data_r7zfssf
# 
_audit.revision_id     1_0 
_audit.creation_date   2022-11-23 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7zfs 
_cell.length_a      37.8420 
_cell.length_b      43.1420 
_cell.length_c      78.9900 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.911635 
# 
_entry.id   7zfs 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7zfs 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_FWT 
_refln.pdbx_PHWT 
_refln.pdbx_DELFWT 
_refln.pdbx_DELPHWT 
1 1 1 0  0  1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  2  o 96.3794 3.6706  17.1753      1.82157   17.1753      1.82157   65.0246     180         282.5       180         
1 1 1 0  0  3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  4  o 163.663 3.83046 49.2629      3.24155   49.2629      3.24155   126.737     360         29.7883     360         
1 1 1 0  0  5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  6  o 148.995 2.6991  40.7697      2.08151   40.7697      2.08151   11.9736     180         256.487     7.0868e-06  
1 1 1 0  0  7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  8  o 103.684 2.67097 19.7826      1.43119   19.7826      1.43119   16.6065     180         183.916     180         
1 1 1 0  0  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  10 o 311.465 3.1664  177.941      5.1098    177.941      5.1098    207.238     360         182.195     180         
1 1 1 0  0  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  12 o 207.023 2.89897 78.6604      3.10821   78.6604      3.10821   151.061     360         105.753     360         
1 1 1 0  0  13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  14 o 206.13  2.91542 77.9835      3.1123    77.9835      3.1123    199.384     360         15.5109     360         
1 1 1 0  0  15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  16 f 357.795 3.38253 234.791      6.27092   234.791      6.27092   260.355     0           0           0           
1 1 1 0  0  17 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  18 o 311.842 3.25277 178.364      5.2554    178.364      5.2554    288.703     360         11.2333     180         
1 1 1 0  0  19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  20 o 653.523 6.58711 783.762      22.3043   783.762      22.3043   520.486     180         186.515     1.03193e-05 
1 1 1 0  0  21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  22 o 435.511 3.72651 347.851      8.40985   347.851      8.40985   598.439     180         383.404     180         
1 1 1 0  0  23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  24 o 126.428 2.99051 29.3987      1.95485   29.3987      1.95485   36.8309     360         130.944     180         
1 1 1 0  0  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  26 o 91.7382 3.08098 15.5336      1.45755   15.5336      1.45755   5.60034     180         98.4068     180         
1 1 1 0  0  27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  28 o 153.956 4.3439  43.6943      3.45406   43.6943      3.45406   135.233     180         3.05051     8.60916e-06 
1 1 1 0  0  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  30 o 47.5311 3.65446 4.28928      0.873417  4.28928      0.873417  1.13874     180         11.9946     180         
1 1 1 0  0  31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  32 o 173.918 3.10691 55.5918      2.79691   55.5918      2.79691   207.728     180         102.076     180         
1 1 1 0  0  33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  34 o 171.628 3.13532 54.1499      2.78513   54.1499      2.78513   117.237     180         72.2491     8.65146e-06 
1 1 1 0  0  35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  36 o 267.085 3.33778 131.039      4.61776   131.039      4.61776   274.042     180         75.1417     180         
1 1 1 0  0  37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  38 o 212.943 3.23915 83.3622      3.57168   83.3622      3.57168   224.465     360         75.5129     360         
1 1 1 0  0  39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  40 f 114.927 3.25742 24.3863      1.93347   24.3863      1.93347   118.701     180         0           0           
1 1 1 0  0  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  42 o 57.6811 5.57837 6.49525      1.57955   6.49525      1.57955   47.2522     0           32.3394     0           
1 1 1 0  0  43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  44 o 22.0701 6.22178 1.25186      0.688622  1.25186      0.688622  0.522363    8.65283e-06 3.54914     8.65282e-06 
1 1 1 0  0  45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  46 o 78.0451 3.49729 11.404       1.40165   11.404       1.40165   88.4814     0           46.0262     0           
1 1 1 0  0  47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  48 o 18.3134 7.13356 0.912806     0.981413  0.912806     0.981413  0.51614     0           21.164      180         
1 1 1 0  0  49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  50 o 59.8942 3.94609 6.87216      1.1993    6.87216      1.1993    51.4594     0           4.93661     0           
1 1 1 0  0  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  52 o 20.3065 6.75434 1.17685      0.799613  1.17685      0.799613  2.48474     180         0.995588    8.65141e-06 
1 1 1 0  0  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  54 o 10.1908 4.79557 -0.145071    0.681365  -0.145071    0.681365  3.72729     180         12.0106     180         
1 1 1 0  0  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  56 o 16.8463 6.55752 0.85068      0.828672  0.85068      0.828672  2.05538     360         1.61467     180         
1 1 1 0  0  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  58 o 21.4962 7.49746 1.49043      0.999714  1.49043      0.999714  8.76966     180         0.67993     8.71032e-06 
1 1 1 0  0  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  60 o 40.0054 5.97114 3.63966      1.08963   3.63966      1.08963   39.6658     180         19.497      180         
1 1 1 0  0  61 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  0  62 o 13.8274 6.01127 0.499213     0.834554  0.499213     0.834554  2.02155     180         12.9872     180         
1 1 1 0  0  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  1  0  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  1  1  o 170.893 2.17396 53.5827      1.92437   53.5827      1.92437   20.3284     270         288.77      90          
1 1 1 0  1  2  o 252.692 2.04673 117.085      2.68012   117.085      2.68012   379.301     89.9999     274.265     89.9999     
1 1 1 0  1  3  o 270.739 2.42068 134.425      3.39595   134.425      3.39595   391.314     90          261.408     90          
1 1 1 0  1  4  o 65.7275 3.00704 8.01873      1.01455   8.01873      1.01455   3.19711     270         38.8424     270         
1 1 1 0  1  5  o 163.88  2.71976 49.3133      2.30753   49.3133      2.30753   99.0591     90          117.079     270         
1 1 1 0  1  6  o 125.918 2.01419 29.1063      1.31316   29.1063      1.31316   105.338     90          17.1083     270         
1 1 1 0  1  7  o 15.1722 2.72382 0.49527      0.185205  0.49527      0.185205  95.6529     90          196.312     90          
1 1 1 0  1  8  o 367.456 2.72311 247.604      5.18555   247.604      5.18555   459.894     90          214.367     90          
1 1 1 0  1  9  o 127.514 2.20663 29.8585      1.45657   29.8585      1.45657   110.998     90          7.82956     270         
1 1 1 0  1  10 o 347.234 2.48091 221.102      4.46442   221.102      4.46442   307.524     90          49.9751     270         
1 1 1 0  1  11 o 3.99239 1.95153 -0.111169    0.137015  -0.111169    0.137015  25.5549     270         51.2003     270         
1 1 1 0  1  12 o 97.4728 1.93385 17.4576      0.975358  17.4576      0.975358  29.3154     270         113.39      90          
1 1 1 0  1  13 o 6.9416  2.95739 0.0858252    0.193325  0.0858252    0.193325  9.37145     270         18.8444     270         
1 1 1 0  1  14 o 192.089 2.03978 67.6848      2.03      67.6848      2.03      62.7013     90          240.169     270         
1 1 1 0  1  15 o 207.992 2.07434 79.3461      2.23543   79.3461      2.23543   132.379     270         130.324     90          
1 1 1 0  1  16 o 289.158 2.23063 153.318      3.34256   153.318      3.34256   239.222     90          69.6983     270         
1 1 1 0  1  17 o 57.0117 2.09877 6.00594      0.61638   6.00594      0.61638   68.455      270         220.231     270         
1 1 1 0  1  18 o 484.994 2.74844 431.262      6.90862   431.262      6.90862   477.946     270         40.6175     270         
1 1 1 0  1  19 o 439.264 2.62329 353.772      5.97218   353.772      5.97218   363.599     270         99.7596     90          
1 1 1 0  1  20 o 655.364 3.8061  787.678      12.9279   787.678      12.9279   609.954     90          10.7189     270         
1 1 1 0  1  21 o 319.416 3.30587 187.176      5.47096   187.176      5.47096   255.835     270         86.5071     90          
1 1 1 0  1  22 o 339.161 2.56343 210.941      4.50554   210.941      4.50554   177.802     90          277.755     270         
1 1 1 0  1  23 o 56.7466 2.32993 5.96248      0.680018  5.96248      0.680018  14.9788     89.9999     66.2875     89.9999     
1 1 1 0  1  24 o 38.1481 2.75762 2.75074      0.531151  2.75074      0.531151  12.0932     270         30.4419     270         
1 1 1 0  1  25 o 93.16   2.16391 15.9619      1.04241   15.9619      1.04241   20.5133     90.0001     1.04206     90.0001     
1 1 1 0  1  26 o 176.041 2.14612 56.8673      1.95707   56.8673      1.95707   228.995     270         145.998     270         
1 1 1 0  1  27 o 146.239 2.46915 39.2842      1.86932   39.2842      1.86932   168.218     90          75.4451     90          
1 1 1 0  1  28 o 79.5122 3.18337 11.7114      1.30236   11.7114      1.30236   36.2457     270         4.29403     270         
1 1 1 0  1  29 o 90.3689 2.54915 15.0514      1.18979   15.0514      1.18979   86.0446     270         16.8004     270         
1 1 1 0  1  30 o 69.3153 2.28869 8.86991      0.818231  8.86991      0.818231  18.9699     270         87.6217     90          
1 1 1 0  1  31 o 81.3212 2.25539 12.1864      0.947399  12.1864      0.947399  61.1664     270         24.2453     90          
1 1 1 0  1  32 o 102.323 2.20323 19.2595      1.16614   19.2595      1.16614   3.99912     270.001     3.47226     270.001     
1 1 1 0  1  33 o 17.1662 4.92569 0.754709     0.429199  0.754709     0.429199  5.87996     270         13.6497     270         
1 1 1 0  1  34 o 33.4867 3.23413 2.17139      0.531747  2.17139      0.531747  0.279147    270         10.1709     89.9998     
1 1 1 0  1  35 o 184.699 2.23423 62.6464      2.13765   62.6464      2.13765   148.504     270         31.4943     90          
1 1 1 0  1  36 o 208.714 2.26876 79.996       2.45325   79.996       2.45325   220.773     270         72.0593     270         
1 1 1 0  1  37 o 137.733 2.24932 34.8729      1.60396   34.8729      1.60396   110.799     270         21.0626     90          
1 1 1 0  1  38 o 16.016  5.18542 0.688994     0.4694    0.688994     0.4694    17.0285     270         40.9495     270         
1 1 1 0  1  39 o 29.1243 4.10001 1.73532      0.549645  1.73532      0.549645  9.03197     90          56.2556     90          
1 1 1 0  1  40 o 10.2471 4.42516 0.169231     0.445449  0.169231     0.445449  16.2601     270         35.9259     270         
1 1 1 0  1  41 o 153.526 2.30873 43.3995      1.83545   43.3995      1.83545   144.384     270         23.7775     270         
1 1 1 0  1  42 o 45.4242 4.2192  4.01923      0.94592   4.01923      0.94592   26.4081     90          25.1089     270         
1 1 1 0  1  43 o 162.373 2.6713  48.7141      2.24562   48.7141      2.24562   111.087     270         55.0062     90          
1 1 1 0  1  44 o 13.1464 4.89253 0.472495     0.442353  0.472495     0.442353  9.81555     270         30.8735     270         
1 1 1 0  1  45 o 60.4153 2.6112  6.82466      0.810673  6.82466      0.810673  47.9657     270         6.01398     90          
1 1 1 0  1  46 o 138.781 2.33656 35.6676      1.67874   35.6676      1.67874   133.683     270         34.5822     270         
1 1 1 0  1  47 o 9.57354 4.32199 0.0591963    0.476925  0.0591963    0.476925  0.665306    270         2.29114     270         
1 1 1 0  1  48 o 40.6493 4.66969 3.36915      0.906052  3.36915      0.906052  46.841      90          26.3862     90          
1 1 1 0  1  49 o 9.36318 4.27815 0.0203819    0.485491  0.0203819    0.485491  1.14677     270         5.04277     270         
1 1 1 0  1  50 o 38.8149 3.2865  2.95024      0.636198  2.95024      0.636198  19.3742     90          24.7335     270         
1 1 1 0  1  51 o 24.2736 5.12721 1.39465      0.561653  1.39465      0.561653  23.3441     270         11.0948     270         
1 1 1 0  1  52 o 22.5768 5.31058 1.26621      0.553213  1.26621      0.553213  19.9636     270         9.57104     270         
1 1 1 0  1  53 o 7.49692 3.64377 -0.27925     0.461616  -0.27925     0.461616  8.84513     270         25.3152     270         
1 1 1 0  1  54 o 42.5212 3.36506 3.58659      0.717893  3.58659      0.717893  45.1263     90          22.5867     90          
1 1 1 0  1  55 o 29.983  4.64648 2.0015       0.63223   2.0015       0.63223   23.605      90          0.158707    270         
1 1 1 0  1  56 o 35.2459 3.87299 2.60206      0.656717  2.60206      0.656717  45.2068     270         36.1069     270         
1 1 1 0  1  57 o 34.4997 4.07177 2.55031      0.667246  2.55031      0.667246  41.1741     90          29.1391     90          
1 1 1 0  1  58 f 12.4881 5.3704  0.460899     0.650093  0.460899     0.650093  12.3883     270         0           0           
1 1 1 0  1  59 o 28.9974 6.12527 2.24719      0.801566  2.24719      0.801566  24.2783     90          4.1633      90          
1 1 1 0  1  60 o 12.9486 5.33545 0.568678     0.59223   0.568678     0.59223   0.492105    270         0.666974    89.9999     
1 1 1 0  1  61 o 8.77334 4.20304 -0.100721    0.568254  -0.100721    0.568254  1.26762     270         4.64522     270         
1 1 1 0  1  62 o 33.481  4.79645 2.64782      0.737111  2.64782      0.737111  36.3513     270         23.0638     270         
1 1 1 0  1  63 o 6.53436 3.35985 -1.12598     0.644947  -1.12598     0.644947  6.64114     90          18.1301     90          
1 1 1 0  2  0  o 695.951 4.73549 888.238      17.0798   888.238      17.0798   687.139     360         33.6334     360         
1 1 1 0  2  1  o 146.06  2.00137 39.1467      1.51399   39.1467      1.51399   127.128     6.18135e-06 22.8911     180         
1 1 1 0  2  2  o 7.6044  2.48384 0.15457      0.107809  0.15457      0.107809  44.0061     360         88.5668     360         
1 1 1 0  2  3  o 91.5919 2.114   15.4259      1.00125   15.4259      1.00125   8.75344     180         2.13723     360         
1 1 1 0  2  4  o 286.1   2.47502 150.109      3.66927   150.109      3.66927   372.17      180         193.803     180         
1 1 1 0  2  5  o 554.347 3.33797 563.518      9.59013   563.518      9.59013   693.2       180         320.288     180         
1 1 1 0  2  6  o 471.489 2.64168 407.581      6.45537   407.581      6.45537   556.883     180         207.662     180         
1 1 1 0  2  7  o 63.6015 1.8768  7.45302      0.616296  7.45302      0.616296  104.608     3.40334e-05 321.203     3.40334e-05 
1 1 1 0  2  8  o 659.321 3.24948 797.113      11.1044   797.113      11.1044   648.973     360         33.201      360         
1 1 1 0  2  9  o 156.869 1.94809 45.1473      1.58297   45.1473      1.58297   187.116     360         93.5956     360         
1 1 1 0  2  10 o 66.9235 1.91492 8.24994      0.661816  8.24994      0.661816  11.3531     7.87639e-06 96.766      7.87639e-06 
1 1 1 0  2  11 o 36.8851 2.42135 2.55813      0.453274  2.55813      0.453274  61.4425     180         147.784     180         
1 1 1 0  2  12 o 314.348 2.60436 181.255      4.24236   181.255      4.24236   257.609     180         84.6176     1.36984e-05 
1 1 1 0  2  13 o 247.771 2.27054 112.604      2.91506   112.604      2.91506   221.051     180         29.9147     6.8741e-06  
1 1 1 0  2  14 f 148.832 2.12566 40.6557      1.63841   40.6557      1.63841   80.7876     180         0           0           
1 1 1 0  2  15 o 576.244 3.47257 609.011      10.3709   609.011      10.3709   650.332     3.31413e-06 206.925     3.31413e-06 
1 1 1 0  2  16 o 378.72  2.81419 263.02       5.52325   263.02       5.52325   392.236     180         67.1068     180         
1 1 1 0  2  17 o 193.472 2.2063  68.6638      2.21136   68.6638      2.21136   75.6867     180         214.302     360         
1 1 1 0  2  18 o 356.954 2.39886 233.616      4.43773   233.616      4.43773   355.647     9.70641e-07 38.177      9.70642e-07 
1 1 1 0  2  19 o 173.513 2.07524 55.231       1.86532   55.231       1.86532   68.7834     180         188.821     1.07259e-05 
1 1 1 0  2  20 o 987.706 5.16221 1789.8       26.4266   1789.8       26.4266   848.714     180         155.828     8.48721e-06 
1 1 1 0  2  21 o 177.516 2.43187 57.8286      2.23584   57.8286      2.23584   89.8607     8.14004e-06 152.437     180         
1 1 1 0  2  22 o 262.294 2.58302 126.192      3.5104    126.192      3.5104    284.303     180         79.1737     180         
1 1 1 0  2  23 o 174.737 2.11962 56.0182      1.9186    56.0182      1.9186    174.67      180         25.2561     180         
1 1 1 0  2  24 o 70.9497 2.22911 9.28261      0.816117  9.28261      0.816117  3.21607     180         69.0026     1.31625e-05 
1 1 1 0  2  25 o 198.295 2.15939 72.1373      2.21841   72.1373      2.21841   262.674     180         162.821     180         
1 1 1 0  2  26 o 221.549 2.19675 90.0451      2.52168   90.0451      2.52168   223.197     2.33203e-06 38.1888     2.33203e-06 
1 1 1 0  2  27 o 242.566 2.5797  107.978      3.24196   107.978      3.24196   190.176     360         65.0354     180         
1 1 1 0  2  28 f 211.107 2.54182 81.8114      2.77968   81.8114      2.77968   242.817     4.23596e-08 0           0           
1 1 1 0  2  29 o 206.774 2.54625 78.5007      2.72729   78.5007      2.72729   200.035     360         23.1868     360         
1 1 1 0  2  30 o 193.688 2.19552 68.8586      2.20302   68.8586      2.20302   233.888     180         116.114     180         
1 1 1 0  2  31 o 13.977  4.72273 0.527509     0.392387  0.527509     0.392387  68.1191     180         147.834     180         
1 1 1 0  2  32 o 208.92  2.22492 80.1243      2.40826   80.1243      2.40826   223.727     180         71.218      180         
1 1 1 0  2  33 o 76.9608 2.29242 10.9245      0.910824  10.9245      0.910824  44.7359     2.55769e-06 48.1981     180         
1 1 1 0  2  34 o 94.6258 2.25676 16.4842      1.10409   16.4842      1.10409   93.7836     180         18.8177     180         
1 1 1 0  2  35 o 26.4271 4.18626 1.46058      0.500704  1.46058      0.500704  0.00769144  179.995     0.0382731   179.995     
1 1 1 0  2  36 o 297.84  2.40515 162.882      3.71218   162.882      3.71218   239.849     1.02805e-10 47.1613     180         
1 1 1 0  2  37 o 123.792 2.23875 28.1813      1.43446   28.1813      1.43446   174.561     180         131.521     180         
1 1 1 0  2  38 o 142.795 2.25567 37.4903      1.66774   37.4903      1.66774   138.169     180         26.1922     180         
1 1 1 0  2  39 o 54.2243 2.68212 5.48303      0.745257  5.48303      0.745257  48.8048     2.7014e-06  19.2719     2.7014e-06  
1 1 1 0  2  40 o 157.247 2.27488 45.4932      1.85251   45.4932      1.85251   152.605     8.01407e-11 32.559      8.01407e-11 
1 1 1 0  2  41 o 168.528 2.63943 52.3613      2.3032    52.3613      2.3032    174.075     360         57.49       360         
1 1 1 0  2  42 o 66.3395 2.70523 8.19107      0.923129  8.19107      0.923129  69.8697     180         25.9558     180         
1 1 1 0  2  43 o 21.4055 5.64218 1.15025      0.582539  1.15025      0.582539  2.90245     180         5.64229     360         
1 1 1 0  2  44 o 60.9736 2.56805 6.93573      0.805008  6.93573      0.805008  53.0259     360         2.64094     360         
1 1 1 0  2  45 o 56.0066 2.66803 5.88189      0.766376  5.88189      0.766376  45.6334     180         3.1659      360         
1 1 1 0  2  46 o 19.6518 5.12268 0.97285      0.482933  0.97285      0.482933  4.7278      360         20.8772     180         
1 1 1 0  2  47 o 15.2908 5.54111 0.666273     0.556957  0.666273     0.556957  3.04801     180         11.4278     360         
1 1 1 0  2  48 o 8.30043 3.86094 -0.0574078   0.421474  -0.0574078   0.421474  5.10541     8.65184e-06 15.8863     8.65184e-06 
1 1 1 0  2  49 o 11.32   4.894   0.242342     0.546212  0.242342     0.546212  0.00413513  180         4.44062     8.65182e-06 
1 1 1 0  2  50 o 90.0582 2.49409 15.1758      1.16024   15.1758      1.16024   78.7453     360         10.3144     360         
1 1 1 0  2  51 o 13.0251 5.08497 0.477444     0.499912  0.477444     0.499912  0.853078    360         1.44598     180         
1 1 1 0  2  52 o 71.4386 2.65558 9.64295      0.977139  9.64295      0.977139  73.9766     360         32.7621     360         
1 1 1 0  2  53 o 24.5861 5.2475  1.45911      0.58307   1.45911      0.58307   20.9824     180         3.10004     180         
1 1 1 0  2  54 o 24.9783 5.07587 1.48871      0.569774  1.48871      0.569774  26.5593     180         17.3048     180         
1 1 1 0  2  55 o 41.2138 3.44861 3.41502      0.709644  3.41502      0.709644  22.8676     180         19.3315     8.657e-06   
1 1 1 0  2  56 o 10.2877 4.60007 0.178754     0.525297  0.178754     0.525297  0.486171    180         2.92413     8.65792e-06 
1 1 1 0  2  57 o 16.7734 5.6923  0.902023     0.570733  0.902023     0.570733  5.71944     180         1.83041     180         
1 1 1 0  2  58 f 48.7616 3.84472 4.95745      0.940875  4.95745      0.940875  22.1728     360         0           0           
1 1 1 0  2  59 o 11.6721 5.19354 0.349075     0.660503  0.349075     0.660503  0.720309    5.83421e-06 1.37518     180         
1 1 1 0  2  60 o 7.60466 3.75231 -0.357281    0.538659  -0.357281    0.538659  1.62874     9.20102e-06 4.97764     9.20102e-06 
1 1 1 0  2  61 o 27.6887 5.61992 2.00613      0.699225  2.00613      0.699225  27.3218     180         16.1281     180         
1 1 1 0  2  62 o 13.5575 5.5221  0.676597     0.623046  0.676597     0.623046  0.60837     180         0.397775    8.64616e-06 
1 1 1 0  2  63 o 8.28318 4.0451  -0.22961     0.585259  -0.22961     0.585259  3.72229     180         14.3248     180         
1 1 1 0  3  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  3  1  o 113.352 2.1244  23.6007      1.24626   23.6007      1.24626   58.7843     270         91.2217     90          
1 1 1 0  3  2  o 173.212 2.20716 55.0474      1.98027   55.0474      1.98027   175.777     90          19.9143     90          
1 1 1 0  3  3  o 264.421 2.22745 128.214      3.05208   128.214      3.05208   423.057     90          357.251     90          
1 1 1 0  3  4  o 130.199 2.17392 31.1241      1.46533   31.1241      1.46533   125.545     90.0001     51.5372     90.0001     
1 1 1 0  3  5  o 131.834 2.17112 31.9094      1.48187   31.9094      1.48187   131.069     90          39.6773     90          
1 1 1 0  3  6  o 545.864 2.87218 546.33       8.12593   546.33       8.12593   620.298     270         192.913     270         
1 1 1 0  3  7  o 707.461 3.41249 917.802      12.5129   917.802      12.5129   672.309     270         12.0591     90          
1 1 1 0  3  8  o 446.555 2.57964 365.637      5.97035   365.637      5.97035   436.503     270         17.5046     270         
1 1 1 0  3  9  o 633.714 3.17133 736.481      10.4164   736.481      10.4164   613.514     270         14.3284     270         
1 1 1 0  3  10 o 401.145 2.46279 295.086      5.12018   295.086      5.12018   347.17      270         72.3477     90          
1 1 1 0  3  11 o 54.864  1.97391 5.56065      0.558033  5.56065      0.558033  8.15775     90.0001     32.3453     90.0001     
1 1 1 0  3  12 o 136.684 1.95856 34.29        1.38638   34.29        1.38638   96.6378     90          61.8193     90          
1 1 1 0  3  13 o 348.935 2.34882 223.273      4.24753   223.273      4.24753   291.058     90          81.7652     270         
1 1 1 0  3  14 o 361.414 2.38527 239.513      4.46774   239.513      4.46774   396.238     270         106.072     270         
1 1 1 0  3  15 f 377.054 2.43061 260.676      4.74973   260.676      4.74973   337.376     270         0           0           
1 1 1 0  3  16 o 277.665 2.21005 141.371      3.18002   141.371      3.18002   137.382     270         250.506     90          
1 1 1 0  3  17 o 248.392 2.30987 113.151      2.97294   113.151      2.97294   183.026     270         102.822     90          
1 1 1 0  3  18 o 472.443 3.12677 409.288      7.65579   409.288      7.65579   434.703     270         20.3433     90          
1 1 1 0  3  19 o 127.848 2.35805 30.0219      1.56031   30.0219      1.56031   119.113     270         20.5077     270         
1 1 1 0  3  20 o 75.2701 2.44578 10.451       0.949666  10.451       0.949666  49.9282     270         230.452     270         
1 1 1 0  3  21 o 169.682 2.24834 52.8319      1.97598   52.8319      1.97598   115.696     270         85.5453     90          
1 1 1 0  3  22 o 845.378 5.5903  1311.85      24.4924   1311.85      24.4924   800.022     90          24.6193     90          
1 1 1 0  3  23 o 126.061 2.2453  29.1867      1.46509   29.1867      1.46509   118.765     270         31.0084     270         
1 1 1 0  3  24 o 314.332 2.35455 181.201      3.83546   181.201      3.83546   287.316     90          7.61664     270         
1 1 1 0  3  25 o 210.444 2.17358 81.2435      2.36992   81.2435      2.36992   217.041     270         45.5805     270         
1 1 1 0  3  26 o 373.133 2.8803  255.443      5.5695    255.443      5.5695    370.191     270         53.7466     270         
1 1 1 0  3  27 o 73.3432 2.58137 9.93851      0.975815  9.93851      0.975815  26.8799     270         30.9657     90          
1 1 1 0  3  28 o 448.346 2.70368 368.823      6.28243   368.823      6.28243   422.841     270         26.4809     270         
1 1 1 0  3  29 o 32.0645 3.77343 2.03712      0.575011  2.03712      0.575011  12.7473     90          45.9325     90          
1 1 1 0  3  30 o 148.562 2.16126 40.5308      1.66276   40.5308      1.66276   34.9358     270         199.512     90          
1 1 1 0  3  31 o 12.4042 4.62655 0.408886     0.396254  0.408886     0.396254  2.63578     269.999     5.64562     269.999     
1 1 1 0  3  32 o 8.63379 3.85659 0.0545271    0.368151  0.0545271    0.368151  10.8572     270         22.4224     270         
1 1 1 0  3  33 o 12.8954 4.69247 0.447476     0.400467  0.447476     0.400467  4.07482     90.0003     8.82825     90.0003     
1 1 1 0  3  34 f 43.0813 2.77148 3.49077      0.606533  3.49077      0.606533  19.0713     270         0           0           
1 1 1 0  3  35 o 193.499 2.24873 68.7575      2.25414   68.7575      2.25414   204.685     90          65.9243     90          
1 1 1 0  3  36 o 13.3809 4.97152 0.478435     0.456164  0.478435     0.456164  9.44475     90.0002     21.4513     90.0002     
1 1 1 0  3  37 o 94.6366 2.32639 16.4997      1.1381    16.4997      1.1381    66.0614     90          34.2646     270         
1 1 1 0  3  38 o 231.253 2.31713 98.2563      2.77634   98.2563      2.77634   207.445     90          10.3054     90          
1 1 1 0  3  39 o 123.259 2.27847 27.9631      1.45352   27.9631      1.45352   126.926     270         39.2951     270         
1 1 1 0  3  40 o 59.234  2.57072 6.52505      0.782441  6.52505      0.782441  56.2046     90          10.3354     90          
1 1 1 0  3  41 o 39.8459 3.48541 3.06258      0.690303  3.06258      0.690303  35.5135     270         4.59547     270         
1 1 1 0  3  42 o 49.202  2.75367 4.54599      0.691889  4.54599      0.691889  40.7287     90          2.74172     270         
1 1 1 0  3  43 o 60.9391 3.00347 6.96291      0.937975  6.96291      0.937975  45.5733     270         12.6651     90          
1 1 1 0  3  44 o 31.9394 3.63256 2.0333       0.554793  2.0333       0.554793  25.6818     90          0.478294    90          
1 1 1 0  3  45 o 32.5999 3.63759 2.11893      0.568972  2.11893      0.568972  26.7096     270         0.618721    90          
1 1 1 0  3  46 o 69.4276 2.52521 8.99759      0.903266  8.99759      0.903266  63.5826     270         10.9519     270         
1 1 1 0  3  47 o 59.5285 3.05988 6.70853      0.932486  6.70853      0.932486  41.7703     270         15.495      90          
1 1 1 0  3  48 o 61.0864 2.62178 7.00839      0.8231    7.00839      0.8231    68.357      90          35.7195     90          
1 1 1 0  3  49 o 11.0237 4.80899 0.209581     0.538463  0.209581     0.538463  5.86122     270         26.1623     270         
1 1 1 0  3  50 o 32.754  3.76736 2.17935      0.588867  2.17935      0.588867  35.2264     270         17.234      270         
1 1 1 0  3  51 o 22.9167 5.11469 1.26904      0.533889  1.26904      0.533889  20.7234     90          8.39262     90          
1 1 1 0  3  52 o 25.7047 4.91952 1.51985      0.566466  1.51985      0.566466  26.0999     270         13.0862     270         
1 1 1 0  3  53 f 9.7498  4.36964 0.116579     0.47712   0.116579     0.47712   18.7443     270         0           0           
1 1 1 0  3  54 o 60.7053 2.80501 7.07103      0.87389   7.07103      0.87389   46.2558     270         3.89261     90          
1 1 1 0  3  55 o 5.74177 2.9328  -0.78482     0.450451  -0.78482     0.450451  5.80923     90.0001     15.227      90.0001     
1 1 1 0  3  56 f 12.1601 5.03223 0.42818      0.530582  0.42818      0.530582  7.48326     270         0           0           
1 1 1 0  3  57 o 11.7791 5.05197 0.37959      0.572003  0.37959      0.572003  1.28211     270         4.1089      90.0001     
1 1 1 0  3  58 f 25.6809 5.90604 1.77934      0.695603  1.77934      0.695603  19.3737     270         0           0           
1 1 1 0  3  59 o 32.6745 4.95539 2.5037       0.736906  2.5037       0.736906  33.6535     90          17.4213     90          
1 1 1 0  3  60 o 53.5038 3.50228 5.91079      0.951141  5.91079      0.951141  57.642      270         34.0548     270         
1 1 1 0  3  61 f 15.765  5.82236 0.897474     0.622858  0.897474     0.622858  2.12183     89.9997     0           0           
1 1 1 0  3  62 o 7.1991  3.62045 -0.5879      0.583138  -0.5879      0.583138  1.10256     270         3.29647     270         
1 1 1 0  3  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  4  0  f 267.504 4.19446 131.376      5.80971   131.376      5.80971   450.98      1.92949e-06 0           0           
1 1 1 0  4  1  o 185.915 2.24318 63.4112      2.16035   63.4112      2.16035   112.275     360         132.432     180         
1 1 1 0  4  2  o 7.09262 2.62571 0.133671     0.126896  0.133671     0.126896  79.5897     4.55214e-05 160.062     4.55214e-05 
1 1 1 0  4  3  o 411.322 3.11618 310.275      6.64235   310.275      6.64235   394.009     180         1.41248     1.59035e-05 
1 1 1 0  4  4  o 541.4   3.2895  537.515      9.23012   537.515      9.23012   502.765     180         33.0753     1.82544e-05 
1 1 1 0  4  5  o 110.045 2.16528 22.2492      1.23298   22.2492      1.23298   4.22014     3.39863e-06 200.097     180         
1 1 1 0  4  6  o 359.836 2.3342  237.414      4.35304   237.414      4.35304   401.995     2.0922e-06  114.598     2.0922e-06  
1 1 1 0  4  7  f 260.09  2.10407 124.05       2.83587   124.05       2.83587   266.268     2.08781e-06 0           0           
1 1 1 0  4  8  o 33.1624 2.04667 2.0616       0.345393  2.0616       0.345393  14.9048     180         34.5787     180         
1 1 1 0  4  9  o 310.46  2.22851 176.754      3.5855    176.754      3.5855    347.659     180         102.283     180         
1 1 1 0  4  10 o 183.148 1.99405 61.534       1.89206   61.534       1.89206   231.772     3.61909e-06 120.085     3.61909e-06 
1 1 1 0  4  11 o 115.49  1.93911 24.4918      1.15938   24.4918      1.15938   6.62679     360         205.327     180         
1 1 1 0  4  12 o 362.315 2.37465 240.724      4.45895   240.724      4.45895   377.721     360         66.2151     360         
1 1 1 0  4  13 o 346.18  2.50491 219.766      4.49388   219.766      4.49388   334.251     360         11.051      360         
1 1 1 0  4  14 o 140.029 1.98243 35.9844      1.43765   35.9844      1.43765   74.0534     180         116.379     9.60212e-06 
1 1 1 0  4  15 o 68.3074 2.01164 8.59667      0.70946   8.59667      0.70946   3.04506     9.26722e-06 69.8229     9.26721e-06 
1 1 1 0  4  16 o 538.153 2.89846 530.988      8.08438   530.988      8.08438   640.778     360         265.35      360         
1 1 1 0  4  17 o 610.176 3.12568 682.642      9.88506   682.642      9.88506   503.261     180         143.187     9.00671e-06 
1 1 1 0  4  18 o 298.922 2.27079 163.842      3.51765   163.842      3.51765   306.327     0           50.712      0           
1 1 1 0  4  19 o 280.751 2.58273 144.56       3.75721   144.56       3.75721   323.24      180         119.981     180         
1 1 1 0  4  20 o 37.5877 2.60067 2.66347      0.494804  2.66347      0.494804  52.4977     360         128.078     360         
1 1 1 0  4  21 o 198.452 2.12479 72.2396      2.18463   72.2396      2.18463   206.523     1.40513e-05 174.454     1.40513e-05 
1 1 1 0  4  22 o 86.209  2.48715 13.6923      1.10722   13.6923      1.10722   53.5163     8.45776e-06 263.785     8.45776e-06 
1 1 1 0  4  23 o 21.976  4.90442 1.11438      0.490921  1.11438      0.490921  9.11993     360         19.4046     360         
1 1 1 0  4  24 o 150.185 2.25902 41.4073      1.75684   41.4073      1.75684   55.3981     180         166.801     360         
1 1 1 0  4  25 o 75.3361 2.5339  10.4772      0.984394  10.4772      0.984394  5.70351     360         128.968     360         
1 1 1 0  4  26 o 54.7404 2.97915 5.59326      0.833522  5.59326      0.833522  28.0145     8.84897e-06 122.642     8.84897e-06 
1 1 1 0  4  27 o 108.058 2.46641 21.4813      1.37824   21.4813      1.37824   104.667     1.98738e-06 24.5273     1.98738e-06 
1 1 1 0  4  28 o 152.995 2.29443 42.9871      1.81779   42.9871      1.81779   150.064     180         21.0999     180         
1 1 1 0  4  29 o 128.258 3.06176 30.2939      2.0303    30.2939      2.0303    111.108     3.22371e-06 10.8321     180         
1 1 1 0  4  30 o 12.2897 4.95159 0.358621     0.493143  0.358621     0.493143  3.32797     8.34748e-06 7.1128      8.34748e-06 
1 1 1 0  4  31 o 47.9697 2.55554 4.29365      0.626956  4.29365      0.626956  19.9314     180         11.6714     8.72647e-06 
1 1 1 0  4  32 f 139.957 2.18756 35.9861      1.58528   35.9861      1.58528   134.15      180         0           0           
1 1 1 0  4  33 o 77.9027 2.28885 11.1922      0.920636  11.1922      0.920636  26.3336     180         86.5546     360         
1 1 1 0  4  34 o 294.918 2.3791  159.668      3.63595   159.668      3.63595   287.312     180         49.7362     180         
1 1 1 0  4  35 o 136.136 2.21857 34.0604      1.56371   34.0604      1.56371   117.678     3.20881e-06 5.83907     180         
1 1 1 0  4  36 o 57.7302 2.56698 6.19108      0.761122  6.19108      0.761122  53.9057     6.00947e-06 15.6043     6.00947e-06 
1 1 1 0  4  37 o 68.3433 2.45105 8.64197      0.863196  8.64197      0.863196  73.4797     180         47.3492     180         
1 1 1 0  4  38 o 77.2928 2.38275 11.0345      0.950522  11.0345      0.950522  65.7614     180         3.21048     360         
1 1 1 0  4  39 o 93.4184 2.34636 16.0945      1.13295   16.0945      1.13295   100.706     360         39.109      360         
1 1 1 0  4  40 o 76.0309 2.76974 10.7244      1.08494   10.7244      1.08494   61.9307     360         7.56071     180         
1 1 1 0  4  41 o 13.9054 5.10228 0.526877     0.476111  0.526877     0.476111  0.414449    0.000227127 1.33886     0.000227127 
1 1 1 0  4  42 o 103.182 2.33224 19.6617      1.24451   19.6617      1.24451   106.335     2.34135e-10 36.2296     2.34135e-10 
1 1 1 0  4  43 o 52.6025 3.09393 5.22367      0.829714  5.22367      0.829714  32.27       180         27.9158     180         
1 1 1 0  4  44 o 6.79883 3.3616  -0.429531    0.438627  -0.429531    0.438627  3.46539     8.65271e-06 7.68749     8.65271e-06 
1 1 1 0  4  45 o 87.6923 2.40598 14.2769      1.08992   14.2769      1.08992   75.2982     1.4491e-06  3.19563     1.4491e-06  
1 1 1 0  4  46 o 13.278  5.16495 0.478142     0.513699  0.478142     0.513699  0.433352    180         9.82711     180         
1 1 1 0  4  47 o 36.3835 3.79628 2.63772      0.670285  2.63772      0.670285  35.5162     180         10.6496     180         
1 1 1 0  4  48 o 9.46808 4.19736 0.109972     0.427152  0.109972     0.427152  7.87623     8.65148e-06 26.7585     8.65148e-06 
1 1 1 0  4  49 o 68.5117 3.0027  8.88607      1.05688   8.88607      1.05688   66.9452     180         21.5434     180         
1 1 1 0  4  50 o 29.7161 4.6205  1.90685      0.622833  1.90685      0.622833  33.2412     1.86252e-06 19.7231     1.86252e-06 
1 1 1 0  4  51 o 68.3511 2.65426 8.82221      0.933886  8.82221      0.933886  66.9503     180         23.2819     180         
1 1 1 0  4  52 o 44.7155 3.13676 3.88783      0.709434  3.88783      0.709434  47.1556     2.01742e-06 22.4332     2.01742e-06 
1 1 1 0  4  53 o 55.8816 2.85712 5.99241      0.81747   5.99241      0.81747   59.4401     2.58091e-06 29.6708     2.58091e-06 
1 1 1 0  4  54 o 40.0018 3.49675 3.21503      0.69531   3.21503      0.69531   34.8981     2.11189e-07 6.38536     2.11189e-07 
1 1 1 0  4  55 o 37.9957 3.63744 2.95633      0.679412  2.95633      0.679412  31.8547     180         3.90898     180         
1 1 1 0  4  56 o 12.6762 5.19294 0.484196     0.555854  0.484196     0.555854  3.50561     0           4.89361     180         
1 1 1 0  4  57 o 9.4146  4.42517 -0.0199769   0.577339  -0.0199769   0.577339  0.311834    360         2.24854     360         
1 1 1 0  4  58 o 13.7325 5.46648 0.635611     0.591396  0.635611     0.591396  2.35847     180         13.8861     8.07931e-06 
1 1 1 0  4  59 o 6.84943 3.43657 -0.54152     0.514569  -0.54152     0.514569  3.52449     180         10.0584     180         
1 1 1 0  4  60 o 15.2832 6.03997 0.880143     0.715487  0.880143     0.715487  4.03794     180         1.7755      8.6201e-06  
1 1 1 0  4  61 o 7.06439 3.53209 -0.489488    0.527623  -0.489488    0.527623  4.42292     180         12.084      180         
1 1 1 0  4  62 o 10.7919 4.94674 0.255372     0.656132  0.255372     0.656132  0.201455    180         5.69531     8.65143e-06 
1 1 1 0  4  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  5  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  5  1  o 181.485 2.74611 60.464       2.58072   60.464       2.58072   90.8503     90          165.974     270         
1 1 1 0  5  2  o 8.56334 3.01175 0.197714     0.16191   0.197714     0.16191   31.9763     89.9999     64.4756     89.9999     
1 1 1 0  5  3  o 97.9337 2.14959 17.6315      1.08885   17.6315      1.08885   54.0865     90          22.6627     270         
1 1 1 0  5  4  o 183.097 2.25819 61.5102      2.14178   61.5102      2.14178   247.037     270         166.181     270         
1 1 1 0  5  5  o 462.837 3.02221 392.873      7.24937   392.873      7.24937   369.765     90          145.778     270         
1 1 1 0  5  6  o 343.359 2.28978 216.185      4.07461   216.185      4.07461   339.408     270         22.5201     270         
1 1 1 0  5  7  o 113.777 1.8964  23.7694      1.11704   23.7694      1.11704   84.3026     270         26.3677     90          
1 1 1 0  5  8  o 342.674 2.30088 215.338      4.08619   215.338      4.08619   348.328     270         42.8739     270         
1 1 1 0  5  9  o 6.99633 2.86091 0.110072     0.168236  0.110072     0.168236  23.348      270         46.9523     270         
1 1 1 0  5  10 o 143.618 1.94059 37.8517      1.44349   37.8517      1.44349   154.165     90          52.3221     90          
1 1 1 0  5  11 o 355.19  2.34915 231.345      4.32432   231.345      4.32432   252.041     90          171.044     270         
1 1 1 0  5  12 o 128.683 1.94785 30.3952      1.29795   30.3952      1.29795   19.372      270         12.1476     270         
1 1 1 0  5  13 o 206.437 2.05404 78.1614      2.19702   78.1614      2.19702   230.414     270         69.9952     270         
1 1 1 0  5  14 o 20.2881 3.23397 0.859864     0.296735  0.859864     0.296735  36.867      270         77.4611     270         
1 1 1 0  5  15 o 180.27  2.03923 59.61        1.90445   59.61        1.90445   120.646     90          98.9611     270         
1 1 1 0  5  16 o 383.247 2.45437 269.296      4.87495   269.296      4.87495   285.299     270         151.417     90          
1 1 1 0  5  17 o 309.818 2.28313 175.999      3.66573   175.999      3.66573   254.001     90          74.4105     270         
1 1 1 0  5  18 o 129.038 2.32678 30.5805      1.55405   30.5805      1.55405   105.872     270         20.7544     90          
1 1 1 0  5  19 o 94.382  2.3786  16.3908      1.16034   16.3908      1.16034   42.8846     90          58.4559     270         
1 1 1 0  5  20 o 387.491 2.48838 275.31       4.99722   275.31       4.99722   412.557     270         101.988     270         
1 1 1 0  5  21 o 44.5606 2.49157 3.70784      0.566996  3.70784      0.566996  75.9841     270         201.194     270         
1 1 1 0  5  22 o 235.048 2.53758 101.356      3.09014   101.356      3.09014   287.766     90          139.445     90          
1 1 1 0  5  23 o 372.898 2.86879 255.063      5.54374   255.063      5.54374   430.003     90          169.993     90          
1 1 1 0  5  24 o 6.66095 3.18219 -0.155505    0.321297  -0.155505    0.321297  22.505      270         45.2566     270         
1 1 1 0  5  25 o 158.106 2.43649 45.9022      1.9947    45.9022      1.9947    159.019     270         29.0183     270         
1 1 1 0  5  26 o 33.893  3.35554 2.22793      0.556417  2.22793      0.556417  82.1011     270         202.232     270         
1 1 1 0  5  27 o 77.295  2.20855 11.0097      0.881602  11.0097      0.881602  4.39117     90          1.47053     90          
1 1 1 0  5  28 o 19.7786 4.45591 0.906666     0.402236  0.906666     0.402236  31.0932     270         71.5698     270         
1 1 1 0  5  29 o 130.143 2.31004 31.1258      1.55615   31.1258      1.55615   120.978     90          6.03232     90          
1 1 1 0  5  30 o 51.547  3.17802 4.98839      0.833675  4.98839      0.833675  19.9964     90          0.240719    90          
1 1 1 0  5  31 o 319.232 2.57619 187.085      4.26174   187.085      4.26174   350.468     270         126.778     270         
1 1 1 0  5  32 o 38.2715 3.26198 2.80478      0.622201  2.80478      0.622201  2.51407     270         8.81907     90          
1 1 1 0  5  33 o 221.168 2.40164 89.8233      2.75188   89.8233      2.75188   267.045     90          139.641     90          
1 1 1 0  5  34 o 9.39099 4.17993 0.0750554    0.428229  0.0750554    0.428229  27.5915     90          58.036      90          
1 1 1 0  5  35 o 21.5414 5.12884 1.10105      0.511619  1.10105      0.511619  11.8252     90          37.1562     90          
1 1 1 0  5  36 o 52.8146 2.79924 5.20906      0.756214  5.20906      0.756214  42.3105     90          14.9883     90          
1 1 1 0  5  37 o 136.374 2.39527 34.2134      1.69088   34.2134      1.69088   129.3       90          19.8164     90          
1 1 1 0  5  38 o 34.9258 3.35466 2.36534      0.575705  2.36534      0.575705  11.8646     90          80.9316     90          
1 1 1 0  5  39 o 73.0431 2.43335 9.8715       0.916653  9.8715       0.916653  56.6712     90          13.2674     270         
1 1 1 0  5  40 o 16.5765 5.47456 0.747982     0.524602  0.747982     0.524602  17.1612     270         55.2563     270         
1 1 1 0  5  41 o 13.6232 4.95384 0.507177     0.446121  0.507177     0.446121  6.50062     89.9999     20.0901     89.9999     
1 1 1 0  5  42 o 92.4862 2.33094 15.813       1.11425   15.813       1.11425   80.3591     270         2.93448     270         
1 1 1 0  5  43 o 9.25854 4.13109 0.0767577    0.421119  0.0767577    0.421119  2.93697     270         7.07226     270         
1 1 1 0  5  44 f 139.917 2.70046 36.3034      1.95526   36.3034      1.95526   121.761     270         0           0           
1 1 1 0  5  45 o 10.6112 4.42881 0.249265     0.417016  0.249265     0.417016  2.3482      90.0001     7.91898     90.0001     
1 1 1 0  5  46 o 85.2371 2.79251 13.5885      1.22777   13.5885      1.22777   78.1181     270         14.1478     270         
1 1 1 0  5  47 o 55.6161 2.67277 5.8241       0.762234  5.8241       0.762234  51.8064     270         11.4675     270         
1 1 1 0  5  48 o 14.5662 5.18074 0.606011     0.481722  0.606011     0.481722  0.593869    270.001     0.307358    90.0008     
1 1 1 0  5  49 o 22.7287 5.30539 1.26485      0.555193  1.26485      0.555193  6.11516     90          24.8727     270         
1 1 1 0  5  50 o 100.458 2.8527  19.0045      1.48004   19.0045      1.48004   111.51      270         59.7361     270         
1 1 1 0  5  51 o 50.5811 2.87495 4.89762      0.742235  4.89762      0.742235  58.5159     90          35.3624     90          
1 1 1 0  5  52 o 48.6939 3.00511 4.57839      0.744656  4.57839      0.744656  57.1981     89.9999     36.305      89.9999     
1 1 1 0  5  53 o 30.3338 4.20429 1.96529      0.588554  1.96529      0.588554  36.5795     89.9999     27.824      89.9999     
1 1 1 0  5  54 o 53.6478 2.9817  5.58789      0.817058  5.58789      0.817058  70.3301     270         55.8168     270         
1 1 1 0  5  55 o 8.64029 4.0607  -0.0559861   0.485888  -0.0559861   0.485888  0.266209    90.0002     2.48077     90.0002     
1 1 1 0  5  56 o 13.7581 5.34925 0.607517     0.550734  0.607517     0.550734  0.19751     89.9976     0.034296    269.998     
1 1 1 0  5  57 o 31.6921 5.40191 2.40991      0.769388  2.40991      0.769388  32.7732     270         16.7441     270         
1 1 1 0  5  58 o 6.30765 3.19678 -0.672479    0.490216  -0.672479    0.490216  1.33565     90          3.64237     90          
1 1 1 0  5  59 o 10.8982 4.82749 0.295847     0.563829  0.295847     0.563829  1.93605     90          15.8562     90          
1 1 1 0  5  60 o 30.1317 6.10269 2.43556      0.826136  2.43556      0.826136  29.9618     270         15.6377     270         
1 1 1 0  5  61 o 17.4754 6.21832 1.12799      0.694166  1.12799      0.694166  0.230217    270.003     0.0723061   270.003     
1 1 1 0  5  62 o 11.8663 5.17744 0.456269     0.62438   0.456269     0.62438   0.0249476   270.002     0.0480289   90.002      
1 1 1 0  5  63 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  6  0  o 268.042 2.9835  131.803      4.14303   131.803      4.14303   255.201     6.2131e-06  1.32846     180         
1 1 1 0  6  1  o 196.118 2.27401 70.566       2.31034   70.566       2.31034   167.09      180         40.416      1.3485e-05  
1 1 1 0  6  2  f 405.699 2.82753 301.872      5.94494   301.872      5.94494   356.632     0           0           0           
1 1 1 0  6  3  o 29.6344 2.387   1.67166      0.35439   1.67166      0.35439   51.9639     180         116.185     180         
1 1 1 0  6  4  o 132.815 2.19712 32.3909      1.51075   32.3909      1.51075   52.9401     360         146.501     180         
1 1 1 0  6  5  o 21.7827 2.54253 0.937871     0.263597  0.937871     0.263597  36.6589     180         77.6008     180         
1 1 1 0  6  6  o 240.559 2.06175 106.132      2.57006   106.132      2.57006   229.192     360         0.113251    180         
1 1 1 0  6  7  o 353.082 2.3233  228.616      4.25134   228.616      4.25134   425.874     180         179.357     180         
1 1 1 0  6  8  o 535.224 2.84642 525.363      7.89605   525.363      7.89605   529.208     360         40.1675     360         
1 1 1 0  6  9  o 276.858 2.15528 140.565      3.09223   140.565      3.09223   391.891     180         257.833     180         
1 1 1 0  6  10 o 23.9798 2.46961 1.11911      0.287991  1.11911      0.287991  112.978     180         241.773     180         
1 1 1 0  6  11 o 334.956 2.29664 205.722      3.98675   205.722      3.98675   414.901     2.67768e-06 194.942     2.67768e-06 
1 1 1 0  6  12 o 239.205 2.1067  104.93       2.61128   104.93       2.61128   247.106     180         41.5275     180         
1 1 1 0  6  13 o 369.042 2.39604 249.706      4.58268   249.706      4.58268   480.336     180         263.411     180         
1 1 1 0  6  14 o 55.6338 2.06645 5.71989      0.592152  5.71989      0.592152  82.0566     180         247.964     180         
1 1 1 0  6  15 o 313.453 2.43836 180.163      3.9608    180.163      3.9608    297.939     6.22144e-07 5.82471     6.22147e-07 
1 1 1 0  6  16 o 119.411 2.00632 26.1798      1.24029   26.1798      1.24029   102.807     360         19.1461     360         
1 1 1 0  6  17 o 412.608 2.93123 312.189      6.26786   312.189      6.26786   487.661     180         201.879     180         
1 1 1 0  6  18 o 137.215 2.34394 34.5728      1.66497   34.5728      1.66497   93.6585     0           66.6902     180         
1 1 1 0  6  19 o 796.295 3.77188 1162.88      15.5675   1162.88      15.5675   895.572     360         305.524     360         
1 1 1 0  6  20 o 702.995 3.45072 906.317      12.5732   906.317      12.5732   757.538     4.33161e-08 206.882     4.33161e-08 
1 1 1 0  6  21 o 95.8259 2.10832 16.8814      1.04495   16.8814      1.04495   47.3949     360         6.69163     180         
1 1 1 0  6  22 o 91.44   2.27466 15.3852      1.07513   15.3852      1.07513   8.88492     8.13756e-08 141.887     180         
1 1 1 0  6  23 o 276.953 2.62484 140.718      3.76672   140.718      3.76672   292.113     2.0471e-06  73.2049     2.04711e-06 
1 1 1 0  6  24 o 173.015 2.12154 54.9308      1.9014    54.9308      1.9014    208.494     180         103.265     180         
1 1 1 0  6  25 o 236.957 2.53693 103.041      3.11447   103.041      3.11447   168.837     180         96.7974     360         
1 1 1 0  6  26 o 66.8319 2.24594 8.246        0.77404   8.246        0.77404   20.487      180         14.2972     8.32541e-06 
1 1 1 0  6  27 o 100.235 2.15441 18.4758      1.11704   18.4758      1.11704   110.929     1.06259e-06 48.7725     1.06259e-06 
1 1 1 0  6  28 f 46.9586 2.51948 4.11453      0.604958  4.11453      0.604958  13.7874     180         0           0           
1 1 1 0  6  29 o 143.814 2.15745 37.9861      1.60669   37.9861      1.60669   119.058     180         21.8526     8.66475e-06 
1 1 1 0  6  30 o 91.2259 2.56599 15.3432      1.20903   15.3432      1.20903   65.7761     180         32.6203     8.64748e-06 
1 1 1 0  6  31 o 51.247  2.463   4.88532      0.647229  4.88532      0.647229  6.44468     180         75.2579     8.64968e-06 
1 1 1 0  6  32 o 102.453 2.22062 19.3116      1.17681   19.3116      1.17681   88.2858     180         6.39418     8.65145e-06 
1 1 1 0  6  33 o 149.01  2.19316 40.7898      1.69235   40.7898      1.69235   138.327     180         11.6508     180         
1 1 1 0  6  34 o 71.8094 2.35746 9.52408      0.873196  9.52408      0.873196  80.8709     180         39.6063     180         
1 1 1 0  6  35 o 48.0788 2.70187 4.32438      0.663289  4.32438      0.663289  33.1502     180         6.96617     8.65146e-06 
1 1 1 0  6  36 o 84.1357 2.32715 13.0543      1.01139   13.0543      1.01139   79.2628     180         11.0598     180         
1 1 1 0  6  37 o 46.4402 2.9717  4.06123      0.701222  4.06123      0.701222  19.1639     360         37.7666     180         
1 1 1 0  6  38 o 98.851  2.45039 18.0218      1.25208   18.0218      1.25208   89.5556     0           7.3701      0           
1 1 1 0  6  39 o 5.36241 2.73478 -0.702662    0.384465  -0.702662    0.384465  12.9563     360         26.7135     360         
1 1 1 0  6  40 o 104.982 2.63112 20.3699      1.42774   20.3699      1.42774   57.591      180         65.3501     8.65139e-06 
1 1 1 0  6  41 o 32.3723 4.12355 2.11938      0.625276  2.11938      0.625276  23.3069     1.75299e-05 3.86537     180         
1 1 1 0  6  42 o 70.0442 2.60403 9.12497      0.93947   9.12497      0.93947   36.2644     180         46.6295     8.6514e-06  
1 1 1 0  6  43 o 9.83541 4.30828 0.135862     0.436477  0.135862     0.436477  3.88236     180         9.86915     180         
1 1 1 0  6  44 f 22.4429 5.77662 1.26527      0.618274  1.26527      0.618274  14.0914     360         0           0           
1 1 1 0  6  45 o 108.919 2.72414 22.0921      1.53366   22.0921      1.53366   109.931     360         37.7253     360         
1 1 1 0  6  46 o 20.9749 5.49444 1.11997      0.554165  1.11997      0.554165  6.58397     360         20.9783     180         
1 1 1 0  6  47 o 31.8362 3.68032 2.04313      0.558633  2.04313      0.558633  28.6043     360         4.66771     360         
1 1 1 0  6  48 o 14.2252 5.11544 0.579003     0.472492  0.579003     0.472492  1.79855     0           1.34112     180         
1 1 1 0  6  49 o 8.99981 4.10121 0.0306192    0.442281  0.0306192    0.442281  5.13569     8.65078e-06 18.1164     8.65078e-06 
1 1 1 0  6  50 o 5.27063 2.71994 -1.02152     0.446192  -1.02152     0.446192  3.42746     8.65135e-06 7.95436     8.65135e-06 
1 1 1 0  6  51 o 6.27615 3.12177 -0.415431    0.395403  -0.415431    0.395403  4.77074     360         12.0842     360         
1 1 1 0  6  52 o 6.84129 3.36674 -0.348705    0.425903  -0.348705    0.425903  1.82329     180         5.20623     180         
1 1 1 0  6  53 o 9.33333 4.26533 0.0518834    0.482895  0.0518834    0.482895  0.0646105   8.56947e-06 0.877894    8.56948e-06 
1 1 1 0  6  54 o 48.4547 3.08986 4.60468      0.760846  4.60468      0.760846  46.4854     0           16.556      0           
1 1 1 0  6  55 o 36.1105 3.78061 2.71073      0.662145  2.71073      0.662145  35.1356     180         13.7319     180         
1 1 1 0  6  56 o 20.0138 6.19246 1.24884      0.669037  1.24884      0.669037  10.4934     3.40788e-06 9.52731     180         
1 1 1 0  6  57 o 32.5711 4.38951 2.35843      0.662985  2.35843      0.662985  35.9429     1.53879e-06 21.9419     1.53879e-06 
1 1 1 0  6  58 o 33.1537 4.48935 2.47685      0.689621  2.47685      0.689621  30.9898     180         11.2291     180         
1 1 1 0  6  59 o 15.394  5.74693 0.841906     0.611851  0.841906     0.611851  6.10115     180         4.86272     8.69594e-06 
1 1 1 0  6  60 o 27.4793 6.45415 2.17683      0.817991  2.17683      0.817991  26.0504     180         13.096      180         
1 1 1 0  6  61 o 11.0064 5.00635 0.282239     0.65512   0.282239     0.65512   0.279904    8.65388e-06 8.93092     8.65388e-06 
1 1 1 0  6  62 o 16.5278 5.86496 0.995542     0.616644  0.995542     0.616644  2.18666     180         0.81083     180         
1 1 1 0  7  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  7  1  o 20.7667 2.41775 0.8521       0.239079  0.8521       0.239079  6.65008     90.0003     14.0025     90.0003     
1 1 1 0  7  2  o 111.5   1.87686 22.8284      1.08338   22.8284      1.08338   49.0448     90          106.886     270         
1 1 1 0  7  3  o 609.742 3.29219 681.977      10.4041   681.977      10.4041   622.966     270         85.6111     270         
1 1 1 0  7  4  o 148.347 1.91394 40.3816      1.47066   40.3816      1.47066   113.143     270         54.1682     90          
1 1 1 0  7  5  o 334.343 2.27063 204.99       3.93442   204.99       3.93442   270.038     90          95.501      270         
1 1 1 0  7  6  o 252.827 2.09677 117.226      2.74708   117.226      2.74708   334.995     270         189.9       270         
1 1 1 0  7  7  o 75.7966 1.9068  10.5709      0.747025  10.5709      0.747025  8.80653     90          66.3664     270         
1 1 1 0  7  8  o 247.599 2.09491 112.425      2.68785   112.425      2.68785   202.822     270         63.8285     90          
1 1 1 0  7  9  o 53.5486 1.96362 5.29823      0.541685  5.29823      0.541685  12.4677     270         46.1793     270         
1 1 1 0  7  10 o 162.501 1.97574 48.4446      1.66314   48.4446      1.66314   200.035     270         117.961     270         
1 1 1 0  7  11 o 589.637 3.03274 637.463      9.26829   637.463      9.26829   531.385     270         51.057      90          
1 1 1 0  7  12 o 400.976 2.4736  294.784      5.14049   294.784      5.14049   279.29      90          197.721     270         
1 1 1 0  7  13 o 56.6622 2.04821 5.93074      0.59798   5.93074      0.59798   35.6147     90          132.326     90          
1 1 1 0  7  14 o 5.76772 2.73606 -0.0920283   0.229753  -0.0920283   0.229753  33.489      270         67.2291     270         
1 1 1 0  7  15 o 443.005 2.61415 359.823      6.00208   359.823      6.00208   385.054     90          61.0243     270         
1 1 1 0  7  16 o 76.1255 2.06082 10.6687      0.810495  10.6687      0.810495  117.912     270         375.777     270         
1 1 1 0  7  17 o 26.7311 3.69703 1.45062      0.456238  1.45062      0.456238  30.4074     90          66.5709     90          
1 1 1 0  7  18 o 15.5966 4.82812 0.639899     0.406693  0.639899     0.406693  66.0904     90          135.957     90          
1 1 1 0  7  19 o 488.217 2.95861 437.096      7.48616   437.096      7.48616   457.065     90          6.33313     90          
1 1 1 0  7  20 o 24.7787 3.69338 1.26461      0.417533  1.26461      0.417533  80.2586     270         173.434     270         
1 1 1 0  7  21 o 67.8334 2.19482 8.48815      0.768051  8.48815      0.768051  0.998604    90          67.2837     90          
1 1 1 0  7  22 o 21.8531 4.12114 1.04248      0.40334   1.04248      0.40334   29.1667     270         62.1361     270         
1 1 1 0  7  23 o 413.302 2.98392 313.391      6.39121   313.391      6.39121   391.765     90          23.4772     90          
1 1 1 0  7  24 o 254.236 2.81794 118.639      3.71159   118.639      3.71159   151.313     90          163.465     270         
1 1 1 0  7  25 o 125.291 2.42551 28.8536      1.57259   28.8536      1.57259   135.081     90          46.2947     90          
1 1 1 0  7  26 o 84.5881 2.16605 13.173       0.946919  13.173       0.946919  73.1614     90          5.05069     90          
1 1 1 0  7  27 o 174.675 2.14863 56.0076      1.94414   56.0076      1.94414   171.877     90          26.7284     90          
1 1 1 0  7  28 o 229.493 2.21876 96.6566      2.63832   96.6566      2.63832   216.146     90          17.2802     90          
1 1 1 0  7  29 o 41.2794 2.62408 3.20179      0.550548  3.20179      0.550548  5.6044      270         75.2315     270         
1 1 1 0  7  30 o 281.421 2.69894 145.437      3.9355    145.437      3.9355    271.159     90          37.2681     90          
1 1 1 0  7  31 o 9.31541 4.1749  0.0544958    0.435522  0.0544958    0.435522  14.319      270         29.8004     270         
1 1 1 0  7  32 o 169.566 2.19626 52.8039      1.92896   52.8039      1.92896   77.8362     90          146.166     270         
1 1 1 0  7  33 o 11.8608 4.61814 0.358603     0.411121  0.358603     0.411121  25.822      270         56.2756     270         
1 1 1 0  7  34 o 86.6723 2.27845 13.8428      1.02043   13.8428      1.02043   33.1979     90          86.5522     270         
1 1 1 0  7  35 o 125.437 2.22679 28.9326      1.44583   28.9326      1.44583   90.0224     90          40.3074     270         
