109 14.804   2.2944  14.804   2.2944  14.804   2.2944  42.355  3.5109 42.355  3.5109 0.000000       0.000000 
1 1 1 31 4  1  o 8.7263  4.0110 -0.5831  1.2571  1.2733   1.7895  -2.3915  1.7662  13.343  5.4352 8.5384  4.1519 4.804129       6.839576 
1 1 1 31 4  2  o 14.159  4.8302 1.8362   1.2859  1.1687   1.8351  2.4801   1.8023  13.215  5.4570 15.980  5.7000 -2.765013      7.891057 
1 1 1 31 4  3  o 43.310  2.2362 15.294   1.5131  16.463   2.1663  14.180   2.1143  44.115  3.1532 40.749  3.3391 3.366184       4.592618 
1 1 1 31 4  4  o 23.766  3.8950 5.0172   1.4009  1.9496   1.9993  7.9758   1.9634  14.907  5.8541 29.665  4.3514 -14.75815      7.294148 
1 1 1 31 4  5  o 10.210  4.4073 0.2356   1.2872  -0.5647  1.7975  1.0779   1.8442  10.473  4.8075 13.058  5.4377 -2.584814      7.258142 
1 1 1 31 4  6  f 46.274  2.1176 17.357   1.5361  16.574   2.1758  18.134   2.1690  44.248  3.1575 46.463  2.9937 -2.215199      4.351062 
1 1 1 31 4  7  f 10.970  4.5637 0.5978   1.2972  -1.6581  1.8315  2.8682   1.8374  9.3766  4.4736 16.902  5.7739 -7.525829      7.304178 
1 1 1 31 4  8  o 28.205  3.1631 6.7759   1.3745  6.4601   1.9761  7.0719   1.9131  26.062  5.0187 27.708  4.5633 -1.645744      6.783149 
1 1 1 31 4  9  o 23.008  3.9105 4.7198   1.3600  4.2936   1.9197  5.1493   1.9269  20.511  5.7426 22.794  5.4636 -2.283150      7.926438 
1 1 1 31 4  10 o 47.246  2.1334 18.113   1.5801  17.807   2.2234  18.426   2.2461  45.894  3.1086 46.714  3.0844 -0.8199921     4.379197 
1 1 1 31 4  11 o 10.734  4.5179 0.4985   1.2938  3.5877   1.8345  -2.5590  1.8250  18.730  5.7213 8.5696  4.1789 10.16008       7.084959 
1 1 1 31 4  12 o 11.228  4.6658 0.6640   1.3537  2.2461   2.1130  -0.4373  1.7630  15.501  6.0379 10.508  4.8000 4.993885       7.713424 
1 1 1 31 4  13 o 25.180  3.6646 5.5702   1.4042  4.6254   2.0541  6.3990   1.9238  21.059  5.9559 25.987  4.9022 -4.927435      7.713858 
1 1 1 31 4  14 o 26.951  3.4040 6.2854   1.4061  7.3900   2.0789  5.3541   1.9090  27.924  4.9293 23.309  5.3391 4.615210       7.266640 
1 1 1 31 4  15 o 24.420  3.9104 5.3270   1.4465  5.3169   2.0663  5.3368   2.0256  22.778  5.7777 22.934  5.6668 -0.1561813     8.092838 
1 1 1 31 4  16 o 23.412  4.3600 5.0500   1.5413  5.2182   2.1118  4.8582   2.2547  22.379  5.9259 21.158  6.3162 1.221165       8.660827 
1 1 1 31 4  17 o 30.103  3.4294 7.8554   1.5895  6.5481   2.1224  9.5253   2.3988  25.692  5.4389 31.603  5.0087 -5.911335      7.393868 
1 1 1 31 4  18 o 27.922  3.6653 6.8656   1.5656  5.9850   2.0905  7.9903   2.3626  24.331  5.5972 28.337  5.5169 -4.005430      7.859022 
1 1 1 31 4  19 f 16.088  5.1509 2.5560   1.4695  2.2008   1.9348  3.0402   2.2589  15.163  5.8121 16.930  6.3266 -1.766238      8.591097 
1 1 1 31 4  20 o 15.535  5.1363 2.3717   1.4549  2.8963   1.9400  1.6974   2.1995  16.674  5.9174 14.381  5.9593 2.293582       8.398111 
1 1 1 31 4  21 o 13.087  5.0976 1.4370   1.5062  2.0056   2.1090  0.8452   2.1517  14.803  5.9467 12.957  5.6450 1.846515       8.199365 
1 1 1 31 4  22 o 12.976  5.1366 1.3767   1.5508  4.5578   2.1773  -1.8989  2.2094  20.276  6.2396 10.048  4.8257 10.22800       7.887957 
1 1 1 31 4  23 o 27.367  3.7775 6.7039   1.5774  8.5650   2.2392  4.8703   2.2225  29.715  4.9833 20.868  6.2803 8.846193       8.017142 
1 1 1 31 4  24 o 48.646  2.2419 19.418   1.7097  20.114   2.5090  18.815   2.3360  48.125  3.3465 46.723  3.2086 1.402035       4.636171 
1 1 1 31 4  25 o 24.264  3.9056 5.3606   1.4352  4.2158   2.1210  6.3275   1.9492  19.304  6.1892 25.221  5.1050 -5.916830      8.022878 
1 1 1 31 4  26 o 11.201  4.7030 0.7273   1.3963  -0.1739  2.1435  1.3917   1.8404  11.423  5.2457 13.176  5.4548 -1.753036      7.567870 
1 1 1 31 4  27 o 24.991  3.8571 5.7040   1.4625  8.0258   2.2382  3.9741   1.9319  28.120  5.2709 18.873  5.8891 9.247141       7.903347 
1 1 1 31 4  28 o 11.897  4.9362 1.0134   1.5118  0.6705   1.9657  1.5100   2.3653  12.058  5.3199 13.751  5.9549 -1.692755      7.985084 
1 1 1 31 4  29 f 12.195  5.1593 1.0534   1.7012  0.6562   2.6204  1.3427   2.2366  12.885  5.8730 13.298  5.7746 -0.4124441     8.236392 
1 1 1 31 4  30 o 14.303  5.5946 2.1341   1.8201  5.3783   2.6541  -0.7456  2.5006  20.051  6.9356 11.265  5.3321 8.785982       8.748376 
1 1 1 31 5  0  o 11.624  6.6018 1.7019   1.8676  1.7019   1.8676  1.7019   1.8676  11.624  6.6018 11.624  6.6018 0.000000       0.000000 
1 1 1 31 5  1  o 12.531  4.7788 1.2925   1.3038  0.1514   1.8283  2.4734   1.8600  11.394  5.0733 15.755  5.7671 -4.360400      7.681016 
1 1 1 31 5  2  o 11.044  4.6051 0.6416   1.3252  -0.8440  1.7978  2.4093   1.9611  10.042  4.6785 15.621  5.8836 -5.579149      7.516943 
1 1 1 31 5  3  o 12.267  4.8378 1.1467   1.3708  1.3405   1.8745  0.9239   2.0097  13.415  5.5249 12.911  5.5392 0.5042038      7.823486 
1 1 1 31 5  4  o 15.241  4.8906 2.2421   1.3241  2.3705   1.8547  2.1086   1.8909  15.508  5.7450 14.945  5.7417 0.5628834      8.122343 
1 1 1 31 5  5  o 21.324  4.1162 4.1603   1.3261  5.0224   1.8908  3.3255   1.8605  22.310  5.4523 17.818  5.8042 4.492374       7.963448 
1 1 1 31 5  6  o 28.615  3.1495 7.0188   1.3894  8.1482   1.9691  5.8988   1.9609  29.781  4.3457 24.425  5.2753 5.355366       6.834746 
1 1 1 31 5  7  o 37.248  2.5311 11.512   1.4692  10.443   2.0776  12.582   2.0780  34.161  3.9525 37.987  3.5298 -3.825096      5.299253 
1 1 1 31 5  8  o 22.082  4.0356 4.4373   1.3455  4.8983   1.9016  3.9751   1.9042  21.912  5.5344 19.421  5.8060 2.490606       8.021137 
1 1 1 31 5  9  o 9.6598  4.3036 -0.0659  1.3178  2.2190   1.8757  -2.2930  1.8518  15.129  5.7407 8.7886  4.2684 6.340390       7.153714 
1 1 1 31 5  10 o 23.906  3.9017 5.1490   1.4118  6.4241   2.0244  3.9418   1.9698  25.506  5.2383 19.180  5.9401 6.325565       7.919903 
1 1 1 31 5  11 o 14.374  5.0080 1.9725   1.3850  2.2954   2.0220  1.6870   1.9011  15.305  5.9218 14.023  5.6415 1.281617       8.178878 
1 1 1 31 5  12 o 20.531  4.3026 3.9363   1.3405  2.9810   1.9183  4.8481   1.8741  16.803  5.8915 21.761  5.4930 -4.957975      8.054985 
1 1 1 31 5  13 o 10.996  4.5820 0.6658   1.3107  1.0034   1.8688  0.3390   1.8388  12.705  5.3931 11.603  5.1308 1.102617       7.443801 
1 1 1 31 5  14 o 50.635  2.0675 20.875   1.6412  20.863   2.3211  20.887   2.3207  49.538  3.0031 49.570  3.0006 -0.3191376E-01 4.245215 
1 1 1 31 5  15 o 13.717  4.8644 1.7695   1.3108  2.1866   1.8392  1.3390   1.8686  14.916  5.6787 13.249  5.4918 1.666616       7.899802 
1 1 1 31 5  16 o 15.714  5.0149 2.4673   1.3938  3.1123   1.8497  1.6200   2.1199  17.047  5.7934 13.984  5.8272 3.063217       8.217038 
1 1 1 31 5  17 o 16.628  4.9246 2.7664   1.3747  0.2758   1.9975  5.0074   1.8948  11.751  5.2621 21.943  5.5147 -10.19211      7.622485 
1 1 1 31 5  18 o 10.267  4.4696 0.2911   1.3465  -0.1976  1.9877  0.7055   1.8304  11.102  5.0811 12.030  5.2241 -0.9281960     7.287607 
1 1 1 31 5  19 o 16.619  4.8214 2.7618   1.3297  2.7075   1.8775  2.8165   1.8836  15.916  5.7991 16.164  5.8206 -0.2480354     8.216331 
1 1 1 31 5  20 o 18.592  4.7413 3.4307   1.3862  3.3674   1.9934  3.4900   1.9290  17.302  6.0091 17.681  5.9167 -0.3788223     8.433082 
1 1 1 31 5  21 o 24.476  3.7921 5.4581   1.4080  2.7661   1.9717  8.2591   2.0112  15.886  5.9158 29.395  4.5084 -13.50850      7.437893 
1 1 1 31 5  22 o 32.750  3.4429 9.5219   1.7411  9.5596   2.2685  9.4680   2.7162  31.235  4.7853 29.297  6.1116 1.937635       7.762149 
1 1 1 31 5  23 o 15.279  5.3759 2.4812   1.5979  3.4961   2.2833  1.5071   2.2371  17.024  6.3609 13.546  5.8287 3.477596       8.627559 
1 1 1 31 5  24 o 19.695  5.5302 4.2509   1.7776  2.5915   2.4006  6.2654   2.6450  15.220  6.2584 22.045  6.8927 -6.824239      9.310055 
1 1 1 31 5  25 o 12.579  5.1980 1.3426   1.6666  2.8158   2.3365  -0.1834  2.3780  15.494  6.2470 11.541  5.3781 3.952989       8.243094 
1 1 1 31 5  26 o 10.629  4.7903 0.1864   1.6849  0.8534   2.3816  -0.4819  2.3839  12.586  5.6815 11.195  5.2704 1.390794       7.749604 