1 1 1 0  7  36 o 62.471  2.47088 7.23402      0.794363  7.23402      0.794363  37.3162     90          33.98       270         
1 1 1 0  7  37 o 66.3445 2.4589  8.15279      0.840286  8.15279      0.840286  56.4337     270         1.80019     90          
1 1 1 0  7  38 o 129.997 2.26387 31.1066      1.52342   31.1066      1.52342   151.822     270         78.5484     270         
1 1 1 0  7  39 o 48.7108 3.05547 4.47464      0.756889  4.47464      0.756889  40.568      90.0001     31.4482     90.0001     
1 1 1 0  7  40 o 9.96685 4.27081 0.175937     0.408001  0.175937     0.408001  18.541      270         44.059      270         
1 1 1 0  7  41 o 96.0523 2.34174 17.0519      1.1628    17.0519      1.1628    78.1402     270         7.46664     90          
1 1 1 0  7  42 o 68.6928 2.45583 8.76941      0.869334  8.76941      0.869334  45.3152     270         25.8374     90          
1 1 1 0  7  43 o 77.852  2.46663 11.2615      0.990852  11.2615      0.990852  80.2075     90          29.1539     90          
1 1 1 0  7  44 o 8.98971 4.20359 -0.0980779   0.510006  -0.0980779   0.510006  3.82024     89.9999     10.2987     89.9999     
1 1 1 0  7  45 o 53.2346 3.48381 5.4342       0.941376  5.4342       0.941376  49.7375     90          10.7527     90          
1 1 1 0  7  46 o 47.8834 2.96756 4.3663       0.722987  4.3663       0.722987  43.5082     270         7.68904     270         
1 1 1 0  7  47 o 59.049  3.01647 6.61126      0.912001  6.61126      0.912001  56.7415     90          16.2544     90          
1 1 1 0  7  48 o 12.7328 5.03905 0.440493     0.498854  0.440493     0.498854  1.25382     270         3.71751     90          
1 1 1 0  7  49 o 8.7821  4.03547 0.00051739   0.440385  0.00051739   0.440385  2.46282     89.9999     9.08574     89.9999     
1 1 1 0  7  50 o 8.12221 3.93766 -0.303914    0.531291  -0.303914    0.531291  2.32742     89.9999     7.54332     89.9999     
1 1 1 0  7  51 o 14.0936 5.32994 0.585617     0.532046  0.585617     0.532046  0.666149    270         22.3179     270         
1 1 1 0  7  52 o 14.3027 5.25784 0.614572     0.506241  0.614572     0.506241  5.45012     270         2.06874     90          
1 1 1 0  7  53 o 9.39302 4.26673 0.0769665    0.473799  0.0769665    0.473799  0.0372074   270         0.976281    270         
1 1 1 0  7  54 o 15.8876 5.52052 0.787157     0.541179  0.787157     0.541179  10.0751     90.0001     0.449791    270         
1 1 1 0  7  55 o 26.3272 5.06902 1.6658       0.597908  1.6658       0.597908  11.9496     270         17.1815     90          
1 1 1 0  7  56 o 9.75842 4.52284 0.0569653    0.570572  0.0569653    0.570572  4.67636     90          20.4499     90          
1 1 1 0  7  57 o 28.6108 5.13662 1.97915      0.658617  1.97915      0.658617  20.8026     270         2.36742     90          
1 1 1 0  7  58 o 8.73822 4.15258 -0.0673995   0.533584  -0.0673995   0.533584  0.0842012   270.001     0.429292    270.001     
1 1 1 0  7  59 o 11.0903 4.99281 0.287888     0.631162  0.287888     0.631162  0.115068    89.9999     5.08594     89.9999     
1 1 1 0  7  60 o 20.8774 6.23074 1.41309      0.680381  1.41309      0.680381  14.5347     270         0.761       270         
1 1 1 0  7  61 o 7.56807 3.77808 -0.486377    0.596058  -0.486377    0.596058  1.12598     89.9999     3.63177     89.9999     
1 1 1 0  7  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  8  0  o 209.425 2.84435 80.4855      3.08519   80.4855      3.08519   226.505     180         74.2759     180         
1 1 1 0  8  1  o 168.988 1.94664 52.3878      1.70417   52.3878      1.70417   208.832     4.92071e-06 145.672     4.9207e-06  
1 1 1 0  8  2  o 492.553 2.70925 444.872      6.91631   444.872      6.91631   438.971     360         56.0576     180         
1 1 1 0  8  3  o 16.1273 3.0286  0.566789     0.218742  0.566789     0.218742  21.1596     180         43.6172     180         
1 1 1 0  8  4  o 213.336 2.01865 83.4698      2.23142   83.4698      2.23142   210.761     180         17.3542     180         
1 1 1 0  8  5  o 327.745 2.25936 196.96       3.8376    196.96       3.8376    254.056     3.80062e-06 112.513     180         
1 1 1 0  8  6  o 74.5943 1.89417 10.2384      0.730266  10.2384      0.730266  6.68863     180         25.4049     4.67065e-05 
1 1 1 0  8  7  f 166.267 1.96074 50.7129      1.68882   50.7129      1.68882   240.737     180         0           0           
1 1 1 0  8  8  o 151.017 1.95478 41.8436      1.52907   41.8436      1.52907   121.428     180         40.6339     1.30587e-05 
1 1 1 0  8  9  o 302.975 2.22031 168.309      3.48615   168.309      3.48615   323.412     2.27934e-07 75.2149     2.27933e-07 
1 1 1 0  8  10 f 160.985 2.12142 47.5521      1.7689    47.5521      1.7689    204.384     360         0           0           
1 1 1 0  8  11 o 351.866 2.3408  227.001      4.26861   227.001      4.26861   315.078     360         31.9521     180         
1 1 1 0  8  12 o 60.2806 2.04293 6.70611      0.634997  6.70611      0.634997  58.122      180         204.95      180         
1 1 1 0  8  13 o 404.826 2.49481 300.475      5.23436   300.475      5.23436   396.16      6.68902e-07 32.9597     6.68901e-07 
1 1 1 0  8  14 o 362.897 2.39199 241.462      4.49872   241.462      4.49872   292.003     360         95.4971     180         
1 1 1 0  8  15 o 22.7168 3.51026 1.07075      0.362013  1.07075      0.362013  4.82963     0.00012234  10.289      0.00012234  
1 1 1 0  8  16 o 117.493 2.3319  25.3642      1.41768   25.3642      1.41768   97.5171     180         12.3039     180         
1 1 1 0  8  17 o 154.283 2.35502 43.6946      1.88142   43.6946      1.88142   18.7004     180         249.697     5.56729e-06 
1 1 1 0  8  18 o 239.578 2.1595  105.266      2.68085   105.266      2.68085   206.307     180         32.2195     8.27726e-06 
1 1 1 0  8  19 o 40.8081 2.50269 3.12126      0.519855  3.12126      0.519855  50.9129     180         131.447     180         
1 1 1 0  8  20 o 118.758 2.075   25.9015      1.27559   25.9015      1.27559   101.937     0           7.61888     0           
1 1 1 0  8  21 o 230.294 2.1666  97.2824      2.58535   97.2824      2.58535   189.46      180         45.3988     360         
1 1 1 0  8  22 o 61.6927 2.24196 7.03327      0.71261   7.03327      0.71261   2.60777     180         38.0216     180         
1 1 1 0  8  23 o 68.1029 2.59652 8.57965      0.910488  8.57965      0.910488  60.7996     180         241.942     180         
1 1 1 0  8  24 o 173.768 3.00308 55.4968      2.70135   55.4968      2.70135   188.873     360         60.4823     360         
1 1 1 0  8  25 o 433.373 2.83141 344.662      6.35933   344.662      6.35933   425.625     180         62.3661     180         
1 1 1 0  8  26 o 40.1943 2.55416 3.03476      0.521799  3.03476      0.521799  0.670345    8.60915e-06 50.9691     8.60914e-06 
1 1 1 0  8  27 o 132.426 2.13084 32.2135      1.46099   32.2135      1.46099   98.7658     6.44845e-07 41.8855     180         
1 1 1 0  8  28 o 75.3652 2.21717 10.4728      0.862746  10.4728      0.862746  63.8903     360         5.57123     180         
1 1 1 0  8  29 o 99.5861 2.16885 18.2441      1.11719   18.2441      1.11719   77.847      360         22.9929     180         
1 1 1 0  8  30 o 77.5225 2.62246 11.1051      1.0483    11.1051      1.0483    39.8176     0           58.7657     180         
1 1 1 0  8  31 o 9.30532 4.16892 0.0554886    0.43384   0.0554886    0.43384   51.2529     8.6522e-06  106.954     8.65221e-06 
1 1 1 0  8  32 o 50.7785 2.50664 4.80095      0.652268  4.80095      0.652268  33.4352     360         13.8425     180         
1 1 1 0  8  33 o 43.9748 2.71489 3.63079      0.607532  3.63079      0.607532  26.0006     2.13686e-06 8.31066     180         
1 1 1 0  8  34 o 38.4773 2.98385 2.81631      0.576934  2.81631      0.576934  1.03419     180         60.1162     8.65124e-06 
1 1 1 0  8  35 o 352.242 2.51741 227.926      4.59542   227.926      4.59542   331.866     180         47.3458     180         
1 1 1 0  8  36 o 10.176  4.32392 0.192643     0.411075  0.192643     0.411075  14.9104     8.65083e-06 31.8824     8.65083e-06 
1 1 1 0  8  37 o 10.4064 4.37338 0.218384     0.411738  0.218384     0.411738  17.0213     180         37.3735     180         
1 1 1 0  8  38 o 139.067 2.56643 35.6503      1.84721   35.6503      1.84721   123.711     180         7.55052     180         
1 1 1 0  8  39 o 8.5866  3.94245 -0.0228669   0.419144  -0.0228669   0.419144  16.3665     180         37.0009     180         
1 1 1 0  8  40 o 72.2375 2.4194  9.67431      0.901293  9.67431      0.901293  44.3071     180         34.7135     8.65151e-06 
1 1 1 0  8  41 o 149.736 2.27608 41.3605      1.76479   41.3605      1.76479   151.861     2.26716e-06 49.4425     2.26716e-06 
1 1 1 0  8  42 o 7.6991  3.62216 -0.107809    0.388318  -0.107809    0.388318  0.342559    180         0.783275    180         
1 1 1 0  8  43 o 14.2858 4.97309 0.569112     0.439499  0.569112     0.439499  0.736474    180         8.28302     180         
1 1 1 0  8  44 o 25.9062 5.19342 1.53339      0.603983  1.53339      0.603983  20.0953     360         9.95372     360         
1 1 1 0  8  45 o 36.6493 5.06732 2.81931      0.857408  2.81931      0.857408  34.623      180         8.45474     180         
1 1 1 0  8  46 o 65.2774 2.57191 7.98437      0.864036  7.98437      0.864036  66.1724     180         24.6192     180         
1 1 1 0  8  47 o 32.0427 3.68985 2.07523      0.564107  2.07523      0.564107  34.4507     6.54038e-06 28.028      6.54038e-06 
1 1 1 0  8  48 o 66.9366 2.60378 8.43047      0.897147  8.43047      0.897147  57.8607     180         6.61519     180         
1 1 1 0  8  49 o 75.1005 2.55216 10.6017      0.988277  10.6017      0.988277  68.9303     180         16.226      180         
1 1 1 0  8  50 o 8.55611 4.09867 -0.216653    0.540186  -0.216653    0.540186  4.22095     8.65141e-06 14.5346     8.65141e-06 
1 1 1 0  8  51 o 17.9064 5.98744 0.960878     0.62905   0.960878     0.62905   0.798576    8.65142e-06 30.035      8.65141e-06 
1 1 1 0  8  52 o 7.9332  3.81526 -0.207103    0.477548  -0.207103    0.477548  0.20476     180         0.828673    180         
1 1 1 0  8  53 o 41.7655 4.06    3.60383      0.831804  3.60383      0.831804  24.0673     180         17.7186     360         
1 1 1 0  8  54 o 9.13608 4.30442 -0.0633869   0.551758  -0.0633869   0.551758  0.0557812   180         1.14287     180         
1 1 1 0  8  55 o 6.7159  3.37607 -0.593542    0.505203  -0.593542    0.505203  2.07045     8.65893e-06 5.94237     8.65893e-06 
1 1 1 0  8  56 o 27.7562 5.1481  1.86684      0.639942  1.86684      0.639942  29.7026     9.54468e-07 18.5097     9.54468e-07 
1 1 1 0  8  57 o 29.0902 5.14924 2.04961      0.671678  2.04961      0.671678  24.3996     180         4.2896      180         
1 1 1 0  8  58 o 6.23222 3.18019 -0.819043    0.523435  -0.819043    0.523435  1.34588     180         3.47876     180         
1 1 1 0  8  59 o 11.9441 5.10662 0.447377     0.580603  0.447377     0.580603  0.180681    360         1.776       180         
1 1 1 0  8  60 o 15.7297 6.072   0.94845      0.704222  0.94845      0.704222  4.43747     0           12.0269     180         
1 1 1 0  8  61 o 21.2346 6.7335  1.62144      0.79058   1.62144      0.79058   16.7623     5.11116e-07 5.44574     5.11116e-07 
1 1 1 0  8  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  9  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  9  1  o 477.453 2.6663  417.959      6.59795   417.959      6.59795   436.143     270         29.2907     90          
1 1 1 0  9  2  o 87.5017 1.90662 14.0736      0.862929  14.0736      0.862929  30.7484     90          27.7727     270         
1 1 1 0  9  3  o 104.929 1.90395 20.2202      1.03404   20.2202      1.03404   47.3885     270         10.9621     270         
1 1 1 0  9  4  o 82.3443 1.90998 12.4681      0.813266  12.4681      0.813266  12.6911     90          13.743      270         
1 1 1 0  9  5  o 206.273 2.01995 78.0324      2.15886   78.0324      2.15886   162.512     270         63.8556     90          
1 1 1 0  9  6  o 29.6795 2.27011 1.67049      0.338913  1.67049      0.338913  36.0402     90          80.8097     90          
1 1 1 0  9  7  o 184.614 1.99845 62.5132      1.91143   62.5132      1.91143   112.882     90          121.72      270         
1 1 1 0  9  8  o 3.84207 1.93041 -0.226378    0.164416  -0.226378    0.164416  37.2403     270         74.6037     270         
1 1 1 0  9  9  o 94.9917 1.94917 16.5806      0.95794   16.5806      0.95794   26.2856     270         110.249     90          
1 1 1 0  9  10 o 145.46  1.96052 38.8238      1.47703   38.8238      1.47703   146.205     270         92.0807     270         
1 1 1 0  9  11 o 532.778 2.85629 520.436      7.8872    520.436      7.8872    499.204     270         0.27002     270         
1 1 1 0  9  12 o 55.0712 2.09888 5.60732      0.595158  5.60732      0.595158  1.09488     270         4.49057     270         
1 1 1 0  9  13 o 203.952 2.06736 76.291       2.18461   76.291       2.18461   226.363     90          72.2475     90          
1 1 1 0  9  14 o 162.63  2.02464 48.5241      1.70559   48.5241      1.70559   193.63      270         98.6989     270         
1 1 1 0  9  15 o 195.043 2.20958 69.7858      2.23264   69.7858      2.23264   230.136     90          98.9029     90          
1 1 1 0  9  16 o 77.0242 2.37891 10.9376      0.945674  10.9376      0.945674  12.8764     270         37.6872     90          
1 1 1 0  9  17 o 148.983 2.05591 40.7331      1.58635   40.7331      1.58635   41.8234     270         192.308     90          
1 1 1 0  9  18 o 412.985 2.54662 312.766      5.45074   312.766      5.45074   412.976     270         62.5048     270         
1 1 1 0  9  19 o 28.3614 3.11183 1.57751      0.424696  1.57751      0.424696  73.6636     90          164.173     90          
1 1 1 0  9  20 o 27.2785 3.23124 1.47425      0.418396  1.47425      0.418396  57.0596     90          126.506     90          
1 1 1 0  9  21 o 65.4773 2.18692 7.91305      0.738469  7.91305      0.738469  3.1712      270         36.2677     90          
1 1 1 0  9  22 o 21.2592 4.11024 0.994266     0.391539  0.994266     0.391539  55.712      270         120.415     270         
1 1 1 0  9  23 o 172.23  2.98305 54.5198      2.65957   54.5198      2.65957   198.312     90          82.6297     90          
1 1 1 0  9  24 o 59.7541 3.25115 6.66847      0.992945  6.66847      0.992945  8.25716     270         82.8809     90          
1 1 1 0  9  25 o 63.9023 2.24512 7.54472      0.739472  7.54472      0.739472  25.4097     90          63.3668     270         
1 1 1 0  9  26 o 264.72  2.26767 128.596      3.11066   128.596      3.11066   285.784     270         93.4048     270         
1 1 1 0  9  27 o 29.6595 3.10045 1.71697      0.446123  1.71697      0.446123  3.41255     90.0001     15.0235     90.0001     
1 1 1 0  9  28 o 61.4616 2.31903 6.98929      0.73399   6.98929      0.73399   29.4634     270         48.6123     90          
1 1 1 0  9  29 o 52.5889 2.42903 5.13916      0.655581  5.13916      0.655581  25.9605     90          2.77039     90          
1 1 1 0  9  30 f 54.3611 2.61472 5.49854      0.72884   5.49854      0.72884   16.0316     90          0           0           
1 1 1 0  9  31 o 51.9382 2.96897 5.04973      0.786926  5.04973      0.786926  20.4075     270         8.63461     270         
1 1 1 0  9  32 o 157.434 2.19695 45.5315      1.7913    45.5315      1.7913    132.103     270         13.7306     90          
1 1 1 0  9  33 o 255.978 2.31784 120.326      3.07438   120.326      3.07438   253.183     270         56.3857     270         
1 1 1 0  9  34 f 216.033 2.269   85.7267      2.53963   85.7267      2.53963   163.614     270         0           0           
1 1 1 0  9  35 o 188.056 2.40717 65.0166      2.34478   65.0166      2.34478   173.455     270         19.274      270         
1 1 1 0  9  36 o 7.79684 3.7117  -0.184576    0.42979   -0.184576    0.42979   6.34842     270         13.305      270         
1 1 1 0  9  37 o 124.913 2.43146 28.7524      1.57166   28.7524      1.57166   113.884     270         12.1945     270         
1 1 1 0  9  38 o 56.7073 3.26704 6.05082      0.945191  6.05082      0.945191  31.1598     90          35.0638     270         
1 1 1 0  9  39 o 6.63732 3.25963 -0.342539    0.393813  -0.342539    0.393813  11.1703     270         24.0227     270         
1 1 1 0  9  40 o 75.0981 2.59446 10.4746      1.00444   10.4746      1.00444   62.6116     270         2.42667     90          
1 1 1 0  9  41 o 103.727 2.49578 19.9241      1.33841   19.9241      1.33841   100.355     90          25.3327     90          
1 1 1 0  9  42 f 12.3371 4.88253 0.394416     0.468357  0.394416     0.468357  13.2352     90          0           0           
1 1 1 0  9  43 o 10.3507 4.4579  0.19303      0.449396  0.19303      0.449396  5.5833      90          17.6791     90          
1 1 1 0  9  44 o 24.5865 5.40188 1.43104      0.603102  1.43104      0.603102  18.8292     270         1.08092     90          
1 1 1 0  9  45 o 6.41256 3.21908 -0.587134    0.453604  -0.587134    0.453604  8.56674     90          21.1711     90          
1 1 1 0  9  46 o 62.3295 2.55885 7.29168      0.82031   7.29168      0.82031   59.3559     270         16.3015     270         
1 1 1 0  9  47 o 54.4417 2.72913 5.61242      0.761109  5.61242      0.761109  44.5322     90          0.159454    90          
1 1 1 0  9  48 f 35.0406 3.49497 2.44836      0.598501  2.44836      0.598501  16.1788     270         0           0           
1 1 1 0  9  49 o 93.6024 2.48484 16.429       1.20177   16.429       1.20177   77.2079     90          3.47891     90          
1 1 1 0  9  50 o 35.4081 3.87256 2.55833      0.660203  2.55833      0.660203  23.6558     270         9.4143      90          
1 1 1 0  9  51 o 13.5497 5.49949 0.525153     0.61473   0.525153     0.61473   3.38832     90          10.8464     270         
1 1 1 0  9  52 o 24.1546 5.12785 1.41854      0.55935   1.41854      0.55935   15.5531     270         7.01796     90          
1 1 1 0  9  53 o 7.70511 3.73963 -0.253627    0.482252  -0.253627    0.482252  1.88824     90.0001     7.95072     90.0001     
1 1 1 0  9  54 o 21.1513 5.64928 1.24316      0.58029   1.24316      0.58029   17.9503     90          10.198      90          
1 1 1 0  9  55 o 35.3906 4.902   2.83157      0.800709  2.83157      0.800709  37.8785     270         21.0734     270         
1 1 1 0  9  56 o 7.15561 3.53907 -0.379787    0.487199  -0.379787    0.487199  0.66179     90.0002     2.05299     90.0002     
1 1 1 0  9  57 o 9.07326 4.28184 -0.0229666   0.549856  -0.0229666   0.549856  1.07424     90          6.27444     90          
1 1 1 0  9  58 o 7.70533 3.78599 -0.314549    0.532985  -0.314549    0.532985  2.41707     90          7.29906     90          
1 1 1 0  9  59 o 8.24507 4.00206 -0.203969    0.552605  -0.203969    0.552605  3.98819     270         12.703      270         
1 1 1 0  9  60 o 10.643  4.99314 0.149266     0.729327  0.149266     0.729327  0.0381739   89.9999     2.012       270         
1 1 1 0  9  61 o 9.29652 4.6018  -0.392472    0.828723  -0.392472    0.828723  0.454311    90          4.44204     90          
1 1 1 0  10 0  f 406.192 3.47819 302.565      7.32104   302.565      7.32104   304.08      2.20225e-06 0           0           
1 1 1 0  10 1  o 353.518 2.32903 229.136      4.2671    229.136      4.2671    307.516     180         49.2531     8.22282e-06 
1 1 1 0  10 2  o 194.964 2.00298 69.7142      2.02328   69.7142      2.02328   264.723     180         203.049     180         
1 1 1 0  10 3  o 491.551 2.71359 442.995      6.91328   442.995      6.91328   512.55      180         101.927     180         
1 1 1 0  10 4  o 122.417 1.93367 27.5087      1.22565   27.5087      1.22565   109.085     180         25.467      180         
1 1 1 0  10 5  o 108.107 1.9285  21.462       1.07914   21.462       1.07914   19.4172     2.86058e-06 159.998     180         
1 1 1 0  10 6  o 327.127 2.27578 196.207      3.85818   196.207      3.85818   235.293     0           142.693     180         
1 1 1 0  10 7  f 452.213 2.60474 374.932      6.10483   374.932      6.10483   309.365     360         0           0           
1 1 1 0  10 8  o 262.574 2.13479 126.423      2.90475   126.423      2.90475   285.325     180         79.3001     180         
1 1 1 0  10 9  f 139.054 1.96716 35.4837      1.41665   35.4837      1.41665   42.3002     2.00209e-05 0           0           
1 1 1 0  10 10 o 387.96  2.4367  275.964      4.89941   275.964      4.89941   403.081     180         81.8907     180         
1 1 1 0  10 11 o 484.755 2.71446 430.853      6.81985   430.853      6.81985   572.295     2.33918e-06 240.864     2.33918e-06 
1 1 1 0  10 12 o 9.90342 3.84284 0.249563     0.283612  0.249563     0.283612  18.9154     180         38.2534     180         
1 1 1 0  10 13 o 398.831 2.48503 291.659      5.13659   291.659      5.13659   397.519     180         53.8443     180         
1 1 1 0  10 14 o 46.8141 2.26144 4.07329      0.542796  4.07329      0.542796  81.302      8.61609e-06 220.101     8.61609e-06 
1 1 1 0  10 15 o 291.278 2.58088 155.615      3.89541   155.615      3.89541   257.327     1.45755e-06 24.671      180         
1 1 1 0  10 16 o 203.114 2.40895 75.6967      2.53468   75.6967      2.53468   210.429     360         45.6955     360         
1 1 1 0  10 17 o 201.041 2.0997  74.1422      2.18706   74.1422      2.18706   228.579     180         86.9425     180         
1 1 1 0  10 18 o 156.676 2.05161 45.0478      1.66492   45.0478      1.66492   188.486     0           114.645     0           
1 1 1 0  10 19 o 23.2617 3.55903 1.12085      0.376338  1.12085      0.376338  41.3794     180         89.1051     180         
1 1 1 0  10 20 o 341.5   2.37727 213.911      4.20731   213.911      4.20731   316.019     0           6.96094     0           
1 1 1 0  10 21 o 28.2421 3.11203 1.56565      0.422623  1.56565      0.422623  5.08526     180         12.0934     180         
1 1 1 0  10 22 f 229.783 2.49536 96.9116      2.97065   96.9116      2.97065   161.057     360         0           0           
1 1 1 0  10 23 o 130.616 2.63979 31.3739      1.78399   31.3739      1.78399   168.685     180         101.976     180         
1 1 1 0  10 24 o 120.248 2.45506 26.5908      1.52739   26.5908      1.52739   98.3845     180         20.7963     8.69733e-06 
1 1 1 0  10 25 o 73.1569 2.1909  9.8691       0.827427  9.8691       0.827427  4.18401     360         123.505     180         
1 1 1 0  10 26 o 47.8991 2.40434 4.27242      0.58993   4.27242      0.58993   17.8672     0           8.13811     180         
1 1 1 0  10 27 o 143.855 2.13212 38.0101      1.58831   38.0101      1.58831   128.162     180         1.34811     8.66425e-06 
1 1 1 0  10 28 o 77.0371 2.23162 10.9423      0.887744  10.9423      0.887744  9.38593     180         118.698     8.65158e-06 
1 1 1 0  10 29 o 250.937 2.26568 115.589      2.94601   115.589      2.94601   209.222     180         27.7361     360         
1 1 1 0  10 30 o 87.8002 2.22909 14.1985      1.01153   14.1985      1.01153   76.5881     180         2.25674     360         
1 1 1 0  10 31 o 129.078 2.55813 30.6558      1.70857   30.6558      1.70857   148.289     1.55548e-06 68.8763     1.55548e-06 
1 1 1 0  10 32 o 62.5798 2.62162 7.26608      0.843526  7.26608      0.843526  64.1903     360         32.002      360         
1 1 1 0  10 33 o 8.72255 3.93797 0.0284547    0.395986  0.0284547    0.395986  3.62335     360         7.59564     360         
1 1 1 0  10 34 o 58.2488 2.47114 6.29882      0.739921  6.29882      0.739921  47.676      180         25.3198     180         
1 1 1 0  10 35 o 122.677 2.24229 27.697       1.42374   27.697       1.42374   102.371     180         7.94302     360         
1 1 1 0  10 36 o 75.786  2.35101 10.6172      0.919524  10.6172      0.919524  71.3557     180         11.9451     180         
1 1 1 0  10 37 o 47.5896 3.08718 4.27912      0.746042  4.27912      0.746042  48.1843     180         15.5657     180         
1 1 1 0  10 38 o 31.4419 3.77049 1.97736      0.561473  1.97736      0.561473  20.8723     180         7.04789     8.65141e-06 
1 1 1 0  10 39 o 10.009  4.27318 0.185047     0.405353  0.185047     0.405353  9.2248      8.65097e-06 22.4153     8.65097e-06 
1 1 1 0  10 40 o 149.696 2.28354 41.3563      1.77008   41.3563      1.77008   152.798     0           52.3922     0           
1 1 1 0  10 41 o 47.3683 2.73318 4.23223      0.660482  4.23223      0.660482  37.1226     360         5.44302     180         
1 1 1 0  10 42 o 58.5515 2.57637 6.41793      0.774926  6.41793      0.774926  56.9599     180         15.9451     180         
1 1 1 0  10 43 o 59.4821 2.95662 6.67748      0.901082  6.67748      0.901082  49.2817     3.87334e-06 0.413597    180         
1 1 1 0  10 44 o 32.6489 4.15234 2.18478      0.635201  2.18478      0.635201  38.7475     2.25813e-10 25.8781     2.25813e-10 
1 1 1 0  10 45 o 49.0788 3.34659 4.63411      0.832021  4.63411      0.832021  45.5507     360         10.3753     360         
1 1 1 0  10 46 o 26.0245 4.9696  1.53731      0.579326  1.53731      0.579326  17.5161     360         7.36003     180         
1 1 1 0  10 47 f 6.34891 3.14417 -0.379068    0.388155  -0.379068    0.388155  8.48557     6.26571e-06 0           0           
1 1 1 0  10 48 o 24.5525 4.89381 1.39625      0.53919   1.39625      0.53919   20.5043     180         2.18136     180         
1 1 1 0  10 49 o 77.0714 2.58545 11.1941      1.02759   11.1941      1.02759   75.6438     360         27.6156     360         
1 1 1 0  10 50 f 69.6129 2.64669 9.18976      0.948695  9.18976      0.948695  24.7965     360         0           0           
1 1 1 0  10 51 o 15.3102 5.69196 0.726427     0.598246  0.726427     0.598246  6.9443      360         7.3698      180         
1 1 1 0  10 52 o 12.1966 4.97666 0.424081     0.507406  0.424081     0.507406  3.18794     180         3.43486     8.65585e-06 
1 1 1 0  10 53 o 45.4082 3.21214 4.09791      0.737386  4.09791      0.737386  48.7995     5.13776e-06 26.6647     5.13776e-06 
1 1 1 0  10 54 o 7.81006 3.84376 -0.383692    0.555409  -0.383692    0.555409  0.376653    180         1.35387     180         
1 1 1 0  10 55 o 7.84265 3.77202 -0.163019    0.466978  -0.163019    0.466978  2.50312     180         8.64514     180         
1 1 1 0  10 56 o 7.64231 3.73981 -0.286152    0.506669  -0.286152    0.506669  7.00661     180         21.4879     180         
1 1 1 0  10 57 o 16.8591 5.71621 0.953222     0.575386  0.953222     0.575386  6.89767     360         1.19904     360         
1 1 1 0  10 58 o 49.5002 3.37311 5.03975      0.845842  5.03975      0.845842  51.6582     7.52408e-10 28.7627     7.52408e-10 
1 1 1 0  10 59 o 8.22268 4.02043 -0.261064    0.582482  -0.261064    0.582482  2.68805     360         9.12877     360         
1 1 1 0  10 60 o 11.5    5.03897 0.406045     0.597537  0.406045     0.597537  1.17801     180         5.77345     8.65142e-06 
1 1 1 0  10 61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  11 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  11 1  o 260.711 2.12202 124.636      2.86688   124.636      2.86688   195.216     90          96.8123     270         
1 1 1 0  11 2  o 795.898 3.72234 1161.6       15.3554   1161.6       15.3554   735.638     90          15.8885     270         
1 1 1 0  11 3  f 124.631 1.93858 28.5116      1.25102   28.5116      1.25102   259.553     90          0           0           
1 1 1 0  11 4  f 328.098 2.27801 197.376      3.87342   197.376      3.87342   360.778     90          0           0           
1 1 1 0  11 5  o 600.843 3.06707 661.936      9.55135   661.936      9.55135   607.396     90          93.6445     90          
1 1 1 0  11 6  o 152.032 1.97135 42.4086      1.55239   42.4086      1.55239   100.378     90          73.8571     90          
1 1 1 0  11 7  o 1043.06 4.6455  1995.71      25.1151   1995.71      25.1151   1001.57     90          59.9017     90          
1 1 1 0  11 8  o 121.2   1.96916 26.9677      1.23565   26.9677      1.23565   36.4715     270         19.978      270         
1 1 1 0  11 9  o 71.6501 2.02033 9.45477      0.747644  9.45477      0.747644  4.05035     270         39.577      90          
1 1 1 0  11 10 o 326.862 2.28987 195.901      3.87892   195.901      3.87892   350.497     90          94.0843     90          
1 1 1 0  11 11 o 40.1397 2.34028 3.01327      0.479058  3.01327      0.479058  7.77322     89.9999     20.004      89.9999     
1 1 1 0  11 12 o 326.235 2.30029 195.158      3.88907   195.158      3.88907   282.796     270         38.4019     90          
1 1 1 0  11 13 o 248.913 2.14087 113.626      2.76137   113.626      2.76137   224.643     270         10.7952     90          
1 1 1 0  11 14 f 499.123 3.2024  456.956      8.28388   456.956      8.28388   438.669     90          0           0           
1 1 1 0  11 15 o 463.686 3.08619 394.39       7.41637   394.39       7.41637   488.56      90          123.21      90          
1 1 1 0  11 16 f 297.266 2.25458 162.066      3.4732    162.066      3.4732    207.194     90          0           0           
1 1 1 0  11 17 o 379.972 2.44516 264.8        4.81515   264.8        4.81515   384.718     270         72.631      270         
1 1 1 0  11 18 o 23.3682 3.51438 1.12717      0.374203  1.12717      0.374203  50.3693     270         109.685     270         
1 1 1 0  11 19 o 307.148 2.29291 173.051      3.64969   173.051      3.64969   330.084     270         99.5713     270         
1 1 1 0  11 20 o 46.7453 2.32848 4.06655      0.55766   4.06655      0.55766   0.597897    89.9997     5.31044     89.9997     
1 1 1 0  11 21 o 304.088 2.31013 169.649      3.64044   169.649      3.64044   322.217     270         92.3359     270         
1 1 1 0  11 22 o 47.8439 2.66983 4.27726      0.652368  4.27726      0.652368  15.639      270         15.3278     90          
1 1 1 0  11 23 o 188.319 2.46751 65.1252      2.40684   65.1252      2.40684   198.581     90          57.2259     90          
1 1 1 0  11 24 o 32.0708 3.5144  2.01936      0.542489  2.01936      0.542489  19.0202     270         77.4982     270         
1 1 1 0  11 25 o 66.9648 2.24103 8.28117      0.773918  8.28117      0.773918  33.4936     90          51.7891     270         
1 1 1 0  11 26 o 87.5633 2.16755 14.1166      0.981095  14.1166      0.981095  84.9753     90          14.466      90          
1 1 1 0  11 27 o 146.138 2.13833 39.2272      1.61827   39.2272      1.61827   155.943     270         51.5391     270         
1 1 1 0  11 28 o 30.4199 3.20816 1.80868      0.472774  1.80868      0.472774  37.4886     270         123.027     270         
1 1 1 0  11 29 o 84.7136 2.24098 13.2224      0.980931  13.2224      0.980931  46.7578     270         56.2888     90          
1 1 1 0  11 30 o 16.2096 4.81546 0.682935     0.406745  0.682935     0.406745  17.467      90          42.6536     90          
1 1 1 0  11 31 o 473.816 3.24524 412.777      7.96886   412.777      7.96886   450.671     90          70.0155     90          
1 1 1 0  11 32 o 26.0884 4.48157 1.45312      0.525153  1.45312      0.525153  2.83901     89.9999     15.1709     89.9999     
1 1 1 0  11 33 o 68.2563 2.37581 8.61787      0.835925  8.61787      0.835925  12.8808     90          92.9727     270         
1 1 1 0  11 34 o 196.987 2.25447 71.3286      2.30068   71.3286      2.30068   209.543     270         77.8703     270         
1 1 1 0  11 35 o 40.5905 2.87856 3.12212      0.590614  3.12212      0.590614  21.2624     90          25.3439     270         
1 1 1 0  11 36 o 109.223 2.4069  22.0082      1.35971   22.0082      1.35971   93.1698     90          1.11964     270         
1 1 1 0  11 37 o 66.5331 2.78404 8.24455      0.952391  8.24455      0.952391  41.7862     270         30.0708     90          
1 1 1 0  11 38 o 14.3166 4.90287 0.56333      0.424601  0.56333      0.424601  10.7832     270         34.8108     270         
1 1 1 0  11 39 o 45.5644 2.7218  3.9145       0.631899  3.9145       0.631899  25.6038     270         25.832      90          
1 1 1 0  11 40 o 42.8955 2.88309 3.49642      0.626941  3.49642      0.626941  22.3582     90          27.4421     270         
1 1 1 0  11 41 f 31.4036 3.57976 1.97156      0.53734   1.97156      0.53734   13.6416     270         0           0           
1 1 1 0  11 42 o 15.7475 5.03625 0.681835     0.442388  0.681835     0.442388  0.219389    90.0006     0.30638     270.001     
1 1 1 0  11 43 o 79.8297 2.77091 11.9285      1.14028   11.9285      1.14028   78.3128     270         24.509      270         
1 1 1 0  11 44 o 4.26504 2.2123  -0.852919    0.321787  -0.852919    0.321787  0.90545     270         1.97496     270         
1 1 1 0  11 45 o 50.2277 3.36029 4.86204      0.855808  4.86204      0.855808  46.3952     90          10.6212     90          
1 1 1 0  11 46 o 66.4756 2.78257 8.34505      0.951059  8.34505      0.951059  53.1478     270         1.80476     90          
1 1 1 0  11 47 o 35.078  3.55    2.46189      0.607232  2.46189      0.607232  13.6171     270         29.4606     90          
1 1 1 0  11 48 o 34.8405 3.51112 2.43337      0.596902  2.43337      0.596902  26.1662     270         3.6264      90          
1 1 1 0  11 49 o 5.14262 2.64072 -0.794332    0.391077  -0.794332    0.391077  3.1578      90          7.42394     90          
1 1 1 0  11 50 o 36.9072 3.53146 2.74524      0.640765  2.74524      0.640765  31.591      270         4.66183     270         
1 1 1 0  11 51 o 5.63016 2.89245 -0.94332     0.472271  -0.94332     0.472271  1.05431     90          2.73328     90          
1 1 1 0  11 52 o 19.6113 5.59312 1.09298      0.554407  1.09298      0.554407  1.77062     270         27.1161     90          
1 1 1 0  11 53 o 5.95065 3.01724 -0.640916    0.438798  -0.640916    0.438798  4.45778     90          11.5574     90          
1 1 1 0  11 54 o 43.6554 3.82242 3.96539      0.829339  3.96539      0.829339  39.4837     270         11.6158     270         
1 1 1 0  11 55 o 5.24219 2.70472 -0.943874    0.439831  -0.943874    0.439831  5.07726     90          12.1837     90          
1 1 1 0  11 56 o 7.76363 3.78976 -0.259109    0.512363  -0.259109    0.512363  2.27418     90          7.64829     90          
1 1 1 0  11 57 o 7.00262 3.48002 -0.407223    0.48802   -0.407223    0.48802   3.27441     270         8.81822     270         
1 1 1 0  11 58 o 37.9912 4.55032 3.26905      0.818927  3.26905      0.818927  32.5489     270         8.19067     270         
1 1 1 0  11 59 o 7.71316 3.79552 -0.30556     0.541026  -0.30556     0.541026  0.385179    90.0002     1.28518     90.0002     
1 1 1 0  11 60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  12 0  o 53.4972 2.9928  5.34374      0.817629  5.34374      0.817629  15.315      360         37.7586     360         
1 1 1 0  12 1  o 109.633 1.95497 22.0729      1.1094    22.0729      1.1094    54.8311     2.66078e-07 83.4981     180         
1 1 1 0  12 2  o 357.613 2.35008 234.486      4.35554   234.486      4.35554   289.305     360         85.6461     180         
1 1 1 0  12 3  o 342.629 2.3143  215.251      4.10946   215.251      4.10946   259.293     180         117.63      8.26877e-06 
1 1 1 0  12 4  o 360.28  2.35999 238          4.40654   238          4.40654   209.58      180         249.523     9.06197e-06 
1 1 1 0  12 5  o 103.324 1.96926 19.6111      1.05298   19.6111      1.05298   50.7142     180         73.7812     360         
1 1 1 0  12 6  o 37.3019 2.31099 2.60884      0.438613  2.60884      0.438613  85.0765     180         204.232     180         
1 1 1 0  12 7  o 397.211 2.46955 289.299      5.08386   289.299      5.08386   415.7       180         95.7726     180         
1 1 1 0  12 8  o 136.604 1.9779  34.2483      1.39923   34.2483      1.39923   41.5011     180         169.326     8.63818e-06 
1 1 1 0  12 9  o 38.5933 2.34052 2.79015      0.459984  2.79015      0.459984  74.4625     360         183.184     360         
1 1 1 0  12 10 o 347.619 2.34671 221.587      4.22771   221.587      4.22771   292.547     180         56.5352     360         
1 1 1 0  12 11 o 227.017 2.10078 94.5237      2.47117   94.5237      2.47117   230.232     3.29827e-06 42.034      3.29827e-06 
1 1 1 0  12 12 o 135.275 2.00384 33.5896      1.40372   33.5896      1.40372   135.948     360         74.0357     360         
1 1 1 0  12 13 o 39.4518 2.70489 2.93351      0.540417  2.93351      0.540417  60.5427     9.65209e-06 153.527     9.65209e-06 
1 1 1 0  12 14 o 395.396 2.85545 286.793      5.85108   286.793      5.85108   371.054     180         16.8874     180         
1 1 1 0  12 15 o 7.40248 3.31868 0.0325114    0.275465  0.0325114    0.275465  11.8506     180         23.8707     180         
1 1 1 0  12 16 o 486.802 2.74715 434.708      6.93112   434.708      6.93112   545.64      180         201.923     180         
1 1 1 0  12 17 o 150.313 2.04182 41.4723      1.58958   41.4723      1.58958   104.056     1.33249e-06 65.8592     180         
1 1 1 0  12 18 o 53.882  2.21513 5.37769      0.613864  5.37769      0.613864  2.84518     180         72.0091     180         
1 1 1 0  12 19 o 46.1295 2.36669 3.96395      0.558928  3.96395      0.558928  0.984465    180         17.1276     1.08039e-05 
1 1 1 0  12 20 o 136.688 2.06135 34.3089      1.45903   34.3089      1.45903   185.588     180         124.694     180         
1 1 1 0  12 21 o 278.893 2.58552 142.772      3.73636   142.772      3.73636   278.534     1.26477e-06 53.712      1.26477e-06 
1 1 1 0  12 22 o 81.5163 2.438   12.2557      1.02597   12.2557      1.02597   18.1361     3.0786e-09  110.41      180         
1 1 1 0  12 23 o 178.409 2.28824 58.4476      2.11459   58.4476      2.11459   175.575     6.27588e-07 31.0103     6.27588e-07 
1 1 1 0  12 24 o 194.62  2.50919 69.5717      2.52945   69.5717      2.52945   207.24      180         66.3287     180         
1 1 1 0  12 25 o 168.082 2.29382 51.8902      1.99686   51.8902      1.99686   208.861     180         118.011     180         
1 1 1 0  12 26 o 12.2075 4.48026 0.399548     0.367156  0.399548     0.367156  32.0216     180         68.9705     180         
1 1 1 0  12 27 f 123.657 2.14932 28.1031      1.3758    28.1031      1.3758    84.4368     6.297e-08   0           0           
1 1 1 0  12 28 o 244.671 2.26149 109.901      2.86709   109.901      2.86709   248.134     180         64.5281     180         
1 1 1 0  12 29 o 55.2317 2.43056 5.66376      0.689619  5.66376      0.689619  5.57153     180         85.753      8.65144e-06 
1 1 1 0  12 30 o 86.1894 2.2489  13.6894      1.00163   13.6894      1.00163   66.3305     360         18.2532     180         
1 1 1 0  12 31 o 106.174 2.60006 20.7789      1.42708   20.7789      1.42708   109.096     180         33.0177     180         
1 1 1 0  12 32 o 193.545 2.60595 68.9028      2.61231   68.9028      2.61231   177.332     0           18.4882     0           
1 1 1 0  12 33 o 18.6528 5.02576 0.871234     0.457423  0.871234     0.457423  1.7242      180         5.18493     180         
1 1 1 0  12 34 o 70.8018 2.35336 9.27479      0.859337  9.27479      0.859337  60.3268     180         1.25065     8.65131e-06 
1 1 1 0  12 35 o 39.7454 2.85888 2.99851      0.573883  2.99851      0.573883  25.854      180         15.8855     360         
1 1 1 0  12 36 f 49.2155 2.98755 4.56564      0.74872   4.56564      0.74872   47.6941     180         0           0           
1 1 1 0  12 37 o 44.7715 2.77115 3.78175      0.631293  3.78175      0.631293  47.4573     9.22252e-06 33.868      9.22252e-06 
1 1 1 0  12 38 o 63.2863 2.4466  7.45146      0.797088  7.45146      0.797088  71.7178     180         36.536      180         
1 1 1 0  12 39 o 34.8874 3.14849 2.3625       0.544054  2.3625       0.544054  30.4581     2.19307e-06 20.0669     2.19307e-06 
1 1 1 0  12 40 o 69.6931 2.43823 9.04319      0.875896  9.04319      0.875896  57.957      180         0.637383    8.65164e-06 
1 1 1 0  12 41 o 87.8445 2.35571 14.3353      1.06916   14.3353      1.06916   63.2884     180         19.5495     360         
1 1 1 0  12 42 o 25.6525 4.82141 1.47263      0.553903  1.47263      0.553903  23.7634     180         7.99403     180         
1 1 1 0  12 43 o 38.5147 3.1201  2.87304      0.60175   2.87304      0.60175   21.0187     180         21.3263     8.65142e-06 
1 1 1 0  12 44 o 13.8362 4.98711 0.545136     0.449689  0.545136     0.449689  3.09487     180         5.44548     8.65174e-06 
1 1 1 0  12 45 f 32.3196 4.00984 2.14749      0.609969  2.14749      0.609969  15.8439     5.61553e-06 0           0           
1 1 1 0  12 46 o 9.84651 4.40693 0.107018     0.483394  0.107018     0.483394  1.52474     180         8.21565     180         
1 1 1 0  12 47 o 8.47465 3.93688 -0.038822    0.436056  -0.038822    0.436056  1.76905     180         6.22761     180         
1 1 1 0  12 48 o 15.3399 5.23095 0.689018     0.482666  0.689018     0.482666  6.12951     0           1.1269      180         
1 1 1 0  12 49 o 24.9728 4.88726 1.45678      0.54714   1.45678      0.54714   15.0992     180         9.38109     360         
1 1 1 0  12 50 o 82.3583 2.59115 12.8801      1.10119   12.8801      1.10119   75.1719     1.77391e-06 20.5291     1.77391e-06 
1 1 1 0  12 51 o 13.1871 5.39936 0.518191     0.600426  0.518191     0.600426  2.86328     180         0.44848     2.23476e-05 
1 1 1 0  12 52 o 9.80786 4.48732 0.0903945    0.536517  0.0903945    0.536517  0.00881314  360         0.908706    180         
1 1 1 0  12 53 o 8.20805 3.97726 -0.235742    0.540483  -0.235742    0.540483  2.35819     360         8.6326      360         
1 1 1 0  12 54 o 17.2717 5.71796 0.959925     0.572533  0.959925     0.572533  10.6061     2.65156e-08 0.227543    180         
1 1 1 0  12 55 o 38.1151 3.88447 3.10106      0.721191  3.10106      0.721191  38.1896     180         18.3452     180         
1 1 1 0  12 56 o 12.2721 5.16376 0.48235      0.575315  0.48235      0.575315  1.13196     0           7.36583     180         
1 1 1 0  12 57 o 7.15956 3.551   -0.392133    0.500642  -0.392133    0.500642  4.06443     180         11.0281     180         
1 1 1 0  12 58 o 7.39001 3.72188 -0.649445    0.624619  -0.649445    0.624619  3.74596     180         11.0436     180         
1 1 1 0  12 59 o 7.09093 3.55669 -0.530309    0.549748  -0.530309    0.549748  10.2085     180         27.9062     180         
1 1 1 0  13 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  13 1  o 153.243 1.97836 43.0892      1.57032   43.0892      1.57032   149.018     90          19.0417     90          
1 1 1 0  13 2  o 130.366 1.96874 31.1957      1.32904   31.1957      1.32904   126.327     90          55.6132     90          
1 1 1 0  13 3  o 218.986 2.06279 87.9523      2.34061   87.9523      2.34061   227.069     90          50.1751     90          
1 1 1 0  13 4  o 173.978 2.00189 55.528       1.80428   55.528       1.80428   187.768     270         56.7546     270         
1 1 1 0  13 5  o 194.911 2.03133 69.6858      2.05133   69.6858      2.05133   266.247     90          201.575     90          
1 1 1 0  13 6  o 30.6282 2.58411 1.79197      0.394858  1.79197      0.394858  80.1547     90          181.54      90          
1 1 1 0  13 7  o 58.065  2.08801 6.22845      0.624733  6.22845      0.624733  4.21138     90          24.3732     90          
1 1 1 0  13 8  o 12.8646 4.11409 0.440119     0.295213  0.440119     0.295213  11.8337     90.0001     24.1523     90.0001     
1 1 1 0  13 9  o 139.28  2.00012 35.6061      1.44268   35.6061      1.44268   145.905     270         52.4762     270         
1 1 1 0  13 10 o 74.9943 2.05336 10.3568      0.7955    10.3568      0.7955    6.81248     270         12.7605     89.9999     
1 1 1 0  13 11 o 293.456 2.2308  157.943      3.39252   157.943      3.39252   224.071     270         89.2851     90          
1 1 1 0  13 12 o 124.212 2.14804 28.3382      1.38118   28.3382      1.38118   103.257     270         13.3177     90          
1 1 1 0  13 13 f 469.45  3.09843 404.374      7.53835   404.374      7.53835   363.973     270         0           0           
1 1 1 0  13 14 o 41.7144 2.45578 3.25683      0.522244  3.25683      0.522244  8.48293     270         27.5759     270         
1 1 1 0  13 15 o 13.4071 4.22586 0.476198     0.311367  0.476198     0.311367  6.43412     270         13.325      270         
1 1 1 0  13 16 o 127.745 2.03939 29.9688      1.34889   29.9688      1.34889   59.4159     270         113.038     90          
1 1 1 0  13 17 o 63.0769 2.14242 7.34661      0.696796  7.34661      0.696796  20.4949     90          64.7562     270         
1 1 1 0  13 18 o 269.78  2.22416 133.537      3.10938   133.537      3.10938   317.661     90          147.806     90          
1 1 1 0  13 19 o 316.4   2.32213 183.684      3.80758   183.684      3.80758   275.779     90          18.8129     270         
1 1 1 0  13 20 o 49.2194 2.62924 4.52047      0.661789  4.52047      0.661789  13.7847     270         51.1295     90          
1 1 1 0  13 21 o 246.744 2.52739 111.78       3.23106   111.78       3.23106   232.739     90          23.0099     90          
1 1 1 0  13 22 o 377.324 2.4835  261.307      4.85652   261.307      4.85652   400.663     90          126.608     90          
1 1 1 0  13 23 o 16.3611 4.5079  0.673539     0.364552  0.673539     0.364552  37.7904     90          85.628      90          
1 1 1 0  13 24 o 105.921 2.50017 20.6571      1.36926   20.6571      1.36926   76.0295     270         36.2002     90          
1 1 1 0  13 25 o 28.539  3.63508 1.63362      0.485942  1.63362      0.485942  11.4524     270         50.2285     270         
1 1 1 0  13 26 o 191.484 2.16783 67.3212      2.1505    67.3212      2.1505    219.229     90          100.351     90          
1 1 1 0  13 27 o 114.458 2.16707 24.0887      1.28365   24.0887      1.28365   68.6741     270         64.0498     90          
1 1 1 0  13 28 o 41.0726 2.74234 3.17959      0.571179  3.17959      0.571179  1.64273     269.999     0.00626779  89.9991     
1 1 1 0  13 29 o 141.338 2.17773 36.714       1.59378   36.714       1.59378   132.785     90          18.6997     90          
1 1 1 0  13 30 o 15.6532 4.85179 0.648337     0.410658  0.648337     0.410658  10.1286     270         24.0874     270         
1 1 1 0  13 31 o 24.1039 4.59642 1.27814      0.496266  1.27814      0.496266  4.54987     90          19.756      90          
1 1 1 0  13 32 o 20.1611 5.38859 1.01585      0.527796  1.01585      0.527796  1.48639     89.9997     5.48939     89.9997     
1 1 1 0  13 33 o 112.287 2.23755 23.227       1.30003   23.227       1.30003   134.218     270         75.4821     270         
1 1 1 0  13 34 o 164.58  2.22055 49.8597      1.89283   49.8597      1.89283   147.832     270         14.0949     270         
1 1 1 0  13 35 o 108.708 2.56356 21.8408      1.44091   21.8408      1.44091   92.5742     270         0.00975037  270         
1 1 1 0  13 36 o 5.09953 2.59284 -0.571654    0.333846  -0.571654    0.333846  20.8456     90          43.4942     90          
1 1 1 0  13 37 o 9.65774 4.14042 0.167142     0.383872  0.167142     0.383872  3.29056     270         8.08344     270         
1 1 1 0  13 38 f 54.7831 2.57349 5.61778      0.72329   5.61778      0.72329   61.5101     90          0           0           
1 1 1 0  13 39 f 6.28893 3.07657 -0.270651    0.342224  -0.270651    0.342224  0.887031    270         0           0           
1 1 1 0  13 40 o 15.0469 5.03944 0.631311     0.445787  0.631311     0.445787  1.17491     90          22.1264     90          
1 1 1 0  13 41 o 20.2    5.0976  1.01669      0.486895  1.01669      0.486895  6.66695     270         19.1283     90          
1 1 1 0  13 42 o 60.9684 2.88841 7.01371      0.90329   7.01371      0.90329   54.5579     90          8.89819     90          
1 1 1 0  13 43 o 89.0053 2.41545 14.7709      1.11068   14.7709      1.11068   68.7747     90          7.93849     270         
1 1 1 0  13 44 o 8.80846 3.97633 0.054229     0.403606  0.054229     0.403606  0.190675    89.9996     0.721499    89.9996     
1 1 1 0  13 45 o 19.4505 5.51903 1.01632      0.540685  1.01632      0.540685  13.5572     270         2.04792     270         
1 1 1 0  13 46 o 64.1115 3.11789 7.85899      1.02472   7.85899      1.02472   49.6331     90          3.70583     270         
1 1 1 0  13 47 o 11.3197 4.68283 0.323207     0.459199  0.323207     0.459199  1.26809     270         15.4252     270         
1 1 1 0  13 48 o 38.7023 3.3068  2.97106      0.637694  2.97106      0.637694  51.1818     270         42.4348     270         
1 1 1 0  13 49 o 45.4761 3.08167 4.04612      0.710143  4.04612      0.710143  51.3017     270         30.9193     270         
1 1 1 0  13 50 o 11.5628 4.7811  0.367243     0.478288  0.367243     0.478288  0.72928     270         0.722938    90          
1 1 1 0  13 51 o 7.07624 3.52432 -0.493518    0.509089  -0.493518    0.509089  2.86362     270         9.11615     270         
1 1 1 0  13 52 o 11.7302 5.13089 0.342267     0.616907  0.342267     0.616907  1.24752     270         4.73166     89.9999     
1 1 1 0  13 53 o 45.5289 3.74771 4.30184      0.853229  4.30184      0.853229  50.359      270         30.8521     270         
1 1 1 0  13 54 o 8.96737 4.25966 -0.0696519   0.560355  -0.0696519   0.560355  0.106144    270         0.708704    270         
1 1 1 0  13 55 o 5.34094 2.76623 -1.13653     0.489887  -1.13653     0.489887  8.14165     90          19.0932     90          
1 1 1 0  13 56 o 17.6188 5.84378 1.04269      0.598217  1.04269      0.598217  6.09494     270         0.859192    270         
1 1 1 0  13 57 o 9.29704 4.46176 -0.0906474   0.646065  -0.0906474   0.646065  0.257702    89.9999     1.29643     89.9999     
1 1 1 0  13 58 o 31.2907 4.9936  2.38005      0.706581  2.38005      0.706581  29.7819     270         13.3907     270         
1 1 1 0  13 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  14 0  o 221.022 2.93535 89.6503      3.36032   89.6503      3.36032   208.079     1.35088e-06 13.839      1.35088e-06 
1 1 1 0  14 1  o 82.5127 1.99858 12.525       0.85254   12.525       0.85254   23.8528     360         22.2645     180         
1 1 1 0  14 2  o 202.505 2.04561 75.2241      2.14629   75.2241      2.14629   253.011     0           136.355     0           
1 1 1 0  14 3  o 7.91999 3.39334 0.106171     0.25751   0.106171     0.25751   13.3182     180         26.8416     180         
1 1 1 0  14 4  o 419.415 2.52414 322.614      5.48678   322.614      5.48678   448.129     360         128.201     360         
1 1 1 0  14 5  o 498.182 2.75266 455.201      7.10741   455.201      7.10741   427.664     180         56.4314     8.66896e-06 
1 1 1 0  14 6  f 446.995 2.60347 366.457      6.03142   366.457      6.03142   277.652     0           0           0           
1 1 1 0  14 7  o 64.9092 2.05446 7.77058      0.688087  7.77058      0.688087  3.11928     180         71.7053     180         
1 1 1 0  14 8  o 137.053 1.99439 34.4806      1.41552   34.4806      1.41552   152.516     0           80.5448     0           
1 1 1 0  14 9  o 330.78  2.30904 200.686      3.95828   200.686      3.95828   280.849     2.03641e-06 41.4594     180         
1 1 1 0  14 10 o 8.88682 3.63866 0.177059     0.272685  0.177059     0.272685  22.2873     180         45.1387     180         
1 1 1 0  14 11 f 366.801 2.41173 246.798      4.58464   246.798      4.58464   355.195     2.24297e-06 0           0           
1 1 1 0  14 12 o 298.225 2.58491 163.199      3.9946    163.199      3.9946    352.905     180         164.263     180         
1 1 1 0  14 13 o 27.4004 3.1286  1.4806       0.409631  1.4806       0.409631  7.71048     2.20033e-05 19.3091     2.20033e-05 
1 1 1 0  14 14 o 38.9231 2.36896 2.8398       0.469488  2.8398       0.469488  29.588      8.61374e-06 110.931     8.61374e-06 
1 1 1 0  14 15 f 233.86  2.13784 100.347      2.5906    100.347      2.5906    230.651     180         0           0           
1 1 1 0  14 16 o 88.1537 2.05883 14.2977      0.938461  14.2977      0.938461  71.9525     0           14.594      180         
1 1 1 0  14 17 o 75.3491 2.06551 10.4591      0.803986  10.4591      0.803986  66.0506     180         0.142548    8.71065e-06 
1 1 1 0  14 18 o 115.647 2.06348 24.576       1.23521   24.576       1.23521   158.747     180         114.054     180         
1 1 1 0  14 19 o 4.67313 2.35208 -0.352311    0.248005  -0.352311    0.248005  5.30712     180         10.7094     180         
1 1 1 0  14 20 o 109.159 2.36272 21.9226      1.33407   21.9226      1.33407   126.489     2.33159e-08 106.983     2.33159e-08 
1 1 1 0  14 21 o 128.351 2.10414 30.2674      1.39823   30.2674      1.39823   98.1012     1.6588e-06  32.3619     180         
1 1 1 0  14 22 o 74.8005 2.18151 10.3164      0.842569  10.3164      0.842569  42.1119     180         30.6476     180         
1 1 1 0  14 23 f 55.5238 2.30355 5.71448      0.657721  5.71448      0.657721  57.3133     360         0           0           
1 1 1 0  14 24 o 44.7691 3.05315 3.78197      0.692404  3.78197      0.692404  14.3929     0           0.112164    0           
1 1 1 0  14 25 o 162.598 2.50729 48.5944      2.11098   48.5944      2.11098   204.417     180         122.767     180         
1 1 1 0  14 26 o 151.237 2.15517 42.0201      1.688     42.0201      1.688     129.704     180         5.78024     8.65145e-06 
1 1 1 0  14 27 o 35.2678 2.88884 2.37487      0.509689  2.37487      0.509689  7.20568     1.11281e-05 25.227      180         
1 1 1 0  14 28 o 58.0603 2.41242 6.25299      0.720253  6.25299      0.720253  32.3754     180         35.1866     8.65117e-06 
1 1 1 0  14 29 o 6.73332 3.24464 -0.20568     0.348996  -0.20568     0.348996  38.6092     180         79.276      180         
1 1 1 0  14 30 o 110.316 2.19701 22.4019      1.25408   22.4019      1.25408   68.1826     180         54.2401     8.6514e-06  
1 1 1 0  14 31 o 46.0286 2.84575 3.98634      0.66652   3.98634      0.66652   39.2182     180         5.24341     180         
1 1 1 0  14 32 o 7.9502  3.73716 -0.116748    0.411913  -0.116748    0.411913  2.34112     8.65139e-06 5.12608     8.65139e-06 
1 1 1 0  14 33 o 72.5652 2.34514 9.74782      0.877913  9.74782      0.877913  2.49606     9.0737e-07  118.837     180         
1 1 1 0  14 34 o 7.8265  3.61294 -0.0368512   0.358789  -0.0368512   0.358789  28.492      180         62.8435     180         
1 1 1 0  14 35 o 9.56951 4.17184 0.134691     0.40459   0.134691     0.40459   7.24015     360         17.2884     360         
1 1 1 0  14 36 o 36.4701 2.97331 2.55537      0.542699  2.55537      0.542699  35.9808     180         16.1837     180         
1 1 1 0  14 37 o 16.1399 4.90908 0.696147     0.421139  0.696147     0.421139  0.0738602   9.09343e-06 10.437      180         
1 1 1 0  14 38 o 61.299  2.46356 7.01476      0.776964  7.01476      0.776964  65.466      180         28.7423     180         
1 1 1 0  14 39 o 5.93094 2.92713 -0.309473    0.328314  -0.309473    0.328314  5.6232      360         12.7615     360         
1 1 1 0  14 40 o 9.52819 4.11003 0.160818     0.383298  0.160818     0.383298  10.6062     8.65139e-06 32.4908     8.65139e-06 
1 1 1 0  14 41 o 5.61436 2.83166 -0.524557    0.366487  -0.524557    0.366487  15.8752     180         36.613      180         
1 1 1 0  14 42 o 123.895 2.33151 28.5343      1.49495   28.5343      1.49495   109.38      180         16.5203     180         
1 1 1 0  14 43 o 21.4087 4.86516 1.10321      0.476308  1.10321      0.476308  4.70681     180         25.2111     360         
1 1 1 0  14 44 o 53.6775 2.7227  5.46707      0.748436  5.46707      0.748436  44.8275     180         3.02057     180         
1 1 1 0  14 45 o 13.4007 4.89405 0.519777     0.436647  0.519777     0.436647  2.54281     180         4.36235     360         
1 1 1 0  14 46 o 9.78145 4.43942 0.0712449    0.511557  0.0712449    0.511557  0.218283    8.65252e-06 1.72177     8.65252e-06 
1 1 1 0  14 47 o 46.6745 2.95951 4.2173       0.702151  4.2173       0.702151  44.3505     3.19323e-06 14.71       3.19323e-06 
1 1 1 0  14 48 o 25.4732 4.78314 1.50254      0.545663  1.50254      0.545663  24.3139     180         8.94416     180         
1 1 1 0  14 49 o 14.7222 5.21548 0.665452     0.487224  0.665452     0.487224  3.22617     360         0.783832    360         
1 1 1 0  14 50 o 16.2819 5.47366 0.818177     0.526397  0.818177     0.526397  6.98869     360         10.1        180         
1 1 1 0  14 51 o 11.8671 5.12283 0.370713     0.596482  0.370713     0.596482  1.50222     360         4.67773     180         
1 1 1 0  14 52 f 9.93969 4.83566 -0.28752     0.817556  -0.28752     0.817556  15.1673     2.90717e-06 0           0           
1 1 1 0  14 53 o 5.10743 2.63837 -0.945646    0.426553  -0.945646    0.426553  7.17861     180         17.0069     180         
1 1 1 0  14 54 o 22.7308 5.94187 1.50264      0.648795  1.50264      0.648795  18.0337     360         3.20091     360         
1 1 1 0  14 55 o 11.042  4.80388 0.337232     0.53388   0.337232     0.53388   0.116168    180         2.26898     180         
1 1 1 0  14 56 o 13.1565 5.27342 0.601837     0.555374  0.601837     0.555374  0.00028455  180         0.000384702 3.97246e-05 
1 1 1 0  14 57 o 10.9902 4.98761 0.292209     0.645516  0.292209     0.645516  0.0825496   180         0.593829    3.59721e-05 
1 1 1 0  14 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  15 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  15 1  o 240.214 2.10952 105.848      2.6258    105.848      2.6258    231.155     90          25.2676     90          
1 1 1 0  15 2  o 73.2464 2.02977 9.88179      0.76797   9.88179      0.76797   20.5449     270         64.179      90          
1 1 1 0  15 3  o 307.019 2.24555 172.897      3.57284   172.897      3.57284   311.879     90          65.4649     90          
1 1 1 0  15 4  o 44.3778 2.23661 3.66589      0.508382  3.66589      0.508382  19.4113     90          70.3121     90          
1 1 1 0  15 5  o 217.167 2.08116 86.5209      2.3418    86.5209      2.3418    270.717     90          146.975     90          
1 1 1 0  15 6  o 207.871 2.06454 79.2767      2.22359   79.2767      2.22359   193.754     270         10.1786     270         
1 1 1 0  15 7  f 199.955 2.059   73.3583      2.13311   73.3583      2.13311   148.588     90          0           0           
1 1 1 0  15 8  o 210.2   2.07836 81.0668      2.26357   81.0668      2.26357   143.171     270         94.5122     90          
1 1 1 0  15 9  o 154.53  2.02131 43.8316      1.61786   43.8316      1.61786   109.165     90          61.3435     270         
1 1 1 0  15 10 o 167.651 2.02494 51.585       1.75859   51.585       1.75859   119.808     90          63.4272     270         
1 1 1 0  15 11 f 130.569 2.31442 31.3267      1.56421   31.3267      1.56421   76.3347     270         0           0           
1 1 1 0  15 12 o 60.1    2.41704 6.68936      0.747373  6.68936      0.747373  26.3004     90          52.169      270         
1 1 1 0  15 13 o 132.561 2.02245 32.27        1.38825   32.27        1.38825   151.541     270         64.5722     270         
1 1 1 0  15 14 f 34.9419 2.45326 2.30516      0.433554  2.30516      0.433554  26.5585     270         0           0           
1 1 1 0  15 15 o 50.0269 2.21861 4.64442      0.570081  4.64442      0.570081  20.4505     90          4.79239     270         
1 1 1 0  15 16 o 43.2568 2.3461  3.49271      0.518754  3.49271      0.518754  0.77478     270         68.5779     270         
1 1 1 0  15 17 o 112.691 2.04662 23.3383      1.19374   23.3383      1.19374   96.1739     270         8.82497     90          
1 1 1 0  15 18 o 70.3753 2.1554  9.13593      0.782918  9.13593      0.782918  14.7258     270         95.6953     90          
1 1 1 0  15 19 o 260.638 2.52978 124.731      3.41639   124.731      3.41639   241         270         18.8944     270         
1 1 1 0  15 20 o 186.103 2.24224 63.5964      2.16164   63.5964      2.16164   146.517     90          36.7899     270         
1 1 1 0  15 21 o 259.746 2.23347 123.836      3.00619   123.836      3.00619   276.146     270         93.1926     270         
1 1 1 0  15 22 o 104.641 2.11975 20.1368      1.14765   20.1368      1.14765   6.46306     90          171.502     270         
1 1 1 0  15 23 o 39.1576 2.63769 2.89028      0.523537  2.89028      0.523537  12.6869     270         29.8704     90          
1 1 1 0  15 24 o 38.9086 3.24271 2.89511      0.630189  2.89511      0.630189  1.28209     270         0.333208    89.9998     
1 1 1 0  15 25 o 212.219 2.5696  82.7642      2.82485   82.7642      2.82485   163.667     270         43.2475     90          
1 1 1 0  15 26 o 12.739  4.61252 0.438249     0.385724  0.438249     0.385724  48.8302     270         107.743     270         
1 1 1 0  15 27 o 149.775 2.16938 41.2315      1.68265   41.2315      1.68265   189.525     270         119.293     270         
1 1 1 0  15 28 o 11.8374 4.49608 0.369261     0.380071  0.369261     0.380071  7.47616     270         16.5735     270         
1 1 1 0  15 29 o 139.001 2.19001 35.542       1.57619   35.542       1.57619   161.093     90          82.884      90          
1 1 1 0  15 30 o 20.7734 4.54648 0.994875     0.428575  0.994875     0.428575  4.01518     90          26.6691     90          
1 1 1 0  15 31 o 70.1056 2.35032 9.10006      0.84971   9.10006      0.84971   79.7205     90          39.7168     90          
1 1 1 0  15 32 o 109.084 2.63125 21.9966      1.4839    21.9966      1.4839    98.3196     270         11.0892     270         
1 1 1 0  15 33 o 29.3573 3.82216 1.7473       0.523523  1.7473       0.523523  12.1187     270         3.7753      270         
1 1 1 0  15 34 o 9.32668 4.0837  0.119833     0.391749  0.119833     0.391749  11.4198     270         27.0793     270         
1 1 1 0  15 35 o 112.158 2.38561 23.2682      1.38411   23.2682      1.38411   91.499      270         5.27515     90          
1 1 1 0  15 36 o 9.52611 4.08878 0.163411     0.375291  0.163411     0.375291  6.13538     90          16.2252     90          
1 1 1 0  15 37 o 36.1312 3.00309 2.52131      0.542099  2.52131      0.542099  34.5739     270         9.38871     270         
1 1 1 0  15 38 o 6.3822  3.10434 -0.233298    0.336552  -0.233298    0.336552  5.65978     90          13.2557     90          
1 1 1 0  15 39 o 37.1499 3.02485 2.6682       0.562462  2.6682       0.562462  23.0037     270         15.1513     90          
1 1 1 0  15 40 o 78.4248 2.72878 11.52        1.10316   11.52        1.10316   62.7883     270         2.86301     90          
1 1 1 0  15 41 o 49.5547 2.86649 4.67193      0.724604  4.67193      0.724604  46.7116     90          12.6966     90          
1 1 1 0  15 42 o 22.5611 4.71421 1.18685      0.479327  1.18685      0.479327  7.57727     270         21.2837     90          
1 1 1 0  15 43 o 56.0943 2.65911 5.95522      0.765091  5.95522      0.765091  43.2764     270         3.82274     90          
1 1 1 0  15 44 o 42.4083 3.05556 3.48685      0.654393  3.48685      0.654393  50.1154     90          32.3332     90          
1 1 1 0  15 45 o 42.4965 3.09545 3.51547      0.663869  3.51547      0.663869  47.1789     90          26.6828     90          
1 1 1 0  15 46 o 37.9874 4.07101 2.96716      0.747176  2.96716      0.747176  38.6187     90          17.104      90          
1 1 1 0  15 47 o 7.73014 3.79256 -0.379305    0.529685  -0.379305    0.529685  12.297      90          34.7481     90          
1 1 1 0  15 48 o 36.4713 4.02846 2.78025      0.706191  2.78025      0.706191  36.7443     270         16.4632     270         
1 1 1 0  15 49 o 16.886  5.71676 0.892375     0.575255  0.892375     0.575255  8.10581     270         8.79112     90          
1 1 1 0  15 50 o 5.55139 2.84258 -0.793491    0.436453  -0.793491    0.436453  1.25924     90          3.1033      90          
1 1 1 0  15 51 o 5.89718 3.01073 -0.785202    0.471952  -0.785202    0.471952  7.44897     270         18.5762     270         
1 1 1 0  15 52 o 9.5747  4.49563 0.00712925   0.593229  0.00712925   0.593229  5.60548     90          22.768      90          
1 1 1 0  15 53 o 14.7032 5.40628 0.734528     0.535312  0.734528     0.535312  5.43117     270         3.96025     90          
1 1 1 0  15 54 o 10.4575 4.67436 0.244558     0.541861  0.244558     0.541861  0.622948    90          4.83611     90          
1 1 1 0  15 55 o 6.81808 3.4029  -0.445905    0.482653  -0.445905    0.482653  0.15204     270         0.407115    270         
1 1 1 0  15 56 f 16.852  6.07631 1.05584      0.667711  1.05584      0.667711  11.9602     270         0           0           
1 1 1 0  15 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  16 0  o 17.6703 5.02756 0.795053     0.448288  0.795053     0.448288  44.9243     2.2638e-05  94.075      2.2638e-05  
1 1 1 0  16 1  o 110.071 1.99156 22.2595      1.13463   22.2595      1.13463   73.1699     180         52.2494     360         
1 1 1 0  16 2  o 52.5547 2.12337 5.11436      0.574096  5.11436      0.574096  12.9896     180         44.6897     8.80463e-06 
1 1 1 0  16 3  o 145.339 2.0018  38.7781      1.50682   38.7781      1.50682   119.381     3.28601e-06 23.42       180         
1 1 1 0  16 4  o 388.892 2.45577 277.472      4.94959   277.472      4.94959   395.497     180         89.7789     180         
1 1 1 0  16 5  f 242.466 2.12807 107.863      2.67373   107.863      2.67373   189.793     180         0           0           
1 1 1 0  16 6  o 226.423 2.09882 94.0658      2.4624    94.0658      2.4624    206.635     180         5.54269     180         
1 1 1 0  16 7  f 31.8436 2.552   1.93058      0.407305  1.93058      0.407305  42.0663     360         0           0           
1 1 1 0  16 8  f 307.254 2.26065 173.208      3.59961   173.208      3.59961   260.154     360         0           0           
1 1 1 0  16 9  o 146.235 2.02216 39.2618      1.53152   39.2618      1.53152   149.246     360         35.9398     360         
1 1 1 0  16 10 o 139.437 2.31748 35.7233      1.67295   35.7233      1.67295   84.4396     3.43264e-07 81.156      180         
1 1 1 0  16 11 o 17.4855 4.42555 0.741995     0.366347  0.741995     0.366347  14.8343     8.66932e-06 34.3567     8.66932e-06 
1 1 1 0  16 12 o 12.6532 4.17424 0.430028     0.304932  0.430028     0.304932  36.7492     180         78.7564     180         
1 1 1 0  16 13 o 33.1242 2.62082 2.08766      0.435565  2.08766      0.435565  10.7993     8.73474e-06 56.865      8.73474e-06 
1 1 1 0  16 14 o 136.406 2.03901 34.1727      1.44027   34.1727      1.44027   139.115     180         35.1719     180         
1 1 1 0  16 15 o 54.2614 2.2364  5.45601      0.624097  5.45601      0.624097  30.7655     4.04627e-06 21.8587     180         
1 1 1 0  16 16 f 44.9048 2.3657  3.76076      0.543469  3.76076      0.543469  23.0566     180         0           0           
1 1 1 0  16 17 o 91.5206 2.05887 15.4106      0.9745    15.4106      0.9745    82.7961     180         3.73024     180         
1 1 1 0  16 18 o 11.812  4.34816 0.373462     0.346557  0.373462     0.346557  38.0914     8.65176e-06 81.7895     8.65176e-06 
1 1 1 0  16 19 o 92.9426 2.37725 15.9129      1.1419    15.9129      1.1419    86.3441     5.11167e-07 8.94347     5.11167e-07 
1 1 1 0  16 20 f 79.8748 2.14475 11.7553      0.885097  11.7553      0.885097  89.206      360         0           0           
1 1 1 0  16 21 o 67.4183 2.2094  8.39332      0.768327  8.39332      0.768327  60.9409     180         5.01955     180         
1 1 1 0  16 22 o 133.187 2.10126 32.5955      1.44905   32.5955      1.44905   98.2128     180         36.4436     8.65156e-06 
1 1 1 0  16 23 o 94.1232 2.15834 16.3085      1.05053   16.3085      1.05053   74.1383     3.93005e-06 15.8021     180         
1 1 1 0  16 24 o 35.2601 3.49476 2.41675      0.602779  2.41675      0.602779  3.49607     180         5.29401     8.65383e-06 
1 1 1 0  16 25 o 28.9895 4.31749 1.73765      0.571101  1.73765      0.571101  0.484334    180         7.70853     180         
1 1 1 0  16 26 o 14.0261 4.7328  0.533414     0.393917  0.533414     0.393917  17.7277     180         41.1088     180         
1 1 1 0  16 27 o 118.361 2.1675  25.7811      1.32782   25.7811      1.32782   101.722     2.20443e-06 0.195282    180         
1 1 1 0  16 28 o 6.93014 3.29178 -0.135204    0.334564  -0.135204    0.334564  23.1272     8.65014e-06 48.6678     8.65014e-06 
1 1 1 0  16 29 o 90.9248 2.228   15.2526      1.04723   15.2526      1.04723   44.5853     180         66.1164     8.65143e-06 
1 1 1 0  16 30 o 50.3487 2.50103 4.73456      0.645201  4.73456      0.645201  55.191      180         25.7826     180         
1 1 1 0  16 31 o 143.725 2.19664 38.0605      1.63479   38.0605      1.63479   136.886     180         30.2396     180         
1 1 1 0  16 32 o 23.3527 5.14241 1.27032      0.545552  1.27032      0.545552  3.81791     8.65141e-06 44.5239     8.65141e-06 
1 1 1 0  16 33 o 82.0322 2.86652 12.5306      1.21208   12.5306      1.21208   72.8927     3.42815e-07 7.95276     3.42815e-07 
1 1 1 0  16 34 o 37.3195 3.26535 2.69883      0.605695  2.69883      0.605695  33.3187     9.09361e-07 4.93842     9.09361e-07 
1 1 1 0  16 35 o 144.357 2.25549 38.5248      1.68589   38.5248      1.68589   123.288     1.4709e-06  6.18387     1.4709e-06  
1 1 1 0  16 36 o 8.2498  3.75129 0.0175533    0.367448  0.0175533    0.367448  10.0224     180         25.7354     180         
1 1 1 0  16 37 o 16.9269 4.85076 0.752091     0.4164    0.752091     0.4164    3.90264     1.08628e-07 16.7019     180         
1 1 1 0  16 38 o 7.42217 3.47956 -0.0800429   0.353112  -0.0800429   0.353112  10.0814     180         26.7716     180         
1 1 1 0  16 39 o 42.0154 3.08216 3.3992       0.653245  3.3992       0.653245  16.2987     1.09616e-06 36.02       180         
1 1 1 0  16 40 o 6.66146 3.25665 -0.287607    0.381877  -0.287607    0.381877  9.45584     180         23.8346     180         
1 1 1 0  16 41 o 5.23515 2.66073 -0.580096    0.350013  -0.580096    0.350013  0.681807    180         1.57256     180         
1 1 1 0  16 42 o 8.51805 3.87466 0.0312872    0.392463  0.0312872    0.392463  0.94557     8.65135e-06 3.34283     8.65135e-06 
1 1 1 0  16 43 o 51.7453 2.79136 5.10731      0.738444  5.10731      0.738444  46.0212     180         9.33827     180         
1 1 1 0  16 44 o 15.1939 5.60662 0.692716     0.577192  0.692716     0.577192  2.77311     1.26914e-06 16.7557     180         
1 1 1 0  16 45 o 20.842  5.47495 1.14858      0.549457  1.14858      0.549457  14.7153     180         2.65553     8.65148e-06 
1 1 1 0  16 46 o 6.74564 3.39003 -0.625092    0.508051  -0.625092    0.508051  1.44389     8.70477e-06 4.35717     8.70477e-06 
1 1 1 0  16 47 o 39.0241 3.76068 3.12233      0.720786  3.12233      0.720786  36.3651     9.18017e-07 11.8181     9.18017e-07 
1 1 1 0  16 48 o 23.608  5.04391 1.37497      0.538232  1.37497      0.538232  13.7673     360         9.03271     180         
1 1 1 0  16 49 f 9.83869 4.36114 0.180824     0.460994  0.180824     0.460994  10.2477     180         0           0           
1 1 1 0  16 50 o 9.0484  4.16663 0.0562456    0.472964  0.0562456    0.472964  0.492574    8.74231e-06 2.81085     8.74232e-06 
1 1 1 0  16 51 o 14.6527 5.65615 0.737849     0.611053  0.737849     0.611053  5.90418     180         5.42963     8.57031e-06 
1 1 1 0  16 52 o 5.13687 2.669   -1.23234     0.483317  -1.23234     0.483317  0.0439969   180         0.103246    180         
1 1 1 0  16 53 o 7.6547  3.7307  -0.237187    0.49182   -0.237187    0.49182   3.18773     8.66489e-06 9.21089     8.66489e-06 
1 1 1 0  16 54 o 10.1305 4.59878 0.190664     0.549307  0.190664     0.549307  1.3426      8.66317e-06 8.36141     8.66317e-06 
1 1 1 0  16 55 o 8.11695 3.93599 -0.181289    0.53152   -0.181289    0.53152   1.76951     360         6.32024     360         
1 1 1 0  16 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  17 0  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  17 1  f 56.9901 2.1205  6.00611      0.622439  6.00611      0.622439  58.087      90          0           0           
1 1 1 0  17 2  o 323.77  2.29396 192.345      3.84906   192.345      3.84906   383.473     90          187.65      90          
1 1 1 0  17 3  o 86.3685 2.03751 13.7262      0.909888  13.7262      0.909888  76.2775     90          1.11098     270         
1 1 1 0  17 4  o 31.5062 2.60931 1.89482      0.410859  1.89482      0.410859  35.1594     90          116.05      90          
1 1 1 0  17 5  o 240.512 2.13206 106.148      2.65713   106.148      2.65713   279.989     90          130.242     90          
1 1 1 0  17 6  o 41.3924 2.31636 3.20152      0.489631  3.20152      0.489631  7.30338     90          23.9162     270         
1 1 1 0  17 7  o 16.9616 4.12277 0.686687     0.326007  0.686687     0.326007  41.6509     270         94.8933     270         
1 1 1 0  17 8  o 250.415 2.15258 115.073      2.79323   115.073      2.79323   291.923     90          137.562     90          
1 1 1 0  17 9  o 47.4545 2.6193  4.20728      0.635028  4.20728      0.635028  7.74032     90          96.2905     90          
1 1 1 0  17 10 o 15.9267 4.65022 0.653944     0.380754  0.653944     0.380754  10.9233     270         24.6395     270         
1 1 1 0  17 11 o 57.9683 2.14201 6.21422      0.639602  6.21422      0.639602  25.5607     90.0001     9.39341     90.0001     
1 1 1 0  17 12 o 97.7749 2.05866 17.5818      1.04129   17.5818      1.04129   56.4998     270         60.3308     90          
1 1 1 0  17 13 o 4.47383 2.2508  -0.318702    0.226206  -0.318702    0.226206  5.62828     89.9999     11.3568     89.9999     
1 1 1 0  17 14 o 110.776 2.05665 22.5557      1.17912   22.5557      1.17912   63.9308     270         67.8532     90          
1 1 1 0  17 15 o 23.9898 3.52053 1.18328      0.386213  1.18328      0.386213  2.86468     90.0001     9.28024     90.0001     
1 1 1 0  17 16 o 97.5858 2.08364 17.5168      1.05182   17.5168      1.05182   126.822     270         84.7148     270         
1 1 1 0  17 17 o 180.729 2.39988 60.003       2.24649   60.003       2.24649   183.162     270         48.9642     270         
1 1 1 0  17 18 o 36.0551 3.00844 2.48505      0.541723  2.48505      0.541723  8.39796     270         28.2923     90          
1 1 1 0  17 19 o 10.4112 4.1156  0.269007     0.332304  0.269007     0.332304  5.75478     270         12.3493     270         
1 1 1 0  17 20 o 84.9724 2.17064 13.3013      0.95325   13.3013      0.95325   106.848     89.9999     81.8802     89.9999     
1 1 1 0  17 21 o 42.3469 2.55664 3.36383      0.551422  3.36383      0.551422  19.72       270         19.3455     90          
1 1 1 0  17 22 o 88.9156 2.16059 14.5622      0.993152  14.5622      0.993152  41.3387     90          71.4671     270         
1 1 1 0  17 23 o 165.929 2.14737 50.5929      1.84558   50.5929      1.84558   135.116     90          16.5743     270         
1 1 1 0  17 24 o 104.413 2.31776 20.0826      1.25166   20.0826      1.25166   119.815     270         59.7349     270         
1 1 1 0  17 25 o 41.6938 3.19471 3.31073      0.669933  3.31073      0.669933  27.5483     270         7.20826     90          
1 1 1 0  17 26 o 15.0205 4.89995 0.60917      0.419486  0.60917      0.419486  21.8462     270         58.1113     270         
1 1 1 0  17 27 o 9.12632 3.91757 0.142877     0.344592  0.142877     0.344592  5.34838     270         12.3062     270         
1 1 1 0  17 28 o 130.693 2.1697  31.4584      1.46805   31.4584      1.46805   154.196     90          86.2494     90          
1 1 1 0  17 29 o 9.70831 4.05995 0.197692     0.351674  0.197692     0.351674  10.4911     270         24.9129     270         
1 1 1 0  17 30 o 15.2896 4.6562  0.619733     0.378813  0.619733     0.378813  3.46301     89.9999     14.4714     89.9999     
1 1 1 0  17 31 f 103.968 2.22342 19.965       1.19577   19.965       1.19577   95.7054     90          0           0           
1 1 1 0  17 32 o 61.4702 3.13738 7.11148      0.987473  7.11148      0.987473  54.3142     270         5.7821      270         
1 1 1 0  17 33 o 75.7171 3.34706 10.7869      1.30177   10.7869      1.30177   69.7846     270         13.4267     270         
1 1 1 0  17 34 o 107.47  2.26483 21.3911      1.25916   21.3911      1.25916   86.5247     90          5.20584     270         
1 1 1 0  17 35 o 13.7585 4.73278 0.528739     0.396253  0.528739     0.396253  0.0150113   90.0074     0.0959251   270.007     
1 1 1 0  17 36 o 51.8766 2.5723  5.0624       0.683757  5.0624       0.683757  42.5482     270         0.159904    90          
1 1 1 0  17 37 o 12.7037 4.6929  0.451021     0.404715  0.451021     0.404715  1.26708     90          5.35977     270         
1 1 1 0  17 38 o 10.1038 4.26326 0.218657     0.394216  0.218657     0.394216  0.841298    270         5.12489     270         
1 1 1 0  17 39 o 30.7847 4.06236 1.96425      0.582073  1.96425      0.582073  31.9824     90          14.564      90          
1 1 1 0  17 40 o 17.4415 5.71844 0.872913     0.57172   0.872913     0.57172   9.06812     270         5.31871     90          
1 1 1 0  17 41 o 90.0451 2.59585 15.2232      1.20704   15.2232      1.20704   91.3652     270         38.4474     270         
1 1 1 0  17 42 o 7.85046 3.70439 -0.104195    0.411367  -0.104195    0.411367  3.32872     270         10.3499     270         
1 1 1 0  17 43 o 22.9269 5.30151 1.30374      0.558218  1.30374      0.558218  21.3331     270         10.0456     270         
1 1 1 0  17 44 o 7.3751  3.54082 -0.1785      0.407719  -0.1785      0.407719  1.74014     270         5.7409      270         
1 1 1 0  17 45 o 22.1218 5.28413 1.24766      0.541856  1.24766      0.541856  12.6255     90          9.28736     270         
1 1 1 0  17 46 o 46.2799 3.29462 4.25144      0.770557  4.25144      0.770557  42.289      90          12.5136     90          
1 1 1 0  17 47 o 6.09719 3.08948 -0.659945    0.456877  -0.659945    0.456877  4.11785     90          11.0008     90          
1 1 1 0  17 48 o 14.7311 5.36004 0.697979     0.522491  0.697979     0.522491  5.2358      270         1.52194     89.9999     
1 1 1 0  17 49 o 10.2312 4.52974 0.217045     0.49576   0.217045     0.49576   0.141516    90          4.91082     90          
1 1 1 0  17 50 o 30.776  5.17629 2.2632       0.716681  2.2632       0.716681  27.228      270         7.77399     270         
1 1 1 0  17 51 o 13.4741 5.23535 0.612837     0.527155  0.612837     0.527155  3.31028     270         6.60463     90          
1 1 1 0  17 52 o 6.69514 3.39362 -0.726857    0.553208  -0.726857    0.553208  0.900574    270         2.3245      270         
1 1 1 0  17 53 o 8.1978  4.0036  -0.261992    0.573484  -0.261992    0.573484  2.47792     90          8.07091     90          
1 1 1 0  17 54 o 25.1344 5.57593 1.71697      0.637583  1.71697      0.637583  19.0736     270         1.38733     270         
1 1 1 0  17 55 o ?       ?       ?            ?         ?            ?         2.60861     90          0           0           
1 1 1 0  18 0  f 256.412 3.07239 120.708      4.08097   120.708      4.08097   255.198     180         0           0           
1 1 1 0  18 1  o 116.869 2.02853 25.0968      1.22722   25.0968      1.22722   93.4905     3.72709e-06 20.2817     180         
1 1 1 0  18 2  o 141.907 2.02823 36.9805      1.49056   36.9805      1.49056   162.707     360         73.8003     360         
1 1 1 0  18 3  o 29.2038 2.75618 1.64666      0.396447  1.64666      0.396447  4.08376     2.23166e-05 17.0987     2.23166e-05 
1 1 1 0  18 4  o 5.50788 2.65786 -0.14495     0.235948  -0.14495     0.235948  6.87562     360         13.9268     360         
1 1 1 0  18 5  f 127.517 2.03129 29.8706      1.34114   29.8706      1.34114   113.908     180         0           0           
1 1 1 0  18 6  o 13.8745 4.24166 0.505117     0.314228  0.505117     0.314228  9.01741     180         19.7816     180         
1 1 1 0  18 7  o 13.5865 4.21754 0.487059     0.310282  0.487059     0.310282  19.8891     180         43.5123     180         
1 1 1 0  18 8  o 69.8752 2.26505 9.01383      0.816473  9.01383      0.816473  36.7901     0           49.2584     180         
1 1 1 0  18 9  o 38.3605 2.91999 2.79387      0.563638  2.79387      0.563638  5.91743     180         28.2637     360         
1 1 1 0  18 10 o 6.40061 3.0286  -0.102454    0.278319  -0.102454    0.278319  4.50926     180         9.20095     180         
1 1 1 0  18 11 f 40.0782 2.42819 3.01169      0.495595  3.01169      0.495595  22.177      180         0           0           
1 1 1 0  18 12 o 217.528 2.13502 86.8558      2.40635   86.8558      2.40635   216.777     360         51.3848     360         
1 1 1 0  18 13 o 41.0138 2.40643 3.14993      0.503214  3.14993      0.503214  10.6856     360         40.8906     180         
1 1 1 0  18 14 o 49.6863 2.28264 4.58685      0.582132  4.58685      0.582132  8.13976     360         69.6682     180         
1 1 1 0  18 15 f 63.9686 2.36611 7.57087      0.779642  7.57087      0.779642  59.799      360         0           0           
1 1 1 0  18 16 o 45.7749 2.53697 3.91664      0.593222  3.91664      0.593222  26.2584     360         16.8717     180         
1 1 1 0  18 17 o 55.8888 2.56871 5.8069       0.736859  5.8069       0.736859  44.3061     180         3.15925     8.65079e-06 
1 1 1 0  18 18 o 36.2994 2.6878  2.49806      0.491868  2.49806      0.491868  4.62016     180         41.1396     8.65139e-06 
1 1 1 0  18 19 o 12.6504 4.4263  0.434064     0.348913  0.434064     0.348913  10.6419     360         23.6078     360         
1 1 1 0  18 20 o 35.3137 2.80798 2.37677      0.497318  2.37677      0.497318  4.67715     0           8.63364     180         
1 1 1 0  18 21 o 206.848 2.18011 78.6087      2.33637   78.6087      2.33637   207.85      1.4317e-06  59.3256     1.4317e-06  
1 1 1 0  18 22 o 33.8794 2.87941 2.20007      0.486338  2.20007      0.486338  2.8756      360         1.64601     180         
1 1 1 0  18 23 o 29.4498 3.21569 1.70595      0.456094  1.70595      0.456094  4.5036      180         30.0091     360         
1 1 1 0  18 24 o 12.1637 4.64787 0.389717     0.408461  0.389717     0.408461  9.85747     180         24.3455     180         
1 1 1 0  18 25 o 72.3995 2.64586 9.72536      0.986876  9.72536      0.986876  48.0713     5.5063e-07  27.0926     180         
1 1 1 0  18 26 o 65.9737 2.4722  8.07808      0.839988  8.07808      0.839988  76.8226     360         41.8043     360         
1 1 1 0  18 27 o 22.7664 4.08927 1.12471      0.417214  1.12471      0.417214  2.46006     360         26.6065     180         
1 1 1 0  18 28 o 8.10966 3.65119 0.0355625    0.337602  0.0355625    0.337602  6.24506     8.65183e-06 14.0506     8.65183e-06 
1 1 1 0  18 29 o 53.5889 2.45733 5.361        0.675931  5.361        0.675931  45.322      180         0.727654    180         
1 1 1 0  18 30 o 101.223 2.22953 18.9402      1.16726   18.9402      1.16726   80.9362     180         7.33626     360         
1 1 1 0  18 31 o 73.8025 2.27643 10.1072      0.867094  10.1072      0.867094  76.2336     180         29.5902     180         
1 1 1 0  18 32 o 8.21027 3.85126 -0.101431    0.433618  -0.101431    0.433618  16.0016     8.65134e-06 39.2585     8.65134e-06 
1 1 1 0  18 33 o 37.3265 3.60511 2.74244      0.660706  2.74244      0.660706  42.1747     180         23.5737     180         
1 1 1 0  18 34 o 37.7062 2.86108 2.73036      0.542969  2.73036      0.542969  39.6194     180         17.3554     180         
1 1 1 0  18 35 o 36.1291 3.36727 2.56031      0.600181  2.56031      0.600181  42.6674     180         26.6085     180         
1 1 1 0  18 36 o 65.0044 2.68403 7.93693      0.897279  7.93693      0.897279  48.4532     0           8.9634      180         
1 1 1 0  18 37 o 29.0073 4.13296 1.7646       0.550757  1.7646       0.550757  28.7065     360         10.9526     360         
1 1 1 0  18 38 o 29.3585 4.88918 1.89132      0.646296  1.89132      0.646296  27.8487     180         8.72048     180         
1 1 1 0  18 39 o 87.9489 2.44231 14.4722      1.10952   14.4722      1.10952   72.9987     2.81315e-06 4.86311     2.81315e-06 
1 1 1 0  18 40 o 13.1495 4.85932 0.498269     0.434044  0.498269     0.434044  1.02883     180         13.9413     8.65148e-06 
1 1 1 0  18 41 o 28.1565 4.20632 1.69766      0.540168  1.69766      0.540168  11.8793     360         20.949      180         
1 1 1 0  18 42 o 30.424  3.80507 1.92195      0.544073  1.92195      0.544073  35.7486     2.28791e-11 25.1611     2.28791e-11 
1 1 1 0  18 43 o 61.4464 2.64196 7.19255      0.8343    7.19255      0.8343    65.1929     180         33.8855     180         
1 1 1 0  18 44 o 9.93582 4.34388 0.189477     0.441645  0.189477     0.441645  3.86992     8.64547e-06 20.5374     8.64547e-06 
1 1 1 0  18 45 o 22.4649 5.12684 1.27278      0.527216  1.27278      0.527216  21.3803     360         9.41223     360         
1 1 1 0  18 46 o 22.4649 5.44288 1.32738      0.569415  1.32738      0.569415  19.6611     0           6.11871     0           
1 1 1 0  18 47 o 16.0864 5.74741 0.848514     0.594291  0.848514     0.594291  2.57248     3.75796e-06 0.485733    3.75796e-06 
1 1 1 0  18 48 o 16.8417 5.52559 0.893378     0.533864  0.893378     0.533864  3.50695     360         18.0097     180         
1 1 1 0  18 49 o 12.4158 5.21021 0.479101     0.582817  0.479101     0.582817  0.860107    180         18.3369     180         
1 1 1 0  18 50 o 4.5301  2.36077 -1.1394      0.401781  -1.1394      0.401781  4.36066     180         9.75953     180         
1 1 1 0  18 51 o 15.6097 5.5401  0.829237     0.550272  0.829237     0.550272  3.27987     180         1.08193     8.69621e-06 
1 1 1 0  18 52 o 18.5318 6.13907 1.18048      0.660049  1.18048      0.660049  9.29052     180         2.36291     180         
1 1 1 0  18 53 o 49.8017 3.64764 5.23457      0.916456  5.23457      0.916456  48.677      180         23.9279     180         
1 1 1 0  18 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  19 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  19 1  o 224.588 2.12039 92.5782      2.46751   92.5782      2.46751   205.351     270         16.1864     270         
1 1 1 0  19 2  o 39.7673 2.46706 2.96829      0.499154  2.96829      0.499154  0.50816     270         60.5555     90          
1 1 1 0  19 3  f 145.198 2.04217 38.718       1.53566   38.718       1.53566   110.887     90          0           0           
1 1 1 0  19 4  o 102.39  2.05657 19.2775      1.08954   19.2775      1.08954   53.3189     90          73.0456     270         
1 1 1 0  19 5  o 52.025  2.25707 5.02157      0.603374  5.02157      0.603374  29.2148     270         10.2253     270         
1 1 1 0  19 6  o 165.633 2.05928 50.3721      1.76681   50.3721      1.76681   132.065     90          26.1542     270         
1 1 1 0  19 7  o 13.7905 4.47493 0.509279     0.349659  0.509279     0.349659  23.6984     270         53.4168     270         
1 1 1 0  19 8  o 189.734 2.41096 66.1268      2.36946   66.1268      2.36946   153.84      90          24.2318     270         
1 1 1 0  19 9  o 192.757 2.23709 68.2293      2.23389   68.2293      2.23389   150.87      90          35.0847     270         
1 1 1 0  19 10 o 45.8897 2.31383 3.92284      0.543844  3.92284      0.543844  26.8025     90          16.2409     270         
1 1 1 0  19 11 o 101.95  2.06871 19.1161      1.09121   19.1161      1.09121   77.4983     90          22.6822     270         
1 1 1 0  19 12 o 34.7089 2.60492 2.28523      0.455402  2.28523      0.455402  6.3799      90          23.9827     270         
1 1 1 0  19 13 o 8.61644 3.70402 0.122825     0.308998  0.122825     0.308998  35.956      270         75.2127     270         
1 1 1 0  19 14 o 34.3356 2.72547 2.24537      0.469401  2.24537      0.469401  9.99241     90          73.0784     90          
1 1 1 0  19 15 o 59.5314 2.55292 6.57905      0.781093  6.57905      0.781093  21.863      90          58.9417     270         
1 1 1 0  19 16 o 154.223 2.37429 43.7331      1.89605   43.7331      1.89605   169.239     270         72.0739     270         
1 1 1 0  19 17 o 58.4951 2.38958 6.34606      0.718976  6.34606      0.718976  50.6418     90          8.06993     90          
1 1 1 0  19 18 o 59.046  2.27521 6.45897      0.691616  6.45897      0.691616  25.131      270         50.9928     90          
1 1 1 0  19 19 o 63.2186 2.22407 7.39409      0.724691  7.39409      0.724691  45.8221     270         16.5154     90          
1 1 1 0  19 20 o 34.6    2.85626 2.29021      0.494052  2.29021      0.494052  16.0622     90          8.47192     270         
1 1 1 0  19 21 o 68.544  2.22912 8.68768      0.788187  8.68768      0.788187  37.3523     90          42.2655     270         
1 1 1 0  19 22 o 65.1797 2.24104 7.86445      0.75307   7.86445      0.75307   65.5074     90          20.1143     90          
1 1 1 0  19 23 o 9.01925 3.8495  0.147294     0.32876   0.147294     0.32876   10.3363     90          23.7156     90          
1 1 1 0  19 24 o 24.2921 4.24378 1.2712       0.46257   1.2712       0.46257   7.82113     270         13.4193     90          
1 1 1 0  19 25 o 14.0806 4.91337 0.545063     0.429432  0.545063     0.429432  9.23073     270         29.2926     270         
1 1 1 0  19 26 o 6.19578 3.02202 -0.245218    0.324234  -0.245218    0.324234  0.819115    270         1.74854     270         
1 1 1 0  19 27 o 57.0513 2.3853  6.06218      0.699707  6.06218      0.699707  66.4759     90          37.6545     90          
1 1 1 0  19 28 o 39.6241 2.72959 2.98254      0.547597  2.98254      0.547597  36.7048     90          7.98363     90          
1 1 1 0  19 29 o 14.3761 4.62899 0.562885     0.37389   0.562885     0.37389   11.533      270         42.7696     270         
1 1 1 0  19 30 o 50.7026 2.52738 4.82491      0.656529  4.82491      0.656529  38.5044     90          6.94182     270         
1 1 1 0  19 31 o 18.6201 6.02    0.969165     0.632573  0.969165     0.632573  7.42531     270         5.29602     90          
1 1 1 0  19 32 o 33.6365 4.22179 2.3129       0.666966  2.3129       0.666966  35.3463     270         16.0239     270         
1 1 1 0  19 33 o 46.2332 3.62719 4.14922      0.841943  4.14922      0.841943  31.694      270         12.2166     90          
1 1 1 0  19 34 o 101.122 2.71297 19.0951      1.41742   19.0951      1.41742   93.9701     90          23.3039     90          
1 1 1 0  19 35 o 8.95458 3.94993 0.107235     0.373367  0.107235     0.373367  3.4078      90          12.2589     90          
1 1 1 0  19 36 f 22.099  4.62432 1.13653      0.460637  1.13653      0.460637  22.7246     90          0           0           
1 1 1 0  19 37 o 25.7799 4.52814 1.47077      0.523643  1.47077      0.523643  24.1804     270         16.1671     270         
1 1 1 0  19 38 o 32.4167 3.93817 2.15994      0.603189  2.15994      0.603189  20.8158     90          10.1526     270         
1 1 1 0  19 39 f 45.3852 2.85282 3.95534      0.658385  3.95534      0.658385  34.6502     270         0           0           
1 1 1 0  19 40 o 33.18   3.50583 2.22351      0.563341  2.22351      0.563341  22.2426     270         7.97945     90          
1 1 1 0  19 41 o 17.9402 5.23393 0.8885       0.482435  0.8885       0.482435  12.4714     270         0.665014    270         
1 1 1 0  19 42 o 16.2483 5.235   0.770403     0.478217  0.770403     0.478217  6.82201     270         10.5004     90          
1 1 1 0  19 43 o 10.3531 4.40262 0.254584     0.426838  0.254584     0.426838  0.612322    270         7.77119     90          
1 1 1 0  19 44 o 7.28957 3.53191 -0.221585    0.426026  -0.221585    0.426026  1.54391     270         5.34419     270         
1 1 1 0  19 45 o 13.7677 5.15569 0.598293     0.493666  0.598293     0.493666  2.98165     90          12.2777     270         
1 1 1 0  19 46 o 78.7344 2.84528 12.0373      1.15428   12.0373      1.15428   77.6421     90          34.9414     90          
1 1 1 0  19 47 o 9.8601  4.54814 0.08842      0.566968  0.08842      0.566968  0.515061    270         6.06213     270         
1 1 1 0  19 48 o 12.4231 5.27467 0.47524      0.610787  0.47524      0.610787  0.200364    270         15.1765     90          
1 1 1 0  19 49 o 7.07421 3.51151 -0.406884    0.492543  -0.406884    0.492543  0.184116    90.0001     0.513674    90.0001     
1 1 1 0  19 50 o 6.70478 3.34405 -0.433513    0.463527  -0.433513    0.463527  3.27012     90          8.37658     90          
1 1 1 0  19 51 o 5.89942 3.0058  -0.703238    0.459355  -0.703238    0.459355  0.0668165   90.0006     0.163989    90.0006     
1 1 1 0  19 52 o 15.4729 5.77224 0.879855     0.616901  0.879855     0.616901  4.8231      90          0.00839329  90          
1 1 1 0  19 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  20 0  o 32.9617 4.19493 2.17786      0.647785  2.17786      0.647785  1.08415     180         4.04368     180         
1 1 1 0  20 1  o 80.8311 2.10136 12.0361      0.877756  12.0361      0.877756  93.3771     180         48.2538     180         
1 1 1 0  20 2  o 78.6294 2.13821 11.3942      0.868567  11.3942      0.868567  70.9372     180         5.43307     180         
1 1 1 0  20 3  o 157.109 2.06296 45.3335      1.67874   45.3335      1.67874   182.466     180         91.8609     180         
1 1 1 0  20 4  o 97.1173 2.08944 17.3532      1.04965   17.3532      1.04965   70.2392     360         28.2429     180         
1 1 1 0  20 5  o 328.78  2.33285 198.454      3.97488   198.454      3.97488   299.569     9.89071e-07 28.2846     9.89072e-07 
1 1 1 0  20 6  o 79.5701 2.2616  11.6756      0.929386  11.6756      0.929386  66.9896     360         3.92546     180         
1 1 1 0  20 7  o 42.1284 2.79964 3.34477      0.598239  3.34477      0.598239  16.7361     180         28.9811     8.65076e-06 
1 1 1 0  20 8  o 141.976 2.19046 37.0445      1.61033   37.0445      1.61033   79.1868     0           87.5039     180         
1 1 1 0  20 9  f 47.6177 2.31729 4.22066      0.565652  4.22066      0.565652  59.0763     360         0           0           
1 1 1 0  20 10 o 297.595 2.41206 162.661      3.71976   162.661      3.71976   307.673     360         101.182     360         
1 1 1 0  20 11 o 10.2059 4.0055  0.262278     0.31207   0.262278     0.31207   27.0581     180         57.6163     180         
1 1 1 0  20 12 o 113.582 2.06461 23.7246      1.21375   23.7246      1.21375   154.428     180         114.258     180         
1 1 1 0  20 13 o 89.0333 2.08136 14.5979      0.958191  14.5979      0.958191  58.5745     1.47429e-06 35.9761     180         
1 1 1 0  20 14 f 201.479 2.12228 74.5757      2.21537   74.5757      2.21537   110.502     360         0           0           
1 1 1 0  20 15 o 27.6227 3.75161 1.55008      0.479903  1.55008      0.479903  0.189876    180         2.79039     7.69337e-05 
1 1 1 0  20 16 o 36.5064 2.84532 2.5387       0.52177   2.5387       0.52177   16.8756     3.21218e-06 17.9767     180         
1 1 1 0  20 17 o 125.187 2.0921  28.8323      1.35589   28.8323      1.35589   84.9055     180         43.8061     360         
1 1 1 0  20 18 o 50.8402 2.32996 4.81039      0.608031  4.81039      0.608031  29.4782     180         27.5186     8.65157e-06 
1 1 1 0  20 19 o 64.3252 2.22873 7.66048      0.739052  7.66048      0.739052  38.4721     180         32.3005     8.65147e-06 
1 1 1 0  20 20 o 45.1356 2.42712 3.81236      0.56012   3.81236      0.56012   49.4291     180         30.7337     180         
1 1 1 0  20 21 o 80.4076 2.16695 11.9412      0.9002    11.9412      0.9002    75.6572     360         15.4734     360         
1 1 1 0  20 22 o 29.8491 3.09305 1.74589      0.448537  1.74589      0.448537  0.272022    360         49.2012     180         
1 1 1 0  20 23 o 49.818  2.38522 4.63319      0.609365  4.63319      0.609365  47.3002     360         11.1541     360         
1 1 1 0  20 24 o 24.8992 4.09747 1.31868      0.459874  1.31868      0.459874  9.39121     360         16.101      180         
1 1 1 0  20 25 o 14.4876 4.94967 0.579368     0.432411  0.579368     0.432411  10.837      180         38.0669     180         
1 1 1 0  20 26 o 39.197  3.69595 3.00515      0.713623  3.00515      0.713623  25.3998     180         14.3337     8.65165e-06 
1 1 1 0  20 27 f 119.988 2.34893 26.6439      1.45843   26.6439      1.45843   74.9864     3.73129e-07 0           0           
1 1 1 0  20 28 o ?       ?       -0.917192    0.223094  -0.917192    0.223094  0.966188    180         0           0           
1 1 1 0  20 29 o 13.0608 4.80203 0.475006     0.422316  0.475006     0.422316  0.202728    180         5.99114     180         
1 1 1 0  20 30 o 45.5131 2.84549 3.93669      0.658692  3.93669      0.658692  40.771      180         6.93922     180         
1 1 1 0  20 31 f 13.0527 4.87243 0.474581     0.439778  0.474581     0.439778  33.4674     180         0           0           
1 1 1 0  20 32 o 12.021  4.68696 0.389092     0.424108  0.389092     0.424108  0.320428    3.09603e-10 2.6137      180         
1 1 1 0  20 33 o 122.73  2.67681 28.1173      1.69927   28.1173      1.69927   104.919     180         11.1487     180         
1 1 1 0  20 34 o 74.6018 2.57936 10.4354      0.991989  10.4354      0.991989  60.0376     0           0.167023    180         
1 1 1 0  20 35 o 12.5466 4.70747 0.444702     0.412218  0.444702     0.412218  0.65169     360         11.8527     180         
1 1 1 0  20 36 o 7.83234 3.65138 -0.0542845   0.380245  -0.0542845   0.380245  9.39405     180         26.2984     180         
1 1 1 0  20 37 o 18.4883 5.26115 0.919094     0.490886  0.919094     0.490886  10.1772     180         6.61349     360         
1 1 1 0  20 38 o 31.9705 3.55975 2.07455      0.546251  2.07455      0.546251  37.5789     180         29.7173     180         
1 1 1 0  20 39 o 37.9697 3.22352 2.84817      0.610257  2.84817      0.610257  30.7708     1.32526e-06 1.79447     1.32526e-06 
1 1 1 0  20 40 o 17.2595 5.10703 0.828722     0.457856  0.828722     0.457856  7.9741      360         10.0743     180         
1 1 1 0  20 41 o 5.67793 2.86621 -0.525201    0.378632  -0.525201    0.378632  4.00781     180         10.3443     180         
1 1 1 0  20 42 o 45.4356 3.06308 4.06011      0.705414  4.06011      0.705414  36.7544     180         3.14744     180         
1 1 1 0  20 43 o 12.3719 4.92293 0.459417     0.479393  0.459417     0.479393  2.54636     180         3.26748     360         
1 1 1 0  20 44 o 19.237  5.53365 1.06899      0.541298  1.06899      0.541298  7.32326     180         14.3565     8.65116e-06 
1 1 1 0  20 45 o 28.3701 4.61942 1.84918      0.591345  1.84918      0.591345  29.9723     3.29317e-06 18.0425     3.29317e-06 
1 1 1 0  20 46 o 10.568  4.58457 0.277215     0.483055  0.277215     0.483055  0.280341    180         4.83973     8.57836e-06 
1 1 1 0  20 47 o 10.5307 4.76355 0.208856     0.582885  0.208856     0.582885  0.0119904   3.99274e-05 1.05216     180         
1 1 1 0  20 48 o 10.3115 4.76322 0.135469     0.625096  0.135469     0.625096  1.23783     180         8.04522     180         
1 1 1 0  20 49 o 23.7793 5.54692 1.53424      0.607187  1.53424      0.607187  19.4809     180         10.2218     180         
1 1 1 0  20 50 o 18.2709 5.71172 1.07818      0.568903  1.07818      0.568903  10.865      1.53396e-09 0.859167    1.53395e-09 
1 1 1 0  20 51 o 10.3952 4.62487 0.266111     0.523612  0.266111     0.523612  0.096091    180         3.04392     8.65142e-06 
1 1 1 0  20 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  21 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  21 1  o 3.31747 1.73027 -0.686653    0.219774  -0.686653    0.219774  7.74282     89.9999     15.5816     89.9999     
1 1 1 0  21 2  o 110.684 2.08546 22.5329      1.19459   22.5329      1.19459   122.605     270         54.8178     270         
1 1 1 0  21 3  o 77.3407 2.15403 11.0306      0.860509  11.0306      0.860509  38.5693     270         55.8504     90          
1 1 1 0  21 4  o 62.7665 2.22087 7.2865       0.718426  7.2865       0.718426  59.1353     270         17.7397     270         
1 1 1 0  21 5  o 101.167 2.2359  18.8452      1.16993   18.8452      1.16993   126.125     270         79.1146     270         
1 1 1 0  21 6  o 51.9116 2.6691  5.02918      0.709314  5.02918      0.709314  40.2234     90          5.11893     90          
1 1 1 0  21 7  o 10.7271 4.1253  0.298708     0.323809  0.298708     0.323809  0.00101907  270.384     0.00220314  270.384     
1 1 1 0  21 8  o 132.017 2.06747 32.0414      1.41325   32.0414      1.41325   121.958     270         17.6938     270         
1 1 1 0  21 9  o 191.704 2.08708 67.5201      2.07286   67.5201      2.07286   197.986     90          67.8361     90          
1 1 1 0  21 10 o 31.5468 2.84519 1.91683      0.444601  1.91683      0.444601  2.8426      270         3.52598     90.0003     
1 1 1 0  21 11 o 73.6278 2.10544 10.0037      0.800562  10.0037      0.800562  48.4119     90          28.8664     270         
1 1 1 0  21 12 f 129.993 2.06351 31.0798      1.38887   31.0798      1.38887   127.088     90          0           0           
1 1 1 0  21 13 o 194.357 2.09293 69.4351      2.10746   69.4351      2.10746   188.148     90          45.5406     90          
1 1 1 0  21 14 o 61.1147 2.47954 6.93587      0.779539  6.93587      0.779539  28.6348     90          46.5501     270         
1 1 1 0  21 15 f 7.82699 3.53075 0.026362     0.317534  0.026362     0.317534  23.1408     90          0           0           
1 1 1 0  21 16 o 34.7926 2.68689 2.3067       0.469913  2.3067       0.469913  20.8789     90          15.4471     270         
1 1 1 0  21 17 o 6.49774 3.08718 -0.119329    0.294609  -0.119329    0.294609  31.5781     270         67.285      270         
1 1 1 0  21 18 o 67.3769 2.19204 8.40282      0.761878  8.40282      0.761878  70.9325     90          28.3762     90          
1 1 1 0  21 19 o 128.769 2.08428 30.5459      1.38958   30.5459      1.38958   115.858     270         15.3273     270         
1 1 1 0  21 20 o 51.1217 2.36556 4.87449      0.620615  4.87449      0.620615  50.2645     90          15.074      90          
1 1 1 0  21 21 o 90.2591 2.54908 15.0966      1.1883    15.0966      1.1883    82.8206     270         14.7625     270         
1 1 1 0  21 22 o 84.9228 2.16813 13.3352      0.951596  13.3352      0.951596  50.1258     90          41.3059     270         
1 1 1 0  21 23 o 56.0453 2.49201 5.86654      0.717327  5.86654      0.717327  43.1542     90          6.83681     270         
1 1 1 0  21 24 o 14.4019 4.87263 0.573824     0.417839  0.573824     0.417839  11.8925     270         43.6264     270         
1 1 1 0  21 25 o 10.4506 4.33466 0.246398     0.395187  0.246398     0.395187  11.6373     270         33.682      270         
1 1 1 0  21 26 o 48.0002 2.9712  4.37573      0.725676  4.37573      0.725676  34.7662     90          9.47456     270         
1 1 1 0  21 27 o 91.9135 2.26367 15.6739      1.07554   15.6739      1.07554   75.0272     90          0.706436    270         
1 1 1 0  21 28 o 23.5694 4.18371 1.21493      0.442106  1.21493      0.442106  16.2273     270         9.53054     270         
1 1 1 0  21 29 o 9.05178 3.99384 0.105903     0.381968  0.105903     0.381968  3.28023     90          11.8006     90          
1 1 1 0  21 30 o 5.63167 2.82275 -0.436449    0.344149  -0.436449    0.344149  2.1601      270         5.07553     270         
1 1 1 0  21 31 o 44.9767 2.6571  3.84031      0.60917   3.84031      0.60917   51.1262     270         29.6038     270         
1 1 1 0  21 32 o 6.82785 3.27682 -0.169377    0.348503  -0.169377    0.348503  9.60515     270         24.4759     270         
1 1 1 0  21 33 o 7.94565 3.7773  -0.153992    0.442241  -0.153992    0.442241  5.04739     90          14.9981     90          
1 1 1 0  21 34 o 35.0437 3.47269 2.44691      0.595313  2.44691      0.595313  33.7162     270         11.5761     270         
1 1 1 0  21 35 o 16.1451 5.01629 0.725294     0.438918  0.725294     0.438918  3.86694     270         0.156426    270         
1 1 1 0  21 36 f 23.6826 4.96291 1.32662      0.529885  1.32662      0.529885  7.31242     90          0           0           
1 1 1 0  21 37 o 50.0951 2.73508 4.80165      0.700228  4.80165      0.700228  39.8566     270         0.932449    270         
1 1 1 0  21 38 o 7.63507 3.60737 -0.0977353   0.392286  -0.0977353   0.392286  8.76257     90          25.9874     90          
1 1 1 0  21 39 f 16.3048 5.1599  0.768885     0.46423   0.768885     0.46423   14.0374     270         0           0           
1 1 1 0  21 40 f 10.0681 4.3989  0.20174      0.452208  0.20174      0.452208  14.068      270         0           0           
1 1 1 0  21 41 o 25.0619 4.92522 1.4992       0.553467  1.4992       0.553467  9.10655     270         20.3957     90          
1 1 1 0  21 42 f 6.58478 3.23762 -0.295619    0.391528  -0.295619    0.391528  7.92419     270         0           0           
1 1 1 0  21 43 o 17.07   5.49936 0.897088     0.527731  0.897088     0.527731  6.13204     270         12.5044     90          
1 1 1 0  21 44 o 5.99721 3.02272 -0.525735    0.414956  -0.525735    0.414956  1.56874     270         4.04201     270         
1 1 1 0  21 45 o 8.00713 3.82788 -0.120605    0.466443  -0.120605    0.466443  2.51181     270         9.17908     270         
1 1 1 0  21 46 o 8.87392 4.13514 0.0240973    0.486841  0.0240973    0.486841  1.20125     270         4.99024     270         
1 1 1 0  21 47 o 10.6173 4.85184 0.197186     0.624729  0.197186     0.624729  1.0747      270         7.27062     270         
1 1 1 0  21 48 o 12.2846 5.15903 0.488273     0.572208  0.488273     0.572208  0.751154    90          3.2337      270         
1 1 1 0  21 49 o 5.8798  2.99365 -0.676596    0.451904  -0.676596    0.451904  2.56245     270         6.3804      270         
1 1 1 0  21 50 f 14.9434 5.55779 0.799651     0.570548  0.799651     0.570548  8.90931     270         0           0           
1 1 1 0  22 0  o 276.013 3.17221 140.07       4.5359    140.07       4.5359    257.606     180         45.4876     180         
1 1 1 0  22 1  o 57.4967 2.27538 6.13036      0.67326   6.13036      0.67326   61.237      180         28.1168     180         
1 1 1 0  22 2  o 111.022 2.09928 22.6862      1.20617   22.6862      1.20617   86.003      2.16204e-06 16.8832     180         
1 1 1 0  22 3  o 7.3327  3.34156 -0.000346068 0.293625  -0.000346068 0.293625  7.27995     180         15.365      180         
1 1 1 0  22 4  o 86.8293 2.26963 13.9094      1.01836   13.9094      1.01836   90.2479     360         32.8867     360         
1 1 1 0  22 5  o 74.3067 2.53373 10.2229      0.970735  10.2229      0.970735  35.102      2.18159e-06 56.0449     180         
1 1 1 0  22 6  o 15.7295 4.54526 0.638159     0.364737  0.638159     0.364737  11.2918     180         33.6434     180         
1 1 1 0  22 7  o 96.6979 2.08856 17.2258      1.04467   17.2258      1.04467   125.983     360         87.9446     360         
1 1 1 0  22 8  o 120.513 2.06213 26.7289      1.28649   26.7289      1.28649   106.449     1.12247e-06 8.66888     1.12246e-06 
1 1 1 0  22 9  o 111.373 2.0514  22.8366      1.18248   22.8366      1.18248   112.394     360         36.2573     360         
1 1 1 0  22 10 o 28.0668 3.00666 1.54686      0.407744  1.54686      0.407744  0.301354    180.001     0.0524845   180.001     
1 1 1 0  22 11 o 8.75247 3.65794 0.159437     0.28516   0.159437     0.28516   30.4246     8.65169e-06 68.2839     8.65169e-06 
1 1 1 0  22 12 o 174.178 2.09189 55.8175      1.88747   55.8175      1.88747   176.362     180         59.0999     180         
1 1 1 0  22 13 o 126.217 2.19347 29.3529      1.43313   29.3529      1.43313   93.2275     2.63994e-06 25.969      180         
1 1 1 0  22 14 f 22.0421 4.1434  1.06779      0.409015  1.06779      0.409015  25.353      360         0           0           
1 1 1 0  22 15 o 7.42553 3.46768 -0.0735436   0.345274  -0.0735436   0.345274  2.07239     8.64755e-06 4.55306     8.64755e-06 
1 1 1 0  22 16 o 6.98472 3.27122 -0.0755006   0.310827  -0.0755006   0.310827  10.3356     180         22.4567     180         
1 1 1 0  22 17 f 199.077 2.28979 73.0555      2.3615    73.0555      2.3615    130.022     1.79136e-06 0           0           
1 1 1 0  22 18 o 9.33855 4.01925 0.149695     0.364772  0.149695     0.364772  25.1597     8.65128e-06 59.1398     8.65128e-06 
1 1 1 0  22 19 o 45.8469 2.68699 3.96116      0.62812   3.96116      0.62812   43.5008     360         11.0003     360         
1 1 1 0  22 20 o 119.854 2.09261 26.5157      1.29829   26.5157      1.29829   109.78      180         20.8871     180         
1 1 1 0  22 21 o 38.146  2.65482 2.76723      0.512446  2.76723      0.512446  42.8935     1.15449e-05 26.5852     1.15449e-05 
1 1 1 0  22 22 o 49.9391 2.36062 4.66755      0.604717  4.66755      0.604717  22.0536     180         38.2171     8.65139e-06 
1 1 1 0  22 23 f 36.4454 2.73916 2.54271      0.50278   2.54271      0.50278   43.0928     180         0           0           
1 1 1 0  22 24 o 70.6202 2.28158 9.27636      0.831227  9.27636      0.831227  55.7584     180         4.19764     8.65131e-06 
1 1 1 0  22 25 o 13.2893 4.70678 0.494366     0.39677   0.494366     0.39677   0.861169    180         5.11285     360         
1 1 1 0  22 26 o 14.6263 5.09069 0.602924     0.460495  0.602924     0.460495  4.05735     180         30.6389     180         
1 1 1 0  22 27 o 8.14301 3.69758 0.0228712    0.355421  0.0228712    0.355421  3.55504     180         10.8417     180         
1 1 1 0  22 28 o 10.1161 4.25129 0.22286      0.389058  0.22286      0.389058  7.38544     8.65136e-06 26.9852     8.65136e-06 
1 1 1 0  22 29 o 35.9232 3.51861 2.55691      0.619373  2.55691      0.619373  29.6832     180         1.52603     180         
1 1 1 0  22 30 o 26.0424 3.93666 1.43682      0.466799  1.43682      0.466799  22.3295     180         3.46349     180         
1 1 1 0  22 31 f 60.0293 2.44826 6.77091      0.755971  6.77091      0.755971  32.3805     180         0           0           
1 1 1 0  22 32 o 95.9619 2.2807  17.1787      1.13157   17.1787      1.13157   84.9051     180         17.1384     180         
1 1 1 0  22 33 o 34.2025 3.67969 2.36274      0.607665  2.36274      0.607665  28.5741     4.8016e-06  2.97432     4.80161e-06 
1 1 1 0  22 34 o 9.02172 4.1957  -0.0411298   0.497387  -0.0411298   0.497387  0.0555238   8.64819e-06 0.257432    8.64819e-06 
1 1 1 0  22 35 o 5.37162 2.73798 -0.661737    0.382912  -0.661737    0.382912  1.01877     180         2.45214     180         
1 1 1 0  22 36 o 7.10779 3.42985 -0.201185    0.392874  -0.201185    0.392874  3.20174     180         9.79852     180         
1 1 1 0  22 37 o 39.2956 3.07244 3.04058      0.606318  3.04058      0.606318  35.9938     2.93406e-06 10.8727     2.93406e-06 
1 1 1 0  22 38 o 14.8678 5.08966 0.665143     0.457511  0.665143     0.457511  5.15088     180         1.09444     180         
1 1 1 0  22 39 o 29.1749 4.09647 1.83985      0.55036   1.83985      0.55036   26.1624     360         7.43815     360         
1 1 1 0  22 40 o 8.96012 4.06673 0.0811361    0.429295  0.0811361    0.429295  2.02967     8.64979e-06 10.1581     8.64979e-06 
1 1 1 0  22 41 o 8.20238 3.82917 -0.0216874   0.420449  -0.0216874   0.420449  1.91802     360         6.97073     360         
1 1 1 0  22 42 o 26.5453 4.81182 1.66992      0.572263  1.66992      0.572263  26.373      180         13.7845     180         
1 1 1 0  22 43 o 8.42579 3.95394 -0.0265412   0.457807  -0.0265412   0.457807  0.525479    180         2.36888     180         
1 1 1 0  22 44 o 12.2982 4.98215 0.483948     0.503135  0.483948     0.503135  1.60216     180         4.52586     8.79801e-06 
1 1 1 0  22 45 o 8.638   4.04539 -0.00109311  0.475297  -0.00109311  0.475297  1.09397     360         3.88336     360         
1 1 1 0  22 46 o 28.5825 5.57773 2.08472      0.714611  2.08472      0.714611  27.0176     180         13.1221     180         
1 1 1 0  22 47 o 6.06284 3.08422 -0.697035    0.475089  -0.697035    0.475089  0.0274699   180         0.0686577   180         
1 1 1 0  22 48 o 8.41423 4.06869 -0.163111    0.559128  -0.163111    0.559128  1.61285     180         6.49622     180         
1 1 1 0  22 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  23 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  23 1  o 54.3881 2.28213 5.49789      0.638156  5.49789      0.638156  64.867      270         39.9816     270         
1 1 1 0  23 2  o 107.147 2.1079  21.1551      1.16869   21.1551      1.16869   101.746     90          23.3004     90          
1 1 1 0  23 3  o 22.3937 4.19566 1.10049      0.420776  1.10049      0.420776  3.70385     270         6.53339     89.9999     
1 1 1 0  23 4  o 133.651 2.43474 32.9434      1.68424   32.9434      1.68424   129.044     270         33.502      270         
1 1 1 0  23 5  o 85.1314 2.49937 13.4123      1.09861   13.4123      1.09861   79.1919     270         15.4142     270         
1 1 1 0  23 6  f 55.7424 2.2437  5.77139      0.643465  5.77139      0.643465  25.189      270         0           0           
1 1 1 0  23 7  o 133.328 2.06218 32.7343      1.42367   32.7343      1.42367   113.403     270         3.24757     270         
1 1 1 0  23 8  o 140.522 2.42172 36.4263      1.76164   36.4263      1.76164   125.956     90          16.5234     90          
1 1 1 0  23 9  o 47.1993 2.82065 4.1961       0.678334  4.1961       0.678334  44.2405     270         9.97836     270         
1 1 1 0  23 10 o 69.0495 2.1501  8.82375      0.766167  8.82375      0.766167  85.7434     90          56.2305     90          
1 1 1 0  23 11 o 85.0519 2.24286 13.3736      0.985693  13.3736      0.985693  58.3146     270         25.3078     90          
1 1 1 0  23 12 o 9.45127 4.01616 0.170556     0.354675  0.170556     0.354675  32.1978     270         74.4918     270         
1 1 1 0  23 13 o 64.6715 2.71096 7.80184      0.901418  7.80184      0.901418  56.3685     90          5.15188     90          
1 1 1 0  23 14 o 30.4681 3.01427 1.81325      0.449368  1.81325      0.449368  3.52059     270         1.99914     270         
1 1 1 0  23 15 o 16.41   4.57068 0.689764     0.373223  0.689764     0.373223  0.67783     270         12.9753     270         
1 1 1 0  23 16 o 72.4297 2.0986  9.71465      0.784897  9.71465      0.784897  71.7471     270         23.6901     270         
1 1 1 0  23 17 o 54.4341 2.26055 5.5223       0.632766  5.5223       0.632766  40.7269     270         8.38905     90          
1 1 1 0  23 18 o 87.737  2.10835 14.2441      0.956347  14.2441      0.956347  93.6039     270         42.732      270         
1 1 1 0  23 19 o 6.95122 3.21408 -0.0308972   0.285615  -0.0308972   0.285615  6.02421     90          14.1383     90          
1 1 1 0  23 20 o 42.0683 2.53817 3.34611      0.543849  3.34611      0.543849  40.5269     270         12.1509     270         
1 1 1 0  23 21 o 4.80667 2.42448 -0.39038     0.268857  -0.39038     0.268857  22.8812     90          49.4433     90          
1 1 1 0  23 22 o 53.9768 2.37012 5.45213      0.657218  5.45213      0.657218  48.9915     90          10.0304     90          
1 1 1 0  23 23 o 32.0565 3.05626 2.01194      0.481895  2.01194      0.481895  26.6408     270         1.23632     270         
1 1 1 0  23 24 o 91.9977 2.19087 15.704       1.04209   15.704       1.04209   79.169      90          9.33669     90          
1 1 1 0  23 25 o 71.8061 2.4615  9.63183      0.911273  9.63183      0.911273  56.6122     90          2.69987     270         
1 1 1 0  23 26 o 49.3298 2.96843 4.63947      0.745903  4.63947      0.745903  41.169      90          2.96641     90          
1 1 1 0  23 27 o 32.3879 3.33928 2.08629      0.525853  2.08629      0.525853  27.2047     90          2.50754     90          
1 1 1 0  23 28 o 4.63446 2.3727  -0.58989     0.303491  -0.58989     0.303491  4.30437     270         9.55886     270         
1 1 1 0  23 29 o 54.6595 2.64921 5.65285      0.742375  5.65285      0.742375  52.9408     270         18.8838     270         
1 1 1 0  23 30 o 6.66278 3.2133  -0.186488    0.343795  -0.186488    0.343795  4.69871     90          12.114      90          
1 1 1 0  23 31 o 22.3438 4.5774  1.16086      0.459962  1.16086      0.459962  16.1868     270         1.98072     90          
1 1 1 0  23 32 o 10.7847 4.4056  0.29797      0.398336  0.29797      0.398336  0.0911603   89.9999     3.95384     270         
1 1 1 0  23 33 o 4.30654 2.24005 -0.979008    0.347906  -0.979008    0.347906  0.817144    90.0001     1.82707     90.0001     
1 1 1 0  23 34 o 14.8229 5.88392 0.662549     0.682718  0.662549     0.682718  3.33839     270         29.3549     270         
1 1 1 0  23 35 o 32.8154 4.21895 2.28237      0.647408  2.28237      0.647408  29.5074     270         8.09349     270         
1 1 1 0  23 36 o 12.7246 4.87097 0.4856       0.449396  0.4856       0.449396  4.14889     270         5.75511     90          
1 1 1 0  23 37 o 22.2285 4.96452 1.22862      0.502724  1.22862      0.502724  21.0806     90          11.57       90          
1 1 1 0  23 38 o 7.82484 3.70298 -0.0889543   0.416306  -0.0889543   0.416306  4.95255     270         16.2536     270         
1 1 1 0  23 39 o 37.2796 3.44343 2.84173      0.634024  2.84173      0.634024  26.5483     270         3.64294     90          
1 1 1 0  23 40 o 9.51769 4.24816 0.15592      0.445749  0.15592      0.445749  0.109192    89.9999     0.902103    89.9999     
1 1 1 0  23 41 o 22.3507 5.27622 1.31819      0.544694  1.31819      0.544694  19.4446     270         7.58561     270         
1 1 1 0  23 42 o 12.0804 4.91013 0.458598     0.491063  0.458598     0.491063  1.59343     270         6.50628     90          
1 1 1 0  23 43 o 10.5115 4.53819 0.288425     0.468228  0.288425     0.468228  1.98435     90          12.6251     90          
1 1 1 0  23 44 o 30.1447 4.49209 2.08107      0.617824  2.08107      0.617824  29.0546     270         14.335      270         
1 1 1 0  23 45 o 8.01879 3.89241 -0.209233    0.522878  -0.209233    0.522878  2.16257     90          6.8619      90          
1 1 1 0  23 46 o 8.76857 4.13162 -0.00428087  0.508536  -0.00428087  0.508536  0.0978556   90.0001     0.437639    90.0001     
1 1 1 0  23 47 o 16.3694 5.76348 0.943797     0.593234  0.943797     0.593234  4.05453     90          1.29684     90          
1 1 1 0  24 0  o 55.707  4.8993  6.00773      1.35578   6.00773      1.35578   51.6303     180         13.4754     180         
1 1 1 0  24 1  o 52.6978 2.99781 5.23133      0.806319  5.23133      0.806319  62.7194     3.24582e-06 39.1339     3.24582e-06 
1 1 1 0  24 2  o 186.033 2.13026 63.761       2.05303   63.761       2.05303   213.14      180         117.198     180         
1 1 1 0  24 3  o 134.041 2.73025 33.2548      1.89344   33.2548      1.89344   114.104     2.25746e-06 5.58012     2.25746e-06 