1 1 1 31 6  0  o 31.065  4.6319 8.5339   2.1080  8.5339   2.1080  8.5339   2.1080  31.065  4.6319 31.065  4.6319 0.000000       0.000000 
1 1 1 31 6  1  o 14.497  5.0228 2.0749   1.3923  0.1055   2.0025  3.9181   1.9372  11.498  5.1984 18.856  5.8993 -7.357815      7.862910 
1 1 1 31 6  2  o 23.315  4.1541 5.0535   1.4626  4.9788   2.0104  5.1374   2.1319  21.452  5.8271 21.524  6.0606 -0.7134628E-01 8.407522 
1 1 1 31 6  3  o 12.773  4.9259 1.4252   1.3956  1.4962   1.9313  1.3477   2.0189  13.484  5.5856 13.327  5.6283 0.1573982      7.929494 
1 1 1 31 6  4  o 14.784  4.9163 2.1696   1.3323  1.2905   1.8446  3.1285   1.9264  13.011  5.4299 16.885  5.9048 -3.874345      8.021899 
1 1 1 31 6  5  o 31.615  2.9945 8.5790   1.4664  7.8856   2.0400  9.3202   2.1093  28.598  4.7147 31.493  4.3919 -2.895256      6.443427 
1 1 1 31 6  6  o 20.687  4.3565 4.0723   1.3682  5.9441   1.9771  2.3524   1.8952  24.041  5.3803 15.112  5.7619 8.929104       7.883332 
1 1 1 31 6  7  o 9.9596  4.3948 0.1421   1.3421  1.6537   1.9202  -1.3017  1.8766  13.716  5.6136 9.6010  4.5660 4.114851       7.236070 
1 1 1 31 6  8  o 13.347  4.9573 1.6727   1.3828  1.1975   2.0001  2.1076   1.9138  13.001  5.5506 14.571  5.7258 -1.569092      7.974537 
1 1 1 31 6  9  o 9.4581  4.2566 -0.1192  1.3250  -0.8266  1.8401  0.6425   1.9096  9.9723  4.6743 11.993  5.2689 -2.020390      7.043435 
1 1 1 31 6  10 o 18.319  4.7128 3.3351   1.3612  3.5533   1.9639  3.1335   1.8883  17.736  5.9698 16.811  5.8481 0.9254208      8.356952 
1 1 1 31 6  11 o 18.046  4.7518 3.2578   1.3628  4.8388   1.9143  1.6329   1.9407  21.156  5.6607 13.609  5.6151 7.547268       7.973247 
1 1 1 31 6  12 o 8.7659  4.0680 -0.5977  1.3385  0.3288   1.8808  -1.5485  1.9054  11.432  5.1137 9.3923  4.5031 2.039560       6.813785 
1 1 1 31 6  13 o 30.895  3.0199 8.2606   1.4439  7.6966   2.0102  8.8618   2.0754  28.021  4.7454 30.399  4.4902 -2.378029      6.533095 
1 1 1 31 6  14 o 27.958  3.2461 6.8816   1.3963  6.0818   1.9703  7.6885   1.9789  24.128  5.3495 28.064  4.6616 -3.935699      7.095618 
1 1 1 31 6  15 o 18.625  5.1763 3.6574   1.5657  4.7457   2.1217  2.3560   2.3201  20.104  6.1549 14.884  6.1402 5.220049       8.693972 
1 1 1 31 6  16 o 27.116  3.9088 6.8136   1.6136  5.5399   2.2370  8.1950   2.3298  21.651  6.2456 27.755  5.5485 -6.103357      8.354197 
1 1 1 31 6  17 o 34.502  3.1403 10.438   1.6799  10.878   2.2534  9.8873   2.5205  33.648  4.3753 30.615  5.4515 3.033422       6.990142 
1 1 1 31 6  18 o 16.077  5.4525 2.8699   1.6385  2.2931   2.2381  3.5361   2.4052  14.571  6.0225 16.702  6.4596 -2.131179      8.831581 
1 1 1 31 6  19 o 24.448  4.7169 6.0066   1.7423  4.1805   2.3181  8.3779   2.6415  17.995  6.4595 26.458  6.4312 -8.462963      9.115097 
1 1 1 31 6  20 o 11.960  5.1301 1.0329   1.7231  2.6524   2.1685  -1.7412  2.8382  15.037  6.0337 10.916  5.2976 4.120682       8.029342 
1 1 1 31 7  0  o 15.488  7.3588 3.2959   2.0357  3.2959   2.0357  3.2959   2.0357  15.488  7.3588 15.488  7.3588 0.000000       0.000000 
1 1 1 31 7  1  o 12.230  4.9061 1.3081   1.4332  0.9196   2.0835  1.6570   1.9745  12.344  5.4599 13.365  5.6010 -1.021596      7.821880 
1 1 1 31 7  2  o 9.5775  4.2933 0.0359   1.3333  -2.6122  1.8493  2.9025   1.9241  8.2812  4.0729 15.810  5.8525 -7.528346      7.130218 
1 1 1 31 7  3  o 8.5402  4.0438 -0.9584  1.4408  0.8595   2.0118  -2.8724  2.0643  12.155  5.3713 8.6659  4.2700 3.489368       6.861768 
1 1 1 31 7  4  o 25.980  3.7647 6.2433   1.4886  7.1218   2.0329  5.2277   2.1858  26.157  5.1409 20.773  6.2229 5.384224       8.071769 
1 1 1 31 7  5  o 15.891  5.2198 2.7525   1.5035  2.6030   2.1651  2.8917   2.0895  15.038  6.0309 15.621  6.0266 -0.5827723     8.525938 
1 1 1 31 7  6  o 10.914  4.9519 0.1829   1.8360  -0.0045  2.2571  0.5495   3.1565  11.439  5.2993 13.067  6.1241 -1.628357      8.098590 
1 1 1 31 7  7  o 16.438  5.6876 3.1362   1.7850  3.4775   2.4174  2.7271   2.6468  16.423  6.4411 15.118  6.4178 1.305191       9.092656 
1 1 1 31 7  8  o 9.6568  4.5660 -0.8582  1.8248  -0.5374  2.2963  -1.4078  3.0058  10.942  5.1578 11.392  5.5105 -0.4505949     7.547754 
1 1 1 31 7  9  o 27.268  5.2424 7.8758   2.1596  7.8892   2.8047  7.8564   3.3845  24.391  6.9810 22.117  7.8194 2.273586       10.48221 
1 1 1 31 7  10 o 35.674  4.6166 12.696   2.5213  12.312   3.2185  13.305   4.0563  31.649  6.6960 28.962  8.4263 2.686758       10.76287 
1 1 1 31 7  11 o 26.940  5.7138 8.1348   2.3383  9.4803   3.0671  6.2672   3.6135  26.422  7.2058 18.867  7.7088 7.555223       10.55220 
1 1 1 31 7  12 o 11.210  5.2333 -0.0961  2.2681  1.4604   2.8562  -2.7533  3.7319  13.425  6.1236 11.458  5.6639 1.966126       8.341358 
1 1 1 32 0  0  o 34.146  8.3502 11.129   3.8719  11.129   3.8719  11.129   3.8719  34.146  8.3502 34.146  8.3502 0.000000       0.000000 
1 1 1 32 0  1  o 32.228  6.4529 9.6187   2.8921  9.6187   2.8921  9.6187   2.8921  32.228  6.4529 32.228  6.4529 0.000000       0.000000 
1 1 1 32 0  2  o 11.054  6.8915 0.9641   2.4282  0.9641   2.4282  0.9641   2.4282  11.054  6.8915 11.054  6.8915 0.000000       0.000000 
1 1 1 32 0  3  o 5.7654  4.1815 -3.9838  2.0623  -3.9838  2.0623  -3.9838  2.0623  5.7654  4.1815 5.7654  4.1815 0.000000       0.000000 
1 1 1 32 0  4  o 13.460  7.1903 2.3208   2.0694  2.3208   2.0694  2.3208   2.0694  13.460  7.1903 13.460  7.1903 0.000000       0.000000 
1 1 1 32 0  5  o 8.8841  5.8355 -0.0828  2.0481  -0.0828  2.0481  -0.0828  2.0481  8.8841  5.8355 8.8841  5.8355 0.000000       0.000000 
1 1 1 32 0  6  o 29.371  4.7400 7.5479   2.0120  7.5479   2.0120  7.5479   2.0120  29.371  4.7400 29.371  4.7400 0.000000       0.000000 
1 1 1 32 0  7  o 9.8608  6.0847 0.7923   1.8443  0.7923   1.8443  0.7923   1.8443  9.8608  6.0847 9.8608  6.0847 0.000000       0.000000 
1 1 1 32 0  8  o 14.988  7.1224 2.8375   1.9071  2.8375   1.9071  2.8375   1.9071  14.988  7.1224 14.988  7.1224 0.000000       0.000000 
1 1 1 32 0  9  o 54.461  2.7575 23.816   2.3405  23.816   2.3405  23.816   2.3405  54.461  2.7575 54.461  2.7575 0.000000       0.000000 
1 1 1 32 0  10 o 29.273  4.6363 7.4808   1.9679  7.4808   1.9679  7.4808   1.9679  29.273  4.6363 29.273  4.6363 0.000000       0.000000 
1 1 1 32 0  11 o 10.245  6.1878 1.0190   1.8203  1.0190   1.8203  1.0190   1.8203  10.245  6.1878 10.245  6.1878 0.000000       0.000000 
1 1 1 32 0  12 o 6.3537  4.4997 -2.1473  1.8559  -2.1473  1.8559  -2.1473  1.8559  6.3537  4.4997 6.3537  4.4997 0.000000       0.000000 
1 1 1 32 0  13 o 10.857  6.3853 1.3040   1.8433  1.3040   1.8433  1.3040   1.8433  10.857  6.3853 10.857  6.3853 0.000000       0.000000 
1 1 1 32 0  14 o 7.2180  4.9742 -1.1623  1.8688  -1.1623  1.8688  -1.1623  1.8688  7.2180  4.9742 7.2180  4.9742 0.000000       0.000000 
1 1 1 32 0  15 o 42.654  3.2979 14.879   2.1749  14.879   2.1749  14.879   2.1749  42.654  3.2979 42.654  3.2979 0.000000       0.000000 
1 1 1 32 0  16 o 7.8753  5.2936 -0.5198  1.8565  -0.5198  1.8565  -0.5198  1.8565  7.8753  5.2936 7.8753  5.2936 0.000000       0.000000 
1 1 1 32 0  17 o 10.837  6.3779 1.3117   1.8414  1.3117   1.8414  1.3117   1.8414  10.837  6.3779 10.837  6.3779 0.000000       0.000000 
1 1 1 32 0  18 o 10.199  6.2425 0.9599   1.9064  0.9599   1.9064  0.9599   1.9064  10.199  6.2425 10.199  6.2425 0.000000       0.000000 
1 1 1 32 0  19 o 8.0449  5.4326 -0.6324  1.9984  -0.6324  1.9984  -0.6324  1.9984  8.0449  5.4326 8.0449  5.4326 0.000000       0.000000 
1 1 1 32 0  20 f 8.3846  5.6171 -0.4404  2.0584  -0.4404  2.0584  -0.4404  2.0584  8.3846  5.6171 8.3846  5.6171 0.000000       0.000000 
1 1 1 32 0  21 o 11.949  6.7140 1.7954   1.9041  1.7954   1.9041  1.7954   1.9041  11.949  6.7140 11.949  6.7140 0.000000       0.000000 
1 1 1 32 0  22 o 7.5772  5.1405 -0.6986  1.8310  -0.6986  1.8310  -0.6986  1.8310  7.5772  5.1405 7.5772  5.1405 0.000000       0.000000 