1 1 1 0  24 4  o 8.57664 3.86782 0.0374592    0.380727  0.0374592    0.380727  13.8201     180         31.9917     180         
1 1 1 0  24 5  o 8.98472 3.80597 0.157367     0.316562  0.157367     0.316562  10.1763     180         24.135      180         
1 1 1 0  24 6  o 37.6176 2.70176 2.6918       0.513356  2.6918       0.513356  37.6421     180         17.689      180         
1 1 1 0  24 7  o 20.9786 3.79954 0.958536     0.357121  0.958536     0.357121  1.92655     180         1.38548     360         
1 1 1 0  24 8  o 88.0956 2.0917  14.3414      0.952735  14.3414      0.952735  90.2639     180         34.7389     180         
1 1 1 0  24 9  o 71.4939 2.15039 9.46898      0.793637  9.46898      0.793637  40.4289     180         37.3247     8.6515e-06  
1 1 1 0  24 10 o 35.3466 2.60157 2.38126      0.463771  2.38126      0.463771  18.741      0           13.9514     0           
1 1 1 0  24 11 o 50.2213 2.38533 4.71759      0.614437  4.71759      0.614437  48.2806     180         13.7765     180         
1 1 1 0  24 12 o 90.0646 2.32407 15.0318      1.08173   15.0318      1.08173   84.9012     180         21.5373     180         
1 1 1 0  24 13 o 8.73339 3.6978  0.151002     0.298557  0.151002     0.298557  14.1777     360         35.7766     360         
1 1 1 0  24 14 o 64.7118 2.19091 7.78112      0.731062  7.78112      0.731062  73.5434     180         40.9217     180         
1 1 1 0  24 15 o 24.2149 3.4651  1.21319      0.385203  1.21319      0.385203  5.55646     180         28.2414     8.65183e-06 
1 1 1 0  24 16 o 44.6008 2.35933 3.73865      0.538276  3.73865      0.538276  27.351      0           18.1813     180         
1 1 1 0  24 17 o 33.2938 2.78758 2.14016      0.46336   2.14016      0.46336   37.6762     180         26.9655     180         
1 1 1 0  24 18 o 51.7654 2.32672 5.01506      0.618473  5.01506      0.618473  38.9569     0           6.29981     180         
1 1 1 0  24 19 o 36.4676 2.68098 2.54461      0.49312   2.54461      0.49312   16.29       180         26.6023     8.65116e-06 
1 1 1 0  24 20 o 79.4947 2.14556 11.7295      0.881187  11.7295      0.881187  84.2987     360         39.9181     360         
1 1 1 0  24 21 o 10.9198 4.24644 0.318224     0.347128  0.318224     0.347128  1.62216     180         12.0576     180         
1 1 1 0  24 22 o 62.5168 2.28761 7.29729      0.73677   7.29729      0.73677   57.0331     180         13.4267     180         
1 1 1 0  24 23 o 51.0466 2.50413 4.90912      0.655154  4.90912      0.655154  41.2822     180         0.632507    180         
1 1 1 0  24 24 o 13.5614 4.62748 0.518611     0.377801  0.518611     0.377801  2.54319     180         5.16826     8.65125e-06 
1 1 1 0  24 25 o 26.2062 3.98444 1.45807      0.475057  1.45807      0.475057  26.4945     5.09199e-06 15.8004     5.09199e-06 
1 1 1 0  24 26 o 9.24407 4.05571 0.130354     0.388318  0.130354     0.388318  1.70809     180         7.04476     180         
1 1 1 0  24 27 o 24.8    5.7843  1.5251       0.660328  1.5251       0.660328  15.9946     7.41189e-07 6.9773      180         
1 1 1 0  24 28 o 36.9593 3.50396 2.71681      0.637468  2.71681      0.637468  26.0635     360         6.207       180         
1 1 1 0  24 29 o 25.7027 4.15834 1.43435      0.482593  1.43435      0.482593  21.6131     8.20308e-08 3.21283     8.20308e-08 
1 1 1 0  24 30 o 13.5886 4.78793 0.537096     0.409544  0.537096     0.409544  2.51579     180         12.7421     8.65137e-06 
1 1 1 0  24 31 o 22.5743 4.7341  1.20853      0.481843  1.20853      0.481843  18.522      7.14071e-06 12.3298     7.14071e-06 
1 1 1 0  24 32 o 14.2373 4.94066 0.598543     0.433241  0.598543     0.433241  5.25906     1.80815e-06 8.15829     180         
1 1 1 0  24 33 o 8.78825 3.9761  0.0691005    0.406335  0.0691005    0.406335  1.8276      180         10.1908     180         
1 1 1 0  24 34 o 6.2706  3.15419 -0.558369    0.443496  -0.558369    0.443496  0.0917563   180         0.265923    180         
1 1 1 0  24 35 o 7.96051 3.8752  -0.294488    0.526965  -0.294488    0.526965  1.54058     360         6.25354     360         
1 1 1 0  24 36 o 62.6685 2.66657 7.55986      0.858974  7.55986      0.858974  60.1943     180         24.7522     180         
1 1 1 0  24 37 o 11.2318 4.6397  0.355774     0.449688  0.355774     0.449688  0.149838    180         0.915795    360         
1 1 1 0  24 38 f 18.1343 5.41235 0.970992     0.513382  0.970992     0.513382  9.38517     180         0           0           
1 1 1 0  24 39 o 15.0162 5.31853 0.72865      0.506616  0.72865      0.506616  5.22303     2.53869e-06 9.3604      180         
1 1 1 0  24 40 o 17.2016 5.50668 0.928038     0.528921  0.928038     0.528921  8.99838     0           1.81774     0           
1 1 1 0  24 41 o 12.0376 4.95497 0.453948     0.509926  0.453948     0.509926  3.30256     180         21.6654     180         
1 1 1 0  24 42 o 29.996  4.487   2.0597       0.613741  2.0597       0.613741  29.022      0           14.7337     0           
1 1 1 0  24 43 o 12.3137 5.06899 0.492939     0.533725  0.492939     0.533725  0.546056    180         14.1877     180         
1 1 1 0  24 44 o 13.6739 5.41979 0.660855     0.57818   0.660855     0.57818   0.792948    180         0.547292    8.68538e-06 
1 1 1 0  24 45 o 12.4631 5.26971 0.520691     0.604714  0.520691     0.604714  1.0175      2.95615e-06 1.25312     180         
1 1 1 0  24 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  25 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  25 1  o 120.342 2.1511  26.7611      1.33993   26.7611      1.33993   124.658     90          51.8488     90          
1 1 1 0  25 2  o 9.37756 3.9264  0.187177     0.329636  0.187177     0.329636  0.697556    270         1.93057     270         
1 1 1 0  25 3  o 112.548 2.70491 23.532       1.57392   23.532       1.57392   104.001     90          23.4206     90          
1 1 1 0  25 4  o 11.7873 4.39199 0.380021     0.356806  0.380021     0.356806  8.10282     270         28.1315     270         
1 1 1 0  25 5  o 39.875  2.74514 3.02628      0.554222  3.02628      0.554222  39.879      90          14.6388     90          
1 1 1 0  25 6  o 81.4546 2.30914 12.3131      0.971413  12.3131      0.971413  83.3098     90          33.27       90          
1 1 1 0  25 7  o 53.6578 2.33968 5.37934      0.645027  5.37934      0.645027  41.611      270         4.5463      90          
1 1 1 0  25 8  o 93.9289 2.28661 16.3565      1.11033   16.3565      1.11033   77.0993     90          0.710419    90          
1 1 1 0  25 9  o 57.147  2.57506 6.1196       0.75561   6.1196       0.75561   55.5793     270         17.8798     270         
1 1 1 0  25 10 f 4.19661 2.1307  -0.36837     0.221937  -0.36837     0.221937  20.8987     90          0           0           
1 1 1 0  25 11 o 24.331  3.69951 1.24283      0.40952   1.24283      0.40952   9.99088     90          6.1306      90          
1 1 1 0  25 12 o 26.6052 3.24146 1.42628      0.407256  1.42628      0.407256  17.9273     90          7.05058     270         
1 1 1 0  25 13 o 20.8677 3.86197 0.959922     0.36093   0.959922     0.36093   14.8909     270         0.379906    270         
1 1 1 0  25 14 o 41.7162 2.39871 3.28324      0.51055   3.28324      0.51055   37.1967     270         6.81517     270         
1 1 1 0  25 15 o 10.1781 3.93774 0.275307     0.29686   0.275307     0.29686   9.1259      90          31.3371     90          
1 1 1 0  25 16 o 11.0075 4.10255 0.332922     0.311395  0.332922     0.311395  0.38943     270         5.26995     270         
1 1 1 0  25 17 o 28.722  3.04546 1.63453      0.42337   1.63453      0.42337   31.4257     90          20.8611     90          
1 1 1 0  25 18 o 10.6531 4.11311 0.30531      0.323201  0.30531      0.323201  14.056      270         43.7365     270         
1 1 1 0  25 19 o 46.2964 2.38937 4.03834      0.566237  4.03834      0.566237  37.6734     270         1.15805     270         
1 1 1 0  25 20 o 49.3082 2.44126 4.58132      0.616817  4.58132      0.616817  32.305      90          14.2026     270         
1 1 1 0  25 21 f 33.1633 2.89329 2.14358      0.477062  2.14358      0.477062  37.0868     90          0           0           
1 1 1 0  25 22 o 7.9498  3.57584 0.0475563    0.322907  0.0475563    0.322907  5.83694     89.9999     17.1348     89.9999     
1 1 1 0  25 23 o 28.3876 3.43244 1.6388       0.460785  1.6388       0.460785  21.9305     90          1.02995     270         
1 1 1 0  25 24 o 78.5834 2.2706  11.5365      0.921397  11.5365      0.921397  70.5661     270         16.9728     270         
1 1 1 0  25 25 o 15.8787 4.7902  0.688743     0.401433  0.688743     0.401433  6.46089     89.9999     1.58707     270         
1 1 1 0  25 26 o 31.6299 3.92902 2.06714      0.584791  2.06714      0.584791  22.5654     90          4.50936     270         
1 1 1 0  25 27 o 5.44708 2.75158 -0.507534    0.351312  -0.507534    0.351312  14.8698     270         34.7183     270         
1 1 1 0  25 28 o 26.2931 4.07592 1.49357      0.486324  1.49357      0.486324  22.3035     90          17.5077     90          
1 1 1 0  25 29 o 67.3695 2.451   8.5779       0.85073   8.5779       0.85073   57.2264     90          9.85049     90          
1 1 1 0  25 30 o 5.11797 2.59132 -0.479473    0.31889   -0.479473    0.31889   0.933038    270         2.26003     270         
1 1 1 0  25 31 o 9.53902 4.16858 0.170923     0.40629   0.170923     0.40629   2.84752     270         16.5882     270         
1 1 1 0  25 32 f 18.4698 5.27265 0.951869     0.492549  0.951869     0.492549  8.53598     90          0           0           
1 1 1 0  25 33 o 15.6003 5.39075 0.752544     0.514934  0.752544     0.514934  7.25841     90          6.34194     270         
1 1 1 0  25 34 o 22.8844 5.54387 1.38259      0.590785  1.38259      0.590785  20.0977     270         11.4203     270         
1 1 1 0  25 35 o 14.4095 5.65978 0.680687     0.623651  0.680687     0.623651  2.19125     270         0.649547    90.0001     
1 1 1 0  25 36 o 6.78914 3.3711  -0.408621    0.455044  -0.408621    0.455044  1.40914     270         3.9811      270         
1 1 1 0  25 37 o 22.5491 5.29116 1.33826      0.550133  1.33826      0.550133  12.8429     90          7.94026     270         
1 1 1 0  25 38 o 9.41802 4.26983 0.12696      0.4716    0.12696      0.4716    9.49461     270         30.962      270         
1 1 1 0  25 39 o 8.10692 3.84125 -0.0685917   0.450483  -0.0685917   0.450483  0.123448    270         0.40345     270         
1 1 1 0  25 40 o 6.87092 3.40887 -0.385578    0.462418  -0.385578    0.462418  7.88894     270         19.9733     270         
1 1 1 0  25 41 o 25.761  5.16215 1.6738       0.596965  1.6738       0.596965  16.2465     90          5.15697     270         
1 1 1 0  25 42 o 9.41792 4.31329 0.121276     0.497412  0.121276     0.497412  2.82163     270         12.6378     270         
1 1 1 0  25 43 o 6.31722 3.19131 -0.584199    0.472848  -0.584199    0.472848  0.100185    89.9997     0.268055    89.9997     
1 1 1 0  25 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  26 0  o 96.6258 3.10272 17.3551      1.54673   17.3551      1.54673   90.1651     180         23.8429     180         
1 1 1 0  26 1  o 6.47334 3.0927  -0.136909    0.303548  -0.136909    0.303548  0.71219     180         1.73654     180         
1 1 1 0  26 2  o 69.9116 2.71779 9.14954      0.978057  9.14954      0.978057  58.0762     360         2.95918     360         
1 1 1 0  26 3  o 45.5119 2.66761 3.9184       0.619031  3.9184       0.619031  36.124      180         1.41565     8.65137e-06 
1 1 1 0  26 4  o 109.913 2.1618  22.3688      1.22951   22.3688      1.22951   112.54      360         47.2627     360         
1 1 1 0  26 5  o 29.2456 2.95193 1.68149      0.421147  1.68149      0.421147  24.7247     7.67431e-07 2.33236     7.67431e-07 
1 1 1 0  26 6  o 5.87129 2.8075  -0.117324    0.251208  -0.117324    0.251208  10.9269     8.65134e-06 25.6618     8.65134e-06 
1 1 1 0  26 7  o 90.6421 2.15592 15.2323      1.01036   15.2323      1.01036   80.3405     360         14.3569     360         
1 1 1 0  26 8  o 69.6576 2.2045  9.02325      0.792353  9.02325      0.792353  58.1135     360         3.88934     360         
1 1 1 0  26 9  o 22.9644 3.5348  1.11005      0.368703  1.11005      0.368703  20.151      180         6.98266     180         
1 1 1 0  26 10 o 25.0613 3.7477  1.31753      0.428305  1.31753      0.428305  20.9413     180         2.42899     180         
1 1 1 0  26 11 o 28.4753 3.0861  1.61103      0.423772  1.61103      0.423772  25.5118     180         5.59156     180         
1 1 1 0  26 12 o 46.6482 2.35627 4.09265      0.562949  4.09265      0.562949  41.1935     360         7.55161     360         
1 1 1 0  26 13 o 7.75036 3.40998 0.0794224    0.276453  0.0794224    0.276453  1.14232     4.96401e-05 3.33932     4.96401e-05 
1 1 1 0  26 14 f 24.2961 3.65823 1.24225      0.404919  1.24225      0.404919  17.3336     0           0           0           
1 1 1 0  26 15 o 5.61496 2.7252  -0.169167    0.25611   -0.169167    0.25611   5.71764     180         13.3956     180         
1 1 1 0  26 16 o 38.1478 2.62759 2.7839       0.507497  2.7839       0.507497  39.8731     180         19.0277     180         
1 1 1 0  26 17 o 24.1917 3.82716 1.24959      0.419098  1.24959      0.419098  21.7154     180         7.01085     180         
1 1 1 0  26 18 o 10.7369 4.16677 0.312221     0.333486  0.312221     0.333486  0.15227     180         2.08181     180         
1 1 1 0  26 19 o 39.132  2.80736 2.94769      0.554931  2.94769      0.554931  31.6464     180         1.40549     180         
1 1 1 0  26 20 o 24.9783 3.95989 1.33933      0.447622  1.33933      0.447622  19.2522     180         0.411968    8.65147e-06 
1 1 1 0  26 21 o 21.85   4.48202 1.10695      0.440479  1.10695      0.440479  13.5757     180         6.49559     360         
1 1 1 0  26 22 o 22.7943 4.45832 1.18821      0.455566  1.18821      0.455566  8.431       180         18.8096     360         
1 1 1 0  26 23 o 12.1189 4.5839  0.418227     0.393588  0.418227     0.393588  0.0197229   180         14.0809     360         
1 1 1 0  26 24 o 106.576 2.37331 21.2804      1.30818   21.2804      1.30818   100.183     180         34.1816     180         
1 1 1 0  26 25 o 4.58846 2.35437 -0.620093    0.307649  -0.620093    0.307649  5.4053      180         12.3151     180         
1 1 1 0  26 26 o 25.766  5.13851 1.56761      0.594154  1.56761      0.594154  4.75945     180         30.3938     8.65112e-06 
1 1 1 0  26 27 o 6.60698 3.22786 -0.260081    0.373614  -0.260081    0.373614  3.74309     8.66014e-06 10.7551     8.66014e-06 
1 1 1 0  26 28 o 4.66444 2.39491 -0.649315    0.321155  -0.649315    0.321155  2.99109     8.64921e-06 7.01531     8.64921e-06 
1 1 1 0  26 29 o 18.566  5.27057 0.957289     0.493024  0.957289     0.493024  9.20888     360         5.38901     360         
1 1 1 0  26 30 o 25.484  4.66372 1.5048       0.53236   1.5048       0.53236   24.9716     360         11.9061     360         
1 1 1 0  26 31 o 10.5818 4.48575 0.280782     0.440364  0.280782     0.440364  0.215104    6.25863e-06 2.86999     180         
1 1 1 0  26 32 f 17.5024 5.55366 0.928983     0.537808  0.928983     0.537808  23.1951     180         0           0           
1 1 1 0  26 33 o 9.83985 4.29478 0.208        0.429996  0.208        0.429996  0.230864    180         2.50393     180         
1 1 1 0  26 34 o 8.77713 3.99969 0.0758716    0.420639  0.0758716    0.420639  1.68038     180         7.71563     180         
1 1 1 0  26 35 o 15.9188 5.58745 0.832014     0.556759  0.832014     0.556759  4.78701     180         0.983109    180         
1 1 1 0  26 36 o 24.6444 6.26667 1.74736      0.732591  1.74736      0.732591  18.2921     180         0.50803     180         
1 1 1 0  26 37 o 9.47527 4.38618 0.0702032    0.534156  0.0702032    0.534156  6.33664     8.53464e-06 22.1565     8.53464e-06 
1 1 1 0  26 38 o 7.4471  3.62506 -0.229384    0.460971  -0.229384    0.460971  8.20588     8.62891e-06 21.8223     8.62891e-06 
1 1 1 0  26 39 o 9.87092 4.4334  0.18741      0.494204  0.18741      0.494204  0.169467    360         1.00867     360         
1 1 1 0  26 40 o 9.49321 4.32386 0.140026     0.490794  0.140026     0.490794  1.96201     180         9.80723     180         
1 1 1 0  26 41 o 11.2321 4.80662 0.377966     0.515371  0.377966     0.515371  0.683197    360         6.60946     180         
1 1 1 0  26 42 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  27 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  27 1  o 8.09356 3.6832  0.018265     0.355143  0.018265     0.355143  7.9468      90          22.8149     90          
1 1 1 0  27 2  o 67.1319 2.73811 8.47095      0.945506  8.47095      0.945506  43.5558     90          20.104      270         
1 1 1 0  27 3  o 55.39   2.3506  5.74859      0.669282  5.74859      0.669282  52.0636     90          15.6937     90          
1 1 1 0  27 4  o 9.63961 3.85864 0.23565      0.29682   0.23565      0.29682   2.9762      90          12.5198     90          
1 1 1 0  27 5  o 35.2604 2.72615 2.39408      0.483146  2.39408      0.483146  28.4891     270         0.747013    270         
1 1 1 0  27 6  o 29.4925 3.00015 1.71842      0.431121  1.71842      0.431121  22.6971     90          1.54493     270         
1 1 1 0  27 7  o 45.3897 2.47633 3.89396      0.574447  3.89396      0.574447  33.7883     90          4.70054     270         
1 1 1 0  27 8  o 22.8536 3.7073  1.1184       0.382449  1.1184       0.382449  19.5296     90          5.42653     90          
1 1 1 0  27 9  o 4.23714 2.14869 -0.358603    0.222834  -0.358603    0.222834  0.13486     269.999     0.29346     269.999     
1 1 1 0  27 10 o 38.0422 2.76899 2.78191      0.531636  2.78191      0.531636  40.1182     90          19.9026     90          
1 1 1 0  27 11 o 31.9672 2.84823 1.99428      0.451643  1.99428      0.451643  29.5878     90          24.5834     90          
1 1 1 0  27 12 o 2.75388 1.44295 -0.613965    0.171152  -0.613965    0.171152  1.72017     270         3.55892     270         
1 1 1 0  27 13 o 69.2262 2.18739 8.94263      0.781345  8.94263      0.781345  52.0569     90          5.25297     270         
1 1 1 0  27 14 o 55.0827 2.28256 5.69363      0.646562  5.69363      0.646562  56.357      270         25.8462     270         
1 1 1 0  27 15 o 9.79909 3.89827 0.250408     0.30051   0.250408     0.30051   3.97021     270         16.7327     270         
1 1 1 0  27 16 o 6.00146 2.86561 -0.111491    0.25988   -0.111491    0.25988   0.021078    269.99      0.0513953   269.99      
1 1 1 0  27 17 o 21.5876 3.94096 1.03595      0.381095  1.03595      0.381095  17.9192     270         7.5694      270         
1 1 1 0  27 18 o 23.2433 3.74361 1.16301      0.393079  1.16301      0.393079  10.6209     90          15.018      270         
1 1 1 0  27 19 o 9.1266  3.82764 0.187689     0.314201  0.187689     0.314201  0.66469     270         3.36113     270         
1 1 1 0  27 20 o 38.1237 2.67831 2.80384      0.516407  2.80384      0.516407  21.9641     90          15.3931     270         
1 1 1 0  27 21 o 12.0816 4.38365 0.420962     0.34885   0.420962     0.34885   1.61925     270         9.91785     90          
1 1 1 0  27 22 o 6.79063 3.20237 -0.0782484   0.306626  -0.0782484   0.306626  3.72619     270         10.7281     270         
1 1 1 0  27 23 o 51.1728 2.43434 4.97663      0.638918  4.97663      0.638918  44.0537     270         9.15421     270         
1 1 1 0  27 24 o 11.8801 4.57357 0.40944      0.398432  0.40944      0.398432  2.33591     270         3.70614     90          
1 1 1 0  27 25 f 17.5172 5.24985 0.871412     0.482669  0.871412     0.482669  5.04212     270         0           0           
1 1 1 0  27 26 o 20.9567 4.7314  1.08585      0.452758  1.08585      0.452758  18.8728     270         9.77761     270         
1 1 1 0  27 27 o 12.8933 4.66456 0.50079      0.394282  0.50079      0.394282  3.23193     90          2.45138     270         
1 1 1 0  27 28 o 19.0829 5.24199 1.00411      0.493546  1.00411      0.493546  9.63673     90          8.94566     270         
1 1 1 0  27 29 o 47.5447 3.18609 4.48904      0.768033  4.48904      0.768033  44.4867     90          17.1082     90          
1 1 1 0  27 30 o 8.68691 3.98308 0.0493053    0.425833  0.0493053    0.425833  0.815297    90          3.55172     90          
1 1 1 0  27 31 f 8.27401 3.86877 -0.0233154   0.431921  -0.0233154   0.431921  5.69557     90          0           0           
1 1 1 0  27 32 o 29.2083 4.47416 1.93132      0.593953  1.93132      0.593953  29.6622     90          16.2322     90          
1 1 1 0  27 33 o 6.87328 3.36372 -0.257943    0.410072  -0.257943    0.410072  6.15806     90          16.8548     90          
1 1 1 0  27 34 o 21.4274 5.3797  1.25903      0.543924  1.25903      0.543924  12.8987     90          5.00373     270         
1 1 1 0  27 35 o 13.5449 5.42456 0.621246     0.587     0.621246     0.587     0.290632    270         0.501348    89.9998     
1 1 1 0  27 36 o 10.9369 4.821   0.29508      0.555205  0.29508      0.555205  2.053       90          13.1546     90          
1 1 1 0  27 37 o 32.3224 5.05935 2.48322      0.741186  2.48322      0.741186  30.7648     270         14.6157     270         
1 1 1 0  27 38 o 11.3872 4.87853 0.38934      0.53217   0.38934      0.53217   0.302845    90          7.9381      270         
1 1 1 0  27 39 o 25.645  5.52136 1.7455       0.640765  1.7455       0.640765  19.2921     90          1.74158     90          
1 1 1 0  27 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  28 0  o 76.0035 3.93821 10.9644      1.53198   10.9644      1.53198   69.8815     180         20.0588     180         
1 1 1 0  28 1  o 34.0649 3.52563 2.31959      0.583592  2.31959      0.583592  34.9529     3.59305e-06 16.4111     3.59305e-06 
1 1 1 0  28 2  o 14.0548 4.82764 0.562687     0.412086  0.562687     0.412086  1.37478     360         1.22905     180         
1 1 1 0  28 3  o 39.0098 2.7159  2.92073      0.536097  2.92073      0.536097  45.2589     3.93381e-07 29.2795     3.93381e-07 
1 1 1 0  28 4  o 5.94236 2.85427 -0.134557    0.265562  -0.134557    0.265562  5.25499     8.65171e-06 12.6447     8.65171e-06 
1 1 1 0  28 5  o 7.47609 3.35035 0.0478446    0.280426  0.0478446    0.280426  1.57888     180         4.49289     180         
1 1 1 0  28 6  o 16.7402 4.30764 0.705175     0.343854  0.705175     0.343854  5.47734     180         0.595037    180         
1 1 1 0  28 7  o 45.9453 2.50291 4.0018       0.587746  4.0018       0.587746  33.8598     180         4.41053     360         
1 1 1 0  28 8  o 10.9684 4.12982 0.335198     0.318203  0.335198     0.318203  0.0393765   180         1.38773     180         
1 1 1 0  28 9  o 28.2906 3.27738 1.61746      0.4419    1.61746      0.4419    25.2574     4.88031e-07 6.48936     4.88031e-07 
1 1 1 0  28 10 o 14.2278 4.35457 0.551441     0.331141  0.551441     0.331141  2.61485     1.78046e-11 13.3186     180         
1 1 1 0  28 11 o 48.7869 2.38531 4.49558      0.596489  4.49558      0.596489  30.4072     180         15.415      360         
1 1 1 0  28 12 o 10.0184 3.94513 0.268227     0.303934  0.268227     0.303934  5.72592     8.65149e-06 23.2538     8.65149e-06 
1 1 1 0  28 13 o 51.1294 2.35501 4.93407      0.618     4.93407      0.618     52.7069     180         25.7762     180         
1 1 1 0  28 14 o ?       ?       -0.716399    0.126594  -0.716399    0.126594  2.99708     360         0           0           
1 1 1 0  28 15 o 13.4596 4.25019 0.502582     0.314964  0.502582     0.314964  1.7217      8.65145e-06 23.08       8.65145e-06 
1 1 1 0  28 16 o 8.56737 3.63528 0.155267     0.289757  0.155267     0.289757  2.29626     180         9.73617     180         
1 1 1 0  28 17 o 12.8141 4.27745 0.467027     0.320929  0.467027     0.320929  3.42899     180         6.57278     8.64426e-06 
1 1 1 0  28 18 o 6.37398 3.01595 -0.0823762   0.27598   -0.0823762   0.27598   7.47581     8.65065e-06 19.8566     8.65065e-06 
1 1 1 0  28 19 o 32.069  2.90773 2.03518      0.461604  2.03518      0.461604  34.4706     180         19.7285     180         
1 1 1 0  28 20 o 35.498  2.859   2.4743       0.508459  2.4743       0.508459  30.4313     6.84847e-10 6.40598     6.84847e-10 
1 1 1 0  28 21 o 9.30949 3.89728 0.207872     0.324671  0.207872     0.324671  0.219191    8.65658e-06 4.75622     8.65657e-06 
1 1 1 0  28 22 o 5.53941 2.72491 -0.230472    0.278209  -0.230472    0.278209  0.157174    180         0.40381     180         
1 1 1 0  28 23 o 11.2304 4.30502 0.368077     0.351513  0.368077     0.351513  1.31602     2.58761e-06 3.7285      180         
1 1 1 0  28 24 o 5.05125 2.56166 -0.485595    0.316894  -0.485595    0.316894  0.424234    180         1.00521     180         
1 1 1 0  28 25 o 7.59453 3.55764 -0.0455003   0.367991  -0.0455003   0.367991  2.0101      360         6.47971     360         
1 1 1 0  28 26 o 8.96586 3.93342 0.150836     0.365203  0.150836     0.365203  1.39341     180         6.39152     180         
1 1 1 0  28 27 o 8.36624 3.79518 0.0685035    0.373255  0.0685035    0.373255  2.07875     180         7.88345     180         
1 1 1 0  28 28 o 13.9521 4.93074 0.608012     0.434961  0.608012     0.434961  3.83243     180         1.93091     8.05847e-06 
1 1 1 0  28 29 o 10.9912 4.56477 0.343402     0.439221  0.343402     0.439221  0.486885    180         7.04763     360         
1 1 1 0  28 30 o 37.1629 4.27719 3.00379      0.758461  3.00379      0.758461  24.516      180         6.1342      8.72975e-06 
1 1 1 0  28 31 f 6.99938 3.41181 -0.230201    0.411687  -0.230201    0.411687  4.67884     180         0           0           
1 1 1 0  28 32 o 19.8776 5.51646 1.14831      0.5444    1.14831      0.5444    12.4689     180         0.280636    360         
1 1 1 0  28 33 o 12.6381 4.95266 0.519449     0.476287  0.519449     0.476287  0.568787    8.93424e-07 9.33882     180         
1 1 1 0  28 34 o 6.37016 3.17139 -0.383386    0.410944  -0.383386    0.410944  3.1388      180         7.88817     180         
1 1 1 0  28 35 o 7.13709 3.47615 -0.216277    0.425327  -0.216277    0.425327  0.460694    180         1.30806     180         
1 1 1 0  28 36 f 8.68267 4.12758 -0.0569829   0.528004  -0.0569829   0.528004  3.53236     180         0           0           
1 1 1 0  28 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  28 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  29 0  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  29 1  o 9.08497 4.05276 0.0981126    0.405055  0.0981126    0.405055  1.77603     270         8.20022     270         
1 1 1 0  29 2  o 62.8847 2.4384  7.45102      0.789341  7.45102      0.789341  44.6142     90          8.34144     270         
1 1 1 0  29 3  o 48.5033 2.55985 4.47349      0.635166  4.47349      0.635166  44.743      270         14.2547     270         
1 1 1 0  29 4  o 8.41256 3.64145 0.127117     0.303224  0.127117     0.303224  2.86105     90          10.6276     90          
1 1 1 0  29 5  o 4.32844 2.199   -0.392932    0.237999  -0.392932    0.237999  1.0078      89.9999     2.24411     89.9999     
1 1 1 0  29 6  o 24.6839 3.66355 1.29271      0.412836  1.29271      0.412836  22.4344     270         7.42205     270         
1 1 1 0  29 7  o 3.90044 1.99677 -0.417172    0.214754  -0.417172    0.214754  9.46294     270         20.6067     270         
1 1 1 0  29 8  o 6.58674 3.08211 -0.0513858   0.274944  -0.0513858   0.274944  0.336371    270         0.933787    270         
1 1 1 0  29 9  o 7.4125  3.3408  0.0414614    0.283528  0.0414614    0.283528  1.16928     89.9999     3.79788     89.9999     
1 1 1 0  29 10 o 8.2394  3.55883 0.125703     0.28823   0.125703     0.28823   8.47895     90          26.5674     90          
1 1 1 0  29 11 o 5.50552 2.67465 -0.161373    0.248062  -0.161373    0.248062  7.46965     90          18.2426     90          
1 1 1 0  29 12 o 73.4596 2.38931 10.1717      0.905415  10.1717      0.905415  57.5279     270         2.12312     270         
1 1 1 0  29 13 o 40.3613 2.54922 3.13183      0.52309   3.13183      0.52309   34.1423     270         6.33737     270         
1 1 1 0  29 14 o 21.6801 3.7441  1.03902      0.364474  1.03902      0.364474  16.699      270         11.5995     270         
1 1 1 0  29 15 o 32.248  2.81202 2.05225      0.45089   2.05225      0.45089   25.6594     270         2.00686     270         
1 1 1 0  29 16 o 7.7283  3.41344 0.0867011    0.279768  0.0867011    0.279768  2.90819     270         11.0625     270         
1 1 1 0  29 17 o 20.0879 4.03777 0.940779     0.36419   0.940779     0.36419   16.7527     90          4.48038     90          
1 1 1 0  29 18 o 7.98635 3.50093 0.106247     0.288743  0.106247     0.288743  0.118134    90.0008     0.51423     90.0008     
1 1 1 0  29 19 o 15.4563 4.45195 0.653513     0.350229  0.653513     0.350229  2.59741     89.9998     0.724677    89.9998     
1 1 1 0  29 20 o 82.657  2.14192 12.8767      0.914928  12.8767      0.914928  70.7267     90          16.5032     90          
1 1 1 0  29 21 o 13.0594 4.43331 0.504965     0.346221  0.504965     0.346221  2.47075     90          2.43795     270         
1 1 1 0  29 22 f 4.40283 2.24003 -0.415464    0.250945  -0.415464    0.250945  4.32255     90.0001     0           0           
1 1 1 0  29 23 o 8.04779 3.69825 0.026131     0.369933  0.026131     0.369933  0.557038    270         1.98006     270         
1 1 1 0  29 24 o 16.6023 4.89166 0.787445     0.420434  0.787445     0.420434  7.3717      270         7.97374     90          
1 1 1 0  29 25 o 8.71706 3.83994 0.13973      0.35164   0.13973      0.35164   2.63972     270         11.1402     270         
1 1 1 0  29 26 o 20.6246 4.84119 1.09874      0.460431  1.09874      0.460431  16.6017     270         6.69853     270         
1 1 1 0  29 27 o 12.8217 4.77816 0.522685     0.422362  0.522685     0.422362  2.17213     270         3.7604      90          
1 1 1 0  29 28 o 3.76615 1.96194 -0.794726    0.275345  -0.794726    0.275345  6.42487     270         13.773      270         
1 1 1 0  29 29 o 9.00508 4.03187 0.135753     0.405055  0.135753     0.405055  5.55612     270         18.3919     270         
1 1 1 0  29 30 o 8.73767 3.99621 0.076708     0.42498   0.076708     0.42498   1.55385     90          5.29522     90          
1 1 1 0  29 31 o 9.20593 4.20629 0.103475     0.469316  0.103475     0.469316  4.38668     270         15.87       270         
1 1 1 0  29 32 o 47.5568 3.17468 4.58662      0.765623  4.58662      0.765623  47.0625     90          25.1262     90          
1 1 1 0  29 33 o 6.81489 3.33736 -0.243705    0.40536   -0.243705    0.40536   6.83653     270         18.348      270         
1 1 1 0  29 34 o 9.55487 4.26225 0.187914     0.447973  0.187914     0.447973  0.475103    270         4.56553     270         
1 1 1 0  29 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  30 0  o 11.0229 5.35054 -0.554492    0.987891  -0.554492    0.987891  2.59171     8.64642e-06 9.83083     8.64642e-06 
1 1 1 0  30 1  o 32.5645 4.0348  2.22275      0.618571  2.22275      0.618571  39.1526     360         31.6678     360         
1 1 1 0  30 2  o 27.0108 3.69555 1.5389       0.461676  1.5389       0.461676  19.7096     180         1.83626     8.65295e-06 
1 1 1 0  30 3  o 33.3462 3.04075 2.20999      0.501602  2.20999      0.501602  29.2137     180         7.48991     180         
1 1 1 0  30 4  o 17.2017 4.5881  0.775199     0.383005  0.775199     0.383005  10.8712     0           2.39899     180         
1 1 1 0  30 5  o 17.0694 4.5719  0.765147     0.379563  0.765147     0.379563  8.4157      180         8.26301     8.65534e-06 
1 1 1 0  30 6  o 10.681  4.16076 0.322017     0.333894  0.322017     0.333894  0.694366    0           8.61306     180         
1 1 1 0  30 7  o 8.92    3.7974  0.173605     0.31826   0.173605     0.31826   1.64243     360         10.2997     360         
1 1 1 0  30 8  o 33.434  3.0333  2.22668      0.501998  2.22668      0.501998  19.1191     180         12.6515     8.65611e-06 
1 1 1 0  30 9  o 6.21173 2.94984 -0.0879883   0.268375  -0.0879883   0.268375  0.711962    180         2.02289     180         
1 1 1 0  30 10 o 35.2873 2.70091 2.43601      0.479393  2.43601      0.479393  26.9032     360         0.222939    360         
1 1 1 0  30 11 o 15.7828 4.37428 0.665282     0.342475  0.665282     0.342475  6.0515      360         1.9641      360         
1 1 1 0  30 12 o 36.5174 2.62125 2.59764      0.483508  2.59764      0.483508  29.9925     0           4.69392     0           
1 1 1 0  30 13 o 9.28345 3.78648 0.225271     0.293554  0.225271     0.293554  0.766672    360         6.06151     360         
1 1 1 0  30 14 o 15.7579 4.34649 0.664455     0.338767  0.664455     0.338767  7.99463     180         0.041193    8.65119e-06 
1 1 1 0  30 15 o 8.10441 3.48588 0.134191     0.274006  0.134191     0.274006  7.15538     8.65394e-06 22.4277     8.65394e-06 
1 1 1 0  30 16 o 12.6709 4.25513 0.470548     0.318029  0.470548     0.318029  0.947483    0           13.4245     180         
1 1 1 0  30 17 o 7.69296 3.39335 0.0934555    0.275542  0.0934555    0.275542  7.63534     360         22.2041     360         
1 1 1 0  30 18 o 10.9474 4.07859 0.355628     0.307674  0.355628     0.307674  0.171777    180         7.10836     8.62927e-06 
1 1 1 0  30 19 o 16.0596 4.36696 0.693828     0.343973  0.693828     0.343973  6.55909     3.61481e-06 8.64139     180         
1 1 1 0  30 20 o 44.8847 2.44225 3.8939       0.560284  3.8939       0.560284  42.1946     180         17.5639     180         
1 1 1 0  30 21 o 8.65588 3.70716 0.169294     0.307086  0.169294     0.307086  4.04052     8.6636e-06  15.4934     8.6636e-06  
1 1 1 0  30 22 o 3.57821 1.84977 -0.505018    0.212191  -0.505018    0.212191  3.85484     180         8.30082     180         
1 1 1 0  30 23 o 10.6371 4.2247  0.336315     0.352209  0.336315     0.352209  0.0184419   180         0.697451    360         
1 1 1 0  30 24 o 6.81113 3.2208  -0.0658526   0.313879  -0.0658526   0.313879  4.69689     180         12.4493     180         
1 1 1 0  30 25 o 22.4775 4.37517 1.21073      0.440767  1.21073      0.440767  16.7806     2.46106e-06 2.6564      2.46106e-06 
1 1 1 0  30 26 o 28.1416 3.83917 1.73242      0.499944  1.73242      0.499944  23.1916     180         5.74813     180         
1 1 1 0  30 27 o 10.2081 4.23566 0.294091     0.377583  0.294091     0.377583  0.102203    8.67589e-06 0.655757    8.6759e-06  
1 1 1 0  30 28 o 6.32404 3.09902 -0.232751    0.350995  -0.232751    0.350995  2.7627      8.64616e-06 6.93778     8.64616e-06 
1 1 1 0  30 29 o 10.429  4.38598 0.310627     0.414661  0.310627     0.414661  0.0675471   8.60674e-06 1.19371     8.60674e-06 
1 1 1 0  30 30 o 7.1372  3.42804 -0.125729    0.382984  -0.125729    0.382984  4.03029     8.65142e-06 11.578      8.65142e-06 
1 1 1 0  30 31 o 4.92942 2.52778 -0.65353     0.351763  -0.65353     0.351763  0.595942    360         1.39646     360         
1 1 1 0  30 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  31 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  31 1  o 13.513  5.08226 0.563121     0.48144   0.563121     0.48144   2.25918     270         12.7468     90          
1 1 1 0  31 2  o 34.209  3.0865  2.34561      0.522986  2.34561      0.522986  25.7173     90          0.0227928   270         
1 1 1 0  31 3  o 16.4103 4.60046 0.732143     0.377219  0.732143     0.377219  4.87067     270         1.48803     270         
1 1 1 0  31 4  o 12.0603 4.38213 0.433888     0.34892   0.433888     0.34892   0.510371    90          15.9643     90          
1 1 1 0  31 5  o 9.813   4.04658 0.251904     0.341093  0.251904     0.341093  0.00474881  270.001     0.0587393   270.001     
1 1 1 0  31 6  o 34.2978 3.03028 2.35411      0.516031  2.35411      0.516031  37.5981     270         23.9582     270         
1 1 1 0  31 7  o 23.215  4.20425 1.23476      0.437287  1.23476      0.437287  20.1753     270         12.3619     270         
1 1 1 0  31 8  o 21.008  4.26927 1.04749      0.403059  1.04749      0.403059  16.2526     270         8.01212     270         
1 1 1 0  31 9  o 4.60599 2.30289 -0.261913    0.224263  -0.261913    0.224263  6.6754      90          14.9981     90          
1 1 1 0  31 10 o 9.31919 3.81963 0.229182     0.300967  0.229182     0.300967  0.396477    90          2.32623     90          
1 1 1 0  31 11 o 15.3643 4.38703 0.648045     0.340961  0.648045     0.340961  6.22214     90          0.901183    270         
1 1 1 0  31 12 o 13.0399 4.25018 0.495453     0.315576  0.495453     0.315576  2.45018     270         9.7972      90          
1 1 1 0  31 13 o 25.6151 3.18067 1.37011      0.383411  1.37011      0.383411  19.1813     270         0.393124    270         
1 1 1 0  31 14 o 8.60794 3.61807 0.179796     0.281875  0.179796     0.281875  2.65516     270         10.7144     270         
1 1 1 0  31 15 o 8.33398 3.51986 0.164043     0.269211  0.164043     0.269211  0.320845    90          1.32747     90          
1 1 1 0  31 16 o 15.1794 4.2945  0.633274     0.327687  0.633274     0.327687  3.25182     270         0.482157    270         
1 1 1 0  31 17 o 14.7611 4.27809 0.606758     0.322862  0.606758     0.322862  4.79363     90          0.451173    270         
1 1 1 0  31 18 o 22.1784 3.6822  1.10208      0.367806  1.10208      0.367806  18.6475     90          7.3411      90          
1 1 1 0  31 19 o 4.33631 2.17438 -0.251221    0.204942  -0.251221    0.204942  0.610301    270         1.34648     270         
1 1 1 0  31 20 o 30.4547 3.00031 1.89499      0.447366  1.89499      0.447366  31.8849     90          21.1458     90          
1 1 1 0  31 21 o 16.4345 4.4135  0.73361      0.353288  0.73361      0.353288  6.47935     270         1.8503      90          
1 1 1 0  31 22 o 18.1168 4.72748 0.891334     0.411068  0.891334     0.411068  9.11222     270         3.26669     90          
1 1 1 0  31 23 o 31.3844 3.06423 2.02024      0.471457  2.02024      0.471457  31.5387     90          18.3751     90          
1 1 1 0  31 24 o 30.239  3.15833 1.89699      0.463395  1.89699      0.463395  25.9385     270         8.24063     270         
1 1 1 0  31 25 o 11.4658 4.37831 0.413875     0.362229  0.413875     0.362229  0.691075    90          12.1417     90          
1 1 1 0  31 26 o 5.1514  2.5876  -0.353469    0.294727  -0.353469    0.294727  6.63655     90          15.4287     90          
1 1 1 0  31 27 o 16.2595 4.96333 0.799224     0.430318  0.799224     0.430318  7.28437     270         6.12384     90          
1 1 1 0  31 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  31 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  32 0  o 32.9784 9.21453 3.24009      1.51514   3.24009      1.51514   25.9083     180         4.7679      180         
1 1 1 0  32 1  o 37.4787 3.42989 2.87513      0.635633  2.87513      0.635633  26.0668     180         3.34431     360         
1 1 1 0  32 2  o 6.72308 3.18408 -0.0768571   0.308881  -0.0768571   0.308881  0.521993    360         1.46155     360         
1 1 1 0  32 3  o 6.12427 2.96461 -0.159011    0.298637  -0.159011    0.298637  1.15423     9.20151e-06 2.99113     9.20151e-06 
1 1 1 0  32 4  o 6.52111 3.1049  -0.0942935   0.300984  -0.0942935   0.300984  0.959834    180         2.61772     180         
1 1 1 0  32 5  o 16.0609 4.7294  0.733259     0.393054  0.733259     0.393054  5.38869     9.74814e-06 1.17277     9.74814e-06 
1 1 1 0  32 6  o 26.9272 3.92658 1.59031      0.483967  1.59031      0.483967  21.0917     180         2.5251      180         
1 1 1 0  32 7  o 13.623  4.59627 0.561209     0.371508  0.561209     0.371508  2.84192     180         1.24446     360         
1 1 1 0  32 8  o 18.5062 4.50503 0.884955     0.388878  0.884955     0.388878  12.1717     5.50904e-06 4.45767     5.50904e-06 
1 1 1 0  32 9  o 28.8436 3.21666 1.72532      0.445202  1.72532      0.445202  25.8889     6.71256e-08 9.46278     6.71256e-08 
1 1 1 0  32 10 o 6.66454 3.09634 -0.0151216   0.269846  -0.0151216   0.269846  6.40324     180         17.0054     180         
1 1 1 0  32 11 o 15.5995 4.51764 0.685477     0.360104  0.685477     0.360104  6.77419     1.42584e-06 2.79123     180         
1 1 1 0  32 12 o 7.27123 3.23402 0.0760028    0.255824  0.0760028    0.255824  3.63614     180         10.3343     180         
1 1 1 0  32 13 o 5.72914 2.71995 -0.0683826   0.227898  -0.0683826   0.227898  5.50445     180         13.1432     180         
1 1 1 0  32 14 o 40.5075 2.51958 3.20869      0.519212  3.20869      0.519212  30.409      360         1.62082     360         
1 1 1 0  32 15 o 27.5041 3.05406 1.56628      0.403373  1.56628      0.403373  26.3902     180         16.1896     180         
1 1 1 0  32 16 o 12.0438 3.96983 0.426947     0.27576   0.426947     0.27576   0.236076    360         2.87847     180         
1 1 1 0  32 17 o 11.6222 4.12259 0.410633     0.30462   0.410633     0.30462   0.0301094   180         5.38674     180         
1 1 1 0  32 18 o 20.4975 4.49197 1.05166      0.417911  1.05166      0.417911  13.775      360         2.02495     360         
1 1 1 0  32 19 o 9.13094 3.78989 0.224116     0.302451  0.224116     0.302451  3.09072     360         11.7486     360         
1 1 1 0  32 20 o 3.4145  1.75221 -0.342246    0.170686  -0.342246    0.170686  2.55904     8.64662e-06 5.41686     8.64662e-06 
1 1 1 0  32 21 o 26.5129 4.34261 1.62945      0.519212  1.62945      0.519212  22.3235     180         7.07857     180         
1 1 1 0  32 22 o 10.6854 3.99721 0.352106     0.296481  0.352106     0.296481  0.00571203  8.65134e-06 6.10661     8.65142e-06 
1 1 1 0  32 23 o 13.4287 4.31365 0.540315     0.32463   0.540315     0.32463   3.3748      180         2.26309     8.65142e-06 
1 1 1 0  32 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  32 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  33 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  33 1  o 9.41508 4.11929 0.190827     0.397873  0.190827     0.397873  0.725182    90          3.0465      90          
1 1 1 0  33 2  o 4.03457 2.08478 -0.621243    0.267634  -0.621243    0.267634  4.25092     90          9.15013     90          
1 1 1 0  33 3  o 14.7197 4.70314 0.649085     0.385785  0.649085     0.385785  3.61552     270         3.97303     90          
1 1 1 0  33 4  o 30.8118 3.45647 1.99528      0.510507  1.99528      0.510507  30.7197     90          17.9206     90          
1 1 1 0  33 5  o 6.86622 3.22503 -0.0426464   0.305725  -0.0426464   0.305725  2.39778     90          6.16348     90          
1 1 1 0  33 6  o 26.5758 3.76082 1.54498      0.459663  1.54498      0.459663  23.8246     90          14.4321     90          
1 1 1 0  33 7  o 29.1127 3.49264 1.79703      0.481532  1.79703      0.481532  23.9166     90          5.94591     90          
1 1 1 0  33 8  o 3.78943 1.94983 -0.464167    0.219418  -0.464167    0.219418  1.07486     270         2.28791     270         
1 1 1 0  33 9  f 4.94688 2.45633 -0.237024    0.241589  -0.237024    0.241589  1.54777     270         0           0           
1 1 1 0  33 10 o 6.93957 3.20608 0.00360576   0.283352  0.00360576   0.283352  0.274808    89.9999     0.721582    89.9999     
1 1 1 0  33 11 o 9.72348 3.84257 0.276112     0.28957   0.276112     0.28957   1.2014      270         5.84874     270         
1 1 1 0  33 12 o 13.7296 4.15372 0.538969     0.301718  0.538969     0.301718  0.0151601   270.004     0.0136242   90.0043     
1 1 1 0  33 13 o 2.11872 1.10798 -0.320545    0.0959254 -0.320545    0.0959254 0.946043    90          1.93139     90          
1 1 1 0  33 14 o 14.843  4.63991 0.657794     0.375426  0.657794     0.375426  2.82545     90          0.768074    270         
1 1 1 0  33 15 o 31.4252 4.91826 2.32832      0.700528  2.32832      0.700528  32.8648     90          24.5944     90          
1 1 1 0  33 16 o 39.4995 5.64737 3.78354      1.02421   3.78354      1.02421   37.0807     270         17.6337     270         
1 1 1 0  33 17 o 8.66486 4.23075 -0.274484    0.639525  -0.274484    0.639525  1.14796     90          4.8892      90          
1 1 1 0  33 18 o 18.4288 6.83527 1.32387      0.86116   1.32387      0.86116   10.2013     90          3.37304     270         
1 1 1 0  33 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  33 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  34 0  o 19.4569 7.88024 1.31517      1.25826   1.31517      1.25826   3.06518     360         3.06297     180         
1 1 1 0  34 1  o 8.87554 4.09418 0.0633213    0.459511  0.0633213    0.459511  0.183528    180         0.774897    180         
1 1 1 0  34 2  o 7.99929 3.64979 0.0610677    0.351699  0.0610677    0.351699  0.727139    8.65116e-06 2.41591     8.65116e-06 
1 1 1 0  34 3  o 9.17948 3.96454 0.201402     0.357627  0.201402     0.357627  0.70135     8.64752e-06 3.41641     8.64751e-06 
1 1 1 0  34 4  o 56.0099 2.65225 6.15111      0.761988  6.15111      0.761988  54.4353     0           28.8186     0           
1 1 1 0  34 5  o 20.3452 4.72046 1.07776      0.441459  1.07776      0.441459  7.24395     180         14.3068     8.65142e-06 
1 1 1 0  34 6  o 16.6679 4.6872  0.789431     0.391154  0.789431     0.391154  5.16604     0           1.32178     0           
1 1 1 0  34 7  o 22.6321 4.27874 1.22417      0.433702  1.22417      0.433702  17.8081     2.80582e-06 4.76832     2.80582e-06 
1 1 1 0  34 8  o 8.51456 3.65285 0.171154     0.299225  0.171154     0.299225  0.348087    180         1.46981     180         
1 1 1 0  34 9  o 9.80865 4.03736 0.27502      0.338532  0.27502      0.338532  0.115854    360         1.54055     360         
1 1 1 0  34 10 o 8.41026 3.52133 0.181893     0.265123  0.181893     0.265123  1.86124     180         7.66947     180         
1 1 1 0  34 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  34 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  34 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 0  34 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  0  1  o 557.873 3.33154 570.708      9.63258   570.708      9.63258   588.945     90          101.523     90          
1 1 1 1  0  2  o 391.652 2.76472 281.274      5.61158   281.274      5.61158   620.864     180         486.231     180         
1 1 1 1  0  3  o 17.7384 3.29503 0.683497     0.26176   0.683497     0.26176   28.8011     90          59.6906     90          
1 1 1 1  0  4  o 37.5462 3.17967 2.69357      0.595387  2.69357      0.595387  13.3785     7.82504e-05 32.5967     7.82504e-05 
1 1 1 1  0  5  o 288.23  2.48273 152.352      3.70812   152.352      3.70812   360.71      270         166.186     270         
1 1 1 1  0  6  o 158.95  2.22537 46.365       1.83193   46.365       1.83193   114.39      360         86.362      360         
1 1 1 1  0  7  o 52.835  1.88555 5.1556       0.513388  5.1556       0.513388  136.15      90          361.174     90          
1 1 1 1  0  8  o 86.3489 1.88203 13.7054      0.840579  13.7054      0.840579  7.13065     180         4.18104     0.000239277 
1 1 1 1  0  9  o 96.6232 1.89887 17.1521      0.949399  17.1521      0.949399  10.0075     90          156.415     270         
1 1 1 1  0  10 o 140.527 1.94207 36.2395      1.41345   36.2395      1.41345   13.6259     180.001     9.56977     180.001     
1 1 1 1  0  11 o 247.871 2.11201 112.678      2.71275   112.678      2.71275   214.82      270         44.8446     90          
1 1 1 1  0  12 o 261.515 2.14739 125.427      2.91009   125.427      2.91009   240.948     180         17.9504     360         
1 1 1 1  0  13 o 385.967 2.44148 273.191      4.88378   273.191      4.88378   315.6       270         105.305     90          
1 1 1 1  0  14 o 163.045 2.0054  48.7754      1.69373   48.7754      1.69373   114.317     180         81.5946     9.76845e-06 
1 1 1 1  0  15 o 53.5705 2.06909 5.3074       0.570616  5.3074       0.570616  45.6823     270         150.3       270         
1 1 1 1  0  16 o 136.765 2.00088 34.329       1.41713   34.329       1.41713   143.348     360         58.5505     360         
1 1 1 1  0  17 o 560.951 2.97287 576.942      8.64324   576.942      8.64324   709.817     270         357.639     270         
1 1 1 1  0  18 o 191.577 2.08332 67.3192      2.06775   67.3192      2.06775   147.503     180         66.8144     9.83971e-06 
1 1 1 1  0  19 o 913.722 4.18745 1531.11      19.8314   1531.11      19.8314   837.208     270         47.2717     90          
1 1 1 1  0  20 o 324.021 2.96046 192.565      4.97051   192.565      4.97051   281.255     1.93717e-07 46.4661     180         
1 1 1 1  0  21 o 167.966 2.95914 51.8172      2.57281   51.8172      2.57281   175.376     270         38.4205     270         
1 1 1 1  0  22 o 299.452 2.30637 164.433      3.57907   164.433      3.57907   269.32      3.89837e-07 21.0585     180         
1 1 1 1  0  23 o 74.479  2.20175 10.2216      0.84664   10.2216      0.84664   4.45412     89.9999     12.3774     270         
1 1 1 1  0  24 f 86.2781 2.17423 13.6978      0.969578  13.6978      0.969578  4.07114     180         0           0           
1 1 1 1  0  25 o 300.357 2.32912 165.454      3.62528   165.454      3.62528   316.432     90          76.6573     90          
1 1 1 1  0  26 o 168.173 2.14212 51.9023      1.86601   51.9023      1.86601   206.069     180         152.59      180         
1 1 1 1  0  27 o 366.222 2.8686  246.088      5.44408   246.088      5.44408   399.072     90          124.592     90          
1 1 1 1  0  28 o 141.054 3.05428 36.6066      2.22845   36.6066      2.22845   172.092     180         90.7498     180         
1 1 1 1  0  29 o 420.631 2.6372  324.647      5.74908   324.647      5.74908   464.773     270         161.604     270         
1 1 1 1  0  30 o 133.657 2.1625  32.8145      1.49646   32.8145      1.49646   149.639     2.25635e-06 56.2163     2.25635e-06 
1 1 1 1  0  31 o 166.898 2.18365 51.145       1.88769   51.145       1.88769   123.423     270         55.4632     90          
1 1 1 1  0  32 o 214.28  2.23537 84.2857      2.4817    84.2857      2.4817    230.529     180         74.5294     180         
1 1 1 1  0  33 o 140.054 2.19267 36.0371      1.59008   36.0371      1.59008   141.217     270         30.8771     270         
1 1 1 1  0  34 o 16.9748 4.97312 0.744528     0.435112  0.744528     0.435112  13.7428     2.23168e-05 32.4045     2.23168e-05 
1 1 1 1  0  35 o 14.0501 4.9396  0.535058     0.435456  0.535058     0.435456  3.63404     270         8.21856     270         
1 1 1 1  0  36 o 46.7764 2.73079 4.09878      0.65139   4.09878      0.65139   31.7345     180         6.39047     8.65128e-06 
1 1 1 1  0  37 o 174.066 2.25352 55.6662      2.03179   55.6662      2.03179   196.383     270         85.822      270         
1 1 1 1  0  38 o 34.9271 3.31561 2.36106      0.569936  2.36106      0.569936  6.46689     360         25.7115     180         
1 1 1 1  0  39 o 60.7533 2.54887 6.85311      0.796161  6.85311      0.796161  55.5797     90          8.53784     90          
1 1 1 1  0  40 o 28.5044 4.17875 1.67728      0.544774  1.67728      0.544774  3.21454     180         6.32346     8.65343e-06 
1 1 1 1  0  41 o 62.388  2.53109 7.23183      0.812324  7.23183      0.812324  70.7935     270         33.9883     270         
1 1 1 1  0  42 o 11.9793 5.18382 0.236059     0.614085  0.236059     0.614085  14.2912     180         37.6663     180         
1 1 1 1  0  43 o 133.387 2.47637 32.8591      1.70956   32.8591      1.70956   119.628     90          11.3549     90          
1 1 1 1  0  44 o 77.6219 2.44346 11.1803      0.978705  11.1803      0.978705  69.2155     1.00535e-10 6.56596     1.00535e-10 
1 1 1 1  0  45 o 36.8602 3.18379 2.63099      0.5841    2.63099      0.5841    40.3964     90          23.7328     90          
1 1 1 1  0  46 f 70.2946 2.50602 9.21559      0.907818  9.21559      0.907818  32.9021     180         0           0           
1 1 1 1  0  47 f 48.1504 2.9041  4.40531      0.712233  4.40531      0.712233  34.6133     90          0           0           
1 1 1 1  0  48 o 15.8345 6.02955 0.715713     0.685152  0.715713     0.685152  5.89804     180         3.16916     360         
1 1 1 1  0  49 o 53.3897 2.79073 5.39924      0.762417  5.39924      0.762417  50.1536     270         12.3405     270         
1 1 1 1  0  50 o 62.2848 2.69108 7.32211      0.861331  7.32211      0.861331  60.1411     7.36502e-11 18.3259     7.36503e-11 
1 1 1 1  0  51 o 8.24199 3.91124 -0.146795    0.470304  -0.146795    0.470304  0.41738     89.9998     1.40644     89.9998     
1 1 1 1  0  52 o 29.9929 4.27041 1.91192      0.588477  1.91192      0.588477  30.5681     180         13.0479     180         
1 1 1 1  0  53 o 7.66351 3.69288 -0.218476    0.45208   -0.218476    0.45208   0.571392    270         1.90304     270         
1 1 1 1  0  54 o 9.49792 4.30911 0.0797427    0.481394  0.0797427    0.481394  0.548651    180         6.50927     180         
1 1 1 1  0  55 o 17.7316 5.5911  0.932702     0.545051  0.932702     0.545051  10.47       90.0001     5.0957      90.0001     
1 1 1 1  0  56 o 60.4233 2.9044  7.09655      0.899882  7.09655      0.899882  73.4158     180         51.9748     180         
1 1 1 1  0  57 o 8.48372 4.04318 -0.118403    0.512669  -0.118403    0.512669  4.40911     270         16.4765     270         
1 1 1 1  0  58 o 34.1575 4.76705 2.64908      0.750584  2.64908      0.750584  33.9636     180         15.1373     180         
1 1 1 1  0  59 o 10.5508 4.9927  0.0265256    0.756606  0.0265256    0.756606  0.35529     90.0001     3.46962     270         
1 1 1 1  0  60 o 12.5919 5.28725 0.522971     0.600835  0.522971     0.600835  0.393599    180         13.8751     8.7925e-06  
1 1 1 1  0  61 o 25.2266 5.80133 1.75621      0.671177  1.75621      0.671177  22.355      270         8.95359     270         
1 1 1 1  0  62 o 17.0892 5.94722 1.04814      0.628464  1.04814      0.628464  8.99337     180         0.0386105   180         
1 1 1 1  0  63 o 26.6542 7.35518 2.43299      0.969919  2.43299      0.969919  21.1362     90          2.90541     90          
1 1 1 1  1  0  o 379.858 2.34985 264.551      4.62613   264.551      4.62613   404.113     270         75.4659     270         
1 1 1 1  1  1  o 468.899 2.9737  395.431      7.99127   411.014      6.33486   749.317     275.356     632.012     275.356     
1 1 1 1  1  2  o 354.969 2.77705 229.382      5.33565   232.711      4.86977   539.138     309.087     438.119     309.087     
1 1 1 1  1  3  o 401.715 3.25297 294.247      7.13388   297.678      6.38855   488.137     60.8378     217.952     60.8378     
1 1 1 1  1  4  o 199.669 2.27471 72.8645      2.35378   73.3165      2.35486   245.686     105.49      169.244     105.49      
1 1 1 1  1  5  o 231.257 2.46366 97.6939      2.81635   98.4104      3.08506   301.028     4.84353     203.093     4.84353     
1 1 1 1  1  6  o 63.1789 2.01008 7.5033       0.607365  7.16286      0.699986  6.96329     34.4434     48.7795     34.4434     
1 1 1 1  1  7  o 197.036 2.16018 73.8654      2.03898   68.5297      2.34879   155.619     7.41918     46.0196     187.419     
1 1 1 1  1  8  o 110.294 2.04495 22.2256      1.08254   22.3939      1.24904   2.21632     335.796     183.117     155.796     
1 1 1 1  1  9  o 81.7467 1.96273 12.4946      0.80274   12.0375      0.856121  13.1386     198.875     146.264     198.875     
1 1 1 1  1  10 o 196.074 2.012   69.8842      2.04452   71.0897      2.04524   124.818     255.911     107.791     75.9111     
1 1 1 1  1  11 o 48.5318 2.13843 4.39174      0.573736  4.28003      0.49475   17.5024     358.389     53.3581     358.389     
1 1 1 1  1  12 o 295.114 2.40001 156.261      3.9133    163.253      3.39884   311.616     133.117     77.116      133.117     
1 1 1 1  1  13 o 356.014 2.44777 231.935      4.6638    233.009      4.36491   361.735     14.5544     57.8713     14.5544     
1 1 1 1  1  14 o 273.009 2.183   134.524      3.08561   138.838      3.09255   273.778     202.757     45.7812     202.757     
1 1 1 1  1  15 o 197.971 2.0583  70.7269      2.10981   72.9929      2.11432   226.618     198.9       115.54      198.9       
1 1 1 1  1  16 o 245.966 2.14467 110.995      2.73463   110.832      2.73424   197.725     256.07      54.9515     76.0701     
1 1 1 1  1  17 o 203.743 2.08407 74.3805      2.19754   77.8344      2.2038    134.648     198.924     98.8513     18.9241     
1 1 1 1  1  18 o 281.277 2.23317 146.535      3.25824   143.551      3.25358   209.16      332.956     99.8429     152.956     
1 1 1 1  1  19 o 580.071 3.04406 610.33       9.14537   623.752      9.16006   516.385     320.326     52.9979     140.326     
1 1 1 1  1  20 o 367.488 2.95368 249.431      5.87749   245.862      5.36735   283.307     48.9884     113.922     228.988     
1 1 1 1  1  21 o 224.29  2.90194 91.0546      3.54444   93.4563      3.18887   134.389     261.287     136.861     81.2867     
1 1 1 1  1  22 o 63.5397 2.41141 8.40847      0.794086  6.50088      0.78008   50.9695     270.574     186.05      270.574     
1 1 1 1  1  23 o 351.687 2.42828 224.93       4.42359   228.671      4.42976   284.736     228.051     75.1747     48.0513     
1 1 1 1  1  24 o 142.423 2.10949 39.0408      1.56149   35.3909      1.55093   102.334     273.771     30.3619     93.7714     
1 1 1 1  1  25 o 192.768 2.15648 66.7497      2.14932   69.555       2.15985   166.544     220.671     2.06845     40.6703     
1 1 1 1  1  26 o 237.952 2.22082 103.458      2.73695   104.249      2.74154   202.703     131.756     17.8004     311.756     
1 1 1 1  1  27 o 101.377 2.49126 19.2768      1.31159   18.4895      1.30247   67.7459     307.891     3.0324      307.89      
1 1 1 1  1  28 o 372.667 3.56634 261.276      6.90156   249.407      6.8748    357.286     194.871     38.9019     194.871     
1 1 1 1  1  29 o 219.309 2.37128 87.9743      2.69132   88.5957      2.70005   192.051     352.583     8.22972     172.583     
1 1 1 1  1  30 o 225.083 2.23133 95.1671      2.60863   90.846       2.59732   212.765     116.419     21.7567     116.419     
1 1 1 1  1  31 o 52.392  2.44473 5.50919      0.665737  4.63599      0.651917  5.64967     323.576     68.2988     143.576     
1 1 1 1  1  32 o 25.5931 3.57407 0.844125     0.44632   1.70581      0.467966  37.124      295.31      101.717     295.31      
1 1 1 1  1  33 o 192.627 2.21742 70.9441      2.22143   65.3969      2.20466   206.352     17.5754     74.2019     17.5754     
1 1 1 1  1  34 o 184.291 2.22548 60.8297      2.11833   63.9494      2.13297   177.467     71.0252     31.3643     71.0252     
1 1 1 1  1  35 o 168.742 2.22494 51.8895      1.94312   52.7191      1.94909   86.4553     334.817     123.845     154.817     
1 1 1 1  1  36 o 119.592 2.25169 25.6224      1.39026   26.9833      1.39847   104.561     288.009     3.76007     288.009     
1 1 1 1  1  37 o 171.333 2.24727 53.9186      1.99645   53.9951      1.99524   164.529     43.7575     31.9866     43.7575     
1 1 1 1  1  38 o 102.282 2.30105 18.5553      1.21165   19.9802      1.2244    101.927     327.709     34.6048     327.709     
1 1 1 1  1  39 o 213     2.30167 84.0282      2.54249   82.9896      2.54002   206.595     269.301     45.1753     269.301     
1 1 1 1  1  40 o 45.0378 2.81961 3.82464      0.646521  3.72744      0.656132  21.0603     292.915     11.437      292.915     
1 1 1 1  1  41 o 103.21  2.49868 19.5148      1.33739   19.8852      1.33208   111.75      224.485     49.745      224.485     
1 1 1 1  1  42 o 24.0828 5.0011  1.01404      0.619865  1.24361      0.711598  9.18359     331.255     53.0941     331.255     
1 1 1 1  1  43 o 28.7421 4.11663 1.30805      0.566326  1.94491      0.620341  14.751      263.194     2.15611     83.194      
1 1 1 1  1  44 o 58.2631 2.58957 6.71056      0.787613  5.97631      0.767607  37.2448     350.115     20.8471     170.115     
1 1 1 1  1  45 o 32.4206 3.44511 2.50169      0.574196  1.60235      0.534384  20.485      289.917     7.20314     109.917     
1 1 1 1  1  46 o 49.5699 2.787   4.17755      0.701339  5.1336       0.713911  47.7967     261.054     16.6915     261.054     
1 1 1 1  1  47 o 51.3136 2.99053 4.83441      0.781266  5.2015       0.795086  54.8085     359.983     28.0995     359.983     
1 1 1 1  1  48 o 38.9758 4.62213 3.44022      0.903533  2.73901      0.891659  28.0403     181.2       5.67693     1.19995     
1 1 1 1  1  49 o 25.4785 4.3142  0.828366     0.579278  1.8744       0.58704   14.373      249.923     9.20329     69.9232     
1 1 1 1  1  50 o 33.1684 3.59195 2.3817       0.592246  2.00839      0.59908   29.813      246.752     9.66858     246.752     
1 1 1 1  1  51 o 41.22   3.24843 2.67038      0.657822  4.07092      0.681793  34.5846     206.18      4.89443     206.18      
1 1 1 1  1  52 o 13.346  3.9397  -0.132311    0.455629  0.344878     0.479922  1.25908     184.008     1.66071     4.00787     
1 1 1 1  1  53 o 21.445  4.54651 0.896226     0.557685  1.10326      0.538893  15.2823     43.8834     6.65816     43.8834     
1 1 1 1  1  54 o 13.7689 4.04096 0.470044     0.507264  -0.206036    0.492371  4.26491     212.712     3.81578     32.7123     
1 1 1 1  1  55 o 12.2554 3.85399 0.0222025    0.491526  -0.0851127   0.493604  2.67118     13.6586     3.56135     193.659     
1 1 1 1  1  56 o 12.4928 3.92697 -0.0647272   0.513719  0.0621924    0.508536  2.33929     228.619     8.14435     48.6188     
1 1 1 1  1  57 o 22.495  4.84437 1.26813      0.621161  1.25904      0.61013   14.2058     219.322     8.7824      219.322     
1 1 1 1  1  58 o 21.0144 5.18948 1.37171      0.710662  1.01487      0.690197  13.8902     182.194     5.22804     182.194     
1 1 1 1  1  59 f 15.4183 4.55801 1.05723      0.71187   -0.460576    0.636726  4.48484     205.003     0           0           
1 1 1 1  1  60 o 21.6866 4.94121 1.10242      0.643055  1.4988       0.637298  12.7956     189.911     1.61746     9.91119     
1 1 1 1  1  61 o 13.1444 4.15113 0.305466     0.575626  -0.0487882   0.591609  0.271191    277.942     11.9056     97.9425     
1 1 1 1  1  62 o 19.5544 4.82084 1.69828      0.680538  0.465372     0.645145  9.4749      208.824     4.90142     28.8243     
1 1 1 1  1  63 f 21.0031 5.60017 1.30205      0.823496  1.77143      0.852167  15.1861     233.509     0           0           
1 1 1 1  2  0  o 240.915 2.87534 106.489      3.58842   106.489      3.58842   370.881     270         287.799     270         
1 1 1 1  2  1  o 177.686 2.44227 60.4221      2.47848   55.4025      2.01331   171.308     305.89      33.0982     305.89      
1 1 1 1  2  2  o 176.671 2.80184 58.1296      2.87986   56.3438      2.21897   160.215     225.206     10.1148     225.206     
1 1 1 1  2  3  o 165.183 2.20486 49.2251      1.88663   50.8245      1.88882   175.335     355.877     110.414     355.877     
1 1 1 1  2  4  o 188.044 2.10706 64.5679      2.19475   65.0803      1.90123   87.5679     98.7148     169.957     278.715     
1 1 1 1  2  5  f 264.739 2.24586 132.448      3.08377   124.591      3.0782    257.093     306.212     0           0           
1 1 1 1  2  6  o 400.767 2.43634 290.463      5.05814   298.508      5.06378   384.509     284.341     9.72059     284.341     
1 1 1 1  2  7  o 442.173 2.56139 360.02       5.87379   356.961      5.86781   466.79      284.976     95.429      284.976     
1 1 1 1  2  8  o 307.083 2.38732 173.503      4.0608    172.298      3.52215   309.784     238.663     46.2551     238.663     
1 1 1 1  2  9  o 299.316 2.37762 163.67       3.93928   164.882      3.41823   263.701     170.211     32.2189     350.211     
1 1 1 1  2  10 o 97.3394 1.981   16.7452      1.02693   18.0396      0.965788  13.4219     111.982     125.913     291.982     
1 1 1 1  2  11 o 84.0188 2.00251 14.0011      0.841346  11.9566      0.891525  18.9036     315.828     57.8807     135.828     
1 1 1 1  2  12 o 168.821 2.15591 53.5784      1.74722   50.9699      2.00947   149.872     231.56      7.88616     231.56      
1 1 1 1  2  13 o 257.935 2.32572 125.425      2.87856   118.65       3.31159   267.017     271.258     62.7285     271.258     
1 1 1 1  2  14 o 457.627 2.8647  390.85       6.29252   377.496      7.24666   381.069     224.111     100.199     44.1109     
1 1 1 1  2  15 o 11.8932 3.10416 0.169124     0.233301  0.236398     0.27226   97.8413     339.127     198.849     339.127     
1 1 1 1  2  16 o 283.96  2.29692 148.167      3.26786   147.492      3.4898    219.728     98.1499     85.473      278.15      
1 1 1 1  2  17 o 120.279 2.07139 26.9623      1.33557   26.0824      1.24704   74.5576     349.004     32.7067     349.004     
1 1 1 1  2  18 o 366.45  2.61469 248.263      5.31332   244.154      4.60002   279.749     26.9523     122.029     206.952     
1 1 1 1  2  19 o 552.2   3.4721  549.863      10.7014   568.736      9.07949   504.855     140.652     22.195      320.652     
1 1 1 1  2  20 o 236.475 2.61553 104.772      3.35504   100.317      3.05553   223.669     26.6632     23.3971     26.6633     
1 1 1 1  2  21 o 349.115 2.67608 221.061      4.64914   225.929      5.03265   363.189     221.6       86.9517     221.6       
1 1 1 1  2  22 o 386.684 2.79089 275.688      5.37719   272.732      5.80058   426.832     18.109      145.537     18.109      
1 1 1 1  2  23 o 63.653  2.25446 7.47618      0.740852  7.41931      0.742121  85.7498     27.3563     266.107     27.3563     
1 1 1 1  2  24 o 108.416 2.12244 21.2351      1.18806   21.9061      1.19508   66.3059     268.031     10.6245     268.031     
1 1 1 1  2  25 o 190.843 2.14951 67.4414      2.12878   66.1467      2.12393   175         51.6327     20.6168     51.6327     
1 1 1 1  2  26 o 300.006 2.33401 165.938      3.63146   164.271      3.62778   307.168     288.177     76.1688     288.177     
1 1 1 1  2  27 o 178.394 2.48464 59.1058      2.301     57.6965      2.29402   179.314     96.0571     53.8752     96.0571     
1 1 1 1  2  28 o 47.6692 2.69454 3.35662      0.639535  5.13605      0.660801  2.03577     4.67881     19.5016     4.67881     
1 1 1 1  2  29 o 225.489 2.57371 93.2361      3.00604   93.4849      3.01048   196.674     138.462     10.7818     318.461     
1 1 1 1  2  30 o 39.5807 2.69221 3.18285      0.551159  2.63861      0.537061  1.68373     42.7617     5.30722     222.762     
1 1 1 1  2  31 o 73.8393 2.27437 9.59463      0.864517  10.4749      0.871351  20.9261     228.309     81.4612     48.3093     
1 1 1 1  2  32 o 170.128 2.18896 54.0054      1.93194   52.2915      1.92851   137.849     228.799     24.7411     48.7994     
1 1 1 1  2  33 o 69.9096 2.32325 8.36839      0.832685  9.64856      0.843881  39.4902     210.139     32.2734     30.1393     
1 1 1 1  2  34 o 186.144 2.22399 62.8636      2.14034   64.4235      2.15136   192.24      303.84      58.2697     303.84      
1 1 1 1  2  35 o 95.6474 2.2679  17.5581      1.12792   16.1086      1.11661   90.2193     263.914     21.2688     263.914     
1 1 1 1  2  36 o 168.743 2.24003 53.1603      1.96193   51.4885      1.95647   144.781     171.785     4.77621     351.785     
1 1 1 1  2  37 f 57.7513 2.55553 6.47128      0.766372  5.85594      0.755023  51.7778     113.911     0           0           
1 1 1 1  2  38 o 113.546 2.28398 24.8291      1.35083   22.6622      1.33364   115.957     286.241     42.1238     286.241     
1 1 1 1  2  39 o 33.9986 3.30928 1.92049      0.556046  2.44957      0.574104  6.64948     36.9794     17.7318     216.979     
1 1 1 1  2  40 o 72.6934 2.46787 9.03506      0.921175  10.5291      0.929616  49.6434     62.6976     20.7326     242.698     
1 1 1 1  2  41 o 95.4763 2.70452 17.6221      1.34482   16.1769      1.32562   99.066      132.113     37.6666     132.113     
1 1 1 1  2  42 o 104.635 2.60303 21.5458      1.46388   19.0999      1.35602   99.0983     28.4686     21.8258     28.4686     
1 1 1 1  2  43 o 79.9056 2.79518 12.1093      1.16153   11.6973      1.14674   73.4054     184.96      14.456      184.96      
1 1 1 1  2  44 o 65.2933 2.54274 7.97054      0.856819  7.93201      0.857727  74.3322     18.9253     44.9512     18.9253     
1 1 1 1  2  45 o 17.8658 4.22274 0.668523     0.461579  0.50404      0.461413  0.178735    140.399     19.1982     320.399     
1 1 1 1  2  46 o 106.348 2.38702 20.6106      1.30834   21.6723      1.31971   100.338     196.405     23.9758     196.405     
1 1 1 1  2  47 o 56.026  3.1117  5.32706      0.88445   6.69743      0.899924  61.9206     226.912     34.3093     226.912     
1 1 1 1  2  48 o 41.1891 3.51914 3.09357      0.758952  3.519        0.703569  35.4648     351.074     5.71536     351.074     
1 1 1 1  2  49 o 41.3681 3.74333 2.38117      0.728395  4.53816      0.781721  37.0441     263.723     9.16946     263.723     
1 1 1 1  2  50 o 51.5167 2.82319 5.02854      0.742874  5.16498      0.753183  48.9963     357.634     16.22       357.634     
1 1 1 1  2  51 f 19.3901 4.02034 1.372        0.524772  0.0202675    0.499766  13.1645     279.021     0           0           
1 1 1 1  2  52 o 46.2472 3.10893 3.29037      0.7021    5.20279      0.744236  40.5729     197.205     8.93855     197.205     
1 1 1 1  2  53 o 64.1376 2.77653 7.32671      0.907805  8.70902      0.925107  48.4854     144.653     4.55493     324.653     
1 1 1 1  2  54 o 23.464  4.58121 1.22047      0.580087  1.25306      0.571151  13.9254     183.346     5.9129      3.34606     
1 1 1 1  2  55 o 27.7955 4.34936 2.15148      0.630298  1.34596      0.599851  15.0373     88.7677     11.4993     268.768     
1 1 1 1  2  56 o 10.099  3.37942 -0.837545    0.481841  -0.127848    0.481187  1.23698     144.801     11.877      144.801     
1 1 1 1  2  57 o 13.3807 4.02303 0.556407     0.541987  -0.381814    0.508191  2.07137     63.3024     10.1448     243.302     
1 1 1 1  2  58 o 20.2747 5.17245 0.925294     0.699889  1.27984      0.704687  12.6423     261.917     4.4339      261.917     
1 1 1 1  2  59 o 16.0187 4.7672  0.619726     0.639489  0.430021     0.719421  3.63555     106.189     12.8296     286.189     
1 1 1 1  2  60 o 12.2794 3.98255 -0.29806     0.622073  0.131116     0.551446  0.888847    180.407     3.85683     0.406585    
1 1 1 1  2  61 o 13.009  4.04011 0.648439     0.592141  -0.712014    0.567655  0.8919      34.4969     9.20483     214.497     
1 1 1 1  2  62 o 20.4727 5.18072 1.28821      0.686938  1.30199      0.706333  12.2179     273.432     1.92087     273.432     
1 1 1 1  2  63 o 14.4323 4.35626 -0.663798    0.626041  1.06098      0.67897   4.76446     38.5538     2.90994     218.554     
1 1 1 1  3  0  o 535.093 3.57347 525.107      9.90976   525.107      9.90976   742.393     270         454.701     270         
1 1 1 1  3  1  o 47.2842 2.34524 4.00276      0.625087  4.23736      0.50663   80.3574     40.0947     213.015     40.0947     
1 1 1 1  3  2  o 356.075 2.96636 235.065      6.01438   229.954      4.88978   389.998     204.894     110.113     204.894     
1 1 1 1  3  3  o 551.713 3.49017 553.206      10.4162   563.425      9.51742   603.577     164.823     155.233     164.823     
1 1 1 1  3  4  o 399.694 2.4262  297.549      5.02995   288.282      5.02267   515.14      178.777     279.881     178.777     
1 1 1 1  3  5  o 175.423 2.08124 56.4613      1.89189   56.3674      1.89313   197.529     275.579     116.79      275.579     
1 1 1 1  3  6  o 297.012 2.33153 164.685      3.591     158.814      3.58738   273.457     191.264     8.37812     11.2639     
1 1 1 1  3  7  o 399.205 2.43805 292.675      5.04597   291.734      5.04421   332.646     129.922     90.7792     309.922     
1 1 1 1  3  8  o 82.0978 1.88576 12.9914      0.802573  11.7626      0.79898   4.92424     292.279     126.458     292.279     
1 1 1 1  3  9  o 306.237 2.21759 175.032      3.52265   168.917      3.51703   269.371     144.802     33.8118     324.802     
1 1 1 1  3  10 o 443.269 2.58381 358.701      5.9338    362.119      5.93993   286.364     36.9526     267.516     216.953     
1 1 1 1  3  11 f 133.452 1.94589 32.62        1.34472   32.6922      1.34747   179.498     28.2151     0           0           
1 1 1 1  3  12 o 136.757 1.9583  35.8892      1.39039   32.7334      1.38413   43.2653     110.028     152.383     290.028     
1 1 1 1  3  13 o 316.4   2.27146 182.14       3.72256   185.02       3.72809   380.679     123.337     179.541     123.337     
1 1 1 1  3  14 o 263.134 2.24561 123.305      3.15382   130.655      2.96157   229.806     96.4794     24.2981     276.479     
1 1 1 1  3  15 o 501.257 3.00534 456.472      8.33227   465.128      7.23588   491.674     220.046     41.536      220.046     
1 1 1 1  3  16 o 396.484 2.58056 281.123      5.46119   295.406      5.1302    361.43      347.83      17.0318     167.83      
1 1 1 1  3  17 o 405.07  2.5197  301.828      5.29411   299.823      5.28718   406.262     108.778     58.9423     108.778     
1 1 1 1  3  18 f 826.56  4.01481 1271.04      16.6289   1235.76      17.7382   788.661     318.565     0           0           
1 1 1 1  3  19 o 330.015 2.83395 199.835      4.62831   199.57       5.05775   314.89      47.6447     23.0098     47.6447     
1 1 1 1  3  20 o 575.724 3.91953 611.483      10.4707   604.753      12.7942   504.418     80.2137     63.7717     260.214     
1 1 1 1  3  21 o 504.562 3.31948 479.821      7.92601   454.285      9.33675   378.22      19.7255     180.103     199.726     
1 1 1 1  3  22 o 316.365 2.83506 183.734      4.43041   183.377      4.85778   348.692     313.902     124.771     313.902     
1 1 1 1  3  23 o 375.256 2.65366 260.435      5.17011   256.095      5.15342   398.033     4.33146     111.444     4.33146     
1 1 1 1  3  24 o 295.916 2.38908 159.35       3.77926   161.847      3.54422   276.562     244.231     18.7827     244.231     
1 1 1 1  3  25 o 98.734  2.33026 16.6545      1.257     19.1912      1.10436   26.902      299.772     96.9588     119.772     
1 1 1 1  3  26 f 103.185 2.4674  19.4082      1.31775   19.7061      1.31787   129.242     290.938     0           0           
1 1 1 1  3  27 o 162.167 2.46152 48.7862      2.07146   47.738       2.06676   94.6438     258.281     94.3123     78.2807     
1 1 1 1  3  28 o 231.543 2.37951 100.121      2.86078   96.6925      2.85062   217.214     300.707     21.0262     300.707     
1 1 1 1  3  29 o 149.814 2.4882  41.8603      1.93374   40.5624      1.93051   132.522     253.854     2.12869     253.853     
1 1 1 1  3  30 o 217.862 2.37362 85.4953      2.67337   88.8178      2.68723   223.347     14.9458     57.6511     14.9457     
1 1 1 1  3  31 o 28.8222 3.25788 1.53687      0.473101  1.59578      0.467364  18.3279     32.4535     62.3246     32.4535     
1 1 1 1  3  32 o 84.4168 2.24791 12.8316      0.977397  13.3817      0.986215  45.0912     117.695     51.1502     297.695     
1 1 1 1  3  33 o 218.58  2.248   89.3537      2.55286   86.1604      2.54083   200.334     44.8798     13.9524     44.8798     
1 1 1 1  3  34 o 82.7143 2.29705 13.2294      0.987931  11.9616      0.976619  80.1644     232.751     30.2413     232.751     
1 1 1 1  3  35 o 64.0895 2.45038 6.67412      0.798296  8.52521      0.816356  31.8353     140.662     39.8481     320.662     
1 1 1 1  3  36 o 184.542 2.24935 60.9969      2.14424   64.189       2.15845   203.967     322.754     87.3071     322.754     
1 1 1 1  3  37 o 78.4497 2.38168 12.0986      0.972869  10.6029      0.957367  57.6315     318.83      13.0767     138.83      
1 1 1 1  3  38 o 94.691  2.32177 17.5839      1.1466    15.4825      1.12683   68.845      276.9       20.404      96.8997     
1 1 1 1  3  39 o 48.07   2.72735 4.34805      0.673982  4.23093      0.673694  31.9801     156.757     7.94712     156.757     
1 1 1 1  3  40 o 100.293 2.33339 18.9771      1.21132   18.1535      1.21108   90.8829     250.565     12.986      250.565     
1 1 1 1  3  41 o 79.2753 2.76865 11.2677      1.12819   12.0692      1.13953   72.5968     268.198     12.963      268.198     
1 1 1 1  3  42 o 31.0875 3.42209 1.97896      0.533469  1.7162       0.531592  10.2725     211.355     4.3349      211.355     
1 1 1 1  3  43 o 29.1046 4.20154 1.22543      0.606545  2.13637      0.620437  12.562      281.734     14.2139     101.734     
1 1 1 1  3  44 o 14.1875 3.65418 0.714783     0.452217  -0.537475    0.408386  10.8961     100.996     36.3889     100.996     
1 1 1 1  3  45 o 32.4324 3.44346 2.4746       0.561108  1.63146      0.544737  27.0815     209.801     9.93004     209.801     
1 1 1 1  3  46 o 37.5509 3.14732 2.3103       0.587966  3.12771      0.60215   35.0701     64.8598     13.2812     64.8598     
1 1 1 1  3  47 o 64.1251 3.0045  7.93684      0.991264  7.71077      0.994615  69.4036     106.156     34.9854     106.156     
1 1 1 1  3  48 o 49.4004 2.88169 3.86262      0.709427  5.51282      0.738228  27.9635     290.842     24.1626     110.842     
1 1 1 1  3  49 o 32.0849 4.25844 2.19435      0.672467  2.00535      0.690996  19.6946     105.862     10.3062     285.862     
1 1 1 1  3  50 o 36.2691 3.44067 2.55697      0.617738  2.64492      0.643395  26.4603     269.185     3.50733     89.185      
1 1 1 1  3  51 o 10.7862 3.50496 -0.333233    0.449045  -0.194493    0.449407  0.608786    151.923     6.921       151.923     
1 1 1 1  3  52 o 56.9066 2.80216 6.44586      0.82133   6.09526      0.820938  51.0007     262.583     12.1915     262.583     
1 1 1 1  3  53 o 15.5301 4.11258 0.808952     0.515907  -0.166674    0.48419   3.10653     68.8052     0.372489    68.8052     
1 1 1 1  3  54 o 22.7793 4.5347  1.00413      0.558135  1.32947      0.565788  10.33       220.368     12.5144     40.3684     
1 1 1 1  3  55 o 19.1246 4.59989 0.972156     0.554649  0.677367     0.545731  12.064      348.807     0.626574    168.807     
1 1 1 1  3  56 o 16.265  4.25882 0.00330307   0.528518  0.928286     0.528094  4.69636     225.033     11.9549     45.0328     
1 1 1 1  3  57 o 13.1444 4.10112 0.487808     0.608053  -0.534169    0.544062  2.43354     172.282     6.83225     352.282     
1 1 1 1  3  58 o 10.5254 3.54762 -0.749577    0.540566  -0.196397    0.543009  0.10776     261.072     4.48507     81.0718     
1 1 1 1  3  59 o 21.1168 5.16754 1.173        0.680306  1.34035      0.698797  14.1667     249.833     5.37025     249.833     
1 1 1 1  3  60 o 16.417  4.70687 0.998172     0.662567  0.223562     0.637796  5.67282     200.408     1.90545     20.4082     
1 1 1 1  3  61 o 17.0032 4.69083 0.998651     0.611637  0.459026     0.618791  6.05484     11.5021     0.765631    191.502     
1 1 1 1  3  62 o 16.1517 4.53967 -0.35968     0.644988  1.35131      0.682907  6.28495     84.8223     2.28961     264.822     
1 1 1 1  3  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  4  0  f 505.143 2.73286 467.845      7.15494   467.845      7.15494   382.228     90          0           0           
1 1 1 1  4  1  o 313.313 2.44171 183.324      4.12631   176.663      3.80315   328.804     164.724     72.2891     164.724     
1 1 1 1  4  2  o 203.543 2.31202 77.5304      2.64782   74.3967      2.22016   165.492     212.992     38.7794     32.9923     
1 1 1 1  4  3  o 454.885 2.6712  378.605      6.50756   380.223      6.08134   525.999     212.894     191.081     212.894     
1 1 1 1  4  4  o 140.105 1.88865 35.9694      1.37148   35.9987      1.37178   48.2488     352.394     150.29      172.394     
1 1 1 1  4  5  o 390.595 2.57639 281.721      5.21705   277.786      5.21552   369.483     42.6339     1.09221     42.6346     
1 1 1 1  4  6  o 292.498 2.32245 156.353      3.51935   157.386      3.52318   226.96      90.6284     93.6416     270.628     
1 1 1 1  4  7  o 364.439 2.34699 243.901      4.43348   243.181      4.43395   374.172     150.908     63.8205     150.908     
1 1 1 1  4  8  o 511.14  2.77337 479.246      7.34884   479.218      7.34749   506.424     126.585     43.7636     126.585     
1 1 1 1  4  9  o 174.087 1.97415 54.079       1.77966   57.0805      1.78235   79.9289     225.746     154.822     45.7465     
1 1 1 1  4  10 o 118.604 1.92162 25.9558      1.18192   25.6312      1.18084   50.8886     55.5305     93.6735     235.531     
1 1 1 1  4  11 o 365.579 2.37591 243.213      4.50045   247.029      4.50411   319.15      290.542     47.3973     110.542     
1 1 1 1  4  12 o 297.67  2.21661 165.333      3.42334   159.656      3.41644   280.621     183.755     9.83533     183.756     
1 1 1 1  4  13 o 334.494 2.31145 206.619      4.0091    203.701      4.00635   237.329     30.6625     150.495     210.663     
1 1 1 1  4  14 o 124.509 2.03656 27.8028      1.26785   29.0444      1.36087   51.8895     109.429     104.896     289.429     
1 1 1 1  4  15 o 334.855 2.32408 203.924      4.03137   207.217      4.03653   241.628     60.6882     140.19      240.688     
1 1 1 1  4  16 o 314.578 2.28839 183.21       3.73272   179.634      3.73012   321.358     162.275     63.9767     162.275     
1 1 1 1  4  17 o 211.203 2.09737 81.9152      2.29492   81.6287      2.29744   210.386     217.077     47.7385     217.077     
1 1 1 1  4  18 o 394.359 2.66905 285.494      5.45421   284.798      5.45788   366.213     162.398     1.48909     162.399     
1 1 1 1  4  19 o 545.925 3.38947 539.547      9.57735   553.76       9.60518   492.197     223.3       32.5301     43.3001     
1 1 1 1  4  20 o 270.761 2.2255  129.856      3.11229   139.033      3.13268   242.197     221.238     6.45737     41.2383     
1 1 1 1  4  21 o 345.241 2.67364 215.483      4.95292   221.675      4.60449   359.903     91.0838     89.861      91.0838     
1 1 1 1  4  22 o 225.388 2.80832 90.8945      3.57004   95.4717      2.94525   182.608     68.2351     36.7859     248.235     
1 1 1 1  4  23 o 272.863 2.51122 134.027      3.67329   139.094      3.42038   293.754     138.278     100.373     138.278     
1 1 1 1  4  24 o 121.123 2.18017 26.7493      1.32641   27.0784      1.40919   80.6089     148.318     25.552      328.318     
1 1 1 1  4  25 o 226.628 2.27066 95.3433      2.57969   93.0772      2.75013   190.192     0.531475    20.969      180.531     
1 1 1 1  4  26 o 70.0223 2.69287 9.03279      0.931622  9.0178       1.01397   10.8081     315.032     117.804     315.032     
1 1 1 1  4  27 f 133.181 2.29291 31.7715      1.46642   33.3539      1.69452   132.851     110.382     0           0           
1 1 1 1  4  28 o 24.1755 3.716   0.92123      0.422105  1.32748      0.485712  34.4185     316.204     82.1695     316.204     
1 1 1 1  4  29 o 56.809  2.74018 6.07903      0.800955  5.83358      0.802884  31.896      126.559     7.27525     306.559     
1 1 1 1  4  30 o 142.48  2.49579 38.3484      1.85155   36.2596      1.83287   144.019     294.242     39.9773     294.242     
1 1 1 1  4  31 o 59.2783 2.46757 6.24317      0.778041  6.71539      0.728092  34.3092     185.084     14.5651     5.08386     
1 1 1 1  4  32 o 74.6267 2.46512 10.6948      1.01887   9.82283      0.882622  65.0956     333.144     21.7259     333.144     
1 1 1 1  4  33 o 218.725 2.32699 86.7149      2.71724   89.0593      2.55427   228.79      342.585     72.0092     342.585     
1 1 1 1  4  34 o 81.9271 2.37217 12.0497      1.03677   12.6604      0.970482  37.344      209.844     63.3012     29.8435     
1 1 1 1  4  35 o 27.3148 3.64547 1.78533      0.504061  1.09102      0.48612   47.5498     144.956     134.85      144.956     
1 1 1 1  4  36 o 63.7635 2.46554 7.43865      0.807334  7.55936      0.816312  40.013      212.265     21.1964     32.2645     
1 1 1 1  4  37 f 240.724 2.31808 106.41       2.89488   106.716      2.89019   152.515     111.499     0           0           
1 1 1 1  4  38 o 131.368 2.26624 33.5058      1.55469   30.0652      1.52831   115.976     8.53729     8.61135     8.53729     
1 1 1 1  4  39 o 109.72  2.2955  23.1158      1.31116   21.283       1.29595   87.6127     85.7199     10.3883     265.72      
1 1 1 1  4  40 o 38.1457 3.49077 2.51341      0.668691  2.99173      0.675069  9.95137     79.1709     38.5191     259.171     
1 1 1 1  4  41 o 77.2026 2.76543 10.6368      1.10356   11.5123      1.10112   68.2658     260.374     8.00216     260.374     
1 1 1 1  4  42 f 25.7224 3.79157 1.08066      0.491285  1.50249      0.487734  54.8499     244.418     0           0           
1 1 1 1  4  43 o 45.9878 3.16728 4.22697      0.716842  3.76141      0.767056  35.7973     70.7561     0.0494234   250.755     
1 1 1 1  4  44 o 60.6254 2.7723  7.14956      0.871735  6.63914      0.860768  53.9821     195.137     9.62618     195.137     
1 1 1 1  4  45 o 9.33067 3.08829 -0.585376    0.358548  -0.182436    0.39412   1.87498     158.433     5.13459     158.433     
1 1 1 1  4  46 o 61.1731 2.98195 6.62608      0.932369  7.59619      0.944293  57.0464     142.232     14.6253     142.232     
1 1 1 1  4  47 o 73.365  2.70476 10.6401      1.03691   9.70007      1.01247   61.3047     170.161     2.26894     170.161     
1 1 1 1  4  48 o 47.3771 2.88855 4.92011      0.713351  3.69426      0.683176  44.1897     42.6556     12.868      42.6556     
1 1 1 1  4  49 o 34.5987 3.88236 2.22635      0.691235  2.57632      0.647437  34.6259     59.5203     17.9184     59.5203     
1 1 1 1  4  50 o 20.3101 4.60986 1.08053      0.568062  0.599035     0.556612  7.95332     302.269     12.5007     122.269     
1 1 1 1  4  51 o 22.9926 4.32432 1.00054      0.522314  1.23873      0.529839  6.85243     4.1737      20.2847     184.174     
1 1 1 1  4  52 o 27.9201 4.09648 1.14761      0.565711  2.18044      0.588422  19.8003     309.284     1.55236     129.284     
1 1 1 1  4  53 o 23.3946 4.49395 1.31572      0.563435  1.09601      0.557692  15.8794     78.9158     1.15197     258.916     
1 1 1 1  4  54 o 14.3559 3.98344 0.724589     0.510781  -0.400943    0.481141  5.27477     131.341     4.70146     311.341     
1 1 1 1  4  55 o 39.0376 3.52039 2.68255      0.67708   3.73698      0.697787  34.3767     145.666     9.49496     145.666     
1 1 1 1  4  56 o 20.6154 3.87444 1.91693      0.577687  -0.174914    0.53355   13.8547     79.4339     0.604973    79.4339     
1 1 1 1  4  57 o 30.385  4.97469 2.18379      0.760643  2.42748      0.776363  18.4602     15.0878     7.34093     195.088     
1 1 1 1  4  58 o 17.7867 4.61929 0.793948     0.565062  0.757756     0.551972  8.50488     230.034     4.48263     50.0337     
1 1 1 1  4  59 o 26.4123 4.91039 2.0917       0.713872  1.61879      0.652858  20.8278     337.875     6.48787     337.875     
1 1 1 1  4  60 o 11.7065 3.89036 0.0925266    0.60166   -0.778337    0.649133  0.123673    89.6069     7.64961     89.6069     
1 1 1 1  4  61 o 12.3131 3.98116 0.0658455    0.560549  -0.0622365   0.579256  0.808368    358.103     3.779       178.103     
1 1 1 1  4  62 o 16.1163 4.77706 0.810736     0.671393  0.54171      0.681076  5.74071     229.189     0.517977    49.1889     
1 1 1 1  4  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  5  0  o 5.89677 2.37949 0.0815843    0.114125  0.0815843    0.114125  94.0825     270         188.889     270         
1 1 1 1  5  1  o 127.319 2.00222 29.7452      1.32135   29.6904      1.32144   72.3334     143.93      66.6581     323.93      
1 1 1 1  5  2  o 222.042 2.23426 89.842       2.66967   90.9492      2.46823   231.838     270.648     63.7677     270.648     
1 1 1 1  5  3  o 388.064 2.3998  279.243      4.83025   273.04       4.82408   404.146     283.716     77.6434     283.716     
1 1 1 1  5  4  o 444.559 2.55877 362.004      5.89512   362.846      5.89779   302.623     113.742     238.409     293.742     
1 1 1 1  5  5  f 335.247 2.33047 211.727      4.19311   200.533      3.90707   281.978     125.408     0           0           
1 1 1 1  5  6  o 525.507 3.00623 499.84       8.18107   513.482      8.19601   476.87      169.766     43.3515     349.766     
1 1 1 1  5  7  o 205.093 2.00468 77.705       2.13231   76.5543      2.13006   191.838     152.562     15.9867     152.562     
1 1 1 1  5  8  o 232.794 2.06064 100.961      2.48838   97.8026      2.48438   151.516     205.552     126.35      25.5524     
1 1 1 1  5  9  o 114.743 1.89258 25.4353      1.12743   22.8802      1.12184   65.1147     73.9908     47.0244     253.991     
1 1 1 1  5  10 o 190.366 2.07493 66.358       2.11492   66.5444      1.97758   119.257     63.8081     105.425     243.808     
1 1 1 1  5  11 o 317.844 2.25817 184.571      3.71867   185.933      3.72231   281.325     181.398     28.6412     1.39761     
1 1 1 1  5  12 o 455.68  2.62544 379.384      6.19906   382.195      6.20378   459.837     84.9837     64.5844     84.9837     
1 1 1 1  5  13 o 180.589 2.01526 61.8021      1.88857   57.8041      1.88299   202.047     211.927     108.638     211.927     
1 1 1 1  5  14 o 239.16  2.11844 104.857      2.62512   104.854      2.62738   224.695     221.382     16.3776     221.382     
1 1 1 1  5  15 o 175.405 2.02573 55.8245      1.84071   56.9777      1.84286   158.33      25.7932     14.3544     25.7932     
1 1 1 1  5  16 o 292.501 2.23971 156.377      3.39387   157.315      3.39785   189.585     149.54      160.814     329.54      
1 1 1 1  5  17 o 158.718 2.03762 45.3035      1.67243   47.0647      1.68007   116.368     76.668      39.1625     256.668     
1 1 1 1  5  18 o 337.389 2.71721 209.083      4.74964   208.356      4.75452   253.152     303.549     116.163     123.549     
1 1 1 1  5  19 o 144.627 2.28035 38.661       1.7735    38.0378      1.64413   108.968     125.534     20.3253     305.534     
1 1 1 1  5  20 o 206.873 2.12693 79.2571      2.28383   77.6671      2.27765   183.854     188.93      3.62243     188.93      
1 1 1 1  5  21 o 150.891 2.1603  41.5553      1.74409   41.9334      1.63294   142.629     211.824     87.9356     211.824     
1 1 1 1  5  22 o 422.228 2.77803 331.231      6.08247   322.782      6.07715   428.498     185.36      83.6672     185.36      
1 1 1 1  5  23 f 195.769 2.28871 71.1181      2.32481   69.4595      2.3201    121.724     290.326     0           0           
1 1 1 1  5  24 o 265.211 2.24917 128.554      3.09037   129.458      3.09368   237.603     148.593     0.549939    148.592     
1 1 1 1  5  25 o 198.587 2.48721 72.5745      2.56088   72.1413      2.55975   233.826     33.415      137.15      33.4151     
1 1 1 1  5  26 o 74.7248 2.54408 9.8832       0.981173  10.6674      0.982845  14.8427     285.041     4.4         105.041     
1 1 1 1  5  27 o 197.018 2.24545 71.1996      2.36816   71.2616      2.2156    208.726     202.865     71.9102     202.865     
1 1 1 1  5  28 o 130.77  2.22242 29.1719      1.53697   33.7016      1.4622    136.131     14.8764     49.9429     14.8764     
1 1 1 1  5  29 o 97.0114 2.52589 18.9006      1.38388   15.7839      1.15472   69.5034     151.674     25.7836     331.674     
1 1 1 1  5  30 o 148.91  2.52944 42.0692      2.11485   39.446       1.78316   164.297     151.668     70.4963     151.668     
1 1 1 1  5  31 o 174.361 2.27361 55.4644      1.98242   56.2009      2.1258    166.215     53.0956     25.7193     53.0956     
1 1 1 1  5  32 o 292.593 2.44273 157.044      3.58002   157.542      3.82593   319.9       7.03806     120.137     7.03806     
1 1 1 1  5  33 o 203.786 2.40557 75.2609      2.3549    77.3546      2.7188    178.157     39.6053     2.72437     219.605     
1 1 1 1  5  34 o 84.9698 2.45701 12.9777      1.00354   13.6087      1.15404   79.79       27.535      21.7496     27.535      
1 1 1 1  5  35 o 208.96  2.44691 83.289       2.46575   77.3089      2.80822   179.886     29.8166     6.33438     209.817     
1 1 1 1  5  36 o 201.626 2.34016 75.1744      2.37063   74.3144      2.51783   159.331     338.715     32.8672     158.715     
1 1 1 1  5  37 o 190.997 2.41733 67.2882      2.40064   66.9611      2.38591   185.585     233.871     41.1812     233.871     
1 1 1 1  5  38 o 64.2818 2.58301 7.72766      0.89346   7.55018      0.81995   42.9497     86.3993     15.3484     266.399     
1 1 1 1  5  39 o 37.8569 3.18034 3.38947      0.634132  2.07122      0.571241  6.80211     124.77      72.0837     124.77      
1 1 1 1  5  40 o 52.3588 3.11997 4.94671      0.868691  5.29735      0.804285  50.9761     198.724     21.8814     198.724     
1 1 1 1  5  41 f 130.052 2.30133 31.5083      1.56016   31.007       1.54147   109.912     291.064     0           0           
1 1 1 1  5  42 o 58.7355 2.55265 6.46325      0.777143  6.37962      0.769717  44.0294     320.403     7.53145     140.403     
1 1 1 1  5  43 o 13.8235 3.80536 0.515766     0.446536  -0.276456    0.420156  10.0773     110.783     32.2871     110.783     
1 1 1 1  5  44 o 31.8096 3.91125 1.80691      0.599926  2.15815      0.643031  16.2626     1.63196     15.2151     181.632     
1 1 1 1  5  45 o 19.8939 4.09868 1.01707      0.467201  0.535646     0.453356  7.29937     143.821     3.65862     323.821     
1 1 1 1  5  46 o 34.8798 3.79127 2.89755      0.675867  1.93156      0.63738   20.1283     12.0271     14.552      192.027     
1 1 1 1  5  47 o 18.5046 4.02169 0.176262     0.458881  1.07885      0.479044  9.59915     51.5065     0.235171    231.507     
1 1 1 1  5  48 o 24.737  3.96788 0.755816     0.50809   1.76893      0.516437  7.44628     8.84755     22.8302     188.848     
1 1 1 1  5  49 o 51.5641 3.0642  5.25721      0.811159  5.01931      0.81133   44.0531     123.333     5.85086     123.333     
1 1 1 1  5  50 o 38.2744 3.74035 2.60931      0.736721  3.27798      0.68924   32.7344     293.837     6.4319      293.837     
1 1 1 1  5  51 o 13.7758 4.00286 -0.0969867   0.480103  0.388077     0.471282  2.33887     83.8301     3.18677     263.83      
1 1 1 1  5  52 o 20.4377 4.15248 0.254605     0.527449  1.43411      0.527019  13.5747     134.898     5.3345      134.898     
1 1 1 1  5  53 o 17.1435 4.31055 0.934407     0.534325  0.159558     0.496658  6.7938      179.278     2.3358      179.278     
1 1 1 1  5  54 o 23.439  4.52695 1.50693      0.585338  0.998263     0.560673  14.1558     294.896     5.37146     114.896     
1 1 1 1  5  55 o 28.4959 4.23763 2.39825      0.620684  1.30947      0.601425  27.7331     43.2323     16.0695     43.2323     
1 1 1 1  5  56 o 13.0225 3.90094 -0.618637    0.503072  0.568811     0.522735  2.91372     115.478     3.54938     295.478     
1 1 1 1  5  57 o 17.6541 4.77297 0.249404     0.625537  1.13159      0.662213  4.49677     180.058     1.64032     180.058     
1 1 1 1  5  58 o 11.7411 3.78788 0.123607     0.534434  -0.311763    0.496791  1.23986     178.781     6.29195     358.781     
1 1 1 1  5  59 o 14.7438 4.34489 0.175183     0.581087  0.606106     0.549415  4.21079     166.724     2.70968     346.724     
1 1 1 1  5  60 o 14.063  4.45807 0.128039     0.674505  0.312888     0.672713  1.58928     122.397     2.318       302.397     
1 1 1 1  5  61 o 13.574  4.14408 -1.04772     0.61842   0.880723     0.632361  2.37978     59.2734     5.84896     239.273     
1 1 1 1  5  62 o 18.3777 4.90711 1.10465      0.64802   0.900303     0.632849  8.29498     104.824     5.4897      284.824     
1 1 1 1  5  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  6  0  o 236.073 2.36335 102.23       2.89073   102.23       2.89073   259.759     90          68.2458     90          
1 1 1 1  6  1  o 131.94  2.01337 30.2456      1.37337   33.6367      1.37794   4.93247     127.228     244.1       127.228     
1 1 1 1  6  2  o 203.245 1.98432 74.6372      2.08921   76.8536      2.0916    252.229     248.307     176.53      248.307     
1 1 1 1  6  3  o 161.897 1.9203  48.2264      1.61179   47.8905      1.61127   103.361     239.564     78.9897     59.5639     
1 1 1 1  6  4  o 365.61  2.34042 244.611      4.43482   245.691      4.43619   308.828     252.228     69.5722     72.228      
1 1 1 1  6  5  o 171.779 2.07933 54.5181      1.85164   53.7043      1.85129   76.342      356.695     157.032     176.695     
1 1 1 1  6  6  o 239.395 2.20537 103.164      2.73319   107.058      2.73964   224.22      227.142     11.5857     227.142     
1 1 1 1  6  7  o 263.417 2.1794  124.26       2.86965   130.272      3.08203   208.577     226.719     69.9041     46.7194     
1 1 1 1  6  8  o 130.286 1.91142 31.5465      1.29127   30.7021      1.29031   104.67      177.687     11.7127     177.687     
1 1 1 1  6  9  o 120.787 1.91627 28.4576      1.20167   25.0931      1.19478   43.7943     25.2068     114.494     205.207     
1 1 1 1  6  10 o 368.107 2.37791 251.015      4.54194   245.939      4.53245   407.953     162.027     131.591     162.027     
1 1 1 1  6  11 o 378.748 2.49492 262.443      5.06016   263.624      4.72993   367.613     15.2691     28.8977     15.2691     
1 1 1 1  6  12 o 181.426 2.01202 61.3918      1.8939    59.2988      1.8901    183.369     265.524     56.6288     265.524     
1 1 1 1  6  13 o 259.556 2.14939 127.017      2.8963    120.037      2.88597   310.06      37.3018     156.071     37.3018     
1 1 1 1  6  14 f 297.402 2.23913 160.347      3.44978   163.954      3.45366   294.055     337.075     0           0           
1 1 1 1  6  15 o 456.737 2.64728 382.192      6.26718   382.76       6.26787   448.059     340.725     45.6933     340.725     
1 1 1 1  6  16 o 125.284 2.00305 27.5853      1.2975    29.9862      1.30266   77.2067     7.78459     45.7561     187.785     
1 1 1 1  6  17 o 508.209 3.12582 473.877      8.53622   473.422      7.92158   539.381     279.817     135.277     279.817     
1 1 1 1  6  18 o 171.202 2.3745  54.0612      2.10883   53.4156      2.10559   73.159      309.428     156.577     129.428     
1 1 1 1  6  19 o 57.4604 2.2439  5.04989      0.651655  7.18858      0.666153  32.5005     137.214     120.548     137.214     
1 1 1 1  6  20 o 514.79  2.8491  483.196      7.59531   488.864      7.61003   553.069     22.4414     157.236     22.4414     
1 1 1 1  6  21 o 308.952 2.31685 175.682      3.70942   174.378      3.71132   371.18      43.7317     189.37      43.7317     
1 1 1 1  6  22 o 417.838 2.76594 318.752      5.98441   321.793      5.99704   460.379     316.215     159.057     316.215     
1 1 1 1  6  23 o 307.552 2.59468 174.757      3.96971   172.292      4.29442   221.528     11.9056     114.267     191.906     
1 1 1 1  6  24 o 131.868 2.25104 32.4658      1.54308   31.3341      1.53411   53.1291     338.42      115.687     158.42      
1 1 1 1  6  25 o 53.8387 2.70663 4.81493      0.743859  5.90754      0.751378  19.3813     165.038     93.3257     165.038     
1 1 1 1  6  26 o 223.69  2.20066 90.4292      2.5487    93.206       2.55437   230.471     217.767     64.9864     217.767     
1 1 1 1  6  27 o 80.2716 2.20461 12.0404      0.918144  11.647       0.912908  49.7021     166.661     25.1819     166.661     
1 1 1 1  6  28 o 31.1881 2.96951 2.10445      0.466801  1.55591      0.460211  2.34245     143.287     12.2957     143.287     
1 1 1 1  6  29 o 147.52  2.29977 41.5016      1.76698   38.443       1.74893   100.685     359.824     59.0337     179.824     
1 1 1 1  6  30 o 38.5207 3.2192  2.3811       0.617389  3.18447      0.63322   24.7058     258.451     104.362     258.451     
1 1 1 1  6  31 o 138.83  2.32742 34.1633      1.66819   36.6618      1.68044   162.212     232.073     88.9321     232.073     
1 1 1 1  6  32 o 67.7744 2.31879 8.41725      0.811819  8.4977       0.81259   54.1727     191.396     9.66834     191.396     
1 1 1 1  6  33 o 59.3156 2.43756 5.50921      0.730274  7.54516      0.750802  41.5103     161.292     2.49141     341.292     
1 1 1 1  6  34 o 134.567 2.28768 33.2119      1.64613   33.333       1.54352   158.872     141.561     89.0909     141.561     
1 1 1 1  6  35 o 39.2763 3.10983 3.74876      0.637303  2.1229       0.578745  12.6111     264.254     18.3781     84.2542     
1 1 1 1  6  36 f 64.8104 2.51486 8.2457       0.874191  7.27234      0.809395  28.2921     347.978     0           0           
1 1 1 1  6  37 o 100.476 2.43894 18.7546      1.26779   18.4581      1.2689    94.6263     327.091     23.4207     327.091     
1 1 1 1  6  38 o 52.8673 2.69431 5.04471      0.705823  5.32124      0.761007  38.9182     27.0027     1.51882     27.0027     
1 1 1 1  6  39 o 16.2846 4.12078 0.717447     0.481078  -0.0257129   0.476728  12.017      272.468     35.5576     272.468     
1 1 1 1  6  40 o 49.9456 3.39961 5.03438      0.789133  4.34836      0.926377  20.6248     203.031     40.3158     23.0307     
1 1 1 1  6  41 o 38.5164 3.22668 2.05604      0.573472  3.66421      0.669117  31.5609     155.052     10.9912     155.052     
1 1 1 1  6  42 o 11.6924 3.40026 -0.737549    0.377239  0.3875       0.408316  11.3585     182.559     30.1093     182.559     
1 1 1 1  6  43 o 51.3263 2.88519 4.79309      0.764999  5.11419      0.756569  35.0629     323.875     12.5997     143.875     
1 1 1 1  6  44 o 78.552  3.12979 11.7996      1.27728   11.5195      1.2612    77.0619     246.189     24.9095     246.189     
1 1 1 1  6  45 o 45.9787 3.85547 3.46028      0.942153  4.81433      0.792909  40.1634     47.3141     7.40829     47.3141     
1 1 1 1  6  46 o 22.1459 4.37272 0.666709     0.537906  1.30838      0.53882   8.37682     220.085     15.1183     40.0847     
1 1 1 1  6  47 o 12.3432 3.77724 0.0485625    0.470011  -0.0678      0.417937  0.659961    217.862     4.75034     37.8616     
1 1 1 1  6  48 o 44.9084 2.92756 4.14603      0.685525  3.60844      0.660899  27.3443     135.068     17.2187     315.068     
1 1 1 1  6  49 o 67.1062 2.71027 7.41133      0.890293  9.87782      0.983453  57.7594     40.7935     7.56322     40.7935     
1 1 1 1  6  50 o 23.1887 4.90037 1.09061      0.633105  1.22367      0.636742  14.7411     227.12      2.48792     47.1202     
1 1 1 1  6  51 o 19.1722 4.47278 0.64389      0.51611   0.869194     0.521809  10.8462     127.611     1.01005     307.611     
1 1 1 1  6  52 o 14.232  4.08729 0.443924     0.492223  0.00788505   0.475018  4.22714     32.0212     4.74964     212.021     
1 1 1 1  6  53 o 10.0387 3.30384 -0.981096    0.442229  0.0179795    0.446701  0.135567    310.611     6.09187     310.611     
1 1 1 1  6  54 o 14.3449 4.04278 -0.283289    0.500767  0.667089     0.504977  1.22067     231.025     21.9937     231.025     
1 1 1 1  6  55 o 59.2758 2.95161 7.84074      0.901469  6.39154      0.8927    56.516      153.465     21.7476     153.465     
1 1 1 1  6  56 o 23.191  5.31214 1.4852       0.695837  1.3523       0.772266  15.667      301.645     0.586926    301.645     
1 1 1 1  6  57 o 23.9826 4.72851 1.38996      0.596781  1.5126       0.623139  13.8125     151.485     5.68233     331.485     
1 1 1 1  6  58 o 46.2383 3.47334 4.85374      0.821206  4.51675      0.817192  50.2522     110.184     33.1561     110.184     
1 1 1 1  6  59 o 14.0035 4.26702 0.360581     0.564021  0.237064     0.561984  1.71885     170.423     11.3091     350.423     
1 1 1 1  6  60 o 15.5637 4.64393 0.825026     0.638637  0.034473     0.72844   4.14309     345.63      6.01317     165.63      
1 1 1 1  6  61 o 13.5835 4.32101 0.589747     0.688979  -0.282817    0.613154  2.54931     226.373     5.46885     46.3732     
1 1 1 1  6  62 o 10.4841 3.54452 -0.671328    0.553805  -0.124766    0.546297  0.156167    184.584     7.46799     184.584     
1 1 1 1  7  0  o 192.735 2.28099 68.1593      2.27741   68.1593      2.27741   86.4771     270         194.258     90          
1 1 1 1  7  1  o 93.9443 2.00173 16.2591      0.973534  16.1366      0.973795  6.49113     309.007     162.767     309.007     
1 1 1 1  7  2  o 67.3657 1.95148 7.99769      0.701337  8.67963      0.655051  24.3653     143.089     129.945     143.089     
1 1 1 1  7  3  o 31.6137 2.04102 1.72845      0.32945   1.97141      0.330964  36.8888     34.2209     84.1054     34.2209     
1 1 1 1  7  4  o 280.227 2.21562 147.424      3.33293   140.631      3.1038    292.048     50.4639     69.3822     50.4639     
1 1 1 1  7  5  o 413.25  2.64483 317.644      5.66998   308.877      5.66041   380.835     133.877     14.0216     313.877     
1 1 1 1  7  6  o 257.276 2.24815 120.622      2.99734   122.135      2.99892   272.994     191.36      78.286      191.36      
1 1 1 1  7  7  o 52.7144 2.00325 4.82641      0.524922  5.40062      0.566077  3.9516      22.838      14.302      22.838      
1 1 1 1  7  8  o 317.519 2.23936 185.957      3.68699   183.751      3.68439   314.093     265.696     40.7071     265.696     
1 1 1 1  7  9  o 411.705 2.48849 308.151      5.30802   313.452      5.31315   368.006     231.351     34.172      51.3506     
1 1 1 1  7  10 o 265.396 2.14128 131.286      2.94826   126.985      2.94275   206.515     9.45747     74.8639     189.457     
1 1 1 1  7  11 f 322.302 2.26746 188.241      3.78523   192.649      3.79085   248.041     274.091     0           0           
1 1 1 1  7  12 o 19.4759 2.94413 0.701502     0.298741  0.742587     0.277605  53.7652     1.72051     112.469     1.72051     
1 1 1 1  7  13 o 411.599 2.59775 309.927      5.72805   311.287      5.34955   353.445     103.679     58.9854     283.679     
1 1 1 1  7  14 o 185.015 2.03539 61.3119      1.94867   64.2044      1.95475   48.0598     255.976     237.774     75.976      
1 1 1 1  7  15 o 264.46  2.17224 129.763      2.98035   126.676      2.97503   288.806     143.743     102.756     143.743     
1 1 1 1  7  16 o 547.876 3.12903 540.82       8.86875   560.23       8.90239   596.843     166.059     176.621     166.059     
1 1 1 1  7  17 o 194.311 2.3941  70.8694      2.4144    67.5998      2.40755   193.553     230.772     52.829      230.772     
1 1 1 1  7  18 o 606.089 3.33596 676.701      10.4888   670.958      10.4724   590.591     305.597     58.0814     305.597     
1 1 1 1  7  19 o 469.066 2.70465 401.516      6.57322   405.484      6.5791    428.631     239.8       6.71624     59.8002     
1 1 1 1  7  20 o 142.166 2.0658  36.7354      1.52193   37.3803      1.52269   89.6162     50.9394     61.6866     50.9394     
1 1 1 1  7  21 o 116.318 2.08266 24.4669      1.25292   25.1707      1.25735   16.8699     88.5358     231.472     88.5358     
1 1 1 1  7  22 o 167.956 2.25169 51.7182      1.95945   51.7561      1.96126   169.541     312.849     65.062      312.849     
1 1 1 1  7  23 o 189.953 2.46813 67.6141      2.4365    64.7951      2.42338   176.427     45.6817     26.7751     45.6817     
1 1 1 1  7  24 o 80.2076 2.73839 12.0304      1.13805   11.6425      1.13212   21.7751     350.507     4.68294     170.507     
1 1 1 1  7  25 o 257.154 2.5812  119.422      3.43495   123.367      3.44591   209.912     55.5383     41.4903     235.538     
1 1 1 1  7  26 o 99.6096 2.13769 18.8531      1.10744   17.6049      1.09689   52.8818     21.9877     60.8046     201.988     
1 1 1 1  7  27 o 112.39  2.1393  22.7555      1.24088   23.6462      1.24929   48.2502     353.406     100.489     173.406     
1 1 1 1  7  28 o 204.915 2.1922  75.1206      2.32086   79.068       2.33545   170.776     356.382     23.9748     176.382     
1 1 1 1  7  29 o 188.678 2.43162 65.5455      2.2828    65.2304      2.46944   138.483     207.129     58.0516     27.1286     
1 1 1 1  7  30 o 237.528 2.50802 105.853      3.21653   101.497      2.95844   246.418     59.6574     71.9356     59.6574     
1 1 1 1  7  31 o 74.703  2.46277 9.12037      0.934356  11.5004      0.960719  61.3585     70.2456     7.71518     70.2456     
1 1 1 1  7  32 o 31.8676 3.1022  2.0542       0.50088   1.75941      0.494612  4.92391     207.691     38.5144     207.691     
1 1 1 1  7  33 o 100.573 2.2344  19.612       1.16705   17.6146      1.1577    94.1068     64.5563     19.554      64.5563     
1 1 1 1  7  34 o 55.0175 2.51648 5.63172      0.714752  5.54634      0.71287   29.5347     359.848     25.2143     179.848     
1 1 1 1  7  35 o 168.36  2.22024 51.4287      1.93214   52.7749      1.94299   181.245     355.678     72.6567     355.678     
1 1 1 1  7  36 o 148.087 2.23202 38.9496      1.7015    41.7341      1.72437   109.765     281.492     34.9156     101.492     
1 1 1 1  7  37 o 114.83  2.26891 25.0511      1.35343   23.5362      1.34424   118.937     137.313     46.1202     137.313     
1 1 1 1  7  38 o 54.3237 2.56592 5.69765      0.72102   5.24386      0.715021  30.4173     146.041     25.1731     326.041     
1 1 1 1  7  39 o 60.7688 2.8455  5.99943      0.873983  7.79065      0.899501  44.3089     344.713     11.044      164.713     
1 1 1 1  7  40 o 51.6092 2.65672 5.50365      0.711972  4.44216      0.694861  28.0596     134.465     27.8039     314.465     
1 1 1 1  7  41 o 136.884 2.36578 35.2796      1.73729   34.1042      1.61951   132.803     230.579     34.508      230.579     
1 1 1 1  7  42 o 22.3967 4.0594  0.648548     0.502133  1.31676      0.477374  5.02268     305.399     4.53533     125.399     
1 1 1 1  7  43 o 13.5386 3.85911 0.216744     0.430941  0.133233     0.402896  2.05105     67.4737     9.23889     67.4737     
1 1 1 1  7  44 o 27.556  4.36494 2.12483      0.608608  0.963252     0.637528  1.9433      309.829     46.793      309.829     
1 1 1 1  7  45 o 85.4512 3.26868 12.5896      1.36405   15.346       1.5215    80.299      184.802     19.9887     184.802     
1 1 1 1  7  46 o 51.324  2.75865 5.25174      0.726489  4.74388      0.72857   37.0478     164.306     9.05937     344.306     
1 1 1 1  7  47 o 64.5736 2.77338 8.23601      0.870166  7.6118       0.968888  58.0288     238.602     11.4627     238.602     
1 1 1 1  7  48 o 53.58   2.94991 5.13127      0.753327  5.91905      0.873293  53.2679     150.877     21.396      150.877     
1 1 1 1  7  49 o 30.2271 4.01894 1.17304      0.564094  2.69324      0.64531   27.223      126.931     10.7097     126.931     
1 1 1 1  7  50 o 35.9043 4.49325 2.44121      0.803287  2.98475      0.803789  31.7182     255.819     9.31631     255.819     
1 1 1 1  7  51 o 11.7808 3.70073 0.207402     0.484762  -0.693052    0.488413  0.720225    206.705     3.57212     26.7047     
1 1 1 1  7  52 f 8.35362 2.87925 -1.2058      0.40641   -0.330684    0.412111  4.32953     197.501     0           0           
1 1 1 1  7  53 o 21.6511 4.64216 1.0895       0.585911  1.03722      0.54653   15.6099     103.909     2.42255     103.909     
1 1 1 1  7  54 o 51.6368 3.1629  5.51029      0.857265  5.36493      0.819108  49.0307     247.723     18.5993     247.723     
1 1 1 1  7  55 o 14.3184 4.22341 0.418797     0.535473  0.137906     0.515039  2.50233     211.775     0.165478    31.7747     
1 1 1 1  7  56 o 27.0387 5.02115 2.00743      0.723716  1.70396      0.70471   17.8406     304.91      2.47706     124.911     
1 1 1 1  7  57 f 20.9237 4.42288 1.71053      0.592602  0.424478     0.583362  10.6759     334.688     0           0           
1 1 1 1  7  58 f 14.2318 4.28269 0.355294     0.551159  0.307964     0.556233  11.7881     283.242     0           0           
1 1 1 1  7  59 o 9.59128 3.28338 -0.605117    0.487764  -0.469024    0.513726  2.83516     357.796     11.8641     357.796     
1 1 1 1  7  60 o 15.4425 4.74672 0.394596     0.67602   0.578541     0.738932  3.69088     214.775     8.35686     34.7754     
1 1 1 1  7  61 o 22.1574 4.53825 0.121103     0.711423  2.52248      0.724964  15.4958     274.151     5.70023     274.151     
1 1 1 1  7  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  8  0  o 136.569 1.90846 34.2279      1.34984   34.2279      1.34984   21.2049     270         216.534     90          
1 1 1 1  8  1  o 186.344 2.112   63.7699      2.04007   63.5633      2.04001   175.932     334.995     26.5411     334.995     
1 1 1 1  8  2  o 235.093 2.20014 101.654      2.68169   101.023      2.68059   217.725     42.2547     9.22455     42.2548     
1 1 1 1  8  3  o 213.727 2.15576 81.5699      2.38523   85.9627      2.39029   216.053     69.1787     52.2125     69.1787     
1 1 1 1  8  4  o 133.997 2.03591 32.676       1.41395   33.162       1.41424   112.613     230.29      22.9358     230.29      
1 1 1 1  8  5  o 347.252 2.47127 222.638      4.4506    219.577      4.44592   355.907     307.017     67.9752     307.017     
1 1 1 1  8  6  o 611.225 3.30409 692.196      10.476    678.353      10.4603   594.849     83.1536     39.6525     83.1536     
1 1 1 1  8  7  o 145.084 1.99701 37.1275      1.44737   40.0757      1.55689   96.9772     81.8604     51.8848     261.86      
1 1 1 1  8  8  o 226.326 2.0518  92.2877      2.40557   95.5309      2.40821   136.962     175.089     139.09      355.089     
1 1 1 1  8  9  o 565.544 2.94768 594.932      8.64948   578.087      8.63192   618.432     318.425     178.308     318.425     
1 1 1 1  8  10 o 197.919 2.02246 71.8401      2.07524   71.7748      2.07458   238.146     16.9614     156.52      16.9614     
1 1 1 1  8  11 o 131.737 1.95888 29.7271      1.3306    33.9694      1.34094   62.0516     110.742     97.4914     290.742     
1 1 1 1  8  12 o 382.3   2.42807 262.154      4.80459   273.807      4.81732   396.35      165.472     86.835      165.472     
1 1 1 1  8  13 f 304.562 2.24907 172.007      3.55337   168.106      3.54769   290.124     292.558     0           0           
1 1 1 1  8  14 o 104.749 1.99691 20.0044      1.08258   20.2534      1.08395   57.8134     149.837     17.4114     329.837     
1 1 1 1  8  15 o 288.869 2.22853 152.775      3.33682   153.19       3.33709   276.544     201.815     28.8979     201.815     
1 1 1 1  8  16 o 156.775 2.257   44.5891      1.8947    45.5367      1.77005   84.6233     56.9435     101.562     236.943     
1 1 1 1  8  17 o 291.097 2.62598 157.243      4.2858    153.541      3.61834   279.774     275.259     33.3197     275.259     
1 1 1 1  8  18 o 218.252 2.12499 89.1918      2.40744   85.4978      2.40003   194.98      30.2965     4.75369     30.2965     
1 1 1 1  8  19 o 117.563 2.06283 25.5006      1.2565    25.1827      1.25762   84.6613     306.973     11.3409     306.973     
1 1 1 1  8  20 o 323.72  2.34078 191.445      3.92603   192.94       3.92974   308.585     8.86693     31.7951     8.86692     
1 1 1 1  8  21 o 310.46  2.32099 176.797      3.73423   176.778      3.73608   344.091     327.646     132.51      327.646     
1 1 1 1  8  22 o 353.434 2.59534 227.477      4.75062   230.934      4.75887   386.379     261.164     136.402     261.164     
1 1 1 1  8  23 o 121.809 2.54613 27.7548      1.52908   26.7551      1.67612   108.731     292.892     43.6864     292.892     
1 1 1 1  8  24 o 156.938 2.65847 44.5867      2.16228   45.8475      2.16274   63.4521     318.649     149.328     138.649     
1 1 1 1  8  25 o 152.129 2.12227 40.6105      1.66641   44.3643      1.6788    140.183     328.544     16.8439     328.544     
1 1 1 1  8  26 o 270.494 2.27758 133.414      3.19154   135.197      3.19531   253.297     190.632     20.1045     190.632     
1 1 1 1  8  27 o 104.958 2.14746 20.5758      1.17038   19.9021      1.16371   69.0039     266.216     42.4655     86.2159     
1 1 1 1  8  28 o 92.0451 2.17309 16.0087      1.03845   15.1405      1.03187   37.973      73.1647     81.3466     253.165     
1 1 1 1  8  29 o 33.5016 3.03194 1.85838      0.497377  2.35212      0.528612  4.38471     43.7769     32.5374     43.7769     
1 1 1 1  8  30 o 162.406 2.3297  48.575       1.96097   48.3229      1.96151   130.894     1.60558     22.6042     181.606     
1 1 1 1  8  31 f 54.459  2.64183 5.9285       0.746628  5.04439      0.733037  80.4767     206.307     0           0           
1 1 1 1  8  32 o 60.7506 2.50408 6.88273      0.755486  6.73043      0.812903  45.0251     88.8455     0.703146    88.8455     
1 1 1 1  8  33 o 150.165 2.20133 41.2521      1.70997   41.6057      1.71704   115.08      172.808     30.6844     352.808     
1 1 1 1  8  34 o 187.957 2.23576 67.5769      2.18602   62.3383      2.16856   135.972     110.534     55.2269     290.534     
1 1 1 1  8  35 o 124.416 2.22802 29.5029      1.43893   27.457       1.4324    107.771     118.034     4.1936      118.034     
1 1 1 1  8  36 o 84.3557 2.33207 12.6675      1.01399   13.5732      1.02084   66.7034     83.19       4.42271     263.19      
1 1 1 1  8  37 o 57.7372 2.53394 5.57589      0.744033  6.79362      0.760961  38.9017     74.3406     12.4259     254.341     
1 1 1 1  8  38 o 157.114 2.58896 43.9104      2.09838   47.3087      2.11703   166.345     194.565     64.7649     194.565     
1 1 1 1  8  39 o 88.5678 2.65639 14.8142      1.21681   14.2799      1.21642   99.687      216.847     52.7991     216.847     
1 1 1 1  8  40 o 55.2999 2.56058 5.58727      0.729444  5.79448      0.730283  43.3511     322.025     2.33594     142.025     
1 1 1 1  8  41 o 16.654  3.84419 0.0760221    0.40272   0.837834     0.436733  1.06288     83.3406     7.86245     83.3406     
1 1 1 1  8  42 o 19.8329 4.13736 0.673298     0.444173  0.857421     0.467347  2.39409     160.831     15.4373     340.831     
1 1 1 1  8  43 o 59.356  2.58604 6.62921      0.791294  6.58035      0.792294  43.165      201.006     10.6068     21.0056     
1 1 1 1  8  44 o 22.6168 4.68658 0.705306     0.599625  1.33989      0.604219  12.3896     11.3996     1.9679      191.4       
1 1 1 1  8  45 o 52.2596 3.66392 4.8051       0.91452   5.81894      1.04584   53.8988     58.7359     24.5423     58.7359     
1 1 1 1  8  46 o 95.1821 2.42141 16.7422      1.19265   17.2959      1.19258   88.4201     212.499     20.8961     212.499     
1 1 1 1  8  47 o 39.6296 3.25624 3.44858      0.68508   2.68293      0.625291  32.3852     132.006     2.6042      132.006     
1 1 1 1  8  48 o 26.7083 3.99572 0.872219     0.548482  2.12204      0.543896  21.8264     110.162     5.89545     110.162     
1 1 1 1  8  49 o 19.5424 4.27979 0.424287     0.493996  1.11494      0.513305  11.1736     344.614     2.47848     344.614     
1 1 1 1  8  50 o 31.6925 4.1815  1.98241      0.681225  2.20636      0.639519  18.3025     145.544     11.6671     325.544     
1 1 1 1  8  51 o 22.9847 4.72892 1.59445      0.632516  0.728407     0.620157  11.8194     292.128     9.32682     112.128     
1 1 1 1  8  52 o 23.8139 4.46885 1.06048      0.540048  1.46714      0.587743  18.6189     165.582     4.62536     165.582     
1 1 1 1  8  53 o 11.5686 3.67492 -0.446109    0.460187  0.143248     0.485877  1.24735     46.1543     8.77592     226.154     
1 1 1 1  8  54 o 18.9061 4.6866  0.90286      0.550793  0.728762     0.592802  12.1833     301.211     1.61525     301.211     
1 1 1 1  8  55 o 18.5559 4.81661 1.20556      0.64774   0.323059     0.65071   9.64318     83.0387     3.5456      263.039     
1 1 1 1  8  56 o 12.9291 3.93085 0.469826     0.505209  -0.390505    0.521044  1.91905     76.4517     8.68799     256.452     
1 1 1 1  8  57 o 16.6849 4.6939  0.631731     0.609259  0.658537     0.607278  5.44763     109.428     9.85654     289.428     
1 1 1 1  8  58 f 14.2179 4.23915 -0.177568    0.573753  0.688628     0.568658  2.96991     209.919     0           0           
1 1 1 1  8  59 o 17.7251 4.73575 0.630737     0.60555   1.0201       0.604176  4.48333     326.116     12.4169     146.116     
1 1 1 1  8  60 o 14.398  4.49722 0.21227      0.679156  0.439833     0.646084  2.85355     163.097     2.29351     343.097     
1 1 1 1  8  61 o 19.0702 5.27323 1.19484      0.749349  1.14336      0.763159  10.5653     149.203     1.50997     149.203     