1 1 1 32 0  23 o 7.9583  5.3253 -0.3896  1.8408  -0.3896  1.8408  -0.3896  1.8408  7.9583  5.3253 7.9583  5.3253 0.000000       0.000000 
1 1 1 32 0  24 o 15.977  7.2136 3.2358   1.9411  3.2358   1.9411  3.2358   1.9411  15.977  7.2136 15.977  7.2136 0.000000       0.000000 
1 1 1 32 0  25 o 42.133  3.3837 14.623   2.2018  14.623   2.2018  14.623   2.2018  42.133  3.3837 42.133  3.3837 0.000000       0.000000 
1 1 1 32 0  26 o 52.834  2.9796 22.645   2.4499  22.645   2.4499  22.645   2.4499  52.834  2.9796 52.834  2.9796 0.000000       0.000000 
1 1 1 32 0  27 o 34.799  4.0917 10.318   2.1513  10.318   2.1513  10.318   2.1513  34.799  4.0917 34.799  4.0917 0.000000       0.000000 
1 1 1 32 0  28 o 9.6684  6.0942 0.6782   1.9552  0.6782   1.9552  0.6782   1.9552  9.6684  6.0942 9.6684  6.0942 0.000000       0.000000 
1 1 1 32 0  29 o 41.771  3.4744 14.459   2.2389  14.459   2.2389  14.459   2.2389  41.771  3.4744 41.771  3.4744 0.000000       0.000000 
1 1 1 32 0  30 o 9.6969  6.2548 0.4591   2.2071  0.4591   2.2071  0.4591   2.2071  9.6969  6.2548 9.6969  6.2548 0.000000       0.000000 
1 1 1 32 0  31 o 14.182  7.0456 2.7004   1.8948  2.7004   1.8948  2.7004   1.8948  14.182  7.0456 14.182  7.0456 0.000000       0.000000 
1 1 1 32 0  32 o 9.7153  6.0710 0.8102   1.8954  0.8102   1.8954  0.8102   1.8954  9.7153  6.0710 9.7153  6.0710 0.000000       0.000000 
1 1 1 32 0  33 o 5.6960  4.1050 -2.9418  1.8360  -2.9418  1.8360  -2.9418  1.8360  5.6960  4.1050 5.6960  4.1050 0.000000       0.000000 
1 1 1 32 0  34 o 28.191  5.1329 7.3190   2.0457  7.3190   2.0457  7.3190   2.0457  28.191  5.1329 28.191  5.1329 0.000000       0.000000 
1 1 1 32 0  35 o 14.246  7.0676 2.7978   1.9057  2.7978   1.9057  2.7978   1.9057  14.246  7.0676 14.246  7.0676 0.000000       0.000000 
1 1 1 32 0  36 o 9.8218  6.1815 0.8701   2.0030  0.8701   2.0030  0.8701   2.0030  9.8218  6.1815 9.8218  6.1815 0.000000       0.000000 
1 1 1 32 0  37 o 13.090  6.8118 2.4171   1.8194  2.4171   1.8194  2.4171   1.8194  13.090  6.8118 13.090  6.8118 0.000000       0.000000 
1 1 1 32 1  0  o 28.282  5.7280 7.3729   2.2489  7.3729   2.2489  7.3729   2.2489  28.282  5.7280 28.282  5.7280 0.000000       0.000000 
1 1 1 32 1  1  o 26.683  3.5518 6.1193   1.4488  6.8854   2.0686  5.3816   2.0298  27.208  5.0352 23.537  5.5851 3.670614       7.519732 
1 1 1 32 1  2  o 24.078  4.1055 5.1405   1.4941  4.9166   2.1966  5.3333   2.0383  22.009  6.1360 23.391  5.6271 -1.381655      8.325547 
1 1 1 32 1  3  o 7.9721  3.8716 -2.1725  1.5229  -0.7975  2.2884  -3.2656  2.0404  11.618  5.3659 8.8101  4.3219 2.807796       6.890018 
1 1 1 32 1  4  o 24.357  4.2530 5.3026   1.5648  5.1519   2.2141  5.4530   2.2119  22.554  6.1104 23.314  6.0128 -0.7599182     8.572665 
1 1 1 32 1  5  o 19.273  4.9220 3.4948   1.4924  3.2900   2.0743  3.7146   2.1488  18.124  6.1351 19.089  6.2387 -0.9646702     8.749898 
1 1 1 32 1  6  o 18.821  5.2053 3.3952   1.5875  4.3547   2.1812  2.3146   2.3148  20.598  6.2266 16.104  6.3066 4.494202       8.862504 
1 1 1 32 1  7  o 32.095  3.6447 8.8725   1.8013  10.265   2.6832  7.7305   2.4303  32.936  5.3827 28.219  5.6902 4.717426       7.832764 
1 1 1 32 1  8  o 22.485  4.5739 4.6293   1.5574  4.3197   2.2361  4.9209   2.1703  20.415  6.3300 22.004  6.0866 -1.589514      8.781565 
1 1 1 32 1  9  o 30.564  3.4316 7.9799   1.6158  8.4553   2.3140  7.5275   2.2573  30.095  5.0859 28.168  5.3066 1.927656       7.350285 
1 1 1 32 1  10 o 21.327  4.8485 4.2563   1.5843  4.8318   2.2281  3.6676   2.2533  21.639  6.2305 18.832  6.3942 2.806606       8.927697 
1 1 1 32 1  11 o 24.886  4.2064 5.5391   1.5825  6.4480   2.3069  4.7311   2.1750  25.443  5.8987 21.462  6.1490 3.980078       8.520795 
1 1 1 32 1  12 o 31.743  3.1488 8.5061   1.5463  9.0272   2.3151  8.0863   2.0777  31.251  4.8855 29.812  4.5931 1.438997       6.705616 
1 1 1 32 1  13 o 8.8739  4.0799 -0.6224  1.3018  -1.2121  1.8961  -0.0966  1.7904  10.082  4.7318 11.153  4.9891 -1.070931      6.876137 
1 1 1 32 1  14 o 34.460  2.9850 9.9535   1.5966  10.409   2.3754  9.5779   2.1565  33.829  4.5982 32.703  4.3115 1.126534       6.303370 
1 1 1 32 1  15 o 12.635  4.9088 1.2070   1.3939  0.1529   1.8751  2.5087   2.0838  11.704  5.1782 16.218  6.0733 -4.513860      7.981163 
1 1 1 32 1  16 o 33.975  2.8222 9.6208   1.4896  10.912   2.0917  8.2920   2.1217  35.342  3.8371 30.074  4.6503 5.267481       6.028933 
1 1 1 32 1  17 o 56.508  1.9929 25.752   1.7654  25.762   2.5307  25.742   2.4640  55.576  2.9148 55.645  2.8340 -0.6967163E-01 4.065447 
1 1 1 32 1  18 o 34.861  2.7709 10.114   1.5018  11.660   2.2098  8.7875   2.0472  36.416  3.9333 31.266  4.2897 5.150414       5.820003 
1 1 1 32 1  19 o 11.641  4.7993 0.7654   1.4164  0.2567   2.0804  1.2050   1.9340  12.262  5.4381 13.466  5.5847 -1.203916      7.794978 
1 1 1 32 1  20 o 8.3364  3.9667 -1.3629  1.4200  -1.0223  1.9244  -1.7701  2.1039  10.305  4.8141 10.063  4.7994 0.2417278      6.797822 
1 1 1 32 1  21 o 17.581  4.9449 2.9741   1.4200  0.8445   1.9571  5.3412   2.0634  12.862  5.4907 23.007  5.7398 -10.14532      7.943152 
1 1 1 32 1  22 o 13.684  4.9669 1.6578   1.3754  2.2460   1.9464  1.0711   1.9439  15.457  5.8520 13.195  5.5450 2.261616       8.061832 
1 1 1 32 1  23 o 13.199  4.9207 1.4864   1.3649  1.4371   1.9663  1.5323   1.8961  13.848  5.6756 13.937  5.6244 -0.8857918E-01 7.990425 
1 1 1 32 1  24 o 26.650  3.6422 6.2245   1.4818  6.9060   2.1103  5.5618   2.0811  26.700  5.2289 23.413  5.7191 3.286430       7.749173 
1 1 1 32 1  25 o 42.913  2.4039 15.147   1.6106  14.435   2.2702  15.868   2.2855  40.737  3.5915 42.910  3.4261 -2.173016      4.963579 
1 1 1 32 1  26 f 39.183  2.5232 12.708   1.5417  15.661   2.3089  10.332   2.0710  42.511  3.4955 34.041  3.9544 8.470058       5.277860 
1 1 1 32 1  27 o 27.700  3.4816 6.6970   1.4785  5.7720   2.1570  7.5166   2.0304  23.555  5.8641 28.206  4.7615 -4.650431      7.553837 
1 1 1 32 1  28 f 44.730  2.2633 16.414   1.5819  15.516   2.2917  17.232   2.1863  42.215  3.4944 44.946  3.1222 -2.731186      4.686016 
1 1 1 32 1  29 o 35.795  2.8002 10.796   1.5588  9.9687   2.1828  11.657   2.2268  32.864  4.3433 35.931  4.0222 -3.067295      5.919723 
1 1 1 32 1  30 o 22.672  4.0677 4.7216   1.3926  5.7857   2.0193  3.7565   1.9231  23.720  5.5320 18.622  5.8852 5.098352       8.077036 
1 1 1 32 1  31 o 7.8085  3.7402 -1.3512  1.3077  0.3394   1.9224  -2.8073  1.7841  11.681  5.2014 8.1273  3.9978 3.553513       6.560271 
1 1 1 32 1  32 o 30.593  3.0820 8.0817   1.4580  7.3776   2.1228  8.7105   2.0060  27.110  5.1837 30.507  4.3149 -3.396477      6.744500 
1 1 1 32 1  33 o 19.555  4.6812 3.7779   1.4160  3.4444   2.0546  4.0795   1.9542  17.334  6.0962 19.054  5.9192 -1.719704      8.497084 
1 1 1 32 1  34 o 7.5649  3.6987 -2.0817  1.4571  -3.3614  2.0848  -0.8596  2.0373  8.5057  4.2096 10.330  4.8661 -1.824663      6.434228 
1 1 1 32 1  35 o 13.173  5.0397 1.6718   1.4530  1.0578   2.0934  2.2427   2.0184  12.648  5.5377 14.553  5.8277 -1.904730      8.039168 
1 1 1 32 2  0  o 20.252  7.0681 4.5526   2.0299  4.5526   2.0299  4.5526   2.0299  20.252  7.0681 20.252  7.0681 0.000000       0.000000 
1 1 1 32 2  1  o 18.974  4.7266 3.3940   1.4007  2.6345   1.9163  4.2653   2.0526  16.401  5.8746 20.316  6.0177 -3.915289      8.409751 
1 1 1 32 2  2  o 42.878  2.3747 15.049   1.5900  14.407   2.2465  15.694   2.2507  40.918  3.5369 42.884  3.3752 -1.966137      4.888982 
1 1 1 32 2  3  o 10.825  4.6463 0.3539   1.4150  -0.5273  1.9459  1.3429   2.0614  10.945  5.0159 13.906  5.7665 -2.961309      7.642747 
1 1 1 32 2  4  o 70.531  1.8187 39.945   2.0110  42.418   2.9163  37.704   2.7767  71.805  2.5908 67.665  2.6176 4.140121       3.682935 
1 1 1 32 2  5  o 35.680  2.7398 10.584   1.5208  12.356   2.2069  8.9820   2.0986  37.618  3.7941 31.530  4.3626 6.087549       5.781611 
1 1 1 32 2  6  o 11.908  4.7952 0.9298   1.3749  1.5298   2.0026  0.3948   1.8911  14.143  5.7541 12.049  5.2697 2.093325       7.802526 
1 1 1 32 2  7  o 33.872  2.8472 9.5910   1.4979  10.996   2.1608  8.2916   2.0782  35.287  3.9754 30.103  4.5454 5.183477       6.038558 
1 1 1 32 2  8  o 12.994  4.9612 1.3678   1.4063  1.0663   2.0017  1.6616   1.9763  13.319  5.6136 14.345  5.7587 -1.025397      8.042037 
1 1 1 32 2  9  o 11.941  4.8146 0.9378   1.3880  1.0179   1.9641  0.8579   1.9617  13.170  5.5561 12.901  5.5020 0.2684755      7.819351 
1 1 1 32 2  10 o 10.250  4.5266 0.0239   1.4264  0.3605   2.1116  -0.2587  1.9345  12.439  5.4995 11.219  5.0873 1.219907       7.491689 
1 1 1 32 2  11 o 19.764  4.8910 3.7347   1.5072  6.2465   2.2655  1.7403   2.0187  24.765  5.9165 14.513  5.8223 10.25183       8.300916 
1 1 1 32 2  12 o 17.944  5.0482 3.1253   1.4798  3.8896   2.0917  2.3595   2.0938  19.216  6.1446 15.766  6.0455 3.450263       8.620014 
1 1 1 32 2  13 o 13.483  5.2578 1.4811   1.6037  0.8722   2.3902  1.9796   2.1629  13.601  5.9369 15.065  6.0326 -1.464292      8.464035 
1 1 1 32 2  14 o 19.723  4.9382 3.7436   1.5234  2.1796   2.0958  5.4957   2.2183  15.380  6.0069 22.955  6.0711 -7.574970      8.540533 
1 1 1 32 2  15 o 35.043  3.4349 10.584   1.8628  9.8635   2.3514  11.797   3.0523  32.559  4.7465 34.281  5.8920 -1.722389      7.566008 
1 1 1 32 2  16 o 10.754  4.7794 0.0296   1.6151  0.7639   2.2089  -0.8139  2.3676  13.113  5.7162 11.550  5.3770 1.562799       7.847759 
1 1 1 32 2  17 o 8.1733  3.9350 -1.7290  1.4900  -3.5125  2.0907  0.1118   2.1239  8.6683  4.2762 12.056  5.4105 -3.387420      6.896328 
1 1 1 32 2  18 o 33.087  3.3177 9.4099   1.6977  12.209   2.4387  6.7778   2.3649  36.652  4.3278 25.580  6.0008 11.07133       7.398602 
1 1 1 32 2  19 o 11.257  4.8261 0.4925   1.5236  1.6820   2.3095  -0.4242  2.0274  14.568  6.0775 11.150  5.1135 3.418368       7.942524 
1 1 1 32 2  20 o 25.690  3.9922 5.9368   1.5556  4.3519   2.3153  7.2411   2.1003  19.777  6.4765 27.398  5.0770 -7.621492      8.229282 
1 1 1 32 2  21 o 19.043  5.0683 3.5804   1.5397  2.7352   2.2367  4.3418   2.1228  16.317  6.2504 20.010  6.1616 -3.693426      8.776793 
1 1 1 32 2  22 o 19.057  4.8751 3.5420   1.4623  3.3985   2.2095  3.6539   1.9507  17.645  6.3093 18.504  5.9358 -0.8591690     8.662605 
1 1 1 32 2  23 o 19.475  4.6841 3.6514   1.4126  4.3980   2.2678  3.1781   1.8057  19.772  6.4061 17.409  5.7204 2.363297       8.588387 
1 1 1 32 2  24 o 27.427  3.3924 6.5703   1.4275  8.1119   2.1149  5.2803   1.9346  29.136  4.7973 22.716  5.4929 6.419954       7.292905 
1 1 1 32 2  25 o 26.182  3.5464 6.0627   1.4181  9.1580   2.1123  3.5225   1.9136  31.330  4.4237 18.036  5.8870 13.29440       7.363778 
1 1 1 32 2  26 o 18.802  4.7601 3.4747   1.4044  3.3333   2.0657  3.5961   1.9151  17.329  6.1107 18.143  5.8878 -0.8145409     8.485660 
1 1 1 32 2  27 o 48.583  2.1739 19.354   1.6556  20.233   2.4533  18.618   2.2436  48.287  3.2600 46.538  3.0928 1.748951       4.493683 
1 1 1 32 2  28 o 38.310  2.7375 12.420   1.6332  12.351   2.2492  12.498   2.3754  36.776  3.9641 36.679  4.2071 0.9671402E-01  5.780467 
1 1 1 32 2  29 o 21.845  4.9144 4.7882   1.6422  3.4234   2.5847  5.7121   2.1267  16.821  6.6401 22.744  5.9104 -5.923094      8.889569 
1 1 1 32 2  30 o 19.103  5.1551 3.8189   1.5796  3.1167   2.2500  4.5013   2.2181  16.304  6.2634 19.333  6.3394 -3.028976      8.911688 
1 1 1 32 2  31 o 11.975  5.1643 0.9086   1.7641  -0.2146  2.3815  2.2745   2.6262  11.564  5.3865 14.755  6.3313 -3.190933      8.312614 
1 1 1 32 3  0  o 14.882  7.1729 2.8967   1.9412  2.8967   1.9412  2.8967   1.9412  14.882  7.1729 14.882  7.1729 0.000000       0.000000 
1 1 1 32 3  1  o 16.454  4.8474 2.6130   1.3349  1.6500   1.8491  3.6612   1.9291  14.045  5.5935 18.705  5.8927 -4.659702      8.124672 
1 1 1 32 3  2  o 26.013  3.5684 5.9222   1.4168  6.1704   2.0720  5.7042   1.9417  24.925  5.4543 24.095  5.2857 0.8299084      7.595268 
1 1 1 32 3  3  o 32.121  2.9519 8.7146   1.4698  11.145   2.1594  6.6168   2.0062  35.387  3.9605 26.226  5.0630 9.161480       6.428045 
1 1 1 32 3  4  o 13.126  4.9201 1.4779   1.3682  0.9027   2.0460  1.9432   1.8402  12.994  5.5822 14.634  5.6528 -1.639965      7.944530 
1 1 1 32 3  5  o 54.282  1.9991 23.849   1.7012  22.884   2.4514  24.746   2.3626  52.065  3.0164 54.442  2.7775 -2.377274      4.100349 
1 1 1 32 3  6  o 20.429  4.4924 3.9118   1.3996  3.1450   2.0986  4.5261   1.8783  17.282  6.1522 21.076  5.5924 -3.793247      8.314061 
1 1 1 32 3  7  o 26.170  3.5449 5.9931   1.4169  8.3022   2.0841  4.0085   1.9321  29.883  4.5961 19.567  5.8482 10.31583       7.438065 
1 1 1 32 3  8  o 35.917  2.6863 10.763   1.5016  11.751   2.1948  9.8937   2.0589  36.356  3.9124 33.216  4.0369 3.140045       5.621716 
1 1 1 32 3  9  o 10.642  4.5478 0.4133   1.3453  1.1512   1.9543  -0.2513  1.8546  13.215  5.5570 10.922  4.9636 2.293520       7.451014 
1 1 1 32 3  10 o 40.831  2.4118 13.744   1.5369  12.855   2.2299  14.549   2.1213  38.163  3.7769 41.133  3.3179 -2.970913      5.027250 
1 1 1 32 3  11 o 26.637  3.4997 6.2036   1.4260  8.1428   2.0821  4.4904   1.9571  29.478  4.6606 20.730  5.7962 8.747646       7.437593 
1 1 1 32 3  12 o 23.141  4.0274 4.8571   1.4080  2.9066   1.9969  6.7856   1.9856  16.693  5.9950 26.580  4.9473 -9.886580      7.772708 
1 1 1 32 3  13 o 22.408  3.9731 4.5488   1.3446  5.8316   1.9211  3.3169   1.8827  24.338  5.1932 17.737  5.8417 6.601171       7.816283 
1 1 1 32 3  14 o 15.952  4.9238 2.4932   1.3547  2.8526   1.8979  2.1199   1.9343  16.559  5.8552 14.934  5.7880 1.625021       8.233123 
1 1 1 32 3  15 o 27.479  3.3527 6.5668   1.4143  5.2416   1.9862  7.9299   2.0143  22.534  5.6367 29.090  4.5676 -6.555363      7.255017 
1 1 1 32 3  16 o 17.197  4.8211 2.9002   1.3521  2.8499   1.8832  2.9537   1.9425  16.498  5.8328 16.712  5.9222 -0.2143326     8.312260 
1 1 1 32 3  17 o 8.7444  4.0383 -0.5892  1.2956  0.0192   1.8365  -1.1921  1.8281  11.133  5.0108 9.6791  4.5746 1.454095       6.784922 
1 1 1 32 3  18 f 21.449  4.4306 4.3486   1.4405  4.6274   2.1516  4.1222   1.9393  20.390  6.1888 19.547  5.8627 0.8430023      8.524870 
1 1 1 32 3  19 o 9.1132  4.1630 -0.3875  1.3260  0.5482   1.8663  -1.3416  1.8845  11.903  5.2196 9.6487  4.5848 2.254354       6.947330 
1 1 1 32 3  20 o 24.784  3.8566 5.5700   1.4497  6.3148   2.1228  4.9190   1.9846  24.618  5.6235 21.426  5.7768 3.192553       8.061962 
1 1 1 32 3  21 f 31.103  3.3270 8.4644   1.5971  12.307   2.2872  4.8082   2.2311  36.684  4.0443 20.439  6.3205 16.24487       7.503698 
1 1 1 32 3  22 o 16.397  5.0157 2.7417   1.4094  4.0318   2.0623  1.6112   1.9305  18.815  6.1100 13.636  5.6102 5.179203       8.295000 
1 1 1 32 3  23 o 7.5159  3.6615 -1.9101  1.3914  -2.6583  2.0437  -1.2636  1.8997  8.9008  4.3579 9.6638  4.5953 -0.7630587     6.333081 
1 1 1 32 3  24 o 52.963  2.8692 23.950   2.3733  24.337   3.2373  23.500   3.4898  51.359  4.0537 49.536  4.5446 1.823315       6.089803 
1 1 1 32 3  25 o 24.551  5.0493 6.1257   1.8785  6.7004   2.3877  5.1921   3.0432  24.093  6.2634 19.177  7.3038 4.916576       9.621612 
1 1 1 32 3  26 o 7.5817  3.7851 -3.7377  1.8378  -4.6830  2.2225  -1.6939  3.2679  8.1053  4.0635 11.786  5.7116 -3.680601      7.009591 
1 1 1 32 3  27 o 9.4453  4.4970 -1.1514  1.8305  -4.3325  2.1544  7.1091   3.4716  8.0779  4.0425 21.081  7.8499 -13.00264      8.829655 
1 1 1 32 4  0  o 41.920  3.2362 14.472   2.0976  14.472   2.0976  14.472   2.0976  41.920  3.2362 41.920  3.2362 0.000000       0.000000 
1 1 1 32 4  1  o 7.9905  3.8277 -1.4129  1.3702  0.1054   1.9692  -2.8379  1.9077  11.517  5.1858 8.4966  4.1704 3.020791       6.654622 
1 1 1 32 4  2  o 18.204  4.7079 3.2319   1.3535  3.7719   1.9219  2.7005   1.9066  18.668  5.8817 16.062  5.8452 2.605797       8.292160 
1 1 1 32 4  3  o 10.220  4.4106 0.3242   1.2886  0.0641   1.8808  0.5543   1.7690  11.268  5.0712 11.747  5.1182 -0.4791994     7.205135 