1 1 1 1  8  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  9  0  o 355.349 2.32749 231.52       4.28638   231.52       4.28638   439.989     90          208.507     90          
1 1 1 1  9  1  o 336.549 2.27723 209.274      3.97383   206.035      3.9714    375.677     124.225     132.092     124.225     
1 1 1 1  9  2  o 263.4   2.26351 126.301      3.08951   128.089      3.09138   210.004     325.578     62.698      145.578     
1 1 1 1  9  3  o 369.528 2.52735 249.664      4.8411    251.052      4.84108   363.161     246.206     40.9835     246.206     
1 1 1 1  9  4  o 407.036 2.63679 298.886      5.55832   308.689      5.5675    397.491     14.2317     37.8288     14.2316     
1 1 1 1  9  5  o 585.639 3.21742 634.715      9.77313   623.233      9.7607    640.079     202.495     184.128     202.495     
1 1 1 1  9  6  o 270.614 2.2876  133.716      3.20758   134.79       3.21026   234.033     336.31      26.5791     156.31      
1 1 1 1  9  7  o 598.059 3.04674 658.287      9.44662   653.449      9.44363   555.979     159.616     7.43013     339.616     
1 1 1 1  9  8  o 119.218 1.93593 25.0685      1.19311   27.0574      1.19849   63.371      322.505     29.2452     322.505     
1 1 1 1  9  9  o 366.418 2.37683 245.873      4.51385   246.415      4.51508   383.063     199.293     91.0845     199.293     
1 1 1 1  9  10 o 194     2.02661 69.601       2.03872   68.3863      2.03716   169.311     272.106     1.68143     92.1056     
1 1 1 1  9  11 o 306.633 2.2357  174.19       3.55504   170.562      3.55182   302.59      266.209     45.8705     266.209     
1 1 1 1  9  12 o 367.214 2.39164 247.37       4.55343   247.08       4.55147   384.852     60.5668     96.0561     60.5668     
1 1 1 1  9  13 o 106.323 1.99203 19.7683      1.09362   21.7313      1.09857   25.8165     5.15232     116.789     185.152     
1 1 1 1  9  14 o 467.609 2.67525 403.098      6.49037   398.802      6.47857   463.327     209.258     64.1798     209.258     
1 1 1 1  9  15 o 389.107 2.63366 278.853      5.31283   276.417      5.31114   400.89      306.679     89.8563     306.679     
1 1 1 1  9  16 o 194.659 2.38649 68.5453      2.40668   70.4203      2.40911   127.221     92.4729     89.2928     272.473     
1 1 1 1  9  17 o 347.117 2.53082 223.142      4.5619    218.8        4.54541   267.987     182.394     97.368      2.39381     
1 1 1 1  9  18 o 49.9055 2.28063 4.92091      0.58968   4.26351      0.582067  23.5346     190.253     76.6825     190.253     
1 1 1 1  9  19 o 234.906 2.15778 101.113      2.62677   101.275      2.62811   187.645     109.42      42.5285     289.42      
1 1 1 1  9  20 o 93.3711 2.0835  16.5784      1.00835   15.4407      1.00509   35.5575     134.825     55.8253     314.825     
1 1 1 1  9  21 o 243.838 2.1893  106.273      2.76077   111.888      2.77251   195.647     255.482     42.9154     75.4817     
1 1 1 1  9  22 o 94.3183 2.37509 14.795       1.18846   17.9698      1.11315   24.3617     88.3259     101.274     268.326     
1 1 1 1  9  23 o 99.2355 2.64246 18.5049      1.35615   17.7084      1.35701   69.5792     162.385     14.5755     342.385     
1 1 1 1  9  24 o 135.161 2.43365 30.9287      1.68669   36.2728      1.71574   118.252     289.035     4.58327     289.035     
1 1 1 1  9  25 o 54.1278 2.42015 5.66158      0.703017  5.14552      0.648452  23.1143     309.344     27.7954     129.344     
1 1 1 1  9  26 o 25.3737 3.34066 1.61155      0.421923  0.877046     0.416529  28.1906     115.073     78.9821     115.073     
1 1 1 1  9  27 o 279.999 2.29317 143.875      3.32638   144.05       3.33023   297.962     130.193     96.5998     130.193     
1 1 1 1  9  28 o 106.778 2.15353 21.6347      1.19294   20.2785      1.18777   79.0081     105.883     23.8184     285.883     
1 1 1 1  9  29 o 70.8018 2.27315 9.69238      0.833004  8.77079      0.829721  43.7336     150.696     24.4204     330.696     
1 1 1 1  9  30 o 172.573 2.33547 56.1464      2.09412   53.2925      2.08345   152.435     179.828     3.16908     179.828     
1 1 1 1  9  31 o 41.2879 3.10839 2.9749       0.682042  3.37791      0.61879   3.28722     289.24      50.7517     109.24      
1 1 1 1  9  32 o 35.731  3.32546 1.74914      0.57404   3.1387       0.586812  7.16736     108.799     9.96016     288.799     
1 1 1 1  9  33 f 65.3378 2.39281 8.58815      0.812988  7.18313      0.798506  39.5112     16.5581     0           0           
1 1 1 1  9  34 o 111.312 2.24204 22.0387      1.28623   23.5711      1.29769   83.77       255.912     20.9703     75.912      
1 1 1 1  9  35 o 86.8381 2.30436 13.1389      1.02896   14.6718      1.04006   41.1025     36.6103     62.6636     216.61      
1 1 1 1  9  36 o 156.91  2.23657 43.5729      1.80951   47.1136      1.82732   164.611     4.23984     61.9906     4.23984     
1 1 1 1  9  37 o 98.0309 2.30991 19.3158      1.18045   16.2221      1.1588    89.7598     356.488     15.1699     356.488     
1 1 1 1  9  38 o 99.7279 2.62851 18.3522      1.35339   18.4939      1.35946   67.4466     325.736     33.9234     145.736     
1 1 1 1  9  39 f 38.0533 2.95605 2.69351      0.568538  2.7509       0.578475  36.545      262.273     0           0           
1 1 1 1  9  40 o 88.6724 2.3466  15.6675      1.08393   13.5333      1.06621   83.9833     102.123     20.8501     102.123     
1 1 1 1  9  41 f 17.8504 3.56075 -0.113484    0.414642  1.15152      0.433298  6.4009      144.402     0           0           
1 1 1 1  9  42 o 67.2133 2.50587 7.52838      0.857453  9.41011      0.875834  50.5727     139.746     9.21078     319.746     
1 1 1 1  9  43 o 31.7596 3.49875 1.54533      0.542938  2.42151      0.552954  23.2911     222.277     0.614587    42.2768     
1 1 1 1  9  44 o 26.9081 4.70806 1.65978      0.657213  1.31586      0.653344  14.4061     313.689     11.0612     133.689     
1 1 1 1  9  45 f 37.5989 3.57029 2.89043      0.657075  2.63055      0.694708  32.8956     172.079     0           0           
1 1 1 1  9  46 o 21.3614 4.25112 0.627754     0.534674  1.20269      0.485515  6.80662     17.6245     17.5724     197.624     
1 1 1 1  9  47 o 42.9949 2.93304 3.46462      0.639402  3.66254      0.651623  32.231      40.7717     3.49077     220.772     
1 1 1 1  9  48 o 13.2616 3.89631 0.150159     0.447997  0.133989     0.434309  1.01153     354.175     17.5071     354.175     
1 1 1 1  9  49 o 16.8814 4.26082 0.713998     0.489925  0.33444      0.470932  6.31459     153.266     7.38578     333.266     
1 1 1 1  9  50 o 47.0042 3.26944 4.35782      0.777758  4.4011       0.7948    38.6337     209.207     4.00898     209.207     
1 1 1 1  9  51 o 26.528  4.49992 1.70711      0.621673  1.38786      0.60276   23.9221     216.948     15.9778     216.948     
1 1 1 1  9  52 o 29.9085 4.02026 1.41975      0.585492  2.47664      0.608947  25.5968     152.926     7.41839     152.926     
1 1 1 1  9  53 o 12.1022 3.79264 -0.0963131   0.465223  0.0715608    0.481456  2.48717     43.4002     6.77618     223.4       
1 1 1 1  9  54 o 20.2052 4.3986  0.387326     0.562158  1.46         0.563876  11.8775     335.173     3.07556     155.173     
1 1 1 1  9  55 o 15.102  4.31952 0.895224     0.613122  -0.341521    0.551884  5.09991     79.8207     4.38632     259.821     
1 1 1 1  9  56 o 34.5163 4.3204  2.38694      0.756844  3.23121      0.714262  24.8313     268.246     0.810652    88.2463     
1 1 1 1  9  57 o 18.3626 4.76163 1.17211      0.609261  0.526906     0.634152  8.71455     66.3053     5.01573     246.305     
1 1 1 1  9  58 o 20.805  4.98312 0.94814      0.642034  1.47481      0.661819  8.83137     248.126     4.22591     248.126     
1 1 1 1  9  59 o 25.3068 4.45475 2.69716      0.673862  0.721725     0.678601  18.2223     110.169     4.22039     110.169     
1 1 1 1  9  60 o 21.7121 5.12965 1.21336      0.709085  1.63989      0.674984  13.5503     253.601     0.976042    253.601     
1 1 1 1  9  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  10 0  o 245.597 2.0851  110.605      2.65362   110.605      2.65362   239.85      90          17.8911     90          
1 1 1 1  10 1  o 300.112 2.19976 163.656      3.42037   166.574      3.4236    225.176     178.807     101.683     358.807     
1 1 1 1  10 2  o 426.767 2.5234  331.293      5.57961   336.542      5.58461   448.704     201.74      106.807     201.74      
1 1 1 1  10 3  o 123.752 2.08874 28.8911      1.23677   27.2872      1.42839   56.2559     224.245     91.0172     44.2452     
1 1 1 1  10 4  o 655.321 3.35365 784.672      10.9999   790.477      11.7738   651.458     327.863     78.9009     327.863     
1 1 1 1  10 5  o 450.607 2.68607 372.821      6.05606   371.748      6.48405   442.089     18.2619     48.3509     18.2619     
1 1 1 1  10 6  o 290.947 2.26847 155.07       3.30079   155.301      3.53765   229.533     274.073     73.5665     94.0729     
1 1 1 1  10 7  o 344.753 2.31719 215.1        4.1378    220.712      4.14368   277.968     64.3422     79.129      244.342     
1 1 1 1  10 8  o 293.671 2.20551 161.327      3.36167   154.917      3.35225   244.498     85.625      47.2712     265.625     
1 1 1 1  10 9  f 466.051 2.6475  399.671      6.39628   396.838      6.39541   277.262     97.8397     0           0           
1 1 1 1  10 10 o 530.934 2.84745 517.914      7.838     515.902      7.83516   504.565     322.556     25.5195     322.556     
1 1 1 1  10 11 o 512.358 2.79876 478.176      7.42968   484.586      7.43633   377.362     198.181     194.215     18.1807     
1 1 1 1  10 12 o 127.87  1.98601 28.9437      1.3122    31.0243      1.31962   3.07582     309.68      226.162     309.681     
1 1 1 1  10 13 o 262.596 2.16814 123.663      2.94618   129.218      2.95546   247.919     31.0565     25.0965     31.0565     
1 1 1 1  10 14 o 145.845 2.15498 39.6011      1.62759   38.4016      1.63041   136.579     287.182     56.8053     287.182     
1 1 1 1  10 15 o 420.561 2.9402  326.024      6.41288   322.851      6.40642   440.801     263.095     113.836     263.095     
1 1 1 1  10 16 o 99.3828 2.17905 17.7701      1.12043   18.4908      1.12166   50.4697     191.334     21.3928     11.3339     
1 1 1 1  10 17 o 79.6129 2.09211 12.1135      0.863295  11.1734      0.859521  13.3461     332.019     65.0558     152.019     
1 1 1 1  10 18 o 291.461 2.25451 152.317      3.40024   159.334      3.41099   293.13      201.271     65.2387     201.27      
1 1 1 1  10 19 o 309.652 2.30158 176.437      3.69489   175.339      3.69368   283.695     237.624     11.2104     237.624     
1 1 1 1  10 20 o 230.247 2.15141 96.9024      2.56631   97.5919      2.56912   235.569     70.458      66.7609     70.458      
1 1 1 1  10 21 o 76.4545 2.12664 10.4795      0.84047   11.0041      0.841492  17.4779     59.2537     75.0374     239.254     
1 1 1 1  10 22 o 228.766 2.51144 97.8848      2.98265   94.2702      2.97302   197.932     142.298     11.8224     322.298     
1 1 1 1  10 23 o 133.104 2.62906 32.1846      1.80812   32.9346      1.8161    135.096     6.91295     43.8211     6.91295     
1 1 1 1  10 24 o 32.4051 3.10663 1.53809      0.493048  2.44605      0.501728  24.0327     43.6006     86.5404     43.6006     
1 1 1 1  10 25 o 37.5781 2.84301 2.80064      0.540731  2.45454      0.546898  0.131422    67.8147     32.0173     67.8146     
1 1 1 1  10 26 o 99.2441 2.13736 18.0453      1.0985    18.1518      1.09802   71.5172     136.949     24.7838     316.949     
1 1 1 1  10 27 o 108.691 2.13902 21.1989      1.20158   22.2215      1.20595   87.7607     172.423     8.8884      352.423     
1 1 1 1  10 28 o 229.485 2.22279 96.0016      2.64239   97.4329      2.64581   216.032     265.632     27.1469     265.632     
1 1 1 1  10 29 o 25.0967 3.50103 1.69849      0.442322  0.763974     0.434996  11.4788     228.748     37.8081     228.748     
1 1 1 1  10 30 o 87.9233 2.50717 14.0582      1.18341   14.4059      1.09417   77.2465     340.369     10.0242     340.369     
1 1 1 1  10 31 o 248.926 2.47402 115.684      3.42916   112.152      2.94376   185.266     9.37386     66.3        189.374     
1 1 1 1  10 32 o 27.0195 3.84206 1.47819      0.513459  1.31615      0.525098  6.65446     294.266     34.6533     294.266     
1 1 1 1  10 33 o 91.5259 2.26567 16.716       1.08118   14.1772      1.06131   80.5838     233.428     10.7511     233.428     
1 1 1 1  10 34 o 174.177 2.22883 55.8879      2.00976   55.7229      2.01489   164.482     188.814     30.4734     188.814     
1 1 1 1  10 35 o 48.7251 2.60022 3.98431      0.646005  4.83945      0.65338   33.7224     47.3664     10.2094     47.3664     
1 1 1 1  10 36 o 72.6393 2.39216 11.0156      0.905041  8.56136      0.883027  52.6097     299.26      14.3605     119.26      
1 1 1 1  10 37 f 97.1727 2.61019 18.6888      1.32285   16.3203      1.29878   59.7468     235.428     0           0           
1 1 1 1  10 38 o 39.1326 3.08361 3.02193      0.617271  2.74462      0.611435  32.5144     103.959     12.6091     103.959     
1 1 1 1  10 39 o 119.515 2.2817  26.7957      1.41409   26.1015      1.41028   107.614     273.667     14.4083     273.667     
1 1 1 1  10 40 o 36.1982 3.08147 2.89771      0.559166  2.10151      0.559426  25.1791     207.714     2.70453     27.7136     
1 1 1 1  10 41 o 57.0503 2.57456 7.24601      0.764758  5.03584      0.734948  52.7554     348.219     13.9751     348.219     
1 1 1 1  10 42 o 27.9305 3.61348 1.29473      0.501768  1.77686      0.501681  18.024      112.577     3.61418     292.577     
1 1 1 1  10 43 o 44.1395 3.21003 3.83885      0.72413   3.63311      0.723351  33.1366     61.1926     4.07141     241.193     
1 1 1 1  10 44 o 48.9695 3.06426 5.22135      0.808778  3.98415      0.728409  33.9543     354.765     11.1091     174.765     
1 1 1 1  10 45 o 19.6668 4.43292 0.421222     0.486644  1.10084      0.569022  10.9299     26.6343     2.35613     206.634     
1 1 1 1  10 46 f 75.5142 2.70961 10.7662      1.05678   10.9202      1.05752   63.9886     199.005     0           0           
1 1 1 1  10 47 o 30.3847 3.65977 1.72704      0.556201  1.98281      0.553569  28.3756     337.173     13.2042     337.173     
1 1 1 1  10 48 o 10.8937 3.52808 -0.151878    0.47609   -0.324537    0.42002   1.19381     313.927     10.1804     313.927     
1 1 1 1  10 49 o 23.9841 3.98084 2.00653      0.550686  0.455564     0.523587  7.94629     305.88      19.693      125.88      
1 1 1 1  10 50 o 41.5373 3.46974 3.59535      0.730226  3.37508      0.734081  41.6023     74.7373     20.1702     74.7373     
1 1 1 1  10 51 f 38.8943 3.96191 2.46347      0.762974  3.96436      0.735285  23.8961     3.25199     0           0           
1 1 1 1  10 52 f 18.2987 4.50991 0.953336     0.526841  0.461403     0.564299  10.042      139.812     0           0           
1 1 1 1  10 53 o 9.87188 3.31982 -0.516048    0.465929  -0.361359    0.463412  0.063513    28.0417     4.54108     208.042     
1 1 1 1  10 54 o 15.1514 4.44431 0.502028     0.586052  0.24319      0.565195  2.09892     31.5553     0.0416052   31.5552     
1 1 1 1  10 55 o 17.3149 4.5396  1.01537      0.572828  0.319376     0.569383  8.2917      37.1849     2.84432     217.185     
1 1 1 1  10 56 o 20.196  4.6108  1.45148      0.594332  0.625914     0.569142  11.7199     233.31      6.01676     233.31      
1 1 1 1  10 57 o 13.9131 4.13562 0.682302     0.554624  -0.221381    0.530318  2.95359     185.64      3.50881     5.64014     
1 1 1 1  10 58 o 20.3067 4.70557 1.5968       0.624181  0.615209     0.610927  10.3862     129.476     2.95745     309.476     
1 1 1 1  10 59 o 32.1312 5.05353 3.17903      0.820381  2.48761      0.825693  26.3238     53.5574     8.98562     53.5574     
1 1 1 1  10 60 o 12.3181 3.97037 0.30402      0.576597  -0.289374    0.566159  1.68922     148.612     3.68303     328.612     
1 1 1 1  10 61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  11 0  o 39.5936 2.19911 2.92628      0.444751  2.92628      0.444751  49.4063     270         123.826     270         
1 1 1 1  11 1  o 205.98  2.02119 78.7631      2.15952   76.7977      2.15636   108.834     247.058     152.196     67.0579     
1 1 1 1  11 2  o 159.642 1.9669  47.1672      1.62907   46.2727      1.62615   151.845     122.529     45.2576     122.529     
1 1 1 1  11 3  o 27.5095 2.50111 1.16971      0.341928  1.67439      0.345017  47.7063     25.241      104.897     25.241      
1 1 1 1  11 4  o 679.279 3.32483 844.186      11.7061   848.358      11.7081   651.592     8.95586     40.5631     8.95584     
1 1 1 1  11 5  o 483.805 2.69458 429.423      6.75753   428.946      6.75765   486.205     194.967     78.7343     194.967     
1 1 1 1  11 6  o 455.41  2.61716 379.942      6.17822   380.614      6.17825   463.56      90.2006     87.887      90.2006     
1 1 1 1  11 7  o 316.979 2.25546 184.509      3.70556   183.908      3.70627   184.221     209.451     212.561     29.451      
1 1 1 1  11 8  o 603.607 3.08087 669.346      9.64155   667.055      9.6376    553.313     94.0597     10.5702     274.06      
1 1 1 1  11 9  f 347.649 2.33866 224.223      4.21866   218.979      4.20987   362.837     230.131     0           0           
1 1 1 1  11 10 o 364.723 2.38556 241.562      4.50766   246.256      4.51223   327.41      9.69262     11.3766     189.693     
1 1 1 1  11 11 o 135.255 1.98729 33.1878      1.39354   33.8917      1.39295   32.7709     327.108     165.428     147.108     
1 1 1 1  11 12 o 107.306 1.99084 20.3895      1.10335   21.8735      1.1086    47.6565     69.432      66.2223     249.432     
1 1 1 1  11 13 o 479.95  2.89575 424.23       7.20219   420.863      7.2062    472.073     55.0235     65.549      55.0235     
1 1 1 1  11 14 o 166.998 2.25289 52.2602      2.02281   50.0358      1.87737   126.117     120.119     32.3214     300.119     
1 1 1 1  11 15 o 333.259 2.58794 203.987      4.64494   203.465      4.28964   314.515     14.139      27.3843     14.139      
1 1 1 1  11 16 o 360.161 2.40163 243.241      4.489     232.692      4.47695   386.949     240.615     124.955     240.615     
1 1 1 1  11 17 o 341.971 2.36656 215.405      4.1949    213.653      4.19518   315.694     223.735     15.1825     223.735     
1 1 1 1  11 18 o 192.924 2.08941 67.6269      2.08661   68.9152      2.09227   146.73      314.559     44.0048     134.559     
1 1 1 1  11 19 o 58.8732 2.19144 5.82651      0.657763  6.95137      0.672234  15.8466     312.186     105.752     312.186     
1 1 1 1  11 20 o 133.526 2.06396 33.4159      1.43155   32.0118      1.4252    118.16      210.494     13.3077     210.494     
1 1 1 1  11 21 o 130.397 2.20286 30.384       1.48599   32.0339      1.4913    94.2989     156.041     36.0666     336.041     
1 1 1 1  11 22 o 314.341 2.826   177.711      4.79371   185.375      4.39715   281.552     330.75      2.57325     150.75      
1 1 1 1  11 23 o 156.806 2.43729 45.8865      1.9828    44.42        1.97901   127.456     47.7202     21.3399     227.72      
1 1 1 1  11 24 o 191.744 2.22392 65.6789      2.12606   69.3469      2.29489   187.336     68.9823     36.13       68.9823     
1 1 1 1  11 25 o 244.81  2.38669 110.452      3.02932   109.702      3.02803   213.51      254.645     7.88802     74.6449     
1 1 1 1  11 26 o 85.2899 2.15572 13.4203      0.954684  13.3272      0.948377  84.4834     257.204     53.8927     257.204     
1 1 1 1  11 27 o 97.0667 2.15339 17.7483      1.0835    16.8935      1.08036   52.3444     3.97257     60.1844     183.973     
1 1 1 1  11 28 o 53.1001 2.42413 5.90863      0.663856  4.54116      0.655369  25.3406     26.4418     25.5595     206.442     
1 1 1 1  11 29 o 44.5495 2.62366 3.94509      0.602409  3.41261      0.596128  6.45629     6.88902     81.36       6.88902     
1 1 1 1  11 30 o 147.695 2.33237 39.5925      1.78479   40.5874      1.78629   117.162     62.8758     21.3198     242.876     
1 1 1 1  11 31 o 80.8288 2.58231 12.15        1.12816   11.9365      1.02859   60.4574     193.587     11.5703     13.5871     
1 1 1 1  11 32 o 93.621  2.43093 16.5869      1.18213   15.7086      1.17286   73.6532     222.342     8.04461     42.3424     
1 1 1 1  11 33 o 155.555 2.21181 43.4562      1.77988   45.573       1.78642   135.58      259.429     5.51418     259.429     
1 1 1 1  11 34 o 53.2912 2.547   4.90235      0.695966  5.62617      0.700547  42.3254     274.879     15.5376     274.879     
1 1 1 1  11 35 o 37.3474 2.93836 2.37782      0.552977  2.85452      0.561917  20.6452     14.6699     5.50165     194.67      
1 1 1 1  11 36 o 71.2025 2.52922 9.79584      0.929811  8.99591      0.929854  65.338      112.154     13.4998     112.154     
1 1 1 1  11 37 o 64.6319 2.78135 8.78352      0.93709   6.8258       0.909273  47.7668     233.088     10.5962     53.0877     
1 1 1 1  11 38 o 93.9576 2.31741 16.4588      1.12883   16.253       1.12503   79.0503     172.578     1.34619     172.578     
1 1 1 1  11 39 o 57.8068 2.52459 5.97385      0.74792   6.49137      0.75698   50.8472     268.722     9.09643     268.722     
1 1 1 1  11 40 o 74.185  2.40635 9.95478      0.922966  10.5599      0.922137  79.4726     127.964     38.3988     127.964     
1 1 1 1  11 41 o 12.0366 3.57312 -0.183457    0.386666  0.217763     0.392016  3.01608     67.1476     12.2885     67.1476     
1 1 1 1  11 42 o 55.0456 2.70407 5.28141      0.777188  6.1722       0.749618  56.384      106.277     24.8714     106.277     
1 1 1 1  11 43 o 24.9755 4.24495 0.931026     0.541229  1.61582      0.561402  13.9475     81.6077     8.63862     261.608     
1 1 1 1  11 44 o 47.6504 2.96879 3.52778      0.721332  5.22765      0.698952  41.5899     325.483     7.21935     325.483     
1 1 1 1  11 45 o 35.0397 3.78767 1.99527      0.624498  2.93353      0.701476  34.0015     269.138     15.5292     269.138     
1 1 1 1  11 46 o 37.2599 3.53839 2.66048      0.668544  2.83961      0.662691  31.1601     208.752     4.92964     208.752     
1 1 1 1  11 47 o 14.6812 4.05503 0.406557     0.451334  0.201562     0.448605  2.8401      182.97      10.5223     2.97007     
1 1 1 1  11 48 o 25.3947 4.10084 1.01387      0.538136  1.70879      0.531252  15.8535     98.561      5.03808     278.561     
1 1 1 1  11 49 f 35.2432 3.56756 3.1491       0.64013   1.95433      0.602521  24.3694     135.01      0           0           
1 1 1 1  11 50 f 21.1749 4.48165 0.536833     0.532507  1.43468      0.589276  13.1487     235.608     0           0           
1 1 1 1  11 51 o 21.9319 4.85099 1.25693      0.644231  0.978713     0.583064  12.6835     143.456     5.3761      323.456     
1 1 1 1  11 52 o 23.4207 4.51881 1.70908      0.584353  0.848656     0.6001    17.3267     170.995     2.23587     170.995     
1 1 1 1  11 53 o 21.9188 4.42077 1.609        0.577197  0.672111     0.540067  16.5039     239.553     7.3608      239.553     
1 1 1 1  11 54 o 17.2458 4.64551 0.219647     0.587312  1.0539       0.628423  7.11834     270.784     1.29444     270.784     
1 1 1 1  11 55 o 33.3039 4.08796 2.60857      0.677542  2.51167      0.682428  26.2834     28.809      4.49343     28.809      
1 1 1 1  11 56 o 16.8086 4.58455 0.625911     0.577402  0.744063     0.556737  5.6155      207.653     1.02515     207.653     
1 1 1 1  11 57 o 13.2484 4.08382 0.44055      0.545704  -0.090708    0.535005  0.784602    304.343     1.49281     124.343     
1 1 1 1  11 58 o 14.9136 4.40745 -0.181738    0.599406  0.891346     0.629121  3.48411     264.76      7.10856     84.7605     
1 1 1 1  11 59 o 15.029  4.50293 0.682735     0.597069  0.268804     0.646107  4.66027     274.983     4.40696     94.9831     
1 1 1 1  11 60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  12 0  o 360.079 2.35386 237.731      4.39264   237.731      4.39264   333.953     270         1.52307     90          
1 1 1 1  12 1  o 255.877 2.11913 118.57       2.80906   121.504      2.81211   247.952     235.691     39.2181     235.691     
1 1 1 1  12 2  o 241.83  2.09643 108.566      2.629     105.873      2.62667   207.64      144.136     16.525      324.136     
1 1 1 1  12 3  o 271.84  2.15372 137.134      3.03665   133.836      3.0327    210.975     92.2797     69.0984     272.28      
1 1 1 1  12 4  o 583.666 3.00968 624.466      9.10586   625.12       9.10564   623.672     14.6124     171.96      14.6125     
1 1 1 1  12 5  o 287.133 2.18039 149.171      3.24243   153.154      3.24772   244.666     245.205     29.4249     65.2052     
1 1 1 1  12 6  o 133.868 1.96959 32.733       1.36677   32.9749      1.36669   108.097     221.895     13.6145     221.895     
1 1 1 1  12 7  f 365.315 2.37675 242.883      4.49762   246.536      4.50367   391.765     5.16806     0           0           
1 1 1 1  12 8  o 258.957 2.14051 123.624      2.87406   122.28       2.87241   182.264     32.7815     101.524     212.782     
1 1 1 1  12 9  o 120.982 1.97035 26.2304      1.23349   27.4468      1.23742   57.2305     11.3407     80.014      191.341     
1 1 1 1  12 10 o 263.745 2.23892 126.3        2.95019   128.816      3.16968   241.415     150.263     11.8911     150.263     
1 1 1 1  12 11 o 256.704 2.1503  117.792      2.8553    123.918      2.86618   253.384     219.473     51.5062     219.473     
1 1 1 1  12 12 o 103.987 2.07969 20.3201      1.08154   19.3743      1.15475   59.7678     259.105     12.684      79.1049     
1 1 1 1  12 13 o 186.602 2.18496 66.3259      2.11582   61.4398      2.10901   196.797     129.259     82.8872     129.259     
1 1 1 1  12 14 o 107.067 2.22242 21.2349      1.27652   20.853       1.18675   12.4345     180.611     148.776     0.610539    
1 1 1 1  12 15 o 208.084 2.23553 79.6754      2.41426   79.1741      2.40833   167.22      350.066     30.1301     170.066     
1 1 1 1  12 16 o 189.743 2.07627 64.6886      2.0392    67.4008      2.04449   142.075     11.1658     47.4922     191.166     
1 1 1 1  12 17 o 354.294 2.39404 227.253      4.39298   233.45       4.39988   393.861     228.049     151.529     228.049     
1 1 1 1  12 18 o 117.291 2.04311 25.1039      1.24106   25.3744      1.24331   110.362     323.507     37.5068     323.507     
1 1 1 1  12 19 o 139.333 2.04892 37.499       1.48468   33.789       1.47255   130.662     99.591      23.6587     99.591      
1 1 1 1  12 20 o 120.093 2.13727 27.3872      1.37448   25.5957      1.28474   97.9431     231.72      10.7748     51.7202     
1 1 1 1  12 21 o 140     2.28824 34.1519      1.59483   37.8578      1.72722   150.258     281.453     59.2634     281.453     
1 1 1 1  12 22 o 35.8837 3.00584 1.99116      0.552459  2.84872      0.519573  4.18226     223.905     40.7861     223.905     
1 1 1 1  12 23 o 85.0671 2.2907  13.5485      1.01176   13.068       1.00459   51.0195     220.907     39.1858     40.9071     
1 1 1 1  12 24 f 219.503 2.2677  90.2427      2.48488   86.7372      2.66787   170.775     90.4411     0           0           
1 1 1 1  12 25 o 111.763 2.29027 22.3371      1.31971   23.5926      1.33067   65.9631     301.271     59.8536     121.271     
1 1 1 1  12 26 f 71.3627 2.32997 9.09482      0.887832  9.65899      0.827726  57.703      154.668     0           0           
1 1 1 1  12 27 o 125.568 2.14519 29.2346      1.39564   28.6788      1.39684   123.846     45.2627     33.9076     45.2627     
1 1 1 1  12 28 o 220.601 2.22078 88.8518      2.53498   89.9445      2.54396   197.458     5.87737     9.04329     5.87736     
1 1 1 1  12 29 o 23.5431 3.69782 0.815104     0.445953  1.32298      0.439293  10.4864     92.8829     36.9948     92.8829     
1 1 1 1  12 30 o 83.8581 2.42601 12.8657      1.05031   13.0406      1.05433   44.8518     206.116     50.1537     26.1163     
1 1 1 1  12 31 o 186.133 2.38087 63.4816      2.29388   63.9786      2.30042   157.586     302.136     5.57686     122.136     
1 1 1 1  12 32 o 99.8434 2.42016 18.7351      1.25482   18.0135      1.24636   59.646      242.112     48.195      62.1121     
1 1 1 1  12 33 o 101.981 2.32433 19.3341      1.18279   19.0117      1.26903   108.26      105.14      48.7162     105.14      
1 1 1 1  12 34 o 177.693 2.23805 57.536       2.05806   58.8321      2.0647    159.518     201.08      15.4247     201.08      
1 1 1 1  12 35 o 24.2106 3.79755 0.920009     0.460322  1.36392      0.472104  0.585902    301.116     33.2571     301.116     
1 1 1 1  12 36 o 132.766 2.56061 32.5158      1.7624    32.7954      1.75872   135.517     1.49074     47.1814     1.49074     
1 1 1 1  12 37 o 80.0902 2.41056 12.5889      0.973811  11.2304      1.01742   69.5408     86.6281     6.79058     86.6281     
1 1 1 1  12 38 o 37.8784 2.90708 2.89346      0.565044  2.52516      0.556411  21.7416     17.1735     14.2902     197.174     
1 1 1 1  12 39 o 66.4293 2.4307  8.10601      0.830734  8.35253      0.837499  65.4841     212.87      23.4975     212.87      
1 1 1 1  12 40 o 36.0777 3.02075 2.61194      0.553764  2.35234      0.55269   27.0636     44.802      0.892086    224.802     
1 1 1 1  12 41 o 47.737  2.69247 4.46763      0.662819  4.14464      0.658021  41.1653     39.8204     6.3323      39.8204     
1 1 1 1  12 42 o 71.2095 2.82405 10.1101      1.04271   9.09214      1.03193   62.4416     354.457     8.81571     354.457     
1 1 1 1  12 43 o 23.1357 4.12659 1.10965      0.498393  1.06265      0.491195  6.19685     12.7885     22.3698     192.788     
1 1 1 1  12 44 o 73.5931 2.50039 10.0619      0.95432   10.3989      0.947426  62.6352     221.696     6.25401     221.696     
1 1 1 1  12 45 o 83.5698 2.66503 13.2403      1.14697   13.3463      1.15603   67.4998     27.2607     0.192132    27.261      
1 1 1 1  12 46 o 31.8555 3.94731 2.33085      0.63729   1.81616      0.615804  24.9112     183.224     2.07287     183.224     
1 1 1 1  12 47 f 25.8775 4.12265 0.763007     0.593411  2.07842      0.539641  17.0737     122.381     0           0           
1 1 1 1  12 48 o 41.7548 3.09369 3.80209      0.659483  3.09036      0.653276  35.4202     157.354     6.58735     157.354     
1 1 1 1  12 49 o 16.5132 3.6191  1.1834       0.479147  -0.578021    0.461968  6.38372     226.561     8.54625     46.5611     
1 1 1 1  12 50 o 14.0907 4.11027 -0.077873    0.468582  0.498047     0.533271  4.70469     18.8923     5.39835     198.892     
1 1 1 1  12 51 o 16.1361 4.49555 0.222779     0.593817  0.671365     0.546714  8.28229     108.918     1.51318     288.918     
1 1 1 1  12 52 o 19.0542 4.6686  0.548899     0.569263  1.12304      0.590286  8.8383      166.13      7.63976     346.13      
1 1 1 1  12 53 f 27.179  4.80819 1.35936      0.685916  2.31784      0.700264  18.8917     184.494     0           0           
1 1 1 1  12 54 o 16.0979 4.4262  0.600225     0.529338  0.527775     0.531726  6.03842     345.896     0.203688    345.896     
1 1 1 1  12 55 o 22.4954 4.28839 2.0566       0.603937  0.472202     0.581437  12.9935     196.672     4.39408     16.6716     
1 1 1 1  12 56 o 39.493  3.94383 3.73294      0.74888   3.4975       0.812433  35.4529     258.194     14.6503     258.194     
1 1 1 1  12 57 o 32.5678 4.66422 3.21786      0.76346   2.21759      0.75745   30.3282     88.803      20.5421     88.803      
1 1 1 1  12 58 o 15.3248 4.59094 0.646212     0.626523  0.38517      0.64553   4.39601     178.737     1.86784     358.737     
1 1 1 1  12 59 o 18.7585 4.92892 0.64035      0.760648  1.34718      0.628941  7.92102     49.5877     7.46582     229.588     
1 1 1 1  13 0  o 344.342 2.31685 217.422      4.13456   217.422      4.13456   362.22      90          88.387      90          
1 1 1 1  13 1  o 146.164 1.96939 39.3022      1.49255   39.0364      1.49168   104.304     151.741     32.6942     331.741     
1 1 1 1  13 2  o 343.854 2.31739 217.388      4.12982   216.235      4.13118   368.642     294.669     117.1       294.669     
1 1 1 1  13 3  f 408.729 2.48615 305.644      5.26465   307.096      5.27008   285.192     204.773     0           0           
1 1 1 1  13 4  o 201.351 2.03837 75.2156      2.12728   73.4605      2.12748   171.775     286.461     6.92752     106.461     
1 1 1 1  13 5  o 137.148 1.97797 33.6265      1.40241   35.3596      1.40945   107.698     134.793     0.708881    314.794     
1 1 1 1  13 6  o 183.251 2.01835 60.0463      1.91326   63.1196      1.92047   183.875     271.018     60.9602     271.018     
1 1 1 1  13 7  o 49.8902 2.16249 4.95712      0.557633  4.22068      0.55298   24.8274     168.886     80.6743     168.886     
1 1 1 1  13 8  o 353.059 2.34521 228.272      4.29267   228.957      4.29133   384.823     222.826     134.528     222.826     
1 1 1 1  13 9  o 415.321 2.5224  321.129      5.43602   311.729      5.42399   349.834     244.723     54.7161     64.7235     
1 1 1 1  13 10 o 39.0739 2.33029 2.65802      0.467755  2.98746      0.465933  25.8789     34.5751     66.5509     34.5751     
1 1 1 1  13 11 o 126.531 2.07901 29.9975      1.32146   28.7341      1.4023    55.7403     171.206     96.592      351.206     
1 1 1 1  13 12 o 62.8462 2.21713 7.20094      0.717405  7.32503      0.722573  0.507833    359.217     38.4753     359.217     
1 1 1 1  13 13 o 102.077 2.2132  20.0339      1.21276   18.2517      1.12712   47.082      175.916     63.7554     355.916     
1 1 1 1  13 14 o 326.398 2.4772  199.047      4.19946   191.994      4.18222   283.508     332.733     19.7558     152.733     
1 1 1 1  13 15 o 174.236 2.05396 55.2368      1.85306   56.15        1.85701   144.285     80.6259     14.4315     260.626     
1 1 1 1  13 16 o 410.136 2.62419 314.396      5.77463   303.313      5.38207   416.185     35.5335     93.1146     35.5335     
1 1 1 1  13 17 o 179.392 2.07433 58.6954      1.92736   59.4036      1.93041   155         24.2304     5.99062     204.23      
1 1 1 1  13 18 o 187.719 2.09613 64.7509      2.03836   64.5811      2.04095   183.819     78.6667     35.4046     78.6667     
1 1 1 1  13 19 o 34.3362 2.58822 2.10404      0.453157  2.27721      0.453322  7.14068     272.896     44.6703     272.896     
1 1 1 1  13 20 o 214.394 2.28328 86.1215      2.54156   82.6801      2.53278   180.608     88.7144     19.4236     268.714     
1 1 1 1  13 21 o 139.368 2.30869 36.7768      1.60954   34.5746      1.71974   150.458     335.627     62.461      335.627     
1 1 1 1  13 22 o 91.1967 2.28522 15.4516      1.15197   15.1341      1.00129   69.4104     272.818     11.7124     92.818      
1 1 1 1  13 23 o 124.578 2.2603  29.381       1.46124   27.6557      1.45583   62.0843     204.553     91.7339     24.5527     
1 1 1 1  13 24 o 164.689 2.19948 48.9395      1.8066    50.6856      1.94808   124.941     115.796     37.53       295.796     
1 1 1 1  13 25 o 261.686 2.4222  126.695      3.28651   124.956      3.28468   238.668     65.1732     17.0672     65.1732     
1 1 1 1  13 26 o 174.673 2.23503 57.6239      2.10078   54.4877      1.94675   163.932     85.634      24.4585     85.634      
1 1 1 1  13 27 o 57.4669 2.37986 6.48661      0.708056  5.7059       0.701684  40.9603     14.8865     2.92802     194.887     
1 1 1 1  13 28 o 115.091 2.18285 24.8175      1.30147   23.8994      1.30035   94.9862     70.0944     5.33854     250.095     
1 1 1 1  13 29 o 218.589 2.23679 86.6948      2.52905   88.9726      2.53967   203.024     72.6105     27.7877     72.6105     
1 1 1 1  13 30 o 203.29  2.30872 76.425       2.35096   75.6143      2.51118   200.415     86.5631     51.4133     86.5631     
1 1 1 1  13 31 o 116.491 2.37827 25.339       1.43543   24.6696      1.4336    125.155     263.232     57.3058     263.232     
1 1 1 1  13 32 o 93.6736 2.4253  15.6741      1.17216   16.7189      1.1784    93.4039     334.437     32.947      334.437     
1 1 1 1  13 33 o 114.393 2.41277 23.677       1.42379   24.6521      1.43416   111.206     193.7       29.8505     193.7       
1 1 1 1  13 34 o 40.8648 2.79856 3.44953      0.583277  2.80884      0.582007  30.1987     294.606     0.4878      114.606     
1 1 1 1  13 35 o 111.736 2.48724 22.6306      1.47789   23.6301      1.39613   82.384      147.589     23.325      327.589     
1 1 1 1  13 36 o 46.718  3.022   4.25293      0.77582   3.94851      0.670712  36.41       12.9632     0.431178    12.9631     
1 1 1 1  13 37 o 15.9218 3.85999 0.610926     0.393563  0.234581     0.40088   5.7011      161.639     25.6167     161.639     
1 1 1 1  13 38 o 71.7922 2.38905 9.60466      0.886838  9.60289      0.886304  57.982      74.5937     1.70481     254.594     
1 1 1 1  13 39 o 96.8694 2.40509 17.2454      1.1559    17.7816      1.25487   93.7661     312.727     27.7343     312.727     
1 1 1 1  13 40 o 12.5719 3.64225 -0.0146442   0.385168  0.233458     0.38296   0.274788    80.0637     2.90708     80.0637     
1 1 1 1  13 41 o 124.029 2.48102 28.7862      1.59158   28.9218      1.59539   115.316     30.103      26.5888     30.103      
1 1 1 1  13 42 o 67.2028 2.83464 8.94921      0.989561  8.19545      0.975402  57.606      91.3956     6.33259     91.3956     
1 1 1 1  13 43 o 12.0391 3.5519  0.310671     0.404948  -0.315179    0.384959  0.460375    139.587     5.29127     319.587     
1 1 1 1  13 44 f 80.1738 2.45779 12.9864      1.0293    11.37        1.00653   53.6923     149.071     0           0           
1 1 1 1  13 45 o 34.2047 3.64238 2.2638       0.620784  2.41972      0.630503  23.8344     330.759     4.69511     150.759     
1 1 1 1  13 46 o 17.4746 4.0968  -0.237998    0.489327  1.1771       0.555028  0.434843    180.978     23.4969     0.977552    
1 1 1 1  13 47 o 33.5092 3.93279 1.4393       0.634925  3.34581      0.61985   18.2121     216.546     14.8054     36.5465     
1 1 1 1  13 48 o 10.9928 3.4991  -0.397922    0.435819  0.0457494    0.424269  0.517868    100.178     3.17415     280.178     
1 1 1 1  13 49 o 48.4095 3.03244 5.52967      0.760025  3.88008      0.729324  48.0707     186.592     22.0299     186.592     
1 1 1 1  13 50 o 25.9475 4.2134  1.19949      0.548535  1.82638      0.570376  21.7847     212.635     7.11182     212.635     
1 1 1 1  13 51 o 17.6856 4.58286 0.424281     0.560374  0.920504     0.568612  9.90502     211.865     0.328026    31.8655     
1 1 1 1  13 52 o 11.18   3.69131 -0.464144    0.538735  -0.130336    0.525568  0.0667571   207.547     8.19287     27.5471     
1 1 1 1  13 53 o 10.7073 3.5771  -0.236477    0.508818  -0.492557    0.540931  0.030113    205.006     6.08038     25.0057     
1 1 1 1  13 54 o 17.7761 4.76068 0.762549     0.615361  0.811586     0.5906    9.29376     273.123     1.08408     93.123      
1 1 1 1  13 55 f 13.6097 4.14511 0.191281     0.540455  0.316468     0.522643  9.57653     213.618     0           0           
1 1 1 1  13 56 o 14.954  4.45849 0.975853     0.693759  -0.219923    0.549556  3.2844      342.356     4.46145     162.356     
1 1 1 1  13 57 o 14.2954 4.44472 0.0580818    0.622072  0.557176     0.663755  3.17091     168.522     5.06223     348.522     
1 1 1 1  13 58 o 11.5663 3.82539 -0.240851    0.541991  -0.0294773   0.596878  0.591134    231.061     7.71004     51.0612     
1 1 1 1  13 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  14 0  o 288.228 2.19879 152.358      3.28426   152.358      3.28426   288.903     270         49.1027     270         
1 1 1 1  14 1  o 58.4007 2.07855 6.51411      0.628088  6.03148      0.62569   39.7523     167.405     147.267     167.405     
1 1 1 1  14 2  f 108.353 1.96899 21.6714      1.10654   21.4154      1.10342   52.5937     164.93      0           0           
1 1 1 1  14 3  o 456.171 2.62326 383.375      6.20653   380.165      6.19933   439.658     317.832     52.018      317.832     
1 1 1 1  14 4  o 115.772 1.97098 23.9658      1.18151   25.1997      1.18363   83.0333     291.812     11.3635     291.812     
1 1 1 1  14 5  o 202.818 2.04762 75.8277      2.15395   75.0509      2.15145   117.412     305.43      122.006     125.43      
1 1 1 1  14 6  o 396.093 2.46104 288.143      5.05371   287.502      5.05221   330.433     278.539     55.1453     98.5389     
1 1 1 1  14 7  o 127.157 1.97829 29.567       1.30365   29.7391      1.30425   20.2907     319.785     174.699     139.785     
1 1 1 1  14 8  o 303.237 2.24069 171.349      3.52494   166.028      3.51858   295.495     155.182     49.5818     155.182     
1 1 1 1  14 9  o 124.288 1.98757 29.01        1.28152   27.6629      1.27902   26.2134     295.12      158.427     115.12      
1 1 1 1  14 10 o 150.215 2.05972 40.5275      1.54973   42.2633      1.6578    83.2043     126.526     92.0537     306.526     
1 1 1 1  14 11 o 40.524  2.56058 3.02544      0.507414  3.05065      0.555968  34.4209     53.2287     104.171     53.2287     
1 1 1 1  14 12 o 147.235 2.14843 41.5786      1.75531   38.0094      1.52381   124.004     233.295     2.53561     53.2947     
1 1 1 1  14 13 f 261.497 2.32254 124.35       3.14859   126.647      3.14757   194.651     214.363     0           0           
1 1 1 1  14 14 f 255.066 2.24973 121.148      2.87847   117.661      3.0644    222.432     74.6219     0           0           
1 1 1 1  14 15 o 86.5571 2.0489  14.0895      0.919273  13.4402      0.916398  51.8368     286.311     39.545      106.311     
1 1 1 1  14 16 o 21.8791 3.21493 0.925422     0.350184  0.900095     0.355187  11.6165     169.01      30.0518     169.01      
1 1 1 1  14 17 o 75.9805 2.08647 10.9503      0.822332  10.2778      0.817572  8.79445     315.853     146.721     315.853     
1 1 1 1  14 18 o 69.1619 2.12898 8.44121      0.757551  9.16028      0.764594  53.0059     292.488     6.99062     292.488     
1 1 1 1  14 19 o 136.835 2.19125 35.1202      1.55505   33.6402      1.55294   112.931     304.783     11.0993     124.784     
1 1 1 1  14 20 o 155.521 2.37978 43.5008      1.91343   45.36        1.92309   149.386     269.967     29.1833     269.967     
1 1 1 1  14 21 o 67.319  2.30596 7.78453      0.795868  8.92049      0.806496  42.1124     99.8412     18.3026     279.841     
1 1 1 1  14 22 o 179.691 2.20399 57.6684      2.11492   60.9461      1.98395   168.988     320.664     24.8968     320.664     
1 1 1 1  14 23 o 188.657 2.30236 66.4739      2.25448   64.2908      2.24818   184.232     244.835     39.912      244.835     
1 1 1 1  14 24 o 160.327 2.20843 47.1686      1.76867   47.2563      1.8998    158.76      137.367     40.6607     137.367     
1 1 1 1  14 25 o 101.689 2.32471 19.3764      1.2232    18.6672      1.22401   71.4296     219.499     29.5084     39.4988     
1 1 1 1  14 26 f 83.0244 2.3989  12.696       1.03356   12.688       1.02689   87.8212     24.7155     0           0           
1 1 1 1  14 27 o 137.398 2.15957 34.6915      1.53858   34.6903      1.53759   139.865     104.465     46.6358     104.465     
1 1 1 1  14 28 o 68.9326 2.30998 9.15044      0.82237   8.37358      0.822455  64.0448     144.586     30.536      144.586     
1 1 1 1  14 29 o 79.2519 2.26952 12.7356      0.934847  10.4671      0.920435  69.9178     278.217     14.889      278.217     
1 1 1 1  14 30 o 97.3394 2.30912 17.2353      1.11973   17.6937      1.20653   96.304      178.589     32.9903     178.589     
1 1 1 1  14 31 o 83.8167 2.44205 12.3201      1.04943   13.6463      1.06671   79.7575     266.495     22.5285     266.495     
1 1 1 1  14 32 o 69.9373 2.44901 8.15407      0.900879  9.99428      0.856707  52.916      200.479     9.49368     20.4795     
1 1 1 1  14 33 o 27.2708 3.69264 1.48654      0.505438  1.3814       0.500484  3.10076     326.32      0.266845    326.32      
1 1 1 1  14 34 o 24.67   3.82671 1.29339      0.469093  1.07799      0.483399  7.47834     115.783     8.04474     295.783     
1 1 1 1  14 35 o 47.5951 2.96149 4.49073      0.729966  4.02008      0.715305  27.0657     182.288     21.4882     2.28813     
1 1 1 1  14 36 f 19.5392 3.83646 1.04972      0.423559  0.415786     0.423574  15.9193     297.993     0           0           
1 1 1 1  14 37 o 64.7414 2.41014 7.31893      0.799962  8.33603      0.809894  61.6724     31.8858     18.7434     31.8858     
1 1 1 1  14 38 o 33.7662 3.1034  2.20708      0.531806  2.15896      0.528862  19.0493     117.953     13.9192     297.953     
1 1 1 1  14 39 f 13.057  3.67905 0.310566     0.387164  0.0292292    0.375034  11.2261     138.447     0           0           
1 1 1 1  14 40 o 24.8175 3.65293 0.456755     0.479536  2.09691      0.48506   14.1363     37.1589     7.96309     217.159     
1 1 1 1  14 41 o 26.9525 4.05176 1.5059       0.5507    1.42297      0.546618  17.8632     138.903     4.24486     318.903     
1 1 1 1  14 42 o 28.8421 3.57431 1.75605      0.517555  1.54954      0.511529  23.2896     138.98      4.19918     138.98      
1 1 1 1  14 43 o 19.1577 4.11996 1.03563      0.464776  0.406808     0.47717   5.47409     217.358     15.7309     37.3578     
1 1 1 1  14 44 o 37.1417 3.21144 3.07572      0.599166  2.35521      0.600047  23.0744     331.789     11.4869     151.789     
1 1 1 1  14 45 o 37.2529 3.4976  2.80539      0.660313  2.73408      0.657075  34.5812     256.548     13.1611     256.548     
1 1 1 1  14 46 f 15.8283 4.32894 0.222634     0.454079  0.596432     0.562402  19.3726     168.91      0           0           
1 1 1 1  14 47 o 33.2957 3.82657 1.92809      0.650205  2.69009      0.602055  20.7124     101.763     9.10422     281.763     
1 1 1 1  14 48 f 35.3695 3.45261 2.57688      0.616821  2.55208      0.615442  28.2171     49.4971     0           0           
1 1 1 1  14 49 o 69.938  2.71106 11.2802      0.990589  8.14479      0.951482  57.5769     104.57      6.6333      104.57      
1 1 1 1  14 50 o 16.948  4.28694 -0.019806    0.505457  1.09946      0.566843  7.57783     70.8897     6.12177     250.89      
1 1 1 1  14 51 o 31.6965 4.58332 2.31527      0.775689  2.41117      0.677221  24.8742     32.3491     4.18831     32.3491     
1 1 1 1  14 52 o 29.2091 5.55797 2.52815      0.925935  2.11886      0.79448   17.756      136.188     6.13706     316.188     
1 1 1 1  14 53 o 12.1402 3.90605 -0.0554391   0.556966  -0.0359712   0.521049  0.917122    346.835     9.77537     166.834     
1 1 1 1  14 54 f 36.4897 3.97301 3.7665       0.727068  2.44663      0.700316  23.2589     133.664     0           0           
1 1 1 1  14 55 o 24.0825 4.90036 1.49017      0.613399  1.65666      0.675939  13.794      104.84      3.60239     284.84      
1 1 1 1  14 56 o 15.1465 4.39273 0.190445     0.574018  0.745486     0.566247  3.9196      167.994     2.45912     347.994     
1 1 1 1  14 57 o 15.5588 4.61899 0.760052     0.631301  0.368058     0.647227  3.70525     14.3556     10.3369     194.356     
1 1 1 1  14 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  15 0  o 98.2123 1.98591 17.7279      1.00914   17.7279      1.00914   19.0986     270         138.964     90          
1 1 1 1  15 1  o 115.117 1.97819 23.8626      1.17974   24.7545      1.18083   77.6863     247.091     27.0631     67.091      
1 1 1 1  15 2  o 172.557 2.01496 54.1533      1.80089   55.0819      1.80366   108.575     235.707     83.1428     55.7071     
1 1 1 1  15 3  o 168.019 2.00816 52.6066      1.74931   50.9645      1.74837   93.431      131.535     105.919     311.535     
1 1 1 1  15 4  o 331.68  2.3035  204.669      3.96199   199.053      3.95827   275.431     328.162     44.7024     148.162     
1 1 1 1  15 5  o 119.359 1.99201 27.9688      1.23445   24.3746      1.22563   110.682     135.215     44.1977     135.215     
1 1 1 1  15 6  o 422.075 2.53554 327.366      5.54713   326.593      5.5477    477.899     338.568     197.056     338.568     
1 1 1 1  15 7  o 93.1234 1.99034 16.1772      0.959264  15.6703      0.959868  69.4549     233.786     13.247      233.786     
1 1 1 1  15 8  o 258.764 2.15534 120.481      2.88617   125.26       2.89522   259.727     95.2332     59.7976     95.2332     
1 1 1 1  15 9  o 183.305 2.1041  62.4166      1.93374   60.8915      2.06098   154.705     279.954     12.3306     99.9544     
1 1 1 1  15 10 o 228.534 2.24339 95.6133      2.65415   96.0861      2.66101   202.797     111.845     0.489927    291.846     
1 1 1 1  15 11 o 300.421 2.40538 169.186      3.74744   162.21       3.74303   294.418     225.031     51.2891     225.031     
1 1 1 1  15 12 o 77.1083 2.16459 11.3005      0.866952  10.5638      0.859457  53.7062     132.372     15.5667     312.372     
1 1 1 1  15 13 o 126.418 2.08116 28.8915      1.31828   29.7702      1.40891   91.5032     168.015     36.4235     348.015     
1 1 1 1  15 14 o 61.355  2.10703 6.8285       0.667797  7.02309      0.668336  16.9701     131.753     62.467      311.753     
1 1 1 1  15 15 o 125.507 2.03218 29.7211      1.32479   28.1107      1.31877   71.4237     144.75      75.3263     324.75      
1 1 1 1  15 16 f 163.926 2.0562  48.6282      1.74345   50.0246      1.7508    106.767     297.523     0           0           
1 1 1 1  15 17 o 165.612 2.07211 49.1486      1.77335   51.5629      1.78377   155.233     5.32031     22.1099     5.32031     
1 1 1 1  15 18 o 56.6965 2.34717 5.98141      0.685983  5.86713      0.687542  30.334      229.118     4.24959     229.118     
1 1 1 1  15 19 o 133.333 2.28606 31.5347      1.52046   33.786       1.63997   115.413     279.249     2.11655     279.249     
1 1 1 1  15 20 o 109.92  2.20938 22.1383      1.25585   22.2757      1.25932   60.6799     64.3213     66.6647     244.321     
1 1 1 1  15 21 o 42.5109 2.48768 3.03361      0.53605   3.66852      0.547454  13.2383     345.976     14.3824     165.976     
1 1 1 1  15 22 o 127.221 2.19317 29.4046      1.49212   30.0697      1.39636   91.9413     271.638     34.6636     91.6375     
1 1 1 1  15 23 o 51.8148 2.56007 5.38603      0.689556  4.55101      0.674308  34.4815     293.251     1.9498      293.251     
1 1 1 1  15 24 o 15.9374 3.82599 0.509944     0.362232  0.340401     0.400633  14.815      214.579     35.7033     214.579     
1 1 1 1  15 25 o 36.9579 2.84535 2.22517      0.506118  2.88458      0.565257  4.1307      252.116     37.0498     72.1157     
1 1 1 1  15 26 o 98.8456 2.3395  18.6833      1.19992   17.3039      1.19301   110.251     265.158     63.1232     265.158     
1 1 1 1  15 27 f 94.8689 2.19789 15.9249      1.07681   17.2257      1.08082   48.2953     296.087     0           0           
1 1 1 1  15 28 f 139.299 2.16631 36.3806      1.56389   35.0227      1.56414   74.2133     321.372     0           0           
1 1 1 1  15 29 o 12.588  3.60294 0.0553966    0.36096   0.187896     0.371844  8.58049     190.855     20.0652     190.855     
1 1 1 1  15 30 o 77.7725 2.35902 10.6834      0.907071  11.6767      0.991009  70.6529     311.792     13.8983     311.792     
1 1 1 1  15 31 o 76.9196 2.47216 10.3579      0.975543  11.5644      0.989083  64.5608     197.806     1.8097      197.806     
1 1 1 1  15 32 f 73.7119 2.51104 10.817       1.04379   9.36186      0.870305  53.9069     129.653     0           0           
1 1 1 1  15 33 o 60.7618 2.71021 6.70206      0.813918  7.0598       0.884518  56.7074     294.436     16.5107     294.436     
1 1 1 1  15 34 o 56.41   2.94873 5.50745      0.804887  6.44094      0.908416  54.7339     227.155     21.1301     227.155     
1 1 1 1  15 35 o 20.2623 3.55823 0.134391     0.414243  1.43906      0.448129  3.92169     290.248     7.26894     110.248     
1 1 1 1  15 36 o 49.9918 2.5987  4.60866      0.668579  4.76885      0.668683  31.1666     135.398     18.0282     315.398     
1 1 1 1  15 37 o 56.8349 2.51685 6.73061      0.743834  5.42401      0.726496  42.3527     80.9976     7.24506     260.998     
1 1 1 1  15 38 o 50.8287 2.62445 4.71235      0.686993  5.03821      0.685717  42.6465     299.486     3.99297     299.486     
1 1 1 1  15 39 o 27.4638 3.5957  1.97929      0.495976  1.05521      0.48042   21.3461     72.3146     2.83291     72.3146     
1 1 1 1  15 40 o 39.3596 3.26978 2.93774      0.65805   3.05569      0.650246  30.2729     0.656449    1.17847     180.656     
1 1 1 1  15 41 o 41.0133 3.11017 2.7797       0.631687  3.75687      0.660429  34.4964     334.078     5.00561     334.078     
1 1 1 1  15 42 o 29.5501 3.7032  3.04771      0.558638  0.741857     0.514098  20.4151     110.12      3.42916     290.12      
1 1 1 1  15 43 o 89.1931 2.43242 14.5926      1.11099   15.5813      1.13371   81.2397     0.942343    19.9392     0.942343    
1 1 1 1  15 44 o 47.0306 2.87568 3.73581      0.680614  4.87088      0.699105  29.6474     29.5601     14.342      209.56      
1 1 1 1  15 45 o 15.7345 3.8157  0.94914      0.481429  -0.27113     0.42355   5.17592     231.45      0.336499    51.4501     
1 1 1 1  15 46 o 12.0926 3.86083 -0.291083    0.407944  0.08568      0.599258  1.56442     70.2884     6.21665     250.288     
1 1 1 1  15 47 o 49.2911 3.20971 5.38943      0.817499  4.40128      0.7982    39.9364     241.739     3.90781     241.739     
1 1 1 1  15 48 o 28.4921 4.01258 1.37078      0.570473  2.1987       0.571259  26.028      257.429     11.7108     257.429     
1 1 1 1  15 49 o 17.2818 4.70769 1.0031       0.710015  0.290799     0.489281  4.74329     58.254      13.6035     238.254     
1 1 1 1  15 50 o 14.9251 4.24657 0.499632     0.492147  0.263119     0.52739   4.52458     254.382     7.11159     74.3824     
1 1 1 1  15 51 o 26.8266 5.4033  1.85238      0.778328  2.01006      0.797463  15.7372     21.6316     6.21411     201.632     
1 1 1 1  15 52 o 22.6103 5.04993 1.4617       0.722851  1.27841      0.603332  15.3338     262.811     1.62492     262.811     
1 1 1 1  15 53 o 25.4558 4.62273 2.36487      0.648816  1.01787      0.684826  18.7796     23.061      4.19897     23.061      
1 1 1 1  15 54 f 8.81269 3.05471 -1.02889     0.465994  -0.419121    0.480367  0.8101      293.304     0           0           
1 1 1 1  15 55 o 11.1308 3.57778 -1.05574     0.469004  0.416862     0.521548  0.079912    78.6394     4.63392     78.6395     
1 1 1 1  15 56 o 15.6649 4.4628  -0.15911     0.630406  1.09107      0.622961  5.58736     18.3273     2.90453     198.327     
1 1 1 1  15 57 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  16 0  f 101.465 1.99715 18.9218      1.04857   18.9218      1.04857   41.014      90          0           0           
1 1 1 1  16 1  o 82.8041 2.02024 12.9357      0.866974  12.2587      0.864287  60.4612     6.53475     4.44307     186.535     
1 1 1 1  16 2  o 20.8451 3.05193 0.861432     0.31846   0.794857     0.319355  50.4768     344.498     116.379     344.498     
1 1 1 1  16 3  o 108.546 2.00208 21.7005      1.12585   21.5638      1.12519   60.1084     345.375     64.8508     165.375     
1 1 1 1  16 4  o 114.994 1.98801 24.7378      1.18679   23.791       1.18298   105.079     107.436     17.375      107.436     
1 1 1 1  16 5  o 189.196 2.04329 64.5398      2.00104   66.8307      2.00635   119.653     71.8822     96.535      251.882     
1 1 1 1  16 6  o 358.111 2.37357 238.859      4.40942   232.012      4.40212   345.195     7.4729      48.6415     7.47289     
1 1 1 1  16 7  o 174.116 2.03287 56.2264      1.83515   55.0374      1.83422   138.385     284.397     30.5118     104.397     
1 1 1 1  16 8  f 188.929 2.11592 64.4342      2.00167   66.5896      2.1422    193.972     292.083     0           0           
1 1 1 1  16 9  o 122.454 2.1154  27.7445      1.34082   27.2986      1.34459   106.717     270.21      3.59942     270.21      
1 1 1 1  16 10 o 104.318 2.13596 19.5376      1.15088   20.4496      1.15636   78.7103     109.765     19.0459     289.765     
1 1 1 1  16 11 o 89.1162 2.15655 14.65        0.997734  14.5408      0.991731  79.5975     348.133     16.5491     348.133     
1 1 1 1  16 12 f 175.446 2.18173 57.2862      1.98691   55.7381      1.98119   116.955     194.183     0           0           
1 1 1 1  16 13 o 42.6484 2.29622 2.9867       0.496332  3.75395      0.507084  6.96556     36.1064     11.2872     216.106     
1 1 1 1  16 14 o 102.018 2.02637 19.7278      1.07113   18.5201      1.06915   114.346     223.886     72.3431     223.886     
1 1 1 1  16 15 o 39.0436 2.42553 2.57247      0.481017  3.08267      0.488031  13.4607     255.395     78.7544     255.395     
1 1 1 1  16 16 o 172.862 2.06975 56.8011      1.85945   52.9493      1.84838   186.421     42.5307     74.2475     42.5307     
1 1 1 1  16 17 o 171.326 2.30167 54.2451      2.12605   53.5829      1.95965   163.081     56.3188     29.1599     56.3188     
1 1 1 1  16 18 o 105.477 2.21176 21.497       1.20995   19.429       1.20388   88.0069     316.126     1.04457     136.126     
1 1 1 1  16 19 o 61.9848 2.35184 7.60935      0.754513  6.56728      0.748488  25.8204     178.031     46.561      358.031     
1 1 1 1  16 20 o 52.3427 2.38758 4.9089       0.659367  5.2035       0.627466  23.0946     313.643     31.8973     133.643     
1 1 1 1  16 21 o 127.606 2.1058  29.704       1.39115   30.1113      1.39462   123.238     44.2844     29.5655     44.2844     
1 1 1 1  16 22 o 176.037 2.21668 56.0928      2.0892    57.7962      1.95148   166.495     302.76      29.794      302.76      
1 1 1 1  16 23 o 79.0029 2.37329 10.9699      0.966873  12.0342      0.97109   70.0816     337.853     14.8852     337.853     
1 1 1 1  16 24 o 64.6333 2.36495 7.59758      0.757896  7.80928      0.820851  7.44853     320.376     90.4975     140.376     
1 1 1 1  16 25 o 83.2081 2.31508 13.2419      0.954655  12.2802      1.03279   40.1945     234.086     56.7543     54.0861     
1 1 1 1  16 26 o 19.6558 3.9286  1.02949      0.44055   0.416374     0.43495   13.4225     46.2522     38.2937     46.2522     
1 1 1 1  16 27 o 72.8995 2.34904 10.1461      0.922004  9.47801      0.848848  54.9663     294.694     7.79256     114.694     
1 1 1 1  16 28 o 34.9294 2.84672 2.30066      0.506224  2.26842      0.505771  15.433      12.7934     15.2462     192.793     
1 1 1 1  16 29 o 76.8568 2.26685 11.4711      0.902898  10.3716      0.897809  55.506      283.898     16.7026     103.898     
1 1 1 1  16 30 o 33.3585 3.08149 2.09466      0.491988  2.1068       0.546557  16.5164     313.895     14.8389     133.895     
1 1 1 1  16 31 o 64.7856 2.52941 8.92981      0.851873  6.73986      0.830076  46.3644     357.966     12.9978     177.966     
1 1 1 1  16 32 o 62.2296 2.46867 7.34327      0.819519  7.06004      0.76665   49.0177     198.663     2.48022     18.6632     
1 1 1 1  16 33 f 81.6349 2.80627 11.7549      1.2202    13.1641      1.13806   77.3682     344.404     0           0           
1 1 1 1  16 34 o 62.5458 2.71725 7.43737      0.849999  7.22255      0.901573  53.7234     347.804     6.45902     347.804     
1 1 1 1  16 35 o 102.877 2.27574 19.2614      1.20897   20.1538      1.21487   84.5819     147.962     0.618391    327.963     
1 1 1 1  16 36 o 21.0701 3.75971 0.454846     0.423889  1.32052      0.447011  6.95508     152.805     14.3328     332.805     
1 1 1 1  16 37 o 34.9501 2.97775 2.13027      0.519706  2.5587       0.534621  24.1897     166.367     5.78258     346.367     
1 1 1 1  16 38 o 38.9169 2.90518 3.18548      0.579746  2.61372      0.570265  31.3198     117.651     1.66281     117.651     
1 1 1 1  16 39 o 28.4741 3.64946 1.5989       0.520269  1.61973      0.517354  17.0415     193.794     8.98466     13.7943     
1 1 1 1  16 40 o 74.9159 2.68591 11.3063      1.01556   10.0309      1.05728   54.2522     162.005     12.0675     342.005     
1 1 1 1  16 41 o 68.6444 2.52826 10.1096      0.905053  7.84939      0.879427  66.2793     193.664     23.3918     193.664     
1 1 1 1  16 42 o 39.1562 3.16965 2.52213      0.588441  3.52258      0.671655  36.8525     81.7156     14.3348     81.7156     
1 1 1 1  16 43 o 11.4758 3.58371 -0.0960044   0.393302  -0.0240836   0.441544  0.282092    147.048     8.78828     147.048     
1 1 1 1  16 44 o 35.6556 3.40476 2.48442      0.634326  2.61667      0.58853   26.1468     300.876     1.83663     120.876     