1 1 1 32 4  4  o 27.013  3.4132 6.3990   1.4131  7.3626   2.0235  5.4816   1.9744  27.621  4.8499 23.053  5.5337 4.568853       7.358193 
1 1 1 32 4  5  o 20.109  4.6815 3.9177   1.4482  3.5774   2.1383  4.2062   1.9684  17.879  6.2229 19.683  5.9074 -1.803967      8.580282 
1 1 1 32 4  6  f 22.034  4.1142 4.4862   1.3689  4.6608   1.9288  4.3090   1.9431  20.966  5.7128 19.993  5.8363 0.9724236      8.166938 
1 1 1 32 4  7  o 37.319  2.5513 11.625   1.4836  11.583   2.1085  11.666   2.0881  35.970  3.7966 36.168  3.7365 -0.1987915     5.326864 
1 1 1 32 4  8  o 18.972  4.6754 3.5085   1.3816  2.9209   1.9751  4.0715   1.9333  16.466  5.9559 19.350  5.8651 -2.883230      8.358897 
1 1 1 32 4  9  o 8.2308  3.8784 -0.9516  1.2961  0.0117   1.8487  -1.8827  1.8176  11.080  5.0033 8.9502  4.3184 2.129480       6.609165 
1 1 1 32 4  10 o 20.175  4.4148 3.8808   1.3575  6.0467   1.9945  2.0114   1.8529  24.340  5.3710 14.447  5.6467 9.892938       7.793099 
1 1 1 32 4  11 o 14.107  4.9323 1.9352   1.3440  0.0497   1.8731  3.9365   1.9297  11.156  5.0371 18.920  5.8827 -7.764042      7.744565 
1 1 1 32 4  12 o 28.269  3.2804 6.9867   1.4267  9.0673   2.0818  5.1440   1.9592  31.051  4.3998 22.006  5.6501 9.044825       7.161164 
1 1 1 32 4  13 o 21.310  4.2693 4.2892   1.3765  3.5088   1.9591  5.0501   1.9345  17.717  5.9624 21.787  5.6251 -4.070955      8.197055 
1 1 1 32 4  14 o 14.839  4.9796 2.2136   1.3664  3.4835   1.9590  1.0104   1.9068  17.611  5.9621 12.559  5.3920 5.051980       8.038693 
1 1 1 32 4  15 o 41.316  2.3983 14.209   1.5467  15.357   2.2188  13.125   2.1572  41.732  3.4215 38.296  3.6369 3.436745       4.993351 
1 1 1 32 4  16 o 22.722  4.0151 4.8011   1.3779  6.0894   1.9629  3.5494   1.9348  24.286  5.3042 17.704  5.9255 6.581526       7.952762 
1 1 1 32 4  17 o 11.350  4.8216 0.7563   1.4957  3.6969   2.3503  -1.2454  1.9391  17.433  6.4653 9.7377  4.6340 7.695721       7.954545 
1 1 1 32 4  18 o 12.567  5.0285 1.3652   1.5015  2.3753   2.0361  0.1611   2.2230  14.915  5.8916 11.771  5.3822 3.144001       7.979881 
1 1 1 32 4  19 o 16.424  5.3060 2.9070   1.5567  3.0275   2.0927  2.7576   2.3292  16.137  6.0777 15.524  6.2448 0.6124477      8.714128 
1 1 1 32 4  20 o 16.697  5.4374 3.0716   1.6328  3.1813   2.2681  2.9535   2.3524  16.239  6.2749 15.775  6.3004 0.4643955      8.892127 
1 1 1 32 4  21 o 31.047  3.9821 9.0212   1.8935  10.499   2.4983  7.0267   2.9025  31.863  5.1794 22.553  7.2412 9.310675       8.902864 
1 1 1 32 4  22 o 14.595  5.4120 2.3202   1.6467  2.0971   2.2109  2.5982   2.4678  14.148  5.9277 14.967  6.2663 -0.8195753     8.625844 
1 1 1 32 4  23 f 20.590  5.2432 4.5954   1.6969  6.0563   2.3709  3.0609   2.4298  21.925  6.4602 15.599  6.3416 6.325523       9.052633 
1 1 1 32 5  0  o 27.656  5.2985 7.1214   2.0531  7.1214   2.0531  7.1214   2.0531  27.656  5.2985 27.656  5.2985 0.000000       0.000000 
1 1 1 32 5  1  o 19.040  4.7581 3.6481   1.4162  3.4685   1.9598  3.8444   2.0489  17.352  5.9622 18.111  6.0975 -0.7587643     8.528039 
1 1 1 32 5  2  o 17.517  4.9851 3.1766   1.4345  3.0356   1.9531  3.3417   2.1137  16.342  5.9208 16.868  6.1520 -0.5258083     8.538298 
1 1 1 32 5  3  o 14.666  5.0698 2.2131   1.4181  1.8076   1.9645  2.6542   2.0492  13.822  5.6700 15.460  5.9670 -1.637794      8.231307 
1 1 1 32 5  4  o 15.964  5.1412 2.6836   1.4623  2.5397   1.9950  2.8506   2.1497  15.230  5.8850 15.805  6.1085 -0.5752935     8.482124 
1 1 1 32 5  5  o 24.471  3.8689 5.5318   1.4349  6.2807   2.0456  4.8065   2.0132  24.295  5.4991 20.563  5.9229 3.732481       8.082117 
1 1 1 32 5  6  o 41.748  2.3801 14.556   1.5513  16.318   2.2881  13.057   2.1103  42.826  3.4371 38.110  3.5741 4.716251       4.958579 
1 1 1 32 5  7  o 10.491  4.5169 0.5001   1.3452  3.4521   1.9412  -2.2269  1.8657  17.250  5.9334 8.6613  4.2240 8.588633       7.283402 
1 1 1 32 5  8  o 16.309  4.9278 2.7664   1.3663  1.7906   1.9409  3.7249   1.9237  13.697  5.6292 17.923  5.9052 -4.225930      8.158363 
1 1 1 32 5  9  o 15.007  5.0935 2.3683   1.4298  1.0803   1.9146  3.9924   2.1499  12.445  5.3734 18.101  6.2432 -5.656284      8.237195 
1 1 1 32 5  10 o 17.698  5.3179 3.4076   1.5945  3.0355   2.1723  3.8423   2.3479  15.987  6.1512 17.423  6.4620 -1.436216      8.921567 
1 1 1 32 5  11 o 11.522  4.8701 0.9035   1.5136  0.3207   2.0748  1.5667   2.2131  11.576  5.2566 13.428  5.7876 -1.852360      7.818413 
1 1 1 32 5  12 o 10.288  4.5788 0.2374   1.4877  1.4434   2.0371  -1.1409  2.1778  13.058  5.5889 10.234  4.8814 2.824238       7.420508 
1 1 1 32 5  13 o 11.539  5.0320 0.7600   1.7135  -0.0511  2.1380  2.2167   2.8651  11.194  5.1758 14.531  6.4163 -3.337782      8.243611 
1 1 1 32 5  14 o 10.886  4.8755 0.3497   1.7152  1.7682   2.2241  -1.7317  2.6942  13.599  5.8305 10.694  5.1834 2.904552       7.801428 
1 1 1 32 5  15 o 35.333  3.5367 11.373   1.9327  10.213   2.4351  13.347   3.1770  31.232  5.1532 33.957  6.1964 -2.725090      8.059176 
1 1 1 32 5  16 o 22.767  5.2469 5.5973   1.8342  7.1154   2.3054  2.9784   3.0279  24.642  6.0195 15.211  6.6599 9.430366       8.977123 
1 1 1 32 6  0  o 9.2262  6.3737 -1.0755  3.1126  -1.0755  3.1126  -1.0755  3.1126  9.2262  6.3737 9.2262  6.3737 0.000000       0.000000 
1 1 1 32 6  1  o 21.183  6.0229 5.4776   2.0948  4.5186   2.6985  6.9318   3.3230  17.453  6.8163 20.133  7.6407 -2.680403      10.23930 
1 1 1 32 6  2  o 23.067  5.7529 6.1761   2.0733  2.7869   2.6593  11.430   3.3108  14.810  6.3633 28.765  7.3230 -13.95471      9.701468 
1 1 1 32 6  3  o 35.122  4.2133 12.029   2.2735  9.9980   2.9338  15.084   3.5973  27.796  6.7907 34.237  6.9398 -6.440834      9.709497 
1 1 1 33 0  0  o 15.028  8.2835 2.7732   2.8337  2.7732   2.8337  2.7732   2.8337  15.028  8.2835 15.028  8.2835 0.000000       0.000000 
1 1 1 33 0  1  o 15.947  7.3261 3.2389   2.0057  3.2389   2.0057  3.2389   2.0057  15.947  7.3261 15.947  7.3261 0.000000       0.000000 
1 1 1 33 0  2  o 11.407  6.6409 1.5380   1.9601  1.5380   1.9601  1.5380   1.9601  11.407  6.6409 11.407  6.6409 0.000000       0.000000 
1 1 1 33 0  3  o 8.6553  5.7547 -0.2644  2.0903  -0.2644  2.0903  -0.2644  2.0903  8.6553  5.7547 8.6553  5.7547 0.000000       0.000000 
1 1 1 33 0  4  o 8.4309  5.5828 -0.1901  1.9354  -0.1901  1.9354  -0.1901  1.9354  8.4309  5.5828 8.4309  5.5828 0.000000       0.000000 
1 1 1 33 0  5  o 8.9154  5.7720 0.2091   1.9032  0.2091   1.9032  0.2091   1.9032  8.9154  5.7720 8.9154  5.7720 0.000000       0.000000 
1 1 1 33 0  6  o 10.486  6.3990 1.0684   1.9895  1.0684   1.9895  1.0684   1.9895  10.486  6.3990 10.486  6.3990 0.000000       0.000000 
1 1 1 33 0  7  o 31.052  4.6672 8.4368   2.1206  8.4368   2.1206  8.4368   2.1206  31.052  4.6672 31.052  4.6672 0.000000       0.000000 
1 1 1 33 0  8  o 10.689  6.4106 1.2185   1.9260  1.2185   1.9260  1.2185   1.9260  10.689  6.4106 10.689  6.4106 0.000000       0.000000 
1 1 1 33 0  9  o 12.770  6.9734 2.1261   1.9870  2.1261   1.9870  2.1261   1.9870  12.770  6.9734 12.770  6.9734 0.000000       0.000000 
1 1 1 33 0  10 o 35.082  4.3407 10.537   2.2890  10.537   2.2890  10.537   2.2890  35.082  4.3407 35.082  4.3407 0.000000       0.000000 
1 1 1 33 0  11 o 8.5278  5.7332 -0.5148  2.1797  -0.5148  2.1797  -0.5148  2.1797  8.5278  5.7332 8.5278  5.7332 0.000000       0.000000 
1 1 1 33 0  12 o 6.8461  4.8260 -2.0639  2.0552  -2.0639  2.0552  -2.0639  2.0552  6.8461  4.8260 6.8461  4.8260 0.000000       0.000000 
1 1 1 33 0  13 o 6.4026  4.5835 -2.9761  2.1282  -2.9761  2.1282  -2.9761  2.1282  6.4026  4.5835 6.4026  4.5835 0.000000       0.000000 
1 1 1 33 0  14 o 46.772  4.1204 18.337   2.9672  18.337   2.9672  18.337   2.9672  46.772  4.1204 46.772  4.1204 0.000000       0.000000 
1 1 1 33 0  15 o 31.771  6.0095 9.3652   2.6809  9.3652   2.6809  9.3652   2.6809  31.771  6.0095 31.771  6.0095 0.000000       0.000000 
1 1 1 33 0  16 o 7.7916  5.4130 -1.5881  2.3270  -1.5881  2.3270  -1.5881  2.3270  7.7916  5.4130 7.7916  5.4130 0.000000       0.000000 
1 1 1 33 0  17 o 45.127  3.8216 16.963   2.6589  16.963   2.6589  16.963   2.6589  45.127  3.8216 45.127  3.8216 0.000000       0.000000 
1 1 1 33 0  18 o 10.091  6.3848 0.7279   2.1688  0.7279   2.1688  0.7279   2.1688  10.091  6.3848 10.091  6.3848 0.000000       0.000000 
1 1 1 33 0  19 o 9.8240  6.2786 0.5662   2.1605  0.5662   2.1605  0.5662   2.1605  9.8240  6.2786 9.8240  6.2786 0.000000       0.000000 
1 1 1 33 0  20 o 9.9599  6.3553 0.6227   2.2027  0.6227   2.2027  0.6227   2.2027  9.9599  6.3553 9.9599  6.3553 0.000000       0.000000 
1 1 1 33 0  21 o 16.746  7.8703 3.7569   2.3221  3.7569   2.3221  3.7569   2.3221  16.746  7.8703 16.746  7.8703 0.000000       0.000000 
1 1 1 33 0  22 o 8.3651  5.5797 -0.2674  1.9930  -0.2674  1.9930  -0.2674  1.9930  8.3651  5.5797 8.3651  5.5797 0.000000       0.000000 
1 1 1 33 0  23 o 12.917  7.0613 2.2595   2.0399  2.2595   2.0399  2.2595   2.0399  12.917  7.0613 12.917  7.0613 0.000000       0.000000 
1 1 1 33 0  24 o 25.010  6.0543 6.1407   2.0576  6.1407   2.0576  6.1407   2.0576  25.010  6.0543 25.010  6.0543 0.000000       0.000000 
1 1 1 33 0  25 o 8.1869  5.5019 -0.4010  2.0035  -0.4010  2.0035  -0.4010  2.0035  8.1869  5.5019 8.1869  5.5019 0.000000       0.000000 
1 1 1 33 0  26 f 14.309  7.2338 2.8198   2.0151  2.8198   2.0151  2.8198   2.0151  14.309  7.2338 14.309  7.2338 0.000000       0.000000 
1 1 1 33 0  27 o 5.1652  3.7780 -4.3570  1.9088  -4.3570  1.9088  -4.3570  1.9088  5.1652  3.7780 5.1652  3.7780 0.000000       0.000000 
1 1 1 33 0  28 o 64.908  2.7122 34.126   2.7488  34.126   2.7488  34.126   2.7488  64.908  2.7122 64.908  2.7122 0.000000       0.000000 
1 1 1 33 0  29 o 15.442  7.5933 3.3645   2.1918  3.3645   2.1918  3.3645   2.1918  15.442  7.5933 15.442  7.5933 0.000000       0.000000 
1 1 1 33 0  30 o 9.6632  6.2536 0.5600   2.2310  0.5600   2.2310  0.5600   2.2310  9.6632  6.2536 9.6632  6.2536 0.000000       0.000000 
1 1 1 33 0  31 o 9.5550  6.3811 0.0415   2.6206  0.0415   2.6206  0.0415   2.6206  9.5550  6.3811 9.5550  6.3811 0.000000       0.000000 
1 1 1 33 0  32 o 38.509  4.5996 13.165   2.6721  13.165   2.6721  13.165   2.6721  38.509  4.5996 38.509  4.5996 0.000000       0.000000 
1 1 1 33 1  0  o 35.027  4.0767 10.424   2.1594  10.424   2.1594  10.424   2.1594  35.027  4.0767 35.027  4.0767 0.000000       0.000000 
1 1 1 33 1  1  o 15.894  5.1403 2.4575   1.4606  3.8103   2.1095  1.2117   2.0244  18.891  6.1817 13.492  5.6635 5.398901       8.383892 
1 1 1 33 1  2  o 9.4160  4.2696 -0.3450  1.3624  0.2051   1.8804  -0.9529  1.9766  11.655  5.1694 10.456  4.8828 1.198674       7.110845 
1 1 1 33 1  3  o 26.456  3.7042 6.1624   1.4942  6.7365   2.1082  5.5831   2.1179  26.265  5.3029 23.342  5.8106 2.923714       7.866589 
1 1 1 33 1  4  o 41.730  2.6539 14.467   1.7271  15.166   2.5777  13.898   2.3266  41.254  4.0375 39.779  3.7761 1.474941       5.528150 
1 1 1 33 1  5  o 19.704  4.7115 3.6941   1.4357  7.0879   2.0400  0.3638   2.0208  27.296  4.9496 12.173  5.3811 15.12335       7.311249 
1 1 1 33 1  6  o 27.252  3.6300 6.5114   1.5122  4.6048   2.0980  8.5732   2.1817  20.860  6.0574 30.259  4.7562 -9.399000      7.701496 
1 1 1 33 1  7  o 10.740  4.6189 0.3705   1.4034  2.3590   2.0360  -1.4295  1.9370  15.624  5.9685 9.8526  4.6720 5.771816       7.579617 
1 1 1 33 1  8  o 6.8560  3.4000 -2.8377  1.3858  -2.5981  1.9513  -3.0816  1.9685  8.8883  4.3314 8.5910  4.2206 0.2973614      6.047720 
1 1 1 33 1  9  o 28.300  3.4113 6.9415   1.4829  7.1548   2.1013  6.7298   2.0931  27.236  5.1091 26.234  5.2723 1.001329       7.341712 
1 1 1 33 1  10 o 14.709  5.0479 2.0568   1.4046  2.4297   2.0182  1.7064   1.9561  15.728  5.9580 14.239  5.7247 1.488892       8.262532 
1 1 1 33 1  11 o 10.226  4.5175 0.0628   1.4220  -2.9721  2.0094  3.1073   2.0126  8.7703  4.2997 17.213  6.0347 -8.442642      7.409743 
1 1 1 33 1  12 o 38.065  2.6347 12.061   1.5625  12.430   2.2023  11.687   2.2173  37.506  3.7979 36.172  3.9759 1.334743       5.498304 
1 1 1 33 1  13 o 30.010  3.2800 7.7614   1.5180  4.5264   2.1187  11.173   2.1759  20.491  6.1239 35.319  4.0004 -14.82827      7.314744 
1 1 1 33 1  14 o 15.743  5.0414 2.4288   1.4076  3.1785   1.9707  1.6479   2.0113  17.341  5.9775 14.120  5.7582 3.220732       8.299818 
1 1 1 33 1  15 o 43.100  2.4038 15.324   1.6177  12.506   2.2024  18.625   2.3839  37.569  3.7912 46.545  3.2882 -8.975918      5.018541 
1 1 1 33 1  16 o 11.637  4.7528 0.8866   1.3729  1.4651   1.9424  0.3092   1.9407  13.665  5.6255 11.813  5.2449 1.852433       7.691206 
1 1 1 33 1  17 o 10.831  4.6425 0.4580   1.4093  2.0555   2.0613  -0.9444  1.9313  14.834  5.9063 10.237  4.7953 4.597421       7.607846 
1 1 1 33 1  18 o 22.245  4.3290 4.6187   1.4553  3.5788   2.0191  5.7431   2.0995  18.113  6.0532 23.447  5.7545 -5.334864      8.351998 
1 1 1 33 1  19 o 15.468  5.2980 2.4051   1.5470  4.6038   2.3886  0.8163   2.0305  19.895  6.5813 12.634  5.4942 7.260980       8.573229 
1 1 1 33 1  20 o 16.540  5.3441 2.8158   1.5790  1.9402   2.1245  3.8965   2.3602  14.540  5.9226 18.322  6.5242 -3.781971      8.811471 
1 1 1 33 1  21 o 14.471  5.1539 2.0558   1.4730  3.2020   2.1265  0.9987   2.0423  16.974  6.1737 12.853  5.5496 4.121729       8.301384 
1 1 1 33 1  22 f 15.431  5.2333 2.4290   1.5093  2.0868   2.1450  2.7645   2.1242  14.702  5.9651 15.989  6.0992 -1.287262      8.531275 
1 1 1 33 1  23 o 16.098  5.3235 2.7045   1.5629  3.1341   2.2533  2.3062   2.1697  16.607  6.2944 15.041  6.0353 1.566607       8.720360 
1 1 1 33 1  24 o 19.224  5.4145 3.9214   1.7013  0.4217   2.4367  7.2501   2.3764  12.524  5.6909 25.731  6.0015 -13.20681      8.270676 
1 1 1 33 1  25 o 21.623  5.7171 5.1029   1.9675  5.7129   2.5901  4.2706   3.0253  21.281  6.8411 17.848  7.1391 3.433577       9.887739 
1 1 1 33 1  26 o 16.814  5.9079 3.2356   1.9295  1.2790   2.5130  6.0455   3.0115  13.481  5.9779 20.742  7.3713 -7.261152      9.490582 
1 1 1 33 1  27 o 8.8977  4.3505 -2.4246  2.0163  -2.5373  2.7974  -2.3026  2.9088  10.503  5.1330 10.844  5.2852 -0.3404732     7.367566 
1 1 1 33 1  28 o 33.637  4.2640 10.822   2.1980  10.174   3.0837  11.490   3.1338  28.474  6.9656 30.971  6.6528 -2.497303      9.632204 
1 1 1 33 2  0  o 37.044  3.9905 11.631   2.2493  11.631   2.2493  11.631   2.2493  37.044  3.9905 37.044  3.9905 0.000000       0.000000 
1 1 1 33 2  1  o 30.801  3.2699 8.2053   1.5548  7.8792   2.2084  8.5256   2.1893  28.351  5.1589 29.858  4.8432 -1.506903      7.076072 
1 1 1 33 2  2  o 30.350  3.4191 8.0365   1.5984  7.7650   2.1765  8.3544   2.3551  28.186  5.1140 28.948  5.3879 -0.7617626     7.428514 
1 1 1 33 2  3  o 19.532  4.7629 3.7042   1.4453  3.8547   2.0222  3.5470   2.0664  18.806  6.0448 18.003  6.1232 0.8037472      8.604233 
1 1 1 33 2  4  o 29.922  3.4782 7.8437   1.6011  5.9701   2.1504  10.175   2.3984  23.884  5.8008 32.643  4.8329 -8.759016      7.550210 
1 1 1 33 2  5  o 38.535  2.6532 12.421   1.5930  11.152   2.2756  13.640   2.2308  34.866  4.2514 39.307  3.6625 -4.441387      5.611409 
1 1 1 33 2  6  o 28.534  3.3755 7.1015   1.4807  5.9088   2.0974  8.2865   2.0906  23.864  5.6871 29.589  4.6611 -5.725243      7.353199 
1 1 1 33 2  7  o 33.183  3.0016 9.3914   1.5445  6.6632   2.1211  12.471   2.2534  25.669  5.4400 37.259  3.9165 -11.59033      6.703217 
1 1 1 33 2  8  o 23.653  4.1414 5.1518   1.4797  3.9333   2.0614  6.4469   2.1253  18.868  6.1070 25.096  5.5494 -6.228111      8.251777 
1 1 1 33 2  9  o 29.807  3.3996 7.7687   1.5601  6.7176   2.1583  8.9188   2.2577  25.636  5.5328 30.390  4.9061 -4.754047      7.394694 
1 1 1 33 2  10 o 33.514  2.9085 9.5470   1.5129  10.051   2.1284  9.0323   2.1511  33.073  4.1998 30.936  4.5733 2.136822       6.209134 
1 1 1 33 2  11 o 13.650  5.0801 1.7327   1.4536  1.5740   2.0818  1.8836   2.0305  13.860  5.7749 14.361  5.8118 -0.5016642     8.193086 