1 1 1 1  16 45 o 15.9156 4.42285 0.56649      0.615096  0.288907     0.449732  6.37846     18.598      5.53895     198.598     
1 1 1 1  16 46 o 49.8974 3.14432 5.25135      0.804965  4.7351       0.802516  36.773      298.837     3.41773     118.837     
1 1 1 1  16 47 o 19.5162 4.4743  1.31039      0.575406  0.343056     0.553215  11.2295     159.812     3.64726     339.812     
1 1 1 1  16 48 o 18.529  4.6135  0.677031     0.547194  0.878433     0.558012  9.68334     15.6546     4.30029     195.655     
1 1 1 1  16 49 o 33.5323 3.8272  3.08383      0.649901  1.89882      0.614381  24.452      141.517     0.103946    321.517     
1 1 1 1  16 50 o 16.1195 4.29306 0.84241      0.511955  0.195455     0.525141  6.22684     65.9785     0.183848    245.978     
1 1 1 1  16 51 o 10.8834 3.65088 -0.328764    0.584451  -0.410525    0.519628  0.245812    224.484     9.19491     224.484     
1 1 1 1  16 52 f 9.9977  3.40872 -0.250509    0.572637  -0.692453    0.449821  1.74808     248.598     0           0           
1 1 1 1  16 53 o 21.2339 5.00621 1.45246      0.66506   1.06704      0.636903  10.9305     219.421     3.95767     39.4212     
1 1 1 1  16 54 o 15.5996 4.44102 0.632845     0.548937  0.475549     0.557414  4.53223     189.904     2.94816     9.90368     
1 1 1 1  16 55 o 13.2181 4.11447 -0.055391    0.555082  0.444274     0.561163  2.34016     13.6658     4.19658     193.666     
1 1 1 1  16 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  17 0  o 158.643 2.02148 46.2016      1.66113   46.2016      1.66113   207.47      90          130.852     90          
1 1 1 1  17 1  o 167.716 2.02791 52.1714      1.76363   51.0789      1.76225   164.995     6.05545     37.7099     6.05545     
1 1 1 1  17 2  f 150.689 2.01053 41.0134      1.56794   42.3375      1.57271   121.263     358.113     0           0           
1 1 1 1  17 3  o 117.989 2.00926 25.2821      1.22828   25.8181      1.2294    98.3441     107.512     4.42977     287.512     
1 1 1 1  17 4  f 195.175 2.06084 69.0654      2.08269   70.774       2.08707   157.2       304.933     0           0           
1 1 1 1  17 5  o 73.1781 2.06255 9.72965      0.780226  9.95989      0.781326  39.4728     86.7982     38.1464     266.798     
1 1 1 1  17 6  o 203.04  2.0686  78.1516      2.18036   73.227       2.17247   206.083     100.433     56.1363     100.433     
1 1 1 1  17 7  o 192.546 2.12227 69.2701      2.04928   66.8547      2.18214   165.273     352.564     7.35578     172.564     
1 1 1 1  17 8  o 188.659 2.19022 65.3709      2.13924   65.3217      2.14451   160.04      296.424     10.5079     116.423     
1 1 1 1  17 9  o 147.97  2.15812 41.0684      1.65546   39.3384      1.65462   132.122     345.2       8.75079     345.2       
1 1 1 1  17 10 o 71.7514 2.14043 9.81861      0.822203  9.12514      0.766668  24.0981     52.1727     68.3741     232.173     
1 1 1 1  17 11 o 16.5122 3.56524 0.436876     0.338489  0.565482     0.331192  15.2779     181.118     34.829      181.118     
1 1 1 1  17 12 o 86.7458 2.13015 12.9698      0.91516   14.723       0.998173  73.1622     350.946     7.46502     350.946     
1 1 1 1  17 13 o 138.502 2.03735 33.6194      1.45687   36.8503      1.46664   80.5877     175.064     78.4523     355.064     
1 1 1 1  17 14 o 96.6077 2.06093 15.8536      1.02466   18.4985      1.03307   68.7843     95.0609     23.8182     275.061     
1 1 1 1  17 15 o 80.0565 2.10914 11.0652      0.867432  12.5264      0.878065  66.3035     222.459     5.17715     222.459     
1 1 1 1  17 16 o 134.929 2.13763 33.5607      1.53926   33.3044      1.4499    116.651     247.352     2.3467      247.352     
1 1 1 1  17 17 o 132.638 2.19575 32.4504      1.51091   32.177       1.50842   117.35      14.327      8.1063      14.327      
1 1 1 1  17 18 f 79.5138 2.26729 11.2645      0.929522  12.0105      0.935078  96.5191     25.6419     0           0           
1 1 1 1  17 19 o 12.5842 3.39258 0.382918     0.333319  -0.0980586   0.326835  6.31381     172.964     14.0624     172.964     
1 1 1 1  17 20 o 80.3094 2.16747 11.0063      0.891788  12.7619      0.906763  65.9278     86.7416     2.52247     86.7416     
1 1 1 1  17 21 o 67.1759 2.22527 8.69983      0.773995  7.93362      0.770319  53.201      213.251     4.01973     213.251     
1 1 1 1  17 22 o 156.28  2.22817 43.3797      1.85865   46.4587      1.744     138.952     8.98082     12.1012     8.98084     
1 1 1 1  17 23 o 39.6228 2.86616 3.15249      0.582797  2.70457      0.575453  11.359      106.996     20.8308     286.996     
1 1 1 1  17 24 o 172.477 2.24389 55.9883      1.93487   53.5155      2.0712    174.11      193.431     55.5874     193.431     
1 1 1 1  17 25 o 154.81  2.15739 43.7925      1.72608   44.4374      1.73641   150.713     9.57519     39.5037     9.57518     
1 1 1 1  17 26 o 110.261 2.33609 22.2538      1.33154   22.6106      1.33579   83.5053     78.3619     18.3472     258.362     
1 1 1 1  17 27 o 47.364  2.59871 3.9835       0.652506  4.36138      0.60945   32.5522     358.437     9.24218     178.437     
1 1 1 1  17 28 o 19.5042 3.58424 1.13743      0.402706  0.319775     0.386178  2.44685     265.061     23.6022     265.061     
1 1 1 1  17 29 o 92.0772 2.21866 16.1634      1.05932   15.2028      1.05485   75.2928     85.6476     2.30724     265.648     
1 1 1 1  17 30 o 65.2811 2.41206 7.2091       0.771329  8.65204      0.855858  38.7656     17.592      29.1952     197.592     
1 1 1 1  17 31 o 65.3566 2.53595 7.86306      0.853182  8.04963      0.858462  49.6292     65.2389     6.82131     245.239     
1 1 1 1  17 32 o 83.4488 2.53565 12.4861      1.12585   13.4864      1.05743   82.3725     65.5683     28.4386     65.5683     
1 1 1 1  17 33 o 26.3176 3.95449 1.68213      0.578018  1.08565      0.47257   13.4662     10.607      8.96699     190.607     
1 1 1 1  17 34 o 78.6873 2.54811 12.5975      1.04409   10.6428      1.02477   65.8137     321.345     3.08047     321.345     
1 1 1 1  17 35 o 52.2812 2.52639 4.78504      0.673037  5.51293      0.686138  41.2894     262.126     1.18613     82.1258     
1 1 1 1  17 36 o 41.4496 2.78165 3.71801      0.590886  2.83801      0.581533  36.6847     218.645     8.55379     218.645     
1 1 1 1  17 37 o 36.2207 2.99414 2.85403      0.554273  2.20336      0.541483  32.4712     311.419     9.47499     311.419     
1 1 1 1  17 38 o 12.4096 3.75827 -0.0969821   0.3846    0.157484     0.477924  6.78286     39.1979     29.3271     39.1979     
1 1 1 1  17 39 o 95.6069 2.82978 17.8028      1.33314   17.0779      1.45866   86.3402     281.839     18.9624     281.839     
1 1 1 1  17 40 o 74.9712 2.5484  10.5426      1.02127   10.8161      0.951034  68.9699     207.513     18.6427     207.513     
1 1 1 1  17 41 o 49.7893 3.05228 4.64888      0.835306  4.99233      0.711293  40.986      268.406     4.28621     268.406     
1 1 1 1  17 42 o 9.70872 3.1959  -0.256507    0.399634  -0.346588    0.382146  3.00748     126.638     13.3806     126.638     
1 1 1 1  17 43 o 52.0099 2.92804 5.50698      0.752516  5.07315      0.807771  41.621      143.65      2.48424     143.65      
1 1 1 1  17 44 o 10.0653 3.30726 -0.134922    0.399596  -0.530177    0.449953  1.23019     149.497     10.6654     149.497     
1 1 1 1  17 45 o 42.1003 3.24288 3.98761      0.729942  3.20526      0.661673  38.6332     344.163     13.5957     344.163     
1 1 1 1  17 46 f 20.1352 4.52454 0.674231     0.53972   1.16763      0.548446  10.0748     10.1166     0           0           
1 1 1 1  17 47 o 20.5067 4.54607 1.31075      0.560502  0.635516     0.565732  14.2651     232.404     5.78266     232.404     
1 1 1 1  17 48 o 41.5171 3.60148 2.66609      0.720017  4.82789      0.720958  32.7689     276.66      3.91872     276.66      
1 1 1 1  17 49 o 11.2723 3.598   0.19436      0.475124  -0.461649    0.449664  0.584382    297.18      5.34887     117.18      
1 1 1 1  17 50 o 14.2778 4.30116 0.277646     0.571479  0.328903     0.548136  4.18828     132.947     2.51458     312.947     
1 1 1 1  17 51 o 25.417  4.12398 2.7773       0.633944  0.472427     0.634711  14.0281     63.7852     6.9368      243.785     
1 1 1 1  17 52 o 16.3478 4.45379 0.996202     0.584931  0.225701     0.535871  2.71287     130.567     0.28365     310.567     
1 1 1 1  17 53 o 24.2302 4.53658 0.6249       0.666913  2.52806      0.687612  17.0032     92.1496     4.3739      92.1496     
1 1 1 1  17 54 o 25.9952 4.68316 1.49616      0.642204  2.15191      0.64351   19.6896     17.8222     6.26778     17.8222     
1 1 1 1  17 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  18 0  o 119.953 2.02087 26.436       1.25494   26.436       1.25494   121.136     270         29.409      270         
1 1 1 1  18 1  o 134.743 2.01551 32.0104      1.40391   34.6698      1.41013   106.122     286.782     18.999      106.782     
1 1 1 1  18 2  o 127.572 2.02207 28.4494      1.33379   31.3337      1.33839   112.689     134.301     8.52664     134.301     
1 1 1 1  18 3  o 50.7312 2.21899 4.88734      0.579931  4.60258      0.580961  20.3824     143.073     4.94605     323.073     
1 1 1 1  18 4  o 234.603 2.1313  101.433      2.59264   100.67       2.59104   245.452     170.167     80.8022     170.167     
1 1 1 1  18 5  o 136.132 2.02088 32.657       1.42234   35.4083      1.42821   142.621     251.916     54.9635     251.916     
1 1 1 1  18 6  o 179.777 2.12711 60.1797      1.91537   58.5065      2.04484   163.775     258.453     15.496      258.453     
1 1 1 1  18 7  f 61.5179 2.27141 7.33186      0.722826  6.61567      0.719456  54.1145     117.382     0           0           
1 1 1 1  18 8  o 60.2299 2.31331 6.76055      0.716093  6.60505      0.722774  26.173      244.257     13.2446     244.257     
1 1 1 1  18 9  o 82.1614 2.14096 12.8314      0.943118  11.9996      0.877646  64.4888     350.284     2.89552     170.284     
1 1 1 1  18 10 o 26.6586 3.12136 1.05275      0.405707  1.6646       0.416405  1.82586     247.847     7.45691     247.847     
1 1 1 1  18 11 o 161.161 2.1175  46.6044      1.70757   48.7927      1.8303    151.38      285.599     25.2407     285.599     
1 1 1 1  18 12 o 130.707 2.05718 30.9296      1.39197   31.8102      1.39547   123.465     223.567     24.7735     223.567     
1 1 1 1  18 13 o 28.3205 2.86783 1.30924      0.404055  1.71472      0.408031  3.36992     32.5749     23.122      32.5749     
1 1 1 1  18 14 o 237.694 2.15864 106.571      2.66437   101.008      2.6538    217.116     226.06      21.1707     226.06      
1 1 1 1  18 15 o 68.2096 2.2185  8.65914      0.805211  8.47214      0.759124  63.6807     118.117     29.1725     118.117     
1 1 1 1  18 16 o 187.948 2.24623 64.4977      2.18625   65.3242      2.19047   208.466     134.484     94.7108     134.484     
1 1 1 1  18 17 o 130.87  2.302   32.6933      1.5119    30.3109      1.60325   119.335     124.098     17.2966     124.098     
1 1 1 1  18 18 o 73.6334 2.32366 10.0735      0.885362  9.9021       0.883947  56.379      170.73      3.57602     350.73      
1 1 1 1  18 19 o 64.4117 2.23273 7.86908      0.746558  7.42615      0.739549  53.7909     218.13      15.4955     218.13      
1 1 1 1  18 20 o 127.451 2.11647 29.6593      1.39649   30.0698      1.4       127.1       268.554     41.8905     268.554     
1 1 1 1  18 21 o 20.1629 3.69574 0.847125     0.390434  0.714907     0.389849  18.3089     355.241     51.6596     355.241     
1 1 1 1  18 22 o 134.254 2.21334 32.8184      1.59138   33.5303      1.48612   105.285     101.485     16.0094     281.485     
1 1 1 1  18 23 o 38.8092 2.85922 2.9204       0.567756  2.70553      0.565113  21.1365     241.346     5.33593     61.3464     
1 1 1 1  18 24 o 109.416 2.24361 22.9254      1.2282    21.2572      1.30833   75.258      348.981     33.4895     168.981     
1 1 1 1  18 25 o 45.8405 2.50151 3.84855      0.591836  3.96102      0.587604  40.0108     297.977     11.8202     297.977     
1 1 1 1  18 26 o 27.8177 3.53459 1.55078      0.48716   1.42091      0.494117  0.283313    2.55278     40.9401     2.55279     
1 1 1 1  18 27 o 26.8329 3.61849 0.902055     0.470217  1.95384      0.493871  1.57117     266.439     34.6836     86.4394     
1 1 1 1  18 28 o 88.7001 2.22795 14.3992      1.02477   14.7364      1.02058   62.0017     115.185     22.7554     295.185     
1 1 1 1  18 29 o 37.4945 2.80187 2.8036       0.533099  2.49225      0.537441  30.6339     244.909     10.025      244.909     
1 1 1 1  18 30 o 40.8522 2.63625 3.18808      0.551448  3.07799      0.55259   30.0522     100.541     2.21375     280.541     
1 1 1 1  18 31 o 10.2071 3.25261 -0.100063    0.34828   -0.257967    0.382267  6.56705     182.714     18.1637     182.714     
1 1 1 1  18 32 o 19.9367 4.21102 1.07215      0.513348  0.486712     0.451515  4.16215     256.46      36.7144     256.46      
1 1 1 1  18 33 o 43.6199 2.91126 3.86613      0.662539  3.3728       0.637359  29.9197     133.222     9.20176     313.222     
1 1 1 1  18 34 o 60.7481 2.80474 6.60493      0.835998  7.36692      0.921341  49.2681     39.3666     0.650146    39.3663     
1 1 1 1  18 35 o 55.8068 2.63171 5.92359      0.720995  5.83882      0.790424  53.7221     218.554     18.4853     218.554     
1 1 1 1  18 36 o 11.3117 3.42117 -0.361272    0.389853  0.205261     0.37081   6.02644     359.11      25.0967     359.11      
1 1 1 1  18 37 o 42.9836 3.60432 3.00087      0.843392  4.29425      0.636336  36.2936     46.7986     5.68642     46.7986     
1 1 1 1  18 38 o 19.9627 3.61223 -0.291758    0.511163  1.6027       0.491971  6.90629     140.368     14.1353     320.368     
1 1 1 1  18 39 o 26.2574 4.0679  1.96886      0.53839   0.920564     0.559811  18.1689     67.0641     1.25596     247.064     
1 1 1 1  18 40 o 78.724  2.56288 10.9059      0.993472  12.7898      1.0932    70.9924     82.074      17.6453     82.074      
1 1 1 1  18 41 o 16.2397 4.0675  0.34622      0.440537  0.627983     0.430999  6.10401     242.252     6.29827     62.2522     
1 1 1 1  18 42 o 50.1217 2.81143 4.23248      0.70847   5.60916      0.730716  48.0924     48.6912     19.2115     48.6912     
1 1 1 1  18 43 o 22.335  4.29734 1.04792      0.509745  1.13644      0.512163  13.4142     111.14      4.37215     291.14      
1 1 1 1  18 44 o 38.1886 3.32562 2.93265      0.652141  3.0252       0.635954  20.0578     327.866     18.0667     147.866     
1 1 1 1  18 45 o 41.5513 3.28955 3.95974      0.733379  3.16801      0.65877   32.6527     1.41435     2.5756      1.41435     
1 1 1 1  18 46 o 37.0146 3.83593 3.70799      0.703984  2.2791       0.686911  27.7435     16.4411     0.647274    16.4412     
1 1 1 1  18 47 o 15.4369 4.23748 0.683405     0.481992  0.152801     0.543106  4.54046     292.663     0.633023    112.663     
1 1 1 1  18 48 o 32.7702 4.03483 2.63039      0.680461  2.25283      0.640422  28.7562     211.195     11.3598     211.195     
1 1 1 1  18 49 o 16.7401 4.60923 0.662712     0.592217  0.634358     0.558843  7.7254      77.6428     0.144052    257.643     
1 1 1 1  18 50 o 12.5659 3.93788 0.145853     0.497399  0.0472937    0.522914  0.12113     144.966     11.762      324.966     
1 1 1 1  18 51 o 14.8133 4.37711 0.245704     0.532548  0.600809     0.595506  2.98849     163.715     5.19978     343.715     
1 1 1 1  18 52 o 12.4559 3.94019 -0.392446    0.542289  0.387516     0.548556  0.93108     114.348     4.02308     294.348     
1 1 1 1  18 53 o 13.3594 4.20371 -0.0351781   0.577993  0.418854     0.606592  0.999812    65.6466     0.833129    245.647     
1 1 1 1  18 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  19 0  o 36.4847 2.53433 2.51262      0.467933  2.51262      0.467933  5.31376     90.0001     26.9069     270         
1 1 1 1  19 1  o 176.997 2.06266 57.2591      1.89116   57.7797      1.89372   186.282     74.9292     68.0356     74.9292     
1 1 1 1  19 2  o 44.3135 2.36114 3.45455      0.53589   3.80527      0.540011  15.9579     55.5502     6.21839     235.55      
1 1 1 1  19 3  o 158.606 2.04306 46.0186      1.67971   46.3536      1.67968   157.555     14.8233     43.1725     14.8233     
1 1 1 1  19 4  o 97.4987 2.04706 17.6826      1.03382   17.2558      1.03292   75.2228     168.885     11.9688     348.885     
1 1 1 1  19 5  o 62.5985 2.24319 6.93385      0.697748  7.50332      0.753556  31.6953     179.92      34.7117     359.92      
1 1 1 1  19 6  o 284.898 2.38827 153.573      3.5287    144.759      3.52313   284.811     91.9377     73.3973     91.9377     
1 1 1 1  19 7  o 24.2585 3.2555  1.25968      0.395145  0.985565     0.392486  10.1342     290.64      35.6407     290.64      
1 1 1 1  19 8  o 228.665 2.20655 94.7188      2.69767   97.3759      2.52768   232.728     287.975     69.3128     287.975     
1 1 1 1  19 9  o 103.445 2.19221 18.4581      1.17036   20.9277      1.17472   53.2584     240.134     69.011      60.1343     
1 1 1 1  19 10 o 189.308 2.15575 65.5707      2.04548   66.0872      2.18362   157.011     257.641     12.7491     77.6406     
1 1 1 1  19 11 o 124.176 2.05318 28.4091      1.32366   28.2309      1.31951   141.283     257.545     76.2144     257.545     
1 1 1 1  19 12 o 182.385 2.07259 61.5596      1.95918   60.6478      1.95962   202.773     252.185     94.0065     252.185     
1 1 1 1  19 13 o 141.028 2.05139 36.7737      1.50102   36.2966      1.4982    122.285     195.601     5.05315     195.601     
1 1 1 1  19 14 o 107.632 2.11336 20.9979      1.20699   21.6085      1.14707   70.8295     193.461     39.0239     13.4613     
1 1 1 1  19 15 o 121.848 2.19585 26.9394      1.38236   27.6793      1.38911   125.373     163.694     48.5149     163.694     
1 1 1 1  19 16 o 80.8072 2.26983 12.2551      0.892151  11.8012      1.00006   54.0271     205.053     22.6028     25.0525     
1 1 1 1  19 17 o 128.48  2.22493 31.3537      1.48596   29.4022      1.47552   118.921     132.271     23.206      132.271     
1 1 1 1  19 18 o 79.443  2.16477 11.6317      0.888644  11.6209      0.890921  49.3347     108.924     30.538      288.924     
1 1 1 1  19 19 o 55.3513 2.30608 5.72856      0.658025  5.59206      0.659329  45.496      78.2784     23.1736     78.2784     
1 1 1 1  19 20 o 104.652 2.12807 19.9646      1.15254   20.3889      1.15382   100.368     100.75      27.4687     100.75      
1 1 1 1  19 21 o 50.1675 2.37382 5.08875      0.6182    4.2521       0.60634   17.626      169.196     44.7346     349.196     
1 1 1 1  19 22 o 174.438 2.23125 55.6548      2.08468   56.5594      1.94676   170.483     220.251     46.031      220.251     
1 1 1 1  19 23 o 25.5778 3.50541 1.52945      0.451347  1.00896      0.442546  8.06566     243.26      6.05958     63.2604     
1 1 1 1  19 24 o 52.7086 2.4745  4.82963      0.645053  5.5029       0.699756  34.35       221.798     15.4396     41.7982     
1 1 1 1  19 25 o 58.707  2.33087 6.49148      0.70574   6.29693      0.707038  36.2969     339.214     22.3252     159.214     
1 1 1 1  19 26 o 59.2331 2.46381 7.36654      0.723822  5.73376      0.766489  40.6773     202.907     13.9558     22.907      
1 1 1 1  19 27 o 43.7281 2.78172 3.96275      0.62692   3.2325       0.616087  19.6228     341.665     29.6926     161.665     
1 1 1 1  19 28 o 50.5227 2.53575 5.05548      0.686307  4.49706      0.633564  40.2771     74.9662     0.935223    74.9663     
1 1 1 1  19 29 o 46.9566 2.86363 4.61499      0.622139  3.72261      0.731973  37.6433     225.448     1.64828     225.447     
1 1 1 1  19 30 o 63.1378 2.60244 7.7798       0.777216  7.18002      0.906429  55.4053     125.319     9.08655     125.319     
1 1 1 1  19 31 o 18.2061 4.45256 0.60442      0.550354  0.60262      0.473753  5.00134     294.45      35.5562     294.45      
1 1 1 1  19 32 o 46.3769 3.33196 3.80407      0.832762  4.4727       0.725779  37.8025     76.0178     2.32293     76.0178     
1 1 1 1  19 33 f 50.6139 2.91041 4.25464      0.792621  5.52347      0.68962   40.8229     32.6155     0           0           
1 1 1 1  19 34 o 18.4875 4.01792 1.1034       0.478251  0.103953     0.482142  9.22195     342.357     2.69977     162.357     
1 1 1 1  19 35 o 24.9606 3.97743 1.07469      0.447121  1.47044      0.559913  17.9224     49.4564     0.939612    49.4564     
1 1 1 1  19 36 o 27.8338 3.68517 1.57817      0.496022  1.53203      0.527649  12.7209     332.885     16.5305     152.885     
1 1 1 1  19 37 o 20.7016 4.19466 0.87485      0.469786  0.893416     0.476727  12.4457     301.806     1.15627     121.806     
1 1 1 1  19 38 o 41.1974 3.07519 3.65447      0.642586  2.98293      0.64396   21.9279     217.147     20.1288     37.1466     
1 1 1 1  19 39 o 10.3115 3.29458 -0.0594143   0.384171  -0.26231     0.370665  1.88116     40.1839     11.2865     40.1839     
1 1 1 1  19 40 o 28.0628 3.79668 1.21664      0.523033  2.08267      0.535918  25.059      33.0858     18.3252     33.0858     
1 1 1 1  19 41 o 19.2758 4.33212 0.821562     0.479846  0.762511     0.494338  10.2155     175.499     4.9703      355.499     
1 1 1 1  19 42 o 29.578  3.81461 1.32001      0.552166  2.42855      0.558508  24.9959     160.876     7.25063     160.876     
1 1 1 1  19 43 o 15.5847 3.95211 0.841815     0.46218   -0.060783    0.45654   5.66212     17.4651     8.26882     197.465     
1 1 1 1  19 44 o 41.3098 3.22026 4.01891      0.684533  3.01517      0.660578  29.872      71.0238     2.44548     251.024     
1 1 1 1  19 45 o 26.1452 4.26525 1.71677      0.571934  1.41576      0.562794  13.4889     4.46138     10.407      184.461     
1 1 1 1  19 46 o 13.4634 4.05842 0.26081      0.513388  0.150883     0.483903  1.62103     304.865     1.24386     124.865     
1 1 1 1  19 47 o 14.093  4.15661 0.529925     0.504392  -0.0463381   0.55709   3.88389     178.211     3.13345     358.211     
1 1 1 1  19 48 o 16.0896 4.45494 0.964483     0.585652  0.00380184   0.596556  6.34124     283.76      4.3693      103.76      
1 1 1 1  19 49 o 9.93534 3.36241 -0.1197      0.521629  -0.803289    0.457658  0.786825    175.527     4.89644     175.527     
1 1 1 1  19 50 o 10.898  3.57296 -4.61442e-05 0.483466  -0.3819      0.4906    0.616804    324.233     5.67579     324.233     
1 1 1 1  19 51 o 12.3718 3.95525 -0.083387    0.518739  0.174222     0.565781  0.834951    20.7859     6.86432     200.786     
1 1 1 1  19 52 o 13.587  4.1706  -0.19293     0.546669  0.636637     0.590774  1.94832     215.628     1.36638     35.6276     
1 1 1 1  19 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  20 0  o 90.6655 2.09426 15.1302      0.981862  15.1302      0.981862  119.859     89.9999     90.1789     89.9999     
1 1 1 1  20 1  o 118.831 2.06676 25.6884      1.27216   26.1848      1.27389   101.802     172.161     3.54125     172.161     
1 1 1 1  20 2  o 73.3035 2.13743 9.25056      0.805549  10.5464      0.813101  51.702      160.824     13.7334     340.824     
1 1 1 1  20 3  o 141.441 2.05414 35.7773      1.50182   37.7265      1.50966   138.963     301.678     38.4912     301.678     
1 1 1 1  20 4  o 148.092 2.12429 41.0148      1.57501   39.5707      1.68229   121.8       3.34242     8.80676     183.342     
1 1 1 1  20 5  o 48.1188 2.45466 4.62521      0.606003  3.94664      0.607037  27.1901     85.0514     0.578703    265.051     
1 1 1 1  20 6  o 56.7675 2.29063 5.77962      0.688552  6.10657      0.651934  25.5677     66.3906     36.0071     246.391     
1 1 1 1  20 7  o 132.488 2.048   32.0512      1.40786   32.4385      1.40505   109.691     178.744     4.6232      358.744     
1 1 1 1  20 8  o 60.3571 2.35246 7.21839      0.735845  6.235        0.727941  23.6121     25.9227     47.6046     205.923     
1 1 1 1  20 9  f 132.277 2.18122 31.4966      1.49503   32.825       1.4957    103.771     294.341     0           0           
1 1 1 1  20 10 o 97.1629 2.06218 17.3938      1.0384    17.3321      1.03649   91.9046     199.221     26.2806     199.221     
1 1 1 1  20 11 o 69.8318 2.12437 9.88775      0.771294  8.116        0.758506  58.2522     46.7554     11.3199     46.7554     
1 1 1 1  20 12 o 196.604 2.10113 72.9296      2.14364   69.2084      2.13799   188.436     335.992     42.5819     335.992     
1 1 1 1  20 13 o 219.01  2.20551 87.2043      2.5711    89.2422      2.43275   196.326     290.898     19.3298     290.898     
1 1 1 1  20 14 o 53.6192 2.36661 5.61564      0.655444  5.01802      0.652069  7.27624     229.914     69.7031     49.914      
1 1 1 1  20 15 o 59.932  2.28836 7.14923      0.687879  6.13226      0.722152  39.4201     289.159     13.6067     109.159     
1 1 1 1  20 16 o 49.4499 2.45685 4.41368      0.623767  4.6445       0.627497  37.8681     28.8401     15.7538     28.8401     
1 1 1 1  20 17 o 90.47   2.19559 15.1521      1.05765   15.0298      0.997911  103.606     167.538     62.3713     167.538     
1 1 1 1  20 18 o 101.026 2.11265 19.0092      1.10821   18.6212      1.10202   90.7994     240.126     13.6017     240.126     
1 1 1 1  20 19 o 66.8746 2.21569 7.95487      0.762589  8.57857      0.768651  39.2467     235.977     31.4455     55.9767     
1 1 1 1  20 20 f 52.7478 2.33128 5.18126      0.635765  5.1316       0.632713  45.1366     292.087     0           0           
1 1 1 1  20 21 f 13.3272 3.49324 0.0406447    0.332528  0.415858     0.338161  29.4862     259.458     0           0           
1 1 1 1  20 22 o 48.9152 2.51136 4.17406      0.650607  4.74071      0.608338  18.3834     25.3031     41.6049     205.303     
1 1 1 1  20 23 o 30.8449 3.21102 1.50667      0.490596  2.14362      0.492945  11.2377     287.511     4.58955     287.511     
1 1 1 1  20 24 o 41.4082 3.27631 3.80208      0.569123  2.73168      0.744717  36.0335     128.651     13.4504     128.651     
1 1 1 1  20 25 o 16.2258 3.44271 -0.118278    0.349988  0.956527     0.406992  7.65082     19.7536     32.8857     19.7536     
1 1 1 1  20 26 o 19.1841 3.96149 0.835199     0.423579  0.592881     0.420244  3.5409      156.448     31.6647     156.448     
1 1 1 1  20 27 o 60.2636 2.6973  6.78411      0.874909  6.84428      0.799277  58.1619     291.587     20.3167     291.587     
1 1 1 1  20 28 o 21.4384 4.48548 1.12227      0.66524   0.730327     0.404679  8.49519     346.525     9.30813     166.525     
1 1 1 1  20 29 o 33.8478 3.07591 2.79755      0.519212  1.66797      0.505759  25.956      66.9399     0.995174    66.9397     
1 1 1 1  20 30 o 30.4938 3.58351 2.15324      0.519442  1.51354      0.556636  15.3465     21.0047     15.9663     201.005     
1 1 1 1  20 31 f 21.6039 4.10089 0.804509     0.449843  1.08058      0.491469  16.4435     30.4276     0           0           
1 1 1 1  20 32 o 56.7307 2.69027 5.9815       0.781809  6.20661      0.791228  44.0962     36.8495     2.29963     216.849     
1 1 1 1  20 33 o 29.3951 3.36241 1.80358      0.501362  1.59551      0.487752  26.8876     134.019     12.4928     134.019     
1 1 1 1  20 34 o 39.139  3.03305 3.384        0.638585  2.57004      0.570109  18.3016     279.684     24.6085     99.684      
1 1 1 1  20 35 o 64.538  2.67715 7.72143      0.889322  8.16644      0.89356   63.9639     54.5649     26.4096     54.5648     
1 1 1 1  20 36 o 18.7832 4.02042 0.397843     0.443943  1.00929      0.45135   5.97245     202.383     13.3454     22.3825     
1 1 1 1  20 37 o 18.6536 3.70193 -0.0621325   0.439636  1.33301      0.47683   0.811295    110.812     28.2745     110.812     
1 1 1 1  20 38 o 14.8771 3.98142 0.408156     0.427807  0.325316     0.415162  3.71844     146.979     9.33295     326.979     
1 1 1 1  20 39 o 34.2713 3.30102 2.5644       0.568353  2.15791      0.569321  27.3373     5.21007     3.49293     5.21007     
1 1 1 1  20 40 o 33.2957 3.45415 2.53737      0.580772  2.00385      0.569756  27.4594     112.145     5.61564     112.145     
1 1 1 1  20 41 o 17.1561 4.20597 0.765        0.468401  0.448882     0.458554  7.62468     120.807     6.79295     300.807     
1 1 1 1  20 42 f 16.1285 3.59136 -0.513561    0.451629  1.14246      0.461999  16.8822     204.693     0           0           
1 1 1 1  20 43 o 13.3994 3.75739 0.635669     0.453631  -0.424123    0.448372  2.47307     103.224     9.78455     283.224     
1 1 1 1  20 44 o 23.0604 4.28564 1.59532      0.543224  0.903382     0.522739  17.4435     325.064     7.81667     325.064     
1 1 1 1  20 45 o 15.3474 4.22336 0.420178     0.472586  0.531266     0.494093  4.71829     81.856      0.644148    261.856     
1 1 1 1  20 46 o 16.6694 4.54527 0.643325     0.566034  0.618308     0.545007  7.56522     36.3373     1.97392     216.337     
1 1 1 1  20 47 o 18.6368 4.71987 0.608167     0.543863  1.18625      0.630791  9.81615     131.578     0.344107    131.578     
1 1 1 1  20 48 o 15.0417 4.49546 0.242978     0.631836  0.565133     0.591282  2.42781     180.627     1.4411      0.627258    
1 1 1 1  20 49 o 13.4985 3.97346 0.769542     0.551205  -0.493903    0.48186   1.80085     124.522     5.26962     304.522     
1 1 1 1  20 50 o 15.3815 4.3672  0.812778     0.562367  0.214281     0.537547  4.36131     241.106     6.60275     61.106      
1 1 1 1  20 51 f 22.7899 4.73324 1.61639      0.606897  1.23989      0.595181  10.7774     90.9841     0           0           
1 1 1 1  20 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  21 0  o 58.6124 2.24497 6.36192      0.677469  6.36192      0.677469  29.2504     90          41.4737     270         
1 1 1 1  21 1  o 31.3748 2.80563 2.24211      0.440641  1.48224      0.43495   3.67223     227.861     37.7703     227.861     
1 1 1 1  21 2  o 207.62  2.12094 79.9226      2.28455   78.5688      2.28054   216.736     293.434     81.0269     293.434     
1 1 1 1  21 3  o 88.8203 2.20289 14.896       0.976789  14.1578      1.04506   66.8082     298.252     10.264      118.252     
1 1 1 1  21 4  o 188.565 2.23906 66.6564      2.18848   64.1454      2.18801   169.696     11.2415     19.5057     11.2415     
1 1 1 1  21 5  o 131.102 2.13048 31.4852      1.49231   31.7208      1.40156   121.102     298.87      23.5561     298.87      
1 1 1 1  21 6  o 159.77  2.06991 47.2049      1.71249   46.6565      1.71597   142.854     350.468     16.2129     350.468     
1 1 1 1  21 7  o 43.4006 2.47673 3.75256      0.574619  3.23792      0.530383  20.4391     87.021      3.98255     267.021     
1 1 1 1  21 8  o 115.666 2.19773 25.5209      1.32087   23.7562      1.31116   95.9834     324.838     0.417602    144.838     
1 1 1 1  21 9  o 62.4398 2.17006 6.74961      0.697398  7.64468      0.701133  38.6943     77.807      28.5069     77.807      
1 1 1 1  21 10 o 56.307  2.22051 5.58187      0.64273   6.13136      0.647438  20.6993     92.2073     47.4114     272.207     
1 1 1 1  21 11 o 113.028 2.04392 23.4552      1.1977    23.5831      1.19535   98.0857     101.838     8.11271     101.838     
1 1 1 1  21 12 o 119.691 2.1256  25.6176      1.34963   27.1545      1.28296   85.9346     112.775     28.7732     292.775     
1 1 1 1  21 13 o 109.685 2.17554 23.0073      1.23842   21.361       1.23194   97.3917     177.175     12.1383     177.175     
1 1 1 1  21 14 o 41.8271 2.45539 3.20776      0.520527  3.29274      0.534634  30.7384     11.3965     1.65884     11.3966     
1 1 1 1  21 15 o 65.2616 2.30435 8.30856      0.77915   7.45478      0.773496  62.2208     76.5331     20.0141     76.5331     
1 1 1 1  21 16 o 59.0228 2.33586 6.7431       0.714881  6.16431      0.707895  50.8057     216.827     7.7413      216.828     
1 1 1 1  21 17 o 80.8686 2.14018 12.4617      0.895718  11.7043      0.894749  76.7853     68.5176     21.4831     68.5177     
1 1 1 1  21 18 o 47.6603 2.4809  4.10074      0.579593  4.35056      0.637534  41.3106     166.932     10.7079     166.932     
1 1 1 1  21 19 o 24.0605 3.68781 1.42915      0.409106  0.825798     0.489056  6.25771     198.818     6.41569     18.8179     
1 1 1 1  21 20 o 30.2467 2.86926 1.84297      0.439784  1.62185      0.435822  10.9041     158.034     20.7905     338.034     
1 1 1 1  21 21 o 30.2791 3.12223 1.31239      0.469494  2.23925      0.448255  18.0343     6.48445     2.87251     6.48445     
1 1 1 1  21 22 o 20.7168 3.98236 0.829363     0.496874  0.843888     0.384646  3.77536     94.8966     8.47585     274.897     
1 1 1 1  21 23 f 69.8382 2.5313  8.61387      0.943594  9.59791      0.875493  50.3263     173.149     0           0           
1 1 1 1  21 24 o 25.9538 3.42951 1.0343       0.422469  1.6152       0.465148  15.4632     320.251     0.946374    320.251     
1 1 1 1  21 25 o 16.2712 3.66038 0.728633     0.369167  0.214166     0.370097  4.67586     96.9651     29.7597     96.9651     
1 1 1 1  21 26 o 39.324  2.8698  3.2854       0.548334  2.60614      0.590254  17.4891     58.2946     27.0113     238.295     
1 1 1 1  21 27 o 57.0649 2.47475 6.19051      0.698951  6.0393       0.755922  52.0701     185.211     13.239      185.211     
1 1 1 1  21 28 o 18.2314 3.82885 0.986279     0.421522  0.256977     0.4223    7.99292     18.8452     1.55651     198.845     
1 1 1 1  21 29 f 53.3044 2.64974 5.53985      0.726149  5.19938      0.72811   39.3023     282.272     0           0           
1 1 1 1  21 30 o 55.2361 2.7062  6.25165      0.798944  5.33255      0.74095   44.7382     88.5857     1.77297     88.5857     
1 1 1 1  21 31 o 17.298  3.9429  0.154301     0.398452  0.953715     0.47393   5.34939     14.7016     11.2106     194.702     
1 1 1 1  21 32 o 19.3189 4.1868  0.713308     0.457036  0.793637     0.461455  10.5338     305.321     1.33134     125.321     
1 1 1 1  21 33 o 9.77651 3.13648 -0.442563    0.36286   -0.0124612   0.349291  0.628134    9.83259     3.29707     9.83259     
1 1 1 1  21 34 o 41.3798 3.05304 4.14267      0.674436  2.6046       0.600792  30.6535     95.1083     2.32117     275.108     
1 1 1 1  21 35 o 30.5598 3.95341 2.44011      0.623973  1.44418      0.575866  27.7886     294.967     12.702      294.967     
1 1 1 1  21 36 o 9.75067 3.17982 -0.90127     0.345894  0.0985664    0.433831  1.01107     198.943     6.28291     198.943     
1 1 1 1  21 37 o 30.6787 3.55583 1.88897      0.556248  1.94623      0.534837  20.3587     309.538     4.83155     129.538     
1 1 1 1  21 38 o 43.9133 2.93045 3.17172      0.641838  4.48373      0.66091   36.9247     42.8691     7.10624     42.8691     
1 1 1 1  21 39 o 11.8377 3.60636 -0.10728     0.406131  0.173277     0.408195  1.56003     197.803     2.40395     17.8027     
1 1 1 1  21 40 o 25.316  4.04531 1.21411      0.519342  1.60417      0.520852  10.9934     163.748     15.0151     343.749     
1 1 1 1  21 41 o 41.7457 3.23101 4.34918      0.680378  2.86786      0.66591   37.1593     329.139     12.2667     329.139     
1 1 1 1  21 42 o 16.4486 4.23389 0.818314     0.493631  0.288936     0.479674  6.9203      85.8422     4.55137     265.842     
1 1 1 1  21 43 o 43.7395 3.20315 3.70118      0.713641  4.28895      0.713234  36.2679     40.6536     8.09953     40.6536     
1 1 1 1  21 44 o 15.1537 4.20575 0.344757     0.486802  0.560287     0.485192  5.29428     3.75518     4.34559     183.755     
1 1 1 1  21 45 o 21.8128 4.44548 1.55488      0.559872  0.813139     0.545597  14.2483     14.7519     0.919699    14.7519     
1 1 1 1  21 46 o 12.0007 3.53598 0.739809     0.50342   -1.39305     0.422103  0.256121    13.3806     9.0054      193.381     
1 1 1 1  21 47 o 21.5762 5.1874  1.38086      0.674684  1.2637       0.717503  12.2039     351.262     0.875639    351.262     
1 1 1 1  21 48 o 16.3115 4.49972 0.909535     0.565257  0.296402     0.585957  5.08366     261.965     1.36878     81.9653     
1 1 1 1  21 49 o 15.9614 4.51683 0.760333     0.601424  0.494911     0.532497  5.68331     150.423     2.11503     330.423     
1 1 1 1  21 50 o 12.963  4.04842 0.286122     0.535168  0.0786142    0.536666  1.85031     217.043     1.54051     37.0425     
1 1 1 1  22 0  o 176.402 2.10049 57.2         1.91945   57.2         1.91945   212.409     90          124.426     90          
1 1 1 1  22 1  o 110.086 2.10135 22.7303      1.19862   21.9179      1.19714   100.901     267.78      19.2751     267.78      
1 1 1 1  22 2  o 137.373 2.16423 35.621       1.49001   33.8805      1.58745   107.668     46.2201     15.3355     226.22      
1 1 1 1  22 3  o 54.9637 2.43132 5.60621      0.682814  5.57523      0.695554  34.7749     70.2601     16.1327     250.26      
1 1 1 1  22 4  o 50.0997 2.38024 5.15505      0.635902  4.16567      0.591706  28.4824     84.3371     20.3209     264.337     
1 1 1 1  22 5  o 60.9632 2.19666 6.13772      0.683778  7.62915      0.694709  42.2958     56.8999     12.4683     236.9       
1 1 1 1  22 6  f 15.3135 3.50246 0.215399     0.345216  0.582107     0.319685  43.4257     23.2918     0           0           
1 1 1 1  22 7  o 27.7837 3.11226 1.67189      0.436727  1.26955      0.425498  8.87904     311.739     9.52975     131.739     
1 1 1 1  22 8  o 72.8674 2.19924 10.0247      0.801484  9.58508      0.85366   64.1527     17.3521     9.81685     17.3521     
1 1 1 1  22 9  o 58.7878 2.19947 6.28678      0.666983  6.49167      0.668632  54.1818     47.8418     15.7442     47.8418     
1 1 1 1  22 10 o 48.0745 2.29855 4.03299      0.566541  4.54141      0.570934  33.3692     142.233     8.18976     322.233     
1 1 1 1  22 11 o 59.5371 2.19028 7.02633      0.674683  6.10106      0.670235  34.5135     338.928     27.4177     158.928     
1 1 1 1  22 12 o 148.074 2.42144 40.3923      1.6714    40.6646      2.02744   119.09      333.814     9.66359     153.814     
1 1 1 1  22 13 o 14.3169 3.48194 0.574346     0.317413  -0.130729    0.413709  8.49327     179.026     26.7545     179.026     
1 1 1 1  22 14 o 9.02267 2.81251 -0.0167295   0.259512  -0.142238    0.256496  5.42123     39.1655     12.5307     39.1655     
1 1 1 1  22 15 o 49.3793 2.51949 4.19797      0.661193  4.89373      0.61146   40.9277     311.297     6.08549     311.297     
1 1 1 1  22 16 o 110.22  2.27788 22.8547      1.40767   22.132       1.18588   97.7006     243.841     13.5907     243.841     
1 1 1 1  22 17 o 119.946 2.26169 25.7667      1.50329   27.5257      1.29041   108.109     184.963     18.2481     184.963     
1 1 1 1  22 18 o 57.5821 2.35645 5.72686      0.717853  6.62246      0.675883  47.8809     187.541     4.55714     187.541     
1 1 1 1  22 19 o 142.465 2.18519 37.9718      1.55802   37.2273      1.66629   138.584     146.319     42.1794     146.319     
1 1 1 1  22 20 f 49.0689 2.59269 4.63563      0.603572  4.3854       0.698417  41.347      120.354     0           0           
1 1 1 1  22 21 o 119.315 2.22247 25.9997      1.31943   26.9108      1.42665   103.115     251.873     10.4626     251.873     
1 1 1 1  22 22 o 75.1875 2.32058 10.2952      0.932191  10.7911      0.869116  73.4113     62.0433     25.582      62.0433     
1 1 1 1  22 23 o 20.2024 3.74094 1.14606      0.417225  0.464662     0.415346  6.09664     267.694     13.6015     87.6945     
1 1 1 1  22 24 o 43.631  2.61745 3.46013      0.572469  3.72902      0.60041   32.8048     354.532     2.81661     174.532     
1 1 1 1  22 25 o 47.5672 2.53186 4.61333      0.618987  3.92336      0.617061  39.1214     331.423     3.20361     331.423     
1 1 1 1  22 26 o 21.5589 3.63717 1.23341      0.417666  0.635597     0.401177  12.032      339.893     5.40991     159.893     
1 1 1 1  22 27 o 33.472  3.16871 2.4043       0.507359  1.93722      0.550957  16.3542     33.6982     19.175      213.698     
1 1 1 1  22 28 o 32.4275 3.56296 2.13436      0.56842   2.00513      0.58906   10.9859     358.939     28.2518     178.939     
1 1 1 1  22 29 o 82.3853 2.65872 12.0021      1.22933   13.7492      1.00049   72.4294     117.638     13.4831     117.638     
1 1 1 1  22 30 o 17.0982 3.99426 0.700503     0.411265  0.409748     0.427562  4.92909     103.408     11.6806     283.408     
1 1 1 1  22 31 o 25.75   3.74601 0.989931     0.462509  1.73718      0.508491  11.2652     111.835     15.426      291.835     
1 1 1 1  22 32 f 46.4582 2.94159 4.06213      0.69679   4.29221      0.704762  32.0508     297.042     0           0           
1 1 1 1  22 33 f 16.2491 4.09752 0.451503     0.458961  0.519802     0.414618  15.48       205.736     0           0           
1 1 1 1  22 34 f 48.7183 2.80586 5.1029       0.721972  4.11762      0.68015   34.1535     349.11      0           0           
1 1 1 1  22 35 o 72.2463 3.01174 10.8711      1.09342   9.58092      1.14366   65.5962     188.495     19.0833     188.495     
1 1 1 1  22 36 o 42.6574 3.29046 4.04443      0.672334  3.2686       0.737747  35.5028     352.865     6.42884     352.865     
1 1 1 1  22 37 o 26.9469 3.83117 1.92296      0.525501  1.1856       0.508079  20.1171     69.519      1.68059     69.519      
1 1 1 1  22 38 o 19.626  4.0891  0.431915     0.473828  1.23892      0.483067  13.3523     338.571     6.59189     338.571     
1 1 1 1  22 39 f 14.7688 4.01363 0.235045     0.447317  0.52334      0.433315  10.9007     214.121     0           0           
1 1 1 1  22 40 o 25.5394 4.14249 1.37186      0.541897  1.5688       0.532713  21.7659     112.351     11.1706     112.351     
1 1 1 1  22 41 o 22.6224 4.33658 1.50247      0.543113  0.912678     0.521565  14.6182     130.711     0.186196    310.711     
1 1 1 1  22 42 o 17.031  4.35204 0.476829     0.495938  0.830035     0.506517  7.98997     186.451     1.29434     6.45066     
1 1 1 1  22 43 o 21.7971 4.37239 0.757116     0.545125  1.56795      0.545795  15.197      149.986     3.73184     149.986     
1 1 1 1  22 44 o 15.9758 4.37069 0.567471     0.531875  0.579608     0.498759  5.85824     280.273     3.24845     100.273     
1 1 1 1  22 45 o 16.2754 4.38317 0.429766     0.522247  0.787309     0.521111  3.92523     116.771     0.660404    296.771     
1 1 1 1  22 46 o 13.0475 4.00246 -0.702595    0.625159  0.549941     0.524611  1.07498     254.39      3.35795     74.3899     
1 1 1 1  22 47 f 10.7544 3.57372 0.0136254    0.512531  -0.664461    0.533464  6.6564      12.3893     0           0           
1 1 1 1  22 48 o 12.1427 3.89308 -0.0381563   0.510652  0.116316     0.548006  1.17567     210.394     2.92678     30.3943     
1 1 1 1  22 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  23 0  o 52.0406 2.50592 5.05377      0.668676  5.05377      0.668676  41.1124     90          5.32759     270         
1 1 1 1  23 1  o 51.7713 2.50234 4.6852       0.662866  5.28062      0.670625  24.9551     85.7506     32.8421     265.751     
1 1 1 1  23 2  o 60.7819 2.43351 6.92173      0.762886  6.77815      0.764212  49.2287     276.506     1.46977     276.506     
1 1 1 1  23 3  o 153.097 2.17553 42.413       1.77856   44.0994      1.67      141.014     224.082     26.6315     224.082     
1 1 1 1  23 4  o 27.8578 2.93248 1.69859      0.404835  1.25861      0.408129  1.08395     312.267     37.6721     132.267     
1 1 1 1  23 5  o 87.3675 2.39086 14.1554      1.0302    14.1057      1.12868   63.4527     244.964     16.8607     64.964      
1 1 1 1  23 6  o 81.8049 2.57359 13.0192      0.975112  11.8221      1.17941   77.3635     355.608     21.7706     355.608     
1 1 1 1  23 7  o 129.491 2.14676 31.2303      1.38889   30.6839      1.49022   127.72      335.689     40.9369     335.689     
1 1 1 1  23 8  o 55.2372 2.23759 5.72529      0.642587  5.58698      0.633425  33.9379     21.1393     20.2476     201.139     
1 1 1 1  23 9  o 23.3228 3.47449 0.820031     0.445863  1.29126      0.366487  5.22394     284.958     6.79042     104.958     
1 1 1 1  23 10 o 115.761 2.26798 25.1172      1.46522   24.4881      1.24753   102.042     291.953     13.1143     291.953     
1 1 1 1  23 11 o 72.1849 2.43611 9.53577      0.980254  9.81714      0.828189  73.297      109.725     31.6223     109.725     
1 1 1 1  23 12 o 29.4318 2.87539 1.88743      0.427341  1.41349      0.419591  13.8898     147.618     11.4371     327.618     
1 1 1 1  23 13 f 38.3208 2.59291 2.75632      0.480247  2.74789      0.535379  40.6337     80.5172     0           0           
1 1 1 1  23 14 o 114.929 2.38064 23.9794      1.28874   25.0793      1.53829   99.5136     205.26      10.2097     205.26      
1 1 1 1  23 15 o 42.0876 2.5555  3.55069      0.551276  3.09445      0.550714  37.1679     219.257     12.1594     219.257     
1 1 1 1  23 16 o 17.2005 3.52271 0.647746     0.334625  0.493685     0.333083  0.260698    109.304     14.4696     289.304     
1 1 1 1  23 17 o 17.5704 3.32292 0.938774     0.340467  0.239143     0.332992  2.28901     222.445     10.1763     42.4454     
1 1 1 1  23 18 o 57.3215 2.2493  6.23521      0.663371  6.0179       0.667798  38.0969     157.157     15.7364     337.157     
1 1 1 1  23 19 o 61.5146 2.2233  6.88978      0.704676  7.22551      0.708258  42.3033     23.1417     14.2926     203.142     
1 1 1 1  23 20 o 46.0545 2.41043 3.95131      0.573671  4.01003      0.568967  32.3056     162.641     8.00648     342.641     
1 1 1 1  23 21 o 25.6896 3.25718 1.35175      0.423003  1.22357      0.412493  11.2417     356.783     15.2459     176.783     
1 1 1 1  23 22 o 57.7373 2.44866 6.22335      0.753788  6.29207      0.703882  49.9731     72.8867     8.0373      72.8867     
1 1 1 1  23 23 o 16.6586 3.91818 0.489222     0.400879  0.545685     0.391258  2.25532     53.0208     17.3475     233.021     
1 1 1 1  23 24 o 12.254  3.51324 0.18072      0.340168  0.0908695    0.35741   4.03528     303.429     22.2037     303.429     
1 1 1 1  23 25 o 99.6422 2.18125 18.1889      1.11979   18.9538      1.13058   87.1438     101.064     14.4312     101.064     
1 1 1 1  23 26 o 23.556  3.61293 1.53925      0.436448  0.723065     0.434298  7.75571     260.132     19.1145     80.1323     
1 1 1 1  23 27 o 42.8081 2.86353 3.37388      0.622718  3.66471      0.632432  31.3207     241.164     3.71843     61.1639     
1 1 1 1  23 28 o 44.1479 3.08234 3.76103      0.716351  3.78722      0.674952  36.4633     224.034     4.92274     224.034     
1 1 1 1  23 29 o 44.2558 3.13277 3.55387      0.700962  4.07455      0.714903  33.3029     136.227     1.58736     316.227     
1 1 1 1  23 30 o 19.367  4.02622 0.737445     0.429833  0.803765     0.432578  10.5326     40.6862     1.90833     220.686     
1 1 1 1  23 31 o 49.7021 2.77736 4.78935      0.678539  4.73838      0.738832  46.8012     117.25      17.5805     117.25      
1 1 1 1  23 32 o 16.7258 3.63132 -0.375104    0.439212  1.14261      0.465993  6.82555     254.188     0.770206    254.188     
1 1 1 1  23 33 o 49.8976 2.97312 4.75091      0.807969  5.01444      0.706924  45.3337     69.9566     14.5646     69.9566     
1 1 1 1  23 34 o 29.6849 3.85941 1.63115      0.556365  2.0688       0.586726  22.4959     227.18      1.83886     227.18      
1 1 1 1  23 35 o 36.6974 3.649   3.69321      0.706705  1.99585      0.61411   28.5626     146.264     2.41862     146.264     
1 1 1 1  23 36 o 10.184  3.35594 -0.207523    0.439568  -0.379911    0.427799  0.398591    11.856      4.8644      191.856     
1 1 1 1  23 37 o 29.5324 4.01652 2.28686      0.559087  1.53768      0.614608  18.5492     310.498     5.85512     130.498     
1 1 1 1  23 38 o 13.6073 3.88731 0.475076     0.438265  -0.00698204  0.446486  3.46943     199.847     5.24435     19.8469     
1 1 1 1  23 39 o 24.3916 4.17916 0.977685     0.531734  1.78275      0.541157  15.7688     323.643     1.38193     143.643     
1 1 1 1  23 40 o 13.7532 4.00255 0.458313     0.471871  0.0757004    0.467713  3.13763     237.947     6.43476     57.9466     
1 1 1 1  23 41 o 9.33866 3.14131 -0.19522     0.418229  -0.636115    0.425556  0.301943    204.896     2.32628     204.896     
1 1 1 1  23 42 o 12.6922 3.75112 0.557624     0.470825  -0.369914    0.437754  1.88764     231.313     4.49405     51.3133     
1 1 1 1  23 43 o 11.6909 3.69489 -0.184671    0.465448  0.172917     0.464408  0.0183022   264.382     7.02057     84.3817     
1 1 1 1  23 44 o 13.4675 4.04657 -0.0335      0.496208  0.491573     0.517437  0.698371    93.977      1.4355      273.977     
1 1 1 1  23 45 o 9.63671 3.28506 -0.203646    0.500474  -0.909426    0.489188  1.79564     130.073     8.41338     130.073     
1 1 1 1  23 46 o 25.4582 5.05837 1.63667      0.755651  2.03062      0.664589  16.6895     74.3276     0.54105     74.3276     
1 1 1 1  23 47 o 22.6771 4.89785 1.12581      0.63451   1.78155      0.655109  14.823      123.88      1.60037     123.88      
1 1 1 1  24 0  o 202.238 2.75572 75.6057      2.88646   75.6057      2.88646   229.534     270         122.764     270         
1 1 1 1  24 1  o 49.4536 2.91462 4.32017      0.804423  4.86226      0.654847  34.0495     6.36556     9.0848      186.366     
1 1 1 1  24 2  o 109.047 3.50747 22.2328      2.49084   22.501       1.22088   85.8178     345.323     7.36448     165.323     
1 1 1 1  24 3  o 94.6282 2.92477 16.6352      1.71727   16.8121      1.05672   71.4166     19.7748     11.9295     199.775     
1 1 1 1  24 4  o 79.7372 2.44935 11.7807      1.11501   11.8534      0.890719  74.2404     37.3871     19.7864     37.3871     
1 1 1 1  24 5  o 10.4035 2.99661 0.264129     0.292003  -0.306808    0.27457   13.8889     320.903     34.9159     320.903     
1 1 1 1  24 6  o 68.0094 2.45076 8.78788      0.824136  8.42807      0.894658  64.0036     13.0425     19.6102     13.0425     
1 1 1 1  24 7  o 114.377 2.25337 23.4088      1.23281   25.1331      1.43465   90.858      102.614     5.94027     282.614     
1 1 1 1  24 8  o 57.1367 2.28028 5.43898      0.646033  6.74139      0.697814  35.1194     87.6825     21.1327     267.682     
1 1 1 1  24 9  o 38.6297 2.46937 2.72232      0.486595  2.87093      0.491496  28.3913     324.313     0.895292    144.312     
1 1 1 1  24 10 o 13.4846 3.37811 0.230041     0.294211  0.366952     0.300902  8.14967     146.635     28.921      146.635     
1 1 1 1  24 11 o 14.22   3.36381 0.460662     0.297081  0.249779     0.296358  4.19288     272.848     20.5586     272.848     
1 1 1 1  24 12 o 73.5208 2.24023 9.92604      0.813708  10.1906      0.88893   54.5516     1.93646     9.76253     181.936     
1 1 1 1  24 13 o 15.9361 3.39987 0.295122     0.315548  0.65634      0.316137  0.706822    27.9143     2.28072     207.914     
1 1 1 1  24 14 o 16.728  3.48563 0.650116     0.33439   0.431556     0.317145  0.812698    276.936     16.8438     96.9364     
1 1 1 1  24 15 o 14.4558 3.25809 0.622025     0.306692  0.0875163    0.298028  0.500717    277.511     3.32513     97.5112     
1 1 1 1  24 16 o 58.8213 2.21799 6.73473      0.6773    6.19197      0.669719  47.6752     324.436     1.58625     324.436     
1 1 1 1  24 17 o 30.8218 2.79604 1.97403      0.439661  1.65989      0.430833  24.7107     141.019     4.62561     141.019     
1 1 1 1  24 18 o 34.6095 2.64805 2.2715       0.469077  2.27309      0.465927  28.9437     188.129     5.76164     188.129     
1 1 1 1  24 19 o 48.7752 2.38875 4.60759      0.596966  4.33068      0.602758  44.0853     294.49      11.5784     294.49      
1 1 1 1  24 20 o 23.4259 3.35509 1.25098      0.392587  0.92041      0.393985  0.115015    151.087     35.6598     151.088     
1 1 1 1  24 21 o 60.6993 2.30579 7.08489      0.723383  6.74105      0.721952  40.9633     79.5596     14.6531     259.56      
1 1 1 1  24 22 o 32.1964 3.10288 1.72288      0.50864   2.31204      0.484514  23.9023     227.417     0.532625    47.4169     
1 1 1 1  24 23 o 12.698  3.41742 0.468257     0.356076  -0.173493    0.335147  0.684375    77.0736     14.3566     77.0736     
1 1 1 1  24 24 o 40.7358 2.84352 2.8183       0.587184  3.57382      0.590385  30.1514     248.419     2.4211      68.419      
1 1 1 1  24 25 o 93.9399 2.29101 17.7396      1.08052   15.5269      1.13835   78.9262     341.723     9.03478     341.723     
1 1 1 1  24 26 o 30.1867 3.41243 2.2799       0.496659  1.38324      0.509742  25.6612     104.628     8.14634     104.628     
1 1 1 1  24 27 o 30.471  3.61354 1.93162      0.572707  1.79873      0.528551  18.1803     15.9908     8.89489     195.991     
1 1 1 1  24 28 o 16.0721 4.11985 0.415079     0.427961  0.517302     0.456996  5.3243      160.711     1.58967     340.711     
1 1 1 1  24 29 o 45.7344 2.91447 4.05493      0.673947  4.07763      0.692981  37.6186     36.9658     5.48404     36.9658     
1 1 1 1  24 30 o 43.9832 2.91654 3.91499      0.677     3.65031      0.637554  37.4277     176.064     8.19065     176.064     
1 1 1 1  24 31 o 15.1914 3.68923 -0.082907    0.402045  0.788251     0.408626  3.46925     263.153     0.361892    263.153     
1 1 1 1  24 32 o 16.1609 4.12716 0.305816     0.435593  0.683714     0.468572  4.84807     92.94       1.30777     92.94       
1 1 1 1  24 33 o 24.7519 4.48814 1.53329      0.586954  1.21126      0.574853  16.699      135.068     1.31798     315.068     
1 1 1 1  24 34 o 10.8189 3.43565 -0.0167427   0.40389   -0.177374    0.401507  1.09204     274.625     4.09894     94.6246     
1 1 1 1  24 35 o 37.6467 3.22968 2.75464      0.617678  3.06483      0.614738  27.2952     135.033     1.16038     315.033     
1 1 1 1  24 36 o 11.3968 3.62487 0.048252     0.48007   -0.194063    0.416183  0.728       328.862     3.33498     148.862     
1 1 1 1  24 37 o 12.2258 3.79127 -0.0555675   0.431447  0.166576     0.489715  0.509635    115.087     10.0027     295.087     
1 1 1 1  24 38 o 31.8482 3.72963 2.64481      0.592269  1.83334      0.582705  25.9882     351.171     7.31378     351.171     
1 1 1 1  24 39 o 10.0714 3.31398 -0.0945165   0.424097  -0.395083    0.42256   0.674098    73.8908     7.38574     73.8908     
1 1 1 1  24 40 o 26.1557 4.31177 1.8557       0.580007  1.43466      0.57226   21.1343     62.2494     9.03057     62.2494     
1 1 1 1  24 41 o 16.6049 4.3088  0.912659     0.513446  0.339177     0.500969  5.76948     101.35      5.69112     281.35      
1 1 1 1  24 42 o 14.4642 4.20667 0.34555      0.506784  0.439794     0.508775  2.05658     118.878     8.8462      298.878     
1 1 1 1  24 43 o 11.767  3.68817 -0.398003    0.473328  0.328465     0.470794  0.290454    108.228     3.76003     288.228     
1 1 1 1  24 44 o 12.8688 4.05411 0.161268     0.538343  0.114527     0.555845  0.541976    100.233     11.1881     280.233     
1 1 1 1  24 45 f 26.2852 4.96107 1.69527      0.724517  2.12285      0.671649  15.9594     119.961     0           0           
1 1 1 1  24 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  25 0  o 66.0151 2.80297 8.15859      0.951164  8.15859      0.951164  57.4677     90          6.53828     90          
1 1 1 1  25 1  o 51.3518 2.9016  4.84393      0.797713  5.10754      0.72979   33.1464     242.067     15.1479     62.0671     
1 1 1 1  25 2  o 50.4791 2.59769 4.73611      0.728307  4.8273       0.615007  42.0552     55.0719     4.95496     55.0719     
1 1 1 1  25 3  o 25.0686 3.3342  0.93412      0.426019  1.53891      0.399422  12.6701     16.2576     8.58689     196.258     
1 1 1 1  25 4  o 46.0643 2.62535 3.77404      0.618929  4.21103      0.622815  29.1789     296.763     14.1006     116.763     
1 1 1 1  25 5  o 94.0223 2.54379 17.1842      1.13864   15.8863      1.31992   85.0366     294.545     17.8685     294.545     
1 1 1 1  25 6  o 29.0644 3.2874  1.46663      0.41423   1.80954      0.543562  5.18184     65.1608     33.8148     245.161     
1 1 1 1  25 7  o 53.2221 2.43311 5.31999      0.632692  5.29077      0.700438  34.0808     261.896     16.5037     81.8957     
1 1 1 1  25 8  o 43.3541 2.61176 3.80191      0.541518  3.28947      0.610179  34.5767     51.9815     2.00854     51.9816     
1 1 1 1  25 9  o 87.8039 2.26289 14.5953      1.01703   14.1635      1.03873   86.3409     117.407     31.3413     117.407     
1 1 1 1  25 10 o 59.8106 2.44654 7.1791       0.723767  6.24782      0.77848   51.9365     321.147     8.86067     321.147     
1 1 1 1  25 11 o 42.7607 2.41077 3.63852      0.527398  3.23999      0.530686  23.4595     45.9954     20.346      225.995     
1 1 1 1  25 12 o 34.0913 2.75338 2.1425       0.482692  2.27968      0.472021  24.9327     148.445     1.76837     328.445     
1 1 1 1  25 13 o 25.3803 3.13327 1.30944      0.41229   1.19592      0.382354  14.7332     241.663     7.21237     61.6629     
1 1 1 1  25 14 o 12.5448 3.32609 0.196818     0.308872  0.261518     0.278269  0.230622    153.045     11.7829     153.045     
1 1 1 1  25 15 o 18.2575 3.43537 0.408168     0.348309  0.900752     0.341333  1.3344      226.992     28.8216     226.992     
1 1 1 1  25 16 o 24.8144 3.12443 1.23069      0.396123  1.17151      0.378239  19.4109     247.386     5.70758     247.386     
1 1 1 1  25 17 o 59.5708 2.33644 7.39196      0.749254  5.97256      0.687071  47.3999     160.918     0.572247    160.918     
1 1 1 1  25 18 o 35.5929 2.63093 2.18771      0.474408  2.64785      0.47826   21.4586     173.772     11.7994     353.772     
1 1 1 1  25 19 o 30.2192 2.92996 1.92674      0.445221  1.60995      0.445     20.0765     147.103     4.92591     327.103     
1 1 1 1  25 20 o 58.2404 2.28157 5.97832      0.680713  6.8062       0.68971   48.6577     43.8975     6.01863     43.8975     
1 1 1 1  25 21 o 44.5053 2.49573 3.69687      0.568915  3.82663      0.573102  29.8667     217.453     9.23324     37.4534     
1 1 1 1  25 22 o 19.8995 3.84856 0.882596     0.427759  0.732609     0.3898    2.58688     64.7896     23.0449     244.79      
1 1 1 1  25 23 o 16.5194 3.78266 0.771584     0.397548  0.252571     0.382732  2.68199     108.518     0.183564    108.518     
1 1 1 1  25 24 o 57.1634 2.56565 5.65515      0.752492  6.83601      0.754476  44.5125     74.4505     0.374343    74.4501     
1 1 1 1  25 25 o 37.1386 3.05811 2.46852      0.538645  2.93447      0.617687  26.1737     315.649     3.62722     135.649     
1 1 1 1  25 26 o 39.3541 2.98531 2.98199      0.59912   3.06778      0.599726  30.488      59.1157     1.64833     59.1158     
1 1 1 1  25 27 o 18.8104 3.71934 1.22379      0.441181  0.18165      0.419489  9.83309     283.768     4.13387     103.768     
1 1 1 1  25 28 o 23.2206 3.93014 1.42812      0.466832  0.856605     0.482654  18.4653     344.403     10.1808     344.403     
1 1 1 1  25 29 o 16.6109 3.84103 0.933113     0.43125   0.0310829    0.444094  1.20398     242.463     20.2736     62.4625     
1 1 1 1  25 30 o 27.1769 4.00911 1.39695      0.538828  1.76894      0.555021  20.8111     147.857     3.1334      147.857     
1 1 1 1  25 31 o 25.2132 3.99327 0.995706     0.528124  1.78936      0.50591   14.9742     326.648     6.0961      146.648     
1 1 1 1  25 32 o 16.3389 4.15863 0.116298     0.457398  0.891311     0.50891   7.70171     234.208     3.6911      54.2084     
1 1 1 1  25 33 o 13.9308 4.09751 0.163411     0.501771  0.316583     0.480394  2.41283     270.738     11.062      90.7379     
1 1 1 1  25 34 o 18.272  4.26193 1.2103       0.552424  0.283742     0.454246  9.16014     330.018     3.32928     150.018     
1 1 1 1  25 35 o 15.3464 3.88067 0.900099     0.464498  -0.128686    0.443771  5.43617     329.006     2.99794     149.006     
1 1 1 1  25 36 f 18.3155 4.52403 0.693355     0.571172  0.877584     0.500694  14.8007     68.9249     0           0           
1 1 1 1  25 37 o 15.7334 4.33974 0.854147     0.559475  0.0817138    0.524139  4.22708     4.83901     10.1023     184.839     
1 1 1 1  25 38 o 11.6542 3.65388 0.253044     0.439184  -0.385841    0.490631  0.691116    44.6507     5.55208     224.651     
1 1 1 1  25 39 o 27.8148 4.2539  1.31201      0.595819  2.45173      0.613101  18.5742     4.10192     0.160594    184.102     
1 1 1 1  25 40 o 12.8097 3.7395  0.706685     0.498881  -0.719069    0.455412  0.0470748   208.693     10.3557     28.6934     
1 1 1 1  25 41 o 11.898  3.69752 -0.445418    0.471349  0.383566     0.472655  0.239726    77.8319     1.86822     257.832     