1 1 1 33 2  12 o 7.2307  3.5507 -2.2778  1.3880  -4.1822  1.8746  0.0336   2.0652  7.5505  3.7775 11.573  5.2512 -4.022847      6.468751 
1 1 1 33 2  13 o 25.183  3.6941 5.6897   1.4150  7.3411   2.1027  4.3229   1.9130  27.195  5.1200 20.011  5.7765 7.183897       7.718976 
1 1 1 33 2  14 o 7.4766  3.6314 -1.7877  1.3408  -2.4849  1.9279  -1.1345  1.8660  8.7616  4.2775 9.7628  4.6165 -1.001180      6.293571 
1 1 1 33 2  15 o 12.954  4.9356 1.5077   1.3901  -0.0299  2.0585  2.7965   1.8847  11.417  5.2043 16.109  5.8192 -4.692215      7.806899 
1 1 1 33 2  16 o 20.505  4.5470 4.0754   1.4233  3.6207   2.0242  4.5201   2.0017  17.869  6.0604 20.168  5.9341 -2.298306      8.481887 
1 1 1 33 2  17 o 35.853  2.7084 10.879   1.5111  12.397   2.1935  9.5080   2.0845  36.965  3.8415 31.838  4.2853 5.126484       5.755025 
1 1 1 33 2  18 o 29.102  3.3457 7.4743   1.4986  7.4586   2.1500  7.4891   2.0901  27.017  5.2656 27.310  5.0684 -0.2932339     7.308612 
1 1 1 33 2  19 o 15.939  5.3932 2.7156   1.6029  2.0161   2.3224  3.3520   2.2152  14.430  6.0622 16.857  6.2718 -2.426507      8.722743 
1 1 1 33 2  20 f 15.986  5.3564 2.7452   1.5810  4.5631   2.2641  1.0151   2.2087  19.343  6.4079 12.806  5.6449 6.537553       8.539706 
1 1 1 33 2  21 o 16.375  5.5995 2.9857   1.7281  4.1266   2.4896  1.9248   2.4007  17.908  6.6516 14.189  6.0700 3.718754       9.004930 
1 1 1 33 2  22 o 46.655  2.8363 18.693   2.0646  20.535   2.9821  16.997   2.8612  46.750  4.1109 42.009  4.4104 4.740704       6.029181 
1 1 1 33 2  23 o 9.7989  4.5456 -0.4274  1.6688  -0.2049  2.4204  -0.6291  2.3040  11.531  5.3908 10.934  5.1579 0.5963764      7.460866 
1 1 1 33 2  24 o 43.611  2.9444 16.545   2.0012  17.241   2.8731  15.888   2.7892  42.042  4.4257 40.225  4.5002 1.817562       6.311759 
1 1 1 33 3  0  o 47.024  3.0626 18.124   2.2357  18.124   2.2357  18.124   2.2357  47.024  3.0626 47.024  3.0626 0.000000       0.000000 
1 1 1 33 3  1  o 11.677  4.7638 0.9972   1.3773  0.5378   1.9201  1.4841   1.9766  11.830  5.2366 13.393  5.6078 -1.562817      7.672608 
1 1 1 33 3  2  o 54.772  2.0457 24.530   1.7565  20.994   2.4281  28.412   2.5442  49.203  3.1647 57.906  2.8027 -8.702740      4.227297 
1 1 1 33 3  3  o 15.699  4.9495 2.5121   1.3608  0.4851   1.9134  4.5868   1.9358  11.735  5.2092 20.421  5.7841 -8.685908      7.784095 
1 1 1 33 3  4  o 56.030  2.0778 25.710   1.8250  24.967   2.4431  26.648   2.7451  54.081  2.8922 55.419  3.1729 -1.338467      4.293252 
1 1 1 33 3  5  o 16.501  5.0530 2.8136   1.4300  2.9923   2.1102  2.6618   1.9445  16.261  6.1072 15.635  5.8645 0.6259136      8.466978 
1 1 1 33 3  6  o 34.766  2.7677 10.283   1.4959  8.6590   2.1038  11.945   2.1276  29.907  4.6373 36.279  3.7972 -6.371038      5.993577 
1 1 1 33 3  7  o 14.090  4.9357 1.9791   1.3462  2.4025   1.8879  1.5412   1.9201  15.052  5.7480 13.381  5.5584 1.671022       7.995960 
1 1 1 33 3  8  o 22.687  4.1349 4.8436   1.4164  4.5456   1.9778  5.1573   2.0295  20.094  5.8947 21.545  5.8556 -1.451069      8.308731 
1 1 1 33 3  9  o 14.213  4.9367 2.0330   1.3454  2.9818   1.8640  1.0012   1.9438  16.328  5.7996 12.474  5.4002 3.853341       7.924494 
1 1 1 33 3  10 o 22.296  4.0852 4.6767   1.3753  5.7703   1.9906  3.6781   1.9022  23.213  5.5461 17.957  5.8699 5.256298       8.075620 
1 1 1 33 3  11 o 13.245  4.9121 1.6975   1.3566  1.0019   1.9797  2.3135   1.8628  12.474  5.4250 14.756  5.6910 -2.281519      7.862418 
1 1 1 33 3  12 o 24.980  4.2624 5.9522   1.6093  7.0750   2.2441  4.7636   2.3090  25.448  5.7595 19.608  6.4699 5.840149       8.662107 
1 1 1 33 3  13 o 13.254  5.1596 1.6915   1.5423  1.4620   2.1211  1.9489   2.2465  13.265  5.6910 14.109  5.9467 -0.8437433     8.231071 
1 1 1 33 3  14 o 21.279  4.6494 4.5256   1.5076  3.8203   2.0433  5.3683   2.2336  17.842  6.0888 21.108  6.2831 -3.265560      8.749344 
1 1 1 33 3  15 o 12.278  5.2465 1.1150   1.7900  2.5560   2.3087  -1.0566  2.8343  14.999  6.1490 11.484  5.5023 3.515090       8.251369 
1 1 1 33 3  16 o 20.961  5.1851 4.6804   1.6944  2.0977   2.2418  8.1221   2.5879  14.177  5.9560 26.109  6.3774 -11.93225      8.726098 
1 1 1 33 3  17 o 27.880  4.3650 7.5729   1.8452  5.2555   2.2834  11.934   3.1324  20.393  6.4088 31.546  6.5484 -11.15336      9.162611 
1 1 1 33 3  18 o 10.646  4.8292 0.1656   1.7451  -1.8355  2.2039  3.5294   2.8575  9.6386  4.6756 16.053  6.7331 -6.414076      8.197313 
1 1 1 33 4  0  o 12.332  7.3225 2.1117   2.4652  2.1117   2.4652  2.1117   2.4652  12.332  7.3225 12.332  7.3225 0.000000       0.000000 
1 1 1 33 4  1  o 17.806  5.5171 3.6108   1.6990  6.3814   2.4922  1.2053   2.3222  22.263  6.6392 12.862  5.7228 9.400591       8.765262 
1 1 1 33 4  2  f 14.729  5.6864 2.4549   1.8614  1.3697   2.6005  3.5950   2.6655  13.291  5.9743 16.331  6.6409 -3.039893      8.932707 
1 1 1 33 4  3  o 32.154  3.5937 9.4657   1.7805  10.924   2.3293  7.4163   2.7615  33.124  4.6107 23.512  6.9835 9.612482       8.368236 
1 1 1 33 4  4  o 17.237  5.6772 3.4792   1.7781  4.0264   2.2217  2.5042   2.9658  17.657  6.3253 14.737  6.5164 2.920689       9.081474 
1 1 1 33 4  5  f 16.809  5.8698 3.4125   1.9033  2.8220   2.3751  4.4720   3.1817  15.184  6.2322 17.101  7.1337 -1.916998      9.472584 
1 1 1 33 4  6  o 30.074  4.4693 8.9348   2.0430  9.2608   2.5133  8.2995   3.5078  28.729  5.7805 22.314  7.9528 6.415178       9.831658 
1 1 1 33 4  7  o 27.520  4.6897 7.6576   1.9507  7.9526   2.3873  7.0650   3.3839  26.267  5.9371 20.533  7.7295 5.733784       9.746542 
1 1 1 33 4  8  o 27.518  5.0452 7.9373   2.0963  6.8004   2.7456  9.5264   3.2460  21.985  7.0410 25.541  7.5680 -3.555157      10.33685 
1 1 1 33 4  9  o 14.645  5.9567 2.5458   2.1452  3.8706   2.6474  0.0123   3.6609  16.551  6.6578 12.844  6.1796 3.707498       9.083694 
1 1 1 33 4  10 o 13.914  5.7760 2.1464   2.0713  -0.0100  2.5131  6.7142   3.6577  11.598  5.4448 19.108  7.7757 -7.509203      9.492479 
1 1 1 34 0  0  o 18.877  8.7121 4.4698   2.8378  4.4698   2.8378  4.4698   2.8378  18.877  8.7121 18.877  8.7121 0.000000       0.000000 
1 1 1 34 0  1  o 12.736  6.9573 2.1620   1.9785  2.1620   1.9785  2.1620   1.9785  12.736  6.9573 12.736  6.9573 0.000000       0.000000 
1 1 1 34 0  2  o 19.397  7.3877 4.4425   2.1145  4.4425   2.1145  4.4425   2.1145  19.397  7.3877 19.397  7.3877 0.000000       0.000000 
1 1 1 34 0  3  o 13.421  7.1155 2.4325   2.0131  2.4325   2.0131  2.4325   2.0131  13.421  7.1155 13.421  7.1155 0.000000       0.000000 
1 1 1 34 0  4  f 9.7739  6.2593 0.5480   2.1606  0.5480   2.1606  0.5480   2.1606  9.7739  6.2593 9.7739  6.2593 0.000000       0.000000 
1 1 1 34 0  5  o 27.916  5.3234 7.1690   2.0837  7.1690   2.0837  7.1690   2.0837  27.916  5.3234 27.916  5.3234 0.000000       0.000000 
1 1 1 34 0  6  f 26.126  6.0450 6.6022   2.1542  6.6022   2.1542  6.6022   2.1542  26.126  6.0450 26.126  6.0450 0.000000       0.000000 
1 1 1 34 0  7  o 12.451  6.9432 2.0531   2.0172  2.0531   2.0172  2.0531   2.0172  12.451  6.9432 12.451  6.9432 0.000000       0.000000 
1 1 1 34 0  8  o 11.141  6.6067 1.4659   2.0025  1.4659   2.0025  1.4659   2.0025  11.141  6.6067 11.141  6.6067 0.000000       0.000000 
1 1 1 34 0  9  o 14.801  7.3477 2.9627   2.0603  2.9627   2.0603  2.9627   2.0603  14.801  7.3477 14.801  7.3477 0.000000       0.000000 
1 1 1 34 0  10 o 8.4302  5.6022 -0.1797  1.9768  -0.1797  1.9768  -0.1797  1.9768  8.4302  5.6022 8.4302  5.6022 0.000000       0.000000 
1 1 1 34 0  11 o 11.231  6.6881 1.4968   2.0673  1.4968   2.0673  1.4968   2.0673  11.231  6.6881 11.231  6.6881 0.000000       0.000000 
1 1 1 34 0  12 o 17.710  7.4497 3.9369   2.0824  3.9369   2.0824  3.9369   2.0824  17.710  7.4497 17.710  7.4497 0.000000       0.000000 
1 1 1 34 0  13 o 24.650  6.0610 5.9899   2.0281  5.9899   2.0281  5.9899   2.0281  24.650  6.0610 24.650  6.0610 0.000000       0.000000 
1 1 1 34 0  14 o 22.564  6.7228 5.3921   2.0700  5.3921   2.0700  5.3921   2.0700  22.564  6.7228 22.564  6.7228 0.000000       0.000000 
1 1 1 34 0  15 o 13.181  7.1134 2.3954   2.0449  2.3954   2.0449  2.3954   2.0449  13.181  7.1134 13.181  7.1134 0.000000       0.000000 
1 1 1 34 0  16 o 14.330  7.2817 2.8383   2.0479  2.8383   2.0479  2.8383   2.0479  14.330  7.2817 14.330  7.2817 0.000000       0.000000 
1 1 1 34 0  17 o 18.221  7.3391 4.1009   2.0433  4.1009   2.0433  4.1009   2.0433  18.221  7.3391 18.221  7.3391 0.000000       0.000000 
1 1 1 34 0  18 o 13.834  7.2416 2.6833   2.0655  2.6833   2.0655  2.6833   2.0655  13.834  7.2416 13.834  7.2416 0.000000       0.000000 
1 1 1 34 0  19 o 15.293  7.4408 3.2341   2.0954  3.2341   2.0954  3.2341   2.0954  15.293  7.4408 15.293  7.4408 0.000000       0.000000 
1 1 1 34 0  20 o 8.6340  5.8010 -0.3099  2.2248  -0.3099  2.2248  -0.3099  2.2248  8.6340  5.8010 8.6340  5.8010 0.000000       0.000000 
1 1 1 34 0  21 o 12.758  7.3197 2.3092   2.3277  2.3092   2.3277  2.3092   2.3277  12.758  7.3197 12.758  7.3197 0.000000       0.000000 
1 1 1 34 0  22 o 7.1755  5.0863 -2.3802  2.3898  -2.3802  2.3898  -2.3802  2.3898  7.1755  5.0863 7.1755  5.0863 0.000000       0.000000 
1 1 1 34 0  23 o 8.7562  5.9206 -0.3934  2.3879  -0.3934  2.3879  -0.3934  2.3879  8.7562  5.9206 8.7562  5.9206 0.000000       0.000000 
1 1 1 34 0  24 o 6.9897  4.9666 -2.4285  2.3279  -2.4285  2.3279  -2.4285  2.3279  6.9897  4.9666 6.9897  4.9666 0.000000       0.000000 
1 1 1 34 1  0  o 19.807  7.2983 4.6046   2.0978  4.6046   2.0978  4.6046   2.0978  19.807  7.2983 19.807  7.2983 0.000000       0.000000 
1 1 1 34 1  1  o 12.432  4.9127 1.2904   1.4162  2.8523   1.9933  -0.3019  2.0125  16.135  5.9600 10.975  5.0558 5.160239       7.815550 
1 1 1 34 1  2  o 23.635  4.2583 5.2545   1.5198  5.9038   2.2245  4.6861   2.0812  23.055  6.0709 20.393  6.0639 2.662630       8.580632 
1 1 1 34 1  3  o 37.989  2.6697 12.171   1.5798  12.796   2.2441  11.556   2.2245  37.562  3.8662 35.421  4.0806 2.140541       5.621242 
1 1 1 34 1  4  o 9.8406  4.4029 -0.0091  1.3951  -0.6840  1.9945  0.6375   1.9521  10.501  4.9040 12.059  5.3118 -1.557990      7.229445 
1 1 1 34 1  5  o 20.907  4.8842 4.3659   1.5719  1.6529   2.3330  6.6214   2.1272  14.019  5.9900 25.151  5.5443 -11.13221      8.162077 
1 1 1 34 1  6  o 40.205  2.5856 13.580   1.6210  12.242   2.2471  15.031   2.3406  36.548  3.9866 40.939  3.6865 -4.391174      5.429893 
1 1 1 34 1  7  o 10.890  4.6794 0.5489   1.4381  0.5273   2.0096  0.5715   2.0588  11.969  5.3247 12.112  5.3888 -0.1429911     7.575752 
1 1 1 34 1  8  o 9.2514  4.2526 -0.4225  1.4134  -1.7977  2.0120  0.9171   1.9858  9.4637  4.5604 12.476  5.4296 -3.012705      7.090697 
1 1 1 34 1  9  o 24.062  3.9961 5.3677   1.4545  5.2938   2.0806  5.4383   2.0341  21.801  5.9304 22.326  5.7700 -0.5255070     8.274203 
1 1 1 34 1  10 o 9.2798  4.2525 -0.3563  1.3983  0.0760   1.9816  -0.7852  1.9735  11.279  5.1278 10.283  4.8266 0.9960184      7.042049 
1 1 1 34 1  11 o 24.711  4.0780 5.7085   1.5246  3.7395   2.1426  7.7282   2.1700  17.758  6.2265 27.481  5.2280 -9.722429      8.130259 
1 1 1 34 1  12 o 10.345  4.5190 0.3488   1.3871  0.4464   1.9222  0.2429   2.0036  11.610  5.1832 11.488  5.1962 0.1224289      7.339331 
1 1 1 34 1  13 o 11.377  4.8159 0.8089   1.4835  -0.9658  2.1556  2.4058   2.0449  10.454  4.9487 14.935  5.9028 -4.481777      7.702789 
1 1 1 34 1  14 o 12.103  5.0759 1.0898   1.6236  1.8887   2.1776  0.0896   2.4364  14.009  5.8770 11.974  5.5325 2.035913       8.071435 
1 1 1 34 1  15 o 17.233  5.4611 3.2813   1.6550  2.0919   2.2991  4.5603   2.3842  14.338  6.0280 18.894  6.5713 -4.556307      8.917396 
1 1 1 34 1  16 o 31.104  3.8640 8.9635   1.8436  10.083   2.6465  7.9086   2.5695  30.388  5.7664 25.870  6.3767 4.518583       8.597304 
1 1 1 34 1  17 o 9.4978  4.4667 -0.7636  1.7040  -1.4925  2.4640  -0.0953  2.3592  10.507  5.0591 11.538  5.3701 -1.031255      7.377836 
1 1 1 34 1  18 o 12.240  5.1835 1.1839   1.7201  -0.6171  2.4354  2.9767   2.4298  11.125  5.2646 15.544  6.3329 -4.419868      8.235375 
1 1 1 34 1  19 o 19.733  5.5527 4.4109   1.7901  5.0227   2.5380  3.8052   2.5252  19.090  6.7689 16.786  6.5833 2.304836       9.442323 
1 1 1 34 2  0  o 7.3973  5.1231 -1.1799  2.0436  -1.1799  2.0436  -1.1799  2.0436  7.3973  5.1231 7.3973  5.1231 0.000000       0.000000 
1 1 1 34 2  1  o 33.802  3.0805 10.016   1.6144  10.311   2.2417  9.6990   2.3269  32.440  4.5317 30.850  4.9812 1.590334       6.734144 
1 1 1 34 2  2  o 19.766  5.0313 4.1068   1.5630  3.2335   2.3205  4.8320   2.1147  16.152  6.3173 20.022  6.1472 -3.870783      8.814564 
1 1 1 34 2  3  o 14.330  5.3567 2.1920   1.6197  3.6502   2.3216  0.8093   2.2607  16.934  6.3961 12.399  5.5719 4.535511       8.482686 
1 1 1 34 2  4  o 50.806  2.4961 21.742   1.9880  19.372   2.7661  24.274   2.8591  45.643  3.9034 51.826  3.5403 -6.182755      5.269714 
1 1 1 34 2  5  o 13.220  5.3192 1.6978   1.6903  0.3850   2.2109  3.5445   2.6222  11.801  5.3849 16.420  6.6187 -4.619200      8.532547 
1 1 1 34 2  6  o 33.961  3.2975 10.288   1.7334  9.4780   2.4224  11.139   2.4815  29.868  5.3710 33.059  4.9398 -3.190449      7.297224 
1 1 1 34 2  7  o 12.301  5.3060 1.1264   1.8630  4.2043   2.6248  -1.9982  2.6446  17.473  6.7507 10.433  5.0747 7.040227       8.445386 
1 1 1 34 2  8  o 11.305  5.0353 0.5416   1.8026  -0.7252  2.4913  1.9337   2.6116  11.098  5.2728 13.996  6.1551 -2.898306      8.104795 
1 1 1 34 2  9  o 22.665  5.3038 5.5557   1.8511  4.5789   2.5414  6.6597   2.7017  18.199  6.7283 22.067  6.9758 -3.868153      9.691826 
1 1 1 34 2  10 o 30.426  4.6668 9.3001   2.1549  13.387   3.1754  5.8115   2.9339  33.943  6.1957 19.593  7.2321 14.34993       9.523180 
1 1 1 34 2  11 o 13.404  5.6351 1.7987   2.0090  1.4609   2.8599  2.1277   2.8227  13.464  6.1363 14.171  6.3070 -0.7061338     8.799557 
1 1 1 34 2  12 o 22.453  6.2825 6.2595   2.2984  5.0674   3.5867  7.0901   2.9938  17.245  7.3994 21.627  7.3702 -4.381643      10.44370 
1 1 1 35 0  0  o 31.212  7.2747 9.3874   3.0949  9.3874   3.0949  9.3874   3.0949  31.212  7.2747 31.212  7.2747 0.000000       0.000000 
1 1 1 35 0  1  o 15.036  7.3727 3.1550   2.0638  3.1550   2.0638  3.1550   2.0638  15.036  7.3727 15.036  7.3727 0.000000       0.000000 
1 1 1 35 0  2  o 10.902  6.5751 1.4355   2.0490  1.4355   2.0490  1.4355   2.0490  10.902  6.5751 10.902  6.5751 0.000000       0.000000 
1 1 1 35 0  3  o 11.218  6.6903 1.5919   2.0742  1.5919   2.0742  1.5919   2.0742  11.218  6.6903 11.218  6.6903 0.000000       0.000000 
1 1 1 35 0  4  o 10.558  6.4641 1.2568   2.0455  1.2568   2.0455  1.2568   2.0455  10.558  6.4641 10.558  6.4641 0.000000       0.000000 
1 1 1 35 0  5  o 10.064  6.4207 0.8141   2.2475  0.8141   2.2475  0.8141   2.2475  10.064  6.4207 10.064  6.4207 0.000000       0.000000 
1 1 1 35 0  6  o 14.947  7.6026 3.2249   2.2337  3.2249   2.2337  3.2249   2.2337  14.947  7.6026 14.947  7.6026 0.000000       0.000000 
1 1 1 35 0  7  o 7.8208  5.4630 -1.6438  2.4595  -1.6438  2.4595  -1.6438  2.4595  7.8208  5.4630 7.8208  5.4630 0.000000       0.000000 
1 1 1 35 0  8  o 13.593  7.7809 2.7641   2.6209  2.7641   2.6209  2.7641   2.6209  13.593  7.7809 13.593  7.7809 0.000000       0.000000 
1 1 1 35 0  9  o 8.4099  5.8155 -1.2034  2.6076  -1.2034  2.6076  -1.2034  2.6076  8.4099  5.8155 8.4099  5.8155 0.000000       0.000000 
1 1 1 35 0  10 o 25.614  8.5446 7.9040   3.0577  7.9040   3.0577  7.9040   3.0577  25.614  8.5446 25.614  8.5446 0.000000       0.000000 
1 1 1 35 0  11 o 16.058  8.4710 4.0542   2.8427  4.0542   2.8427  4.0542   2.8427  16.058  8.4710 16.058  8.4710 0.000000       0.000000 
1 1 1 35 0  12 o 12.597  7.6459 2.2556   2.8061  2.2556   2.8061  2.2556   2.8061  12.597  7.6459 12.597  7.6459 0.000000       0.000000 
1 1 1 35 0  13 o 16.766  9.4573 5.0140   3.7977  5.0140   3.7977  5.0140   3.7977  16.766  9.4573 16.766  9.4573 0.000000       0.000000 
# 
#END OF REFLECTIONS