1 1 1 1  25 42 o 35.7988 3.86508 3.24627      0.694883  2.72043      0.688621  25.5035     212.511     1.34511     212.511     
1 1 1 1  25 43 o 17.4641 4.69394 0.568407     0.572907  1.04905      0.618226  4.71361     243.351     11.873      63.3512     
1 1 1 1  25 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  26 0  o 15.2021 4.60207 0.618495     0.370337  0.618495     0.370337  3.03992     89.9996     2.34676     270         
1 1 1 1  26 1  o 34.4893 3.01813 1.86674      0.516672  2.7288       0.521676  27.0074     198.288     1.93082     198.288     
1 1 1 1  26 2  f 130.4   2.32036 30.5049      1.56714   33.0112      1.56632   91.2818     3.19212     0           0           
1 1 1 1  26 3  o 12.6554 3.34389 0.512154     0.37035   -0.154908    0.281657  0.0614835   341.815     10.3658     341.815     
1 1 1 1  26 4  o 32.2569 3.09314 2.16189      0.500319  1.84732      0.503951  22.9317     201.1       2.79005     21.1004     
1 1 1 1  26 5  o 36.3053 2.71523 2.56561      0.481825  2.44065      0.52202   25.0666     104.432     5.7923      284.432     
1 1 1 1  26 6  o 39.5099 2.59951 2.97121      0.545346  2.93332      0.506596  31.7074     355.6       2.48115     355.6       
1 1 1 1  26 7  o 18.853  3.37784 1.0365       0.341236  0.351343     0.366546  0.294852    284.263     27.6573     284.263     
1 1 1 1  26 8  o 83.9105 2.20847 13.3953      0.98331   12.9067      0.934546  62.944      77.5534     8.36571     257.553     
1 1 1 1  26 9  o 64.9064 2.40182 8.82719      0.835676  7.03436      0.772814  48.0619     122.084     6.99767     302.084     
1 1 1 1  26 10 o 25.8554 3.05008 1.09645      0.38649   1.51676      0.397537  1.14613     221.724     41.795      221.724     
1 1 1 1  26 11 o 21.9205 3.25446 1.44718      0.371862  0.509992     0.36158   5.85311     103.377     20.0977     283.377     
1 1 1 1  26 12 o 59.7632 2.41572 6.41129      0.767461  7.03951      0.718186  47.2471     27.6614     0.291511    27.6609     
1 1 1 1  26 13 o 47.1881 2.458   4.27263      0.629401  4.14034      0.563521  42.4408     61.7006     11.9319     61.7006     
1 1 1 1  26 14 o 33.7927 2.68467 1.95032      0.46695   2.42893      0.448867  22.8029     132.389     5.54271     312.389     
1 1 1 1  26 15 o 8.98978 2.6895  0.176348     0.251654  -0.288165    0.218776  4.17728     328.516     14.3254     328.516     
1 1 1 1  26 16 o 20.5061 3.47555 0.982144     0.354899  0.708131     0.379725  10.5941     224.606     5.92025     44.6062     
1 1 1 1  26 17 o 80.6492 2.23985 13.581       0.902957  10.9488      0.95112   63.4129     216.672     0.195503    36.6718     
1 1 1 1  26 18 o 18.402  3.59059 0.855148     0.345311  0.493324     0.383357  7.53486     32.4491     8.20736     212.449     
1 1 1 1  26 19 f 12.2368 3.41196 0.154404     0.310514  0.218995     0.327341  13.0947     48.6183     0           0           
1 1 1 1  26 20 o 55.0037 2.40839 5.88749      0.651246  5.59968      0.711666  40.9297     41.4623     3.24891     221.462     
1 1 1 1  26 21 o 25.6589 3.4545  1.04086      0.433592  1.63437      0.448708  11.9039     85.9981     13.4101     265.998     
1 1 1 1  26 22 o 13.8436 3.60249 0.432477     0.356865  0.200922     0.331893  2.16926     17.9731     1.98282     197.973     
1 1 1 1  26 23 o 27.1845 3.50352 1.36665      0.489328  1.63         0.457878  21.5653     82.2455     5.14962     82.2455     
1 1 1 1  26 24 o 13.31   3.79261 0.15915      0.380525  0.275136     0.42445   1.06018     52.4171     12.7124     232.417     
1 1 1 1  26 25 o 36.1226 3.45299 2.84628      0.583347  2.42537      0.659664  26.1067     214.098     1.65606     34.0979     
1 1 1 1  26 26 f 18.3827 3.75361 0.0874383    0.439319  1.22006      0.449937  17.8338     30.8193     0           0           
1 1 1 1  26 27 o 32.7667 3.35206 2.19808      0.532324  2.17183      0.57183   19.7601     312.864     9.06588     132.864     
1 1 1 1  26 28 o 48.5892 2.80235 4.27631      0.675032  5.06724      0.723658  40.0253     4.15032     6.87005     4.15032     
1 1 1 1  26 29 o 17.7735 4.06854 0.354012     0.435763  0.982946     0.466706  4.40323     259.203     15.3715     79.203      
1 1 1 1  26 30 o 11.7246 3.56073 -0.29042     0.385196  0.308104     0.429655  0.592696    236.174     10.1762     56.1742     
1 1 1 1  26 31 o 19.2059 4.71946 0.973991     0.595012  0.734892     0.558118  10.9348     70.7829     0.383       250.783     
1 1 1 1  26 32 o 23.2074 4.79265 1.21951      0.591108  1.40063      0.63433   14.2924     125.236     1.75056     305.236     
1 1 1 1  26 33 o 17.4477 4.35945 -0.0284577   0.607878  1.14184      0.544999  7.07263     239.414     6.51391     59.414      
1 1 1 1  26 34 f 14.0273 4.09946 0.0583902    0.548008  0.457867     0.459397  14.3525     270.066     0           0           
1 1 1 1  26 35 o 10.1287 3.34008 -0.120127    0.448294  -0.361043    0.411721  0.336783    16.248      5.8177      16.2481     
1 1 1 1  26 36 o 34.7524 3.93496 2.52085      0.709233  2.9723       0.645501  29.9847     218.829     12.0531     218.829     
1 1 1 1  26 37 o 14.3978 4.24353 -0.0520548   0.642572  0.564501     0.491155  2.74708     122.872     6.02423     302.872     
1 1 1 1  26 38 o 52.3824 3.66765 5.82037      1.02059   6.39943      0.929326  44.824      339.455     14.919      339.455     
1 1 1 1  26 39 o 26.5177 4.29057 3.01802      0.685214  0.643978     0.651731  19.1215     328.818     4.60552     328.818     
1 1 1 1  26 40 o 14.6921 4.3143  0.740272     0.593799  0.0890572    0.512997  3.80563     271.266     3.82547     91.2665     
1 1 1 1  26 41 o 12.9377 4.0364  0.317885     0.568771  0.0395316    0.487759  2.24628     285.592     5.28375     105.592     
1 1 1 1  26 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  27 0  o 42.3058 2.65241 3.40401      0.570663  3.40401      0.570663  25.6772     90          16.2715     270         
1 1 1 1  27 1  o 48.1326 2.57634 4.3165       0.616386  4.46098      0.659452  38.6455     19.6114     2.61701     19.6114     
1 1 1 1  27 2  o 37.8169 2.96047 2.83339      0.573286  2.66385      0.567618  34.6016     324.383     12.6054     324.383     
1 1 1 1  27 3  o 17.5499 3.82432 0.838896     0.433008  0.381076     0.348478  6.88684     168.696     6.91308     348.696     
1 1 1 1  27 4  o 56.8277 2.70978 5.63182      0.81829   6.65169      0.756754  46.7759     291.798     4.73966     291.798     
1 1 1 1  27 5  o 23.065  3.47078 1.35311      0.387931  0.785693     0.420083  8.82551     294.856     15.5465     114.856     
1 1 1 1  27 6  o 40.0568 2.57571 2.85089      0.524871  3.25737      0.5314    22.9894     113.617     15.8206     293.617     
1 1 1 1  27 7  o 65.2963 2.31357 7.55316      0.792456  8.5077       0.764302  55.5185     188.686     8.68086     188.686     
1 1 1 1  27 8  f 16.0649 3.54781 0.426692     0.325764  0.575598     0.333252  14.9382     176.443     0           0           
1 1 1 1  27 9  o 23.3558 3.23592 1.33155      0.370896  0.848595     0.381541  5.60056     213.075     22.9779     33.0746     
1 1 1 1  27 10 o 13.0683 3.24134 0.106993     0.280607  0.447609     0.289323  1.53186     105.303     5.40465     285.303     
1 1 1 1  27 11 o 29.083  3.06674 1.36145      0.422527  1.96892      0.469328  12.8867     66.6094     17.6707     246.609     
1 1 1 1  27 12 o 51.386  2.331   4.76822      0.628015  5.21629      0.604718  46.029      288.33      13.0384     288.33      
1 1 1 1  27 13 o 16.99   3.38093 0.707062     0.314599  0.442788     0.31637   7.17981     301.253     2.79172     121.253     
1 1 1 1  27 14 o 20.7726 3.13406 1.2749       0.339175  0.491853     0.330625  11.1502     217.613     5.40612     217.613     
1 1 1 1  27 15 o 25.8456 3.13991 1.25373      0.390093  1.39007      0.421147  5.45969     66.5019     4.18532     66.5019     
1 1 1 1  27 16 o 54.0877 2.26542 5.52983      0.629364  5.54054      0.635239  49.0001     173.548     15.1782     173.548     
1 1 1 1  27 17 o 47.227  2.36097 4.01616      0.570348  4.46861      0.577124  44.2827     83.6705     17.1593     83.6705     
1 1 1 1  27 18 o 12.7881 3.34583 0.274907     0.296216  0.258958     0.291687  0.776883    249.997     1.25219     69.9973     
1 1 1 1  27 19 o 35.8525 2.65097 2.2383       0.479957  2.74595      0.486567  18.8431     180.122     16.3619     0.122155    
1 1 1 1  27 20 o 29.2225 2.97329 1.45127      0.432659  1.93806      0.433668  22.3771     212.14      2.66327     212.14      
1 1 1 1  27 21 o 16.9779 3.70337 0.619561     0.362542  0.559772     0.354483  3.15199     47.7413     16.4903     227.741     
1 1 1 1  27 22 o 15.6853 3.539   0.761919     0.358305  0.169434     0.348079  6.83914     298.286     3.33145     118.286     
1 1 1 1  27 23 o 13.5448 3.57891 -0.044299    0.377765  0.532068     0.361577  2.78338     2.26903     9.63682     182.269     
1 1 1 1  27 24 f 17.4031 3.64554 1.18327      0.453191  -0.0288992   0.395284  15.647      9.65158     0           0           
1 1 1 1  27 25 o 18.8006 4.22574 1.03367      0.526349  0.531808     0.411463  2.49414     90.9572     1.53168     90.9572     
1 1 1 1  27 26 o 12.5997 3.51099 -0.41827     0.392321  0.543043     0.397885  3.00645     115.938     3.50145     295.938     
1 1 1 1  27 27 o 18.5583 4.08875 0.794954     0.448452  0.726315     0.422719  9.24514     17.0614     5.02758     197.061     
1 1 1 1  27 28 o 14.9379 3.83766 0.713762     0.418043  0.0594575    0.418416  4.65699     111.812     0.983916    291.812     
1 1 1 1  27 29 o 14.3268 3.77687 0.665964     0.415772  0.00789071   0.401649  3.434       47.4989     7.52028     227.499     
1 1 1 1  27 30 o 40.3865 3.19549 2.83087      0.645568  3.98425      0.647429  39.1235     137.656     20.8863     137.656     
1 1 1 1  27 31 o 26.4516 4.24958 2.0529       0.545011  1.22117      0.616342  19.677      294.774     4.0319      294.774     
1 1 1 1  27 32 o 14.1873 3.8275  0.777442     0.462646  -0.258362    0.442113  4.18385     118.427     3.68435     298.427     
1 1 1 1  27 33 o 16.8658 4.02429 1.15116      0.491293  -0.121244    0.533974  7.48979     352.78      1.96556     172.78      
1 1 1 1  27 34 o 13.4259 4.03897 0.532166     0.528815  -0.201467    0.506762  1.93441     350.169     6.06932     170.169     
1 1 1 1  27 35 o 20.1622 4.49933 1.44023      0.587529  0.636099     0.506568  10.4413     210.46      0.440142    30.4606     
1 1 1 1  27 36 o 8.27307 2.85308 -0.811204    0.418006  -0.407863    0.387983  6.59169     245.622     19.1279     245.622     
1 1 1 1  27 37 o 9.56548 3.1949  0.0108598    0.437331  -0.863606    0.428269  1.34896     204.43      6.50328     204.43      
1 1 1 1  27 38 o 33.1073 4.38751 2.39468      0.761027  3.0244       0.673572  20.953      44.4193     3.5632      224.419     
1 1 1 1  27 39 o 9.36489 3.21278 -0.779012    0.455361  -0.317624    0.508306  1.55173     220.222     8.69606     220.222     
1 1 1 1  27 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  28 0  o 6.04962 2.90644 -0.140182    0.275677  -0.140182    0.275677  0.182689    269.996     0.445322    269.996     
1 1 1 1  28 1  o 69.9442 2.46331 10.2157      0.856433  8.36868      0.909935  52.3502     321.429     4.17304     141.429     
1 1 1 1  28 2  o 40.7491 2.86778 3.2018       0.598017  3.20128      0.597421  35.5126     260.314     9.91108     260.314     
1 1 1 1  28 3  o 26.4322 3.90332 1.09464      0.515428  1.78393      0.522831  13.1192     274.943     12.0044     94.9425     
1 1 1 1  28 4  o 19.9382 3.88108 0.853312     0.42051   0.773515     0.407345  11.5665     129.435     0.910229    129.435     
1 1 1 1  28 5  o 21.7872 3.47529 0.917344     0.379227  1.00085      0.387184  11.5856     270.739     6.25264     90.7386     
1 1 1 1  28 6  o 17.9843 3.62963 0.591503     0.356882  0.714586     0.355321  7.07258     190.461     1.36436     190.461     
1 1 1 1  28 7  o 19.2149 3.40897 0.364523     0.358893  1.13278      0.367433  6.46673     355.798     12.7676     175.798     
1 1 1 1  28 8  f 29.9784 2.93568 1.93718      0.435698  1.57801      0.446087  30.1382     309.544     0           0           
1 1 1 1  28 9  o 47.8333 2.38468 4.48569      0.584021  4.21179      0.590196  36.469      87.452      0.0214522   267.451     
1 1 1 1  28 10 o 9.38388 2.84661 -0.0532421   0.245073  0.0543831    0.253556  1.88152     260.942     8.26246     260.942     
1 1 1 1  28 11 o 65.0191 2.27718 8.59954      0.765937  7.42548      0.761218  58.3435     128.262     16.7131     128.262     
1 1 1 1  28 12 o 27.0908 2.98155 1.24926      0.39845   1.65459      0.40648   12.0371     200.784     15.6011     20.7844     
1 1 1 1  28 13 o 21.2512 3.27712 0.748957     0.349231  1.08772      0.354963  11.2647     12.623      6.33057     192.623     
1 1 1 1  28 14 o 17.8671 3.38053 0.442049     0.331199  0.857113     0.328038  9.69874     260.756     0.420243    260.756     
1 1 1 1  28 15 o 15.2963 3.34629 0.535556     0.298955  0.396401     0.28881   4.66022     22.5393     8.66483     202.539     
1 1 1 1  28 16 o 4.3106  1.53824 -0.351081    0.165876  -0.378631    0.113319  5.88834     316.585     13.1572     316.585     
1 1 1 1  28 17 o 7.9093  2.40035 0.157757     0.215045  -0.404682    0.188056  3.43898     237.461     11.8478     237.461     
1 1 1 1  28 18 o 31.7787 2.78705 1.7624       0.443876  2.2243       0.448907  18.3532     8.27477     10.2771     188.275     
1 1 1 1  28 19 o 23.0407 3.30767 1.22597      0.383096  0.960205     0.379965  10.5904     47.8389     11.5831     227.839     
1 1 1 1  28 20 o 27.7668 3.10106 1.69637      0.43463   1.42572      0.426527  21.6922     309.472     3.97522     309.472     
1 1 1 1  28 21 o 26.8468 3.24312 1.13197      0.426606  1.86163      0.429382  13.9322     70.8678     11.0466     250.868     
1 1 1 1  28 22 o 15.3213 3.5162  0.118493     0.35115   0.766966     0.357675  7.07593     101.05      1.62459     281.05      
1 1 1 1  28 23 f 25.4455 3.57691 1.68404      0.461648  1.08526      0.448097  15.1608     85.3093     0           0           
1 1 1 1  28 24 o 26.8937 3.83682 1.67028      0.576229  1.46869      0.455803  15.206      139.45      7.60988     319.45      
1 1 1 1  28 25 o 25.1394 4.0257  1.2994       0.523978  1.51603      0.502206  18.5298     209.895     3.79916     209.895     
1 1 1 1  28 26 o 25.6028 3.83011 1.51453      0.503789  1.37262      0.481289  18.8795     123.346     3.87631     123.346     
1 1 1 1  28 27 o 21.339  3.94663 0.663277     0.451615  1.42299      0.471365  14.5556     25.1433     5.11898     25.1433     
1 1 1 1  28 28 o 26.3129 3.70861 1.57994      0.487768  1.47198      0.488308  20.8137     76.7485     7.0426      76.7485     
1 1 1 1  28 29 o 14.8291 3.93107 0.664944     0.434573  0.191251     0.415201  5.00144     79.0557     2.91545     259.056     
1 1 1 1  28 30 o 28.1383 3.96096 1.95081      0.544304  1.66572      0.569099  15.314      237.811     8.42627     57.8106     
1 1 1 1  28 31 o 13.0897 3.69743 -0.254456    0.421776  0.605328     0.429434  1.0051      342.629     10.0378     162.629     
1 1 1 1  28 32 o 24.3176 4.27374 1.7691       0.535543  1.10766      0.563479  16.7555     311.159     4.66852     311.159     
1 1 1 1  28 33 o 17.661  4.60907 0.90282      0.532164  0.605468     0.610568  6.65435     301.302     2.79109     121.302     
1 1 1 1  28 34 o 16.5777 4.17737 1.08648      0.508731  0.0027443    0.546542  5.51956     120.672     1.31412     300.672     
1 1 1 1  28 35 o 19.7494 4.41285 1.67622      0.613908  0.327167     0.528035  8.52408     289.261     6.90192     109.261     
1 1 1 1  28 36 o 11.9446 3.64268 -0.959009    0.524712  0.531502     0.465548  1.05857     190.245     3.75328     10.2446     
1 1 1 1  28 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  29 0  o 69.7477 2.35034 9.13518      0.845334  9.13518      0.845334  58.6651     90.0001     9.01613     90.0001     
1 1 1 1  29 1  o 39.9394 2.7254  3.34792      0.559289  2.83985      0.552198  35.1175     88.5352     10.9878     88.5352     
1 1 1 1  29 2  o 18.9837 3.64242 0.226917     0.414679  1.20784      0.416852  9.90109     335.197     3.89688     335.197     
1 1 1 1  29 3  o 26.5324 3.99024 1.3103       0.534182  1.62957      0.530403  12.6343     170.13      13.0912     350.13      
1 1 1 1  29 4  o 44.7289 3.00063 3.95522      0.653658  3.87402      0.717997  36.6071     326.199     5.98795     326.199     
1 1 1 1  29 5  o 31.2546 3.16196 2.16568      0.529953  1.72824      0.465815  18.935      169.551     8.11552     349.551     
1 1 1 1  29 6  o 13.7282 3.35034 0.592628     0.324891  -0.0231824   0.327406  1.12208     327.035     0.420062    147.035     
1 1 1 1  29 7  o 15.746  3.51515 0.265042     0.326994  0.70239      0.345536  5.00156     180.84      8.98915     0.840334    
1 1 1 1  29 8  o 37.0784 2.74864 3.45409      0.510401  1.99248      0.496345  26.7708     113.731     1.61822     293.731     
1 1 1 1  29 9  o 24.4557 3.24475 1.23626      0.391506  1.18303      0.400732  3.50664     221.505     28.8102     41.505      
1 1 1 1  29 10 f 49.7013 2.78869 5.02317      0.711763  4.60717      0.712105  23.256      260.181     0           0           
1 1 1 1  29 11 o 40.4935 2.52364 2.9483       0.529762  3.40287      0.514773  30.6778     210.948     0.914456    210.948     
1 1 1 1  29 12 o 15.2398 3.36505 0.560627     0.297705  0.36899      0.29985   4.85276     17.655      0.651329    17.655      
1 1 1 1  29 13 o 27.6298 3.08459 1.60453      0.400987  1.4648       0.448324  26.4401     288.753     17.746      288.753     
1 1 1 1  29 14 o 15.3042 3.45836 0.309667     0.291567  0.63991      0.340985  5.52271     70.1443     0.873749    70.1443     
1 1 1 1  29 15 o 36.7425 2.76233 2.23787      0.4807    3.12773      0.553215  28.2538     129.333     2.35864     129.333     
1 1 1 1  29 16 o 42.7127 2.64735 3.56286      0.545037  3.60172      0.613012  38.0156     325.459     12.8598     325.459     
1 1 1 1  29 17 o 17.1652 3.41692 0.415634     0.302484  0.834777     0.347762  5.84543     132.834     10.9768     312.834     
1 1 1 1  29 18 o 26.7715 3.22333 0.956348     0.389194  2.09204      0.461053  24.4064     154.741     13.8236     154.741     
1 1 1 1  29 19 o 38.9936 2.76684 2.86069      0.515275  3.20094      0.588324  27.8525     21.4677     1.49703     201.468     
1 1 1 1  29 20 o 14.8862 3.69425 0.481134     0.327706  0.403132     0.383476  5.18492     329.375     2.263       149.375     
1 1 1 1  29 21 o 14.7215 3.45835 0.601366     0.328239  0.283714     0.30518   3.5656      70.9373     9.22058     250.937     
1 1 1 1  29 22 o 31.9667 3.11838 2.12374      0.508667  2.09656      0.497252  23.7074     293.198     2.37053     293.198     
1 1 1 1  29 23 o 16.3926 3.49508 0.156417     0.381628  0.917514     0.355426  6.3239      43.7746     5.87215     223.775     
1 1 1 1  29 24 o 12.5949 3.57094 0.249193     0.363978  0.236313     0.345526  1.82687     123.214     6.19665     303.214     
1 1 1 1  29 25 o 17.1536 3.86052 0.933444     0.416591  0.369696     0.399073  7.81898     334.38      1.39887     334.38      
1 1 1 1  29 26 o 9.4657  2.8657  -0.94787     0.314603  0.314396     0.313655  2.50539     272.447     12.3963     272.447     
1 1 1 1  29 27 o 11.9846 3.56665 0.166717     0.391915  0.16371      0.361865  0.918514    219.575     4.19328     39.5749     
1 1 1 1  29 28 o 26.4922 3.91618 1.77861      0.530071  1.44186      0.511651  17.6853     6.85625     0.56445     6.85625     
1 1 1 1  29 29 o 16.9909 3.85273 1.166        0.467325  0.0634897    0.433484  6.0864      41.7578     4.28516     221.758     
1 1 1 1  29 30 f 13.1598 3.71669 -0.137889    0.424613  0.568833     0.415374  7.57162     32.7881     0           0           
1 1 1 1  29 31 f 15.908  4.02828 0.983595     0.490222  0.0911127    0.439566  17.7294     35.8889     0           0           
1 1 1 1  29 32 f 10.6069 3.32939 0.331891     0.420609  -0.63211     0.376849  9.54868     144.416     0           0           
1 1 1 1  29 33 o 14.3525 4.11615 0.454802     0.482727  0.383092     0.472337  2.5412      178.966     1.1086      358.966     
1 1 1 1  29 34 o 21.9452 4.95188 1.36221      0.593581  1.32417      0.685932  9.9919      264.61      8.04498     84.6099     
1 1 1 1  29 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  30 0  o 33.3714 3.07069 2.21595      0.506361  2.21595      0.506361  34.2628     270         17.5136     270         
1 1 1 1  30 1  o 16.2043 3.81039 0.571941     0.373582  0.495435     0.375975  6.83775     167.93      5.78502     347.93      
1 1 1 1  30 2  o 28.6934 3.57543 1.84799      0.519155  1.56752      0.504668  20.8088     47.7071     0.665411    47.7071     
1 1 1 1  30 3  o 27.3988 4.15445 1.26656      0.568299  2.00221      0.58234   10.8354     236.023     18.1126     56.0232     
1 1 1 1  30 4  o 17.9363 3.89333 0.937746     0.426559  0.4128       0.399145  4.98902     236.029     2.66218     236.029     
1 1 1 1  30 5  o 19.0704 3.87604 0.805215     0.434974  0.751393     0.37273   5.48308     62.0752     15.233      242.075     
1 1 1 1  30 6  o 12.6629 3.1911  -0.156204    0.299744  0.558485     0.317431  3.25521     228.808     3.60762     48.8077     
1 1 1 1  30 7  o 30.7978 3.04722 1.79918      0.464684  2.02664      0.481044  27.3529     42.1833     11.1197     42.1833     
1 1 1 1  30 8  o 8.93494 2.7604  -0.197578    0.244188  0.0941071    0.255954  0.219985    24.3645     2.4429      24.3645     
1 1 1 1  30 9  o 28.1868 2.97977 1.59046      0.415223  1.61466      0.428782  24.3698     304.239     9.50324     304.239     
1 1 1 1  30 10 o 19.4202 3.47453 0.812787     0.349761  0.783565     0.35029   13.0881     309.898     2.77978     309.898     
1 1 1 1  30 11 o 13.6922 3.42065 0.372117     0.283306  0.340082     0.324265  4.34086     120.012     3.98057     300.012     
1 1 1 1  30 12 f 38.4943 3.10969 2.82067      0.561445  3.19385      0.657274  22.6979     184.232     0           0           
1 1 1 1  30 13 o 35.3481 3.37973 2.79103      0.545789  2.37853      0.638942  28.0469     88.2034     5.24854     88.2034     
1 1 1 1  30 14 o 12.3959 3.70815 0.223575     0.402746  0.0144412    0.428031  1.50627     327.698     7.76393     147.698     
1 1 1 1  30 15 o 22.8638 4.38444 1.55501      0.575844  0.872649     0.511651  16.3395     233.785     4.5815      233.785     
1 1 1 1  30 16 f 10.5647 3.33551 0.0638268    0.36441   -0.235776    0.395301  5.94692     344.11      0           0           
1 1 1 1  30 17 o 27.0538 3.98318 1.04308      0.534565  2.29215      0.561447  19.2413     341.248     1.93056     341.248     
1 1 1 1  30 18 o 22.1332 4.26992 1.43358      0.513062  0.839699     0.524539  10.8449     314.743     7.5953      134.743     
1 1 1 1  30 19 o 25.6225 4.23899 1.03571      0.560645  2.04515      0.577437  19.5844     196.447     6.17435     196.447     
1 1 1 1  30 20 o 12.7385 3.82559 0.216693     0.426713  0.11228      0.456642  1.72397     352.59      7.46533     172.59      
1 1 1 1  30 21 o 17.0905 4.35697 0.923128     0.497967  0.302929     0.561218  7.80114     272.842     0.222824    272.842     
1 1 1 1  30 22 o 22.9573 3.95071 1.51736      0.412801  0.888455     0.562805  12.9177     30.9507     4.45342     210.951     
1 1 1 1  30 23 o 15.7761 3.68283 0.721085     0.353969  0.354732     0.375837  5.37203     346.297     5.71186     166.297     
1 1 1 1  30 24 o 37.4759 2.89945 3.21416      0.536253  2.61064      0.560387  29.3977     170.064     6.46971     170.064     
1 1 1 1  30 25 o 14.8805 3.70485 0.532625     0.369625  0.431372     0.340716  2.10066     287.961     1.18129     107.961     
1 1 1 1  30 26 o 28.1754 3.63319 1.61001      0.53043   1.9333       0.485102  19.4013     84.7392     2.13239     84.7392     
1 1 1 1  30 27 o 11.602  3.47145 0.0333737    0.394578  0.220915     0.337953  0.0118183   39.0564     4.49513     39.0564     
1 1 1 1  30 28 o 17.7675 4.03079 1.10394      0.465801  0.393363     0.432004  7.34358     316.556     0.172319    316.556     
1 1 1 1  30 29 o 15.6861 4.08499 0.554765     0.439131  0.586434     0.435688  4.55158     12.3523     1.16732     192.352     
1 1 1 1  30 30 o 9.3163  3.09034 -0.156744    0.393867  -0.29897     0.358752  0.952832    351.095     5.26115     351.095     
1 1 1 1  30 31 o 13.1516 3.86534 0.343647     0.453302  0.236539     0.415362  2.33207     197.329     7.31715     17.3288     
1 1 1 1  30 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  31 0  f 38.3196 2.91883 2.89755      0.562786  2.89755      0.562786  25.8222     90          0           0           
1 1 1 1  31 1  o 15.1403 3.62886 0.721526     0.368678  0.143794     0.36912   4.97047     235.808     0.769076    55.8081     
1 1 1 1  31 2  f 48.7304 3.02236 4.18144      0.743854  5.44901      0.756118  27.4711     325.704     0           0           
1 1 1 1  31 3  o 28.0121 3.96626 1.56511      0.519777  1.87083      0.592718  20.9774     151.085     3.64886     151.085     
1 1 1 1  31 4  o 16.1558 3.92937 0.728311     0.413127  0.344568     0.40721   6.35811     239.357     4.66727     59.3574     
1 1 1 1  31 5  o 33.5224 3.26    2.76444      0.578977  1.91639      0.517594  24.814      71.3509     2.00452     71.3509     
1 1 1 1  31 6  o 14.6547 3.41842 0.0947861    0.322137  0.719916     0.345043  2.54791     237.886     0.348076    57.886      
1 1 1 1  31 7  o 18.3007 3.62202 0.90777      0.366775  0.548799     0.362824  5.7625      318.059     11.9763     138.059     
1 1 1 1  31 8  o 36.1049 2.78737 2.86041      0.499578  2.38728      0.519236  29.5261     24.9676     7.86013     24.9676     
1 1 1 1  31 9  o 16.0173 3.28746 0.118053     0.306467  0.938497     0.353597  4.77542     96.9837     0.434135    96.9837     
1 1 1 1  31 10 o 13.3262 3.41089 0.543049     0.295171  -0.205111    0.449399  2.52026     358.611     6.2534      178.611     
1 1 1 1  31 11 o 11.8496 3.49889 0.370211     0.381429  -0.292435    0.40114   0.562287    19.3599     12.3417     19.3599     
1 1 1 1  31 12 o 14.2324 3.82837 0.615478     0.415491  0.0478103    0.419429  2.83286     233.691     1.33327     53.6914     
1 1 1 1  31 13 o 27.9197 4.03999 1.95294      0.567216  1.55834      0.56289   21.9418     203.753     6.76201     203.753     
1 1 1 1  31 14 f 14.0751 3.93542 0.348542     0.422395  0.351261     0.42772   8.42498     234.114     0           0           
1 1 1 1  31 15 o 15.9357 4.0904  0.726929     0.446593  0.332652     0.452428  5.56008     100.296     6.37204     280.296     
1 1 1 1  31 16 o 15.9291 4.16214 0.599575     0.453899  0.492634     0.457495  1.56258     81.3692     0.329702    81.3692     
1 1 1 1  31 17 f 7.81372 2.67299 -0.818287    0.303705  -0.160732    0.35045   4.20406     89.7568     0           0           
1 1 1 1  31 18 o 24.5868 4.31096 1.18557      0.532599  1.71476      0.570103  16.6049     98.1433     1.79515     98.1433     
1 1 1 1  31 19 o 17.3156 4.09381 0.147811     0.476169  1.14798      0.50038   7.20997     41.7083     3.15039     221.708     
1 1 1 1  31 20 o 16.6522 4.27834 0.188168     0.462167  1.04795      0.554389  4.95068     111.665     0.670921    291.665     
1 1 1 1  31 21 o 33.7675 4.2049  2.44371      0.727807  2.88084      0.681912  29.2162     131.823     14.379      131.823     
1 1 1 1  31 22 o 12.0821 3.74152 0.296444     0.46521   -0.20694     0.455787  0.0966761   281.414     1.56332     101.414     
1 1 1 1  31 23 o 15.5745 4.32398 0.0320239    0.535445  0.877227     0.55968   2.36022     17.3401     0.933246    197.34      
1 1 1 1  31 24 o 15.2132 3.94518 -0.263547    0.468771  1.00661      0.50371   3.17982     246.226     1.45573     66.2259     
1 1 1 1  31 25 o 46.9255 3.59213 5.3677       0.849273  4.45662      0.858609  37.0984     299.239     8.63025     299.239     
1 1 1 1  31 26 o 17.4696 4.38193 0.945734     0.47804   0.539172     0.566009  7.67528     108.925     0.335227    288.925     
1 1 1 1  31 27 o 13.1787 3.6517  0.175615     0.352166  0.481442     0.386108  2.48084     343.973     2.97637     163.973     
1 1 1 1  31 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  31 29 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  32 0  o 14.0383 4.70943 0.595319     0.389467  0.595319     0.389467  4.13705     270         8.43793     90.0001     
1 1 1 1  32 1  o 24.7019 3.56548 1.1238       0.439819  1.54455      0.442501  15.3809     221.088     2.22642     41.0878     
1 1 1 1  32 2  o 20.9892 3.99758 0.664144     0.455644  1.36549      0.471994  10.4247     297.009     6.22538     117.009     
1 1 1 1  32 3  o 25.6227 3.90167 2.21119      0.48634   0.802414     0.568837  18.4035     291.613     3.15424     291.613     
1 1 1 1  32 4  f 14.3508 3.37836 -0.326491    0.371157  0.869112     0.386721  11.5983     318.002     0           0           
1 1 1 1  32 5  o 9.67666 3.01221 -0.322865    0.317498  0.148243     0.304629  0.340075    0.406437    3.2566      0.406437    
1 1 1 1  32 6  o 32.2453 2.9804  2.11465      0.482324  2.18408      0.490168  27.7658     75.5218     11.5099     75.5218     
1 1 1 1  32 7  o 14.1896 3.50296 0.559359     0.327023  0.248291     0.328199  4.08017     227.059     2.41522     47.0586     
1 1 1 1  32 8  o 14.6583 3.40343 0.0871749    0.30583   0.776769     0.358411  3.5588      247.533     9.06321     67.5329     
1 1 1 1  32 9  o 14.8878 3.68038 0.78221      0.378652  -0.126327    0.469006  4.70493     172.907     4.78556     352.907     
1 1 1 1  32 10 o 34.8787 3.91047 3.13456      0.699484  2.33673      0.660333  26.6604     196.76      4.98287     196.76      
1 1 1 1  32 11 o 12.7025 3.79029 0.146696     0.421798  0.24153      0.433909  1.02116     231.154     2.07801     51.1543     
1 1 1 1  32 12 o 16.7071 4.25564 0.570691     0.456593  0.708613     0.486143  6.30124     236.285     1.74917     56.2847     
1 1 1 1  32 13 o 11.0707 3.4809  -0.26971     0.361832  0.226131     0.44952   1.23349     60.4304     10.2983     60.4304     
1 1 1 1  32 14 o 15.9086 4.16555 0.648917     0.452165  0.462205     0.46708   4.6793      110.411     3.65967     290.411     
1 1 1 1  32 15 o 16.9154 4.13649 0.885609     0.454466  0.411052     0.466139  2.38688     287.096     0.0869036   287.096     
1 1 1 1  32 16 o 24.2177 4.20018 0.95634      0.525965  1.8881       0.556197  15.8974     175.127     3.70264     175.127     
1 1 1 1  32 17 o 30.6532 4.07549 2.73249      0.61988   1.6602       0.616851  22.9796     295.986     5.9875      295.986     
1 1 1 1  32 18 f 20.1899 4.43263 1.08476      0.503559  0.93637      0.526047  16.516      80.1302     0           0           
1 1 1 1  32 19 o 22.0216 4.29057 1.74138      0.538082  0.634702     0.591239  13.5476     210.497     2.82773     210.497     
1 1 1 1  32 20 o 26.4818 4.66115 1.3979       0.632227  2.20449      0.664233  19.0371     89.812      5.3101      89.812      
1 1 1 1  32 21 o 14.049  4.0613  0.11204      0.493058  0.561425     0.477054  2.47005     119.726     2.22571     299.726     
1 1 1 1  32 22 o 14.3983 4.11556 0.0109034    0.468603  0.739971     0.529702  3.11505     175.189     1.71944     355.189     
1 1 1 1  32 23 o 12.8347 3.92743 0.196759     0.453694  0.192249     0.507224  0.368273    121.591     12.3051     301.591     
1 1 1 1  32 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  32 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  33 0  o 8.37037 3.74959 0.103612     0.350832  0.103612     0.350832  2.44804     270         7.77441     270         
1 1 1 1  33 1  o 17.476  3.97032 0.746649     0.413573  0.669944     0.402662  6.22753     89.6786     5.75758     269.679     
1 1 1 1  33 2  o 27.9111 3.67426 2.05813      0.541713  1.43468      0.482396  21.3538     38.728      7.84689     38.728      
1 1 1 1  33 3  o 18.0703 4.1663  0.584313     0.395787  0.983869     0.505007  5.3485      43.7255     0.792775    43.7255     
1 1 1 1  33 4  o 18.0073 4.17103 0.810124     0.453195  0.727863     0.44529   6.94781     331.242     4.41285     151.242     
1 1 1 1  33 5  o 22.502  3.83185 1.40636      0.470931  0.934776     0.418901  13.7237     97.1532     2.13149     97.1532     
1 1 1 1  33 6  o 19.9373 3.62557 0.717343     0.388293  1.08487      0.377959  9.94765     318.437     1.43671     318.437     
1 1 1 1  33 7  f 20.8131 3.94938 0.566689     0.371097  1.54687      0.533417  8.82133     198.729     0           0           
1 1 1 1  33 8  o 18.9371 4.42905 1.03826      0.507883  0.710919     0.520403  8.25949     81.5828     0.474791    261.583     
1 1 1 1  33 9  o 22.1569 3.90924 0.270475     0.535763  2.03271      0.544834  12.748      264.642     5.59573     264.642     
1 1 1 1  33 10 o 22.661  4.29666 0.808732     0.534204  1.71107      0.550382  12.5828     257.316     2.14587     77.3156     
1 1 1 1  33 11 o 14.3602 4.03271 0.324064     0.442214  0.472803     0.456629  2.25445     291.749     8.0851      111.749     
1 1 1 1  33 12 o 20.29   4.46832 1.03228      0.51739   1.03144      0.523091  10.609      243.887     2.74096     243.887     
1 1 1 1  33 13 o 14.6652 4.03495 0.252867     0.45059   0.607002     0.451291  1.47141     189.002     0.755278    9.00167     
1 1 1 1  33 14 o 26.7365 4.26463 1.53143      0.572894  1.93212      0.583967  18.1903     270.701     2.357       270.701     
1 1 1 1  33 15 o 14.7336 4.08482 0.334923     0.441995  0.579246     0.472712  3.70371     146.095     3.02173     326.095     
1 1 1 1  33 16 o 18.7618 4.41875 0.872452     0.499255  0.920737     0.507166  9.19271     172.615     2.12156     172.615     
1 1 1 1  33 17 o 29.5542 4.19014 2.14308      0.611114  2.04867      0.627716  25.4947     350.659     14.677      350.659     
1 1 1 1  33 18 o 15.516  4.23924 0.391426     0.447373  0.709112     0.524118  4.22148     159.143     0.0248238   159.143     
1 1 1 1  33 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  33 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  34 0  o 15.9697 4.89423 0.765013     0.418247  0.765013     0.418247  6.40132     270         6.35533     89.9998     
1 1 1 1  34 1  o 8.25526 2.73091 -0.020977    0.305183  -0.527017    0.297967  1.96165     166.822     6.72457     166.822     
1 1 1 1  34 2  o 9.29992 3.0173  -0.0488658   0.350465  -0.194493    0.308826  1.8564      104.297     8.3115      104.297     
1 1 1 1  34 3  o 19.3203 4.352   1.08023      0.47571   0.784915     0.528541  9.48414     271.424     2.61805     91.4238     
1 1 1 1  34 4  o 9.03292 2.93583 0.0318396    0.328438  -0.390149    0.318747  2.61757     236.427     10.4519     236.427     
1 1 1 1  34 5  o 10.9867 3.31061 0.0819018    0.344676  0.143432     0.320059  0.375559    17.5095     7.82597     17.5095     
1 1 1 1  34 6  o 16.2848 3.952   0.944994     0.429464  0.177477     0.479642  3.42452     198.882     0.545494    198.882     
1 1 1 1  34 7  o 16.9444 4.34083 0.442901     0.497248  0.938682     0.514845  6.5997      43.2145     4.50628     223.214     
1 1 1 1  34 8  o 12.9404 3.84922 0.0601832    0.431687  0.404043     0.458237  1.34372     35.4012     9.10079     215.401     
1 1 1 1  34 9  o 38.5577 3.83514 2.99161      0.745857  3.81546      0.725382  34.0449     175.27      16.4685     175.27      
1 1 1 1  34 10 o 14.7347 3.43207 1.08395      0.440634  -0.704401    0.421892  3.67725     52.388      0.314663    232.388     
1 1 1 1  34 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  34 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 1  34 13 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  0  0  o 64.3861 3.73581 7.75159      1.22686   7.75159      1.22686   102.816     360         274.134     360         
1 1 1 2  0  1  o 68.9525 2.59511 8.78917      0.92151   8.78917      0.92151   24.9052     270         149.112     270         
1 1 1 2  0  2  o 546.379 4.05306 547.595      11.4763   547.595      11.4763   633.008     360         210.065     360         
1 1 1 2  0  3  o 51.1413 2.15212 4.84472      0.565847  4.84472      0.565847  86.5241     270         244.314     270         
1 1 1 2  0  4  o 228.62  2.34756 95.8668      2.7807    95.8668      2.7807    243.64      180         215.956     180         
1 1 1 2  0  5  o 28.1613 2.39207 1.51548      0.335853  1.51548      0.335853  53.3795     270         117.803     270         
1 1 1 2  0  6  o 288.383 2.16383 152.49       3.2338    152.49       3.2338    453.328     360         409.516     360         
1 1 1 2  0  7  o 12.556  3.31539 0.38867      0.200966  0.38867      0.200966  8.96867     269.999     18.2603     269.999     
1 1 1 2  0  8  o 273.76  2.47893 137.45       3.51645   137.45       3.51645   401.759     360         276.931     360         
1 1 1 2  0  9  o 118.306 2.21612 25.7106      1.35689   25.7106      1.35689   101.803     90          18.6519     90          
1 1 1 2  0  10 o 71.2466 1.92637 9.34542      0.709067  9.34542      0.709067  2.96866     360         55.0894     180         
1 1 1 2  0  11 o 101.765 1.93641 19.0252      1.0198    19.0252      1.0198    62.5283     90          6.53188     270         
1 1 1 2  0  12 o 223.728 2.07936 91.8086      2.41053   91.8086      2.41053   103.999     180         220.423     1.54121e-05 
1 1 1 2  0  13 o 200.09  2.05185 73.4397      2.12714   73.4397      2.12714   248.337     270         115.642     270         
1 1 1 2  0  14 o 200.492 2.05935 73.7318      2.1392    73.7318      2.1392    185.87      0           10.8052     180         
1 1 1 2  0  15 o 118.835 1.98759 25.9285      1.22279   25.9285      1.22279   38.6348     89.9998     20.376      89.9998     
1 1 1 2  0  16 o 167.025 2.03308 51.1796      1.75905   51.1796      1.75905   148.212     180         20.2787     1.17946e-05 
1 1 1 2  0  17 o 335.527 2.34458 206.415      4.07688   206.415      4.07688   316.784     270         2.84052     90          
1 1 1 2  0  18 o 577.924 3.02899 612.38       9.07289   612.38       9.07289   470.355     180         152.943     9.1959e-06  
1 1 1 2  0  19 o 273.006 2.2271  136.67       3.15074   136.67       3.15074   201.009     90          113.356     270         
1 1 1 2  0  20 o 231.148 3.06014 98.0533      3.66369   98.0533      3.66369   115.498     180         204.242     9.27067e-06 
1 1 1 2  0  21 f 394.476 2.90524 285.368      5.93919   285.368      5.93919   368.123     90          0           0           
1 1 1 2  0  22 o 749.605 3.61808 1030.5       14.0571   1030.5       14.0571   702.398     180         1.11206     180         
1 1 1 2  0  23 o 23.5804 4.15842 1.19105      0.43977   1.19105      0.43977   106.023     90          227.054     90          
1 1 1 2  0  24 o 141.964 2.11403 36.9944      1.55413   36.9944      1.55413   56.9419     180         150.066     9.11887e-06 
1 1 1 2  0  25 o 47.1482 2.51379 4.14482      0.606136  4.14482      0.606136  26.2106     270         81.1934     270         
1 1 1 2  0  26 o 142.711 2.13336 37.3895      1.57657   37.3895      1.57657   10.9469     180         241.958     8.61208e-06 
1 1 1 2  0  27 o 66.0558 2.66734 8.08047      0.906444  8.08047      0.906444  4.36359     90.0001     9.11914     270         
1 1 1 2  0  28 o 288.239 3.29188 152.587      4.91556   152.587      4.91556   317.336     180         105.472     180         
1 1 1 2  0  29 o 275.635 2.30758 139.403      3.29598   139.403      3.29598   210.202     270         83.7615     90          
1 1 1 2  0  30 o 177.489 2.18061 57.83        2.00486   57.83        2.00486   197.642     180         71.8958     180         
1 1 1 2  0  31 o 364.106 2.51152 243.313      4.73917   243.313      4.73917   345.763     90          30.7746     90          
1 1 1 2  0  32 o 95.4414 2.22122 16.7645      1.0962    16.7645      1.0962    119.271     180         71.0228     180         
1 1 1 2  0  33 o 35.2003 3.03799 2.37448      0.532295  2.37448      0.532295  0.304903    270         5.49512     90.0001     
1 1 1 2  0  34 o 110.431 2.22928 22.4288      1.27375   22.4288      1.27375   128.312     360         58.8836     360         
1 1 1 2  0  35 o 112.934 2.23899 23.4569      1.30838   23.4569      1.30838   107.357     270         13.2985     270         
1 1 1 2  0  36 o 240.299 2.31134 106.032      2.87783   106.032      2.87783   226.612     180         26.6526     180         
1 1 1 2  0  37 o 15.358  5.16382 0.638595     0.468506  0.638595     0.468506  2.43782     270.001     5.81462     270.001     
1 1 1 2  0  38 o 46.4722 2.82594 4.05574      0.668698  4.05574      0.668698  26.949      180         3.53996     180         
1 1 1 2  0  39 o 27.2671 4.28069 1.55559      0.528841  1.55559      0.528841  0.772318    270         15.0112     270         
1 1 1 2  0  40 o 75.2781 2.42405 10.4814      0.941412  10.4814      0.941412  75.3287     1.00172e-06 19.7138     1.00172e-06 
1 1 1 2  0  41 o 122.494 2.66038 27.7032      1.68562   27.7032      1.68562   111.409     90          10.8081     90          
1 1 1 2  0  42 o 218.008 3.31413 87.9788      3.74127   87.9788      3.74127   225.924     360         76.5802     360         
1 1 1 2  0  43 o 204.565 2.50223 77.216       2.65153   77.216       2.65153   196.662     270         43.1603     270         
1 1 1 2  0  44 o 17.4289 5.23088 0.807302     0.479074  0.807302     0.479074  9.40762     180         43.8675     180         
1 1 1 2  0  45 o 17.5078 5.23966 0.817726     0.480913  0.817726     0.480913  2.07749     270         5.45502     89.9999     
1 1 1 2  0  46 o 65.7918 2.55805 8.08947      0.866321  8.08947      0.866321  54.9597     180         0.73925     8.65131e-06 
1 1 1 2  0  47 o 17.368  5.61345 0.842715     0.550004  0.842715     0.550004  6.29918     90          1.90183     270         
1 1 1 2  0  48 o 9.19172 4.37904 -0.221399    0.600363  -0.221399    0.600363  1.67012     8.65279e-06 6.7133      8.65279e-06 
1 1 1 2  0  49 o 34.2475 3.62873 2.3468       0.601573  2.3468       0.601573  27.2793     270         1.9699      90          
1 1 1 2  0  50 o 7.43643 3.58733 -0.229489    0.429077  -0.229489    0.429077  6.85627     8.65142e-06 19.0953     8.65142e-06 
1 1 1 2  0  51 o 28.6198 4.51773 1.77616      0.585428  1.77616      0.585428  16.724      90          13.1637     270         
1 1 1 2  0  52 o 9.01204 4.16956 -0.0170803   0.481772  -0.0170803   0.481772  4.2748      8.6514e-06  16.2363     8.6514e-06  
1 1 1 2  0  53 o 13.6674 5.29529 0.550942     0.537642  0.550942     0.537642  4.04275     270         8.58762     90          
1 1 1 2  0  54 o 19.216  5.61776 1.04183      0.555506  1.04183      0.555506  15.5708     180         4.30971     180         
1 1 1 2  0  55 o 17.6323 5.77542 0.949802     0.583092  0.949802     0.583092  9.18717     270         4.65126     270         
1 1 1 2  0  56 o 9.16855 4.27488 -0.00631577  0.521467  -0.00631577  0.521467  3.10591     8.65819e-06 16.243      8.65818e-06 
1 1 1 2  0  57 o 38.2258 3.72676 3.04525      0.69853   3.04525      0.69853   42.553      90          25.455      90          
1 1 1 2  0  58 o 9.4592  4.52186 -0.109749    0.650759  -0.109749    0.650759  3.00922     360         15.1682     360         
1 1 1 2  0  59 o 7.61413 3.80458 -0.553593    0.609023  -0.553593    0.609023  4.54988     270         14.9117     270         
1 1 1 2  0  60 f 14.2007 5.62105 0.721094     0.620888  0.721094     0.620888  12.2009     180         0           0           
1 1 1 2  0  61 o 5.4155  2.80629 -1.1801      0.508742  -1.1801      0.508742  0.922567    89.9998     2.16092     89.9998     
1 1 1 2  0  62 o 13.9634 5.58278 0.725951     0.620355  0.725951     0.620355  3.41953     360         9.84624     180         
1 1 1 2  0  63 o 15.9259 6.56362 1.10956      0.896563  1.10956      0.896563  6.12515     90          9.54551     270         
1 1 1 2  1  0  o 20.0448 3.31603 0.846662     0.299463  0.846662     0.299463  64.8172     3.19569e-05 135.775     3.19569e-05 
1 1 1 2  1  1  o 150.948 2.4721  43.333       1.72295   40.2744      2.10814   141.556     134.812     37.0364     134.812     
1 1 1 2  1  2  o 380.024 3.93673 273.61       5.45392   256.426      9.4073    355.208     234.771     12.0431     54.7704     
1 1 1 2  1  3  o 596.338 3.54997 660.757      10.0147   643.885      11.832    795.957     234.808     452.631     234.808     
1 1 1 2  1  4  o 394.641 2.58634 293.394      5.29419   277.818      5.28465   493.044     237.039     241.322     237.039     
1 1 1 2  1  5  o 423.054 2.50153 337.472      5.49045   318.945      5.47804   501.912     233.864     201.826     233.864     
1 1 1 2  1  6  o 361.098 2.3391  242.016      4.38197   236.113      4.3742    377.2       272.977     72.1725     272.977     
1 1 1 2  1  7  o 234.212 2.05994 99.2459      2.49934   101.89       2.50216   290.949     308.443     165.799     308.443     
1 1 1 2  1  8  o 112.786 1.90497 23.1741      1.11431   23.4661      1.11308   47.7106     14.5249     87.146      194.525     
1 1 1 2  1  9  o 176.338 1.98071 55.5414      1.80853   58.494       1.81161   51.0976     340.647     221.128     160.647     
1 1 1 2  1  10 o 394.862 2.54053 289.81       5.02324   282.119      5.36572   371.237     59.1988     4.55169     239.199     
1 1 1 2  1  11 o 131.783 2.11228 32.7622      1.33613   30.9437      1.53615   26.8008     255.417     290.08      255.417     
1 1 1 2  1  12 o 281.454 2.26781 146.06       3.19676   144.504      3.41557   229.095     85.9327     66.6014     265.933     
1 1 1 2  1  13 o 127.4   1.96867 29.9251      1.30162   29.5959      1.29853   81.2279     138.286     45.8479     318.286     
1 1 1 2  1  14 o 385.832 2.53412 271.572      5.23274   274.447      4.89621   325.964     75.0819     74.0028     255.082     
1 1 1 2  1  15 o 418.99  2.74397 324.568      6.37735   319.312      5.51739   383.745     98.502      20.3496     278.502     
1 1 1 2  1  16 o 737.187 3.6767  984.813      14.4918   1009.02      13.58     765.782     28.1217     137.02      28.1217     
1 1 1 2  1  17 o 235.245 2.13937 101.065      2.60824   101.834      2.60929   238.536     293.112     52.9929     293.112     
1 1 1 2  1  18 o 449.375 2.65019 368.161      6.16965   372.337      6.17684   455.27      91.3736     70.7282     91.3736     
1 1 1 2  1  19 o 322.13  2.49145 192.191      4.16503   188.317      4.15515   224.088     100.336     149.135     280.336     
1 1 1 2  1  20 o 309.559 2.92007 171.368      4.67153   180.132      4.69817   343.136     158.604     121.504     158.604     
1 1 1 2  1  21 o 111.157 2.64104 23.0692      1.5177    22.2975      1.52107   60.8798     217.09      44.1993     37.09       
1 1 1 2  1  22 o 259.79  2.38534 122.744      3.21087   124.757      3.21342   269.652     113.393     72.9796     113.393     
1 1 1 2  1  23 f 165.046 2.11787 51.7242      1.8158    48.1962      1.80663   144.645     280.831     0           0           
1 1 1 2  1  24 o 69.9839 2.23886 8.65511      0.80659   9.35106      0.812874  4.0187      220.602     34.2735     40.6017     
1 1 1 2  1  25 o 214.207 2.18032 82.379       2.41546   85.9402      2.42582   183.712     103.604     11.4315     283.604     
1 1 1 2  1  26 o 82.866  2.19256 12.2142      0.939574  13.0177      0.939985  24.7392     232.069     22.8584     52.069      
1 1 1 2  1  27 o 25.7128 4.26395 1.29883      0.563351  1.23183      0.55359   33.318      243.6       75.0057     243.6       
1 1 1 2  1  28 o 83.0122 2.8174  13.9412      1.22006   11.485       1.19136   36.0697     237.535     54.3246     57.5349     
1 1 1 2  1  29 f 92.651  2.34971 15.8873      1.12489   15.6678      1.12836   44.0709     194.7       0           0           
1 1 1 2  1  30 o 104.645 2.17303 20.5837      1.18024   19.6552      1.17432   87.3414     110.441     4.3021      290.441     
1 1 1 2  1  31 o 89.3513 2.22729 13.4         1.01912   16.0104      1.03605   93.366      269.681     51.7959     269.681     
1 1 1 2  1  32 o 154.046 2.17984 44.622       1.74563   42.535       1.7351    140.085     344.418     9.50095     344.418     
1 1 1 2  1  33 o 127.473 2.19899 31.2684      1.46056   28.4655      1.44262   152.253     328.947     91.2854     328.947     
1 1 1 2  1  34 o 141.658 2.20562 35.7566      1.61473   37.9727      1.62359   86.0682     259.088     76.4091     79.0882     
1 1 1 2  1  35 o 132.926 2.22744 33.215       1.53814   31.7103      1.53095   165.238     140.95      106.012     140.95      
1 1 1 2  1  36 o 107.118 2.27115 21.3911      1.25959   20.8201      1.25953   125.211     19.7763     73.1957     19.7763     
1 1 1 2  1  37 o 32.0901 3.47998 1.70877      0.555228  2.19384      0.559372  0.413641    124.949     29.9672     304.949     
1 1 1 2  1  38 o 85.5382 2.36897 11.9263      1.03176   15.1344      1.05632   75.3116     39.4611     11.0904     39.4611     
1 1 1 2  1  39 o 137.078 2.26934 33.7089      1.60844   35.4773      1.61594   123.457     32.0457     12.4511     32.0457     
1 1 1 2  1  40 o 191.528 2.2945  68.7579      2.27969   66.4524      2.27584   207.592     8.69147     85.3951     8.69147     
1 1 1 2  1  41 o 47.9994 2.9607  3.82501      0.718341  4.80773      0.733753  31.1632     55.3029     14.8147     235.303     
1 1 1 2  1  42 o 186.592 2.92708 63.1433      2.81373   66.236       2.84801   168.428     303.239     17.3914     303.239     
1 1 1 2  1  43 o 131.151 2.4708  31.7101      1.67945   32.1159      1.67695   105.984     346.453     10.4686     166.453     
1 1 1 2  1  44 o 26.4941 3.89035 1.50423      0.527092  1.25329      0.506997  12.1967     357.5       9.3397      177.5       
1 1 1 2  1  45 f 12.8212 3.79997 0.170814     0.42572   -0.0471812   0.432316  35.8911     319.927     0           0           
1 1 1 2  1  46 o 98.7014 2.40747 18.6526      1.23482   17.7905      1.22464   94.9792     106.499     25.809      106.499     
1 1 1 2  1  47 o 12.2057 3.80901 -0.0744747   0.480023  -0.113574    0.462905  1.10433     186.64      10.6852     186.64      
1 1 1 2  1  48 o 43.2167 3.71884 3.70444      0.844397  3.61172      0.786848  36.9222     61.5929     4.89071     61.5929     
1 1 1 2  1  49 o 41.6378 3.35603 3.27493      0.710037  3.48629      0.712163  35.3611     218.909     4.83005     218.909     
1 1 1 2  1  50 o 39.698  3.21617 3.08334      0.644233  3.07756      0.655442  36.4384     242.508     11.0835     242.508     
1 1 1 2  1  51 f 40.0238 3.28644 2.7137       0.65632   3.62905      0.669417  25.3975     275.714     0           0           
1 1 1 2  1  52 o 18.3339 4.42073 0.412688     0.514403  0.909145     0.524135  9.50355     109.611     1.16477     109.611     
1 1 1 2  1  53 o 47.1193 3.10597 4.61944      0.749237  4.18016      0.748671  43.5047     87.993      13.5708     87.993      
1 1 1 2  1  54 o 12.4988 3.87479 -0.281237    0.496662  0.206262     0.490995  2.59668     104.211     5.59778     284.212     
1 1 1 2  1  55 o 18.9832 4.57239 0.516899     0.55048   1.0727       0.56269   11.1242     351.806     2.95932     171.806     
1 1 1 2  1  56 f 22.3    4.75295 1.09958      0.59764   1.29319      0.595607  19.4872     93.5037     0           0           
1 1 1 2  1  57 o 13.3095 3.99606 -0.535929    0.52297   0.590889     0.541399  2.99042     126.96      3.95428     306.96      
1 1 1 2  1  58 o 13.2376 4.14445 -1.17615     0.68144   0.600669     0.620952  1.03348     86.278      12.8325     266.278     
1 1 1 2  1  59 o 16.6128 4.89749 0.623797     0.639521  0.629315     0.76699   7.6271      339.787     1.27999     159.787     
1 1 1 2  1  60 o 12.3712 3.98995 -0.0611219   0.561326  0.0532291    0.572535  0.717191    221.506     2.2606      41.5057     
1 1 1 2  1  61 o 13.1346 4.15496 -0.00121017  0.583105  0.272749     0.584517  1.36292     150.631     3.50585     330.631     
1 1 1 2  1  62 o 12.9528 4.12615 -0.355557    0.617624  0.462575     0.601036  1.85604     109.239     3.18268     289.239     
1 1 1 2  1  63 o 15.3408 4.71165 0.98046      0.740713  -0.0370893   0.71568   5.56164     10.7783     4.99295     190.778     
1 1 1 2  2  0  o 450.154 2.56081 371.526      5.97456   371.526      5.97456   625.299     180         381.285     180         
1 1 1 2  2  1  o 159.896 2.03949 45.8853      1.68934   47.8622      1.69092   124.902     33.4537     29.7807     213.454     
1 1 1 2  2  2  o 700.248 3.61644 894.96       13.1228   903.946      13.1309   753.998     47.8463     163.321     47.8463     
1 1 1 2  2  3  o 678.413 3.53596 839.226      12.422    849.181      12.4471   792.49      339.64      284.047     339.64      
1 1 1 2  2  4  o 378.555 2.64265 265.137      5.3841    260.383      4.98266   371.263     330.221     24.5972     330.221     
1 1 1 2  2  5  o 543.089 3.35245 541.095      10.1892   540.811      8.62107   444.715     324.664     150.498     144.664     
1 1 1 2  2  6  o 189.745 2.14268 63.9747      2.24338   68.0653      1.95077   165.265     283.707     10.1119     103.707     
1 1 1 2  2  7  o 167.454 1.9532  50.4075      1.69412   52.4125      1.69624   181.008     307.899     92.6302     307.899     
1 1 1 2  2  8  o 330.642 2.35496 203.667      3.9014    197.268      4.16186   221.29      47.6593     182.85      227.659     
1 1 1 2  2  9  o 350.81  2.51014 223.437      4.231     227.956      4.88111   346.919     320.816     33.3425     320.816     
1 1 1 2  2  10 o 332.403 2.47782 205.031      3.95561   200.287      4.55461   289.881     338.299     45.5143     158.299     
1 1 1 2  2  11 o 257.794 2.1331  126.768      2.8553    117.071      2.84272   193.943     289.072     91.394      109.072     
1 1 1 2  2  12 o 195.401 2.03452 70.7041      2.06197   69.326       2.05934   210.425     170.17      79.9897     170.17      
1 1 1 2  2  13 o 343.989 2.34057 215.357      4.16963   218.648      4.17716   426.06      6.75844     214.684     6.75844     
1 1 1 2  2  14 f 243.926 2.13156 110.116      2.69595   108.074      2.69425   239.792     299.055     0           0           
1 1 1 2  2  15 o 90.8389 1.98489 14.6527      0.931758  15.6388      0.934589  24.0903     199.318     77.188      19.3181     
1 1 1 2  2  16 o 408.902 2.52072 310.542      5.34556   302.59       5.33958   381.345     311.984     3.32491     131.984     
1 1 1 2  2  17 o 285.39  2.31825 151.875      3.31375   146.779      3.53704   229.298     171.547     68.6554     351.547     
1 1 1 2  2  18 o 271.751 2.39643 137.206      3.12689   133.583      3.60107   200.255     357.935     99.8724     177.935     
1 1 1 2  2  19 o 164.048 2.38203 49.1467      2.02588   49.5316      2.02526   115.032     54.5797     55.1704     234.58      
1 1 1 2  2  20 o 367.767 3.09281 248.82       5.89517   247.263      5.89676   359.901     186.623     40.3946     186.623     
1 1 1 2  2  21 o 423.954 3.00176 325.312      6.59124   333.972      6.60138   343.367     257.455     99.7408     77.4549     
1 1 1 2  2  22 o 304.704 2.70615 173.656      4.63459   166.902      3.89524   197.647     191.063     164.006     11.0632     
1 1 1 2  2  23 o 113.131 2.18271 23.7346      1.32446   23.2363      1.23235   58.3423     26.2257     58.7464     206.226     
1 1 1 2  2  24 f 162.347 2.12137 46.8612      1.7811    49.8218      1.78829   174.069     282.943     0           0           
1 1 1 2  2  25 o 180.589 2.13995 61.1611      2.00743   58.4719      1.99841   117.212     299.792     82.2581     119.792     
1 1 1 2  2  26 o 276.517 2.44375 140.359      3.50158   140.203      3.50393   278.396     21.9018     61.3105     21.9018     
1 1 1 2  2  27 f 211.409 2.53422 85.2664      2.78421   78.8446      2.76751   204.898     216.086     0           0           
1 1 1 2  2  28 f 238.373 2.38691 102.394      2.94433   106.204      2.95377   217.218     31.6143     0           0           
1 1 1 2  2  29 o 82.5338 2.37532 13.1455      1.01432   11.9201      1.0121    52.9421     262.348     27.3036     82.3476     
1 1 1 2  2  30 o 339.583 2.44795 208.84       4.30146   214.696      4.31619   349.583     217.691     84.9747     217.691     
1 1 1 2  2  31 o 38.2993 2.81781 2.1496       0.531639  3.37048      0.549959  2.53558     316.81      21.1276     136.81      
1 1 1 2  2  32 o 235.81  2.26283 103.892      2.76951   100.363      2.76191   221.649     203.807     22.5378     203.807     
1 1 1 2  2  33 o 95.2231 2.23586 15.913       1.09411   17.4476      1.10892   72.5834     341.531     15.0444     161.53      
1 1 1 2  2  34 o 118.753 2.21718 25.9472      1.36158   25.8928      1.36567   114.756     171.927     26.4468     171.927     
1 1 1 2  2  35 o 228.236 2.28807 94.8014      2.70262   96.6184      2.71122   198.296     351.524     6.58076     171.524     
1 1 1 2  2  36 o 215.515 2.2798  84.4987      2.54472   86.2241      2.54886   180.232     213.081     18.4494     33.0805     
1 1 1 2  2  37 o 149.568 2.25097 41.9409      1.74811   40.3148      1.74184   146.672     12.7756     35.3531     12.7756     
1 1 1 2  2  38 o 118.003 2.27062 25.7523      1.38691   25.5148      1.38826   93.7182     167.318     13.4674     347.318     
1 1 1 2  2  39 o 45.5791 2.85413 4.5774       0.665558  3.21083      0.653242  27.5089     42.0388     2.97994     42.0387     
1 1 1 2  2  40 o 98.9814 2.33154 17.7942      1.18905   18.3686      1.20006   68.6656     121.881     30.7361     301.881     
1 1 1 2  2  41 o 119.854 2.65823 26.2406      1.65194   26.968       1.64663   93.7825     209.03      17.322      29.0301     
1 1 1 2  2  42 o 41.6549 3.41145 3.33109      0.71635   3.231        0.729158  29.4448     333.59      5.0691      153.59      
1 1 1 2  2  43 o 72.9752 2.65596 10.4797      1.00371   9.37425      0.996781  58.6475     156.418     3.72571     336.418     
1 1 1 2  2  44 o 82.5748 2.41977 12.4507      1.03654   12.9296      1.03002   74.0369     358.752     10.7924     358.752     
1 1 1 2  2  45 o 58.1631 2.62655 6.26676      0.786063  6.42587      0.789376  49.2106     125.7       3.5619      125.7       
1 1 1 2  2  46 o 33.732  3.33159 2.36675      0.565947  2.03893      0.564451  30.6953     130.303     12.0702     130.303     
1 1 1 2  2  47 o 53.3005 3.18251 5.46865      0.876148  5.41043      0.866017  44.969      283.35      3.39494     283.35      
1 1 1 2  2  48 o 25.213  4.49257 1.26756      0.608396  1.34475      0.566366  20.6231     349.777     7.40012     349.777     
1 1 1 2  2  49 o 25.9611 4.37318 1.65081      0.586967  1.14688      0.581602  18.1739     28.9991     1.62409     208.999     
1 1 1 2  2  50 o 17.2908 4.21918 0.123514     0.487379  0.908252     0.507285  6.01546     245.902     0.707968    245.902     
1 1 1 2  2  51 o 32.9915 3.66171 1.83705      0.59292   2.5767       0.606903  29.6006     129.829     9.77925     129.829     
1 1 1 2  2  52 o 12.661  3.8208  -0.366147    0.465851  0.317475     0.472305  1.28751     52.5125     2.91916     232.513     
1 1 1 2  2  53 o 13.8683 4.07744 -0.0913408   0.493688  0.398355     0.503141  0.275174    357.717     18.3307     357.717     
1 1 1 2  2  54 o 15.4031 3.80855 1.06162      0.523982  -0.739493    0.468322  6.39923     265.909     0.515808    265.909     
1 1 1 2  2  55 o 36.3021 3.78231 2.7672       0.695472  2.84453      0.684944  28.936      287.626     2.61774     287.626     
1 1 1 2  2  56 o 42.783  3.50989 3.17424      0.742729  4.60064      0.757795  36.9669     37.3409     8.80293     37.3409     
1 1 1 2  2  57 o 22.5541 4.88875 1.2994       0.610938  1.27343      0.641324  16.5488     97.1004     5.12955     97.1004     
1 1 1 2  2  58 f 13.136  4.19362 -0.00791379  0.630445  0.0716966    0.584823  8.02676     132.846     0           0           
1 1 1 2  2  59 o 32.2841 4.83509 2.37773      0.75035   2.95963      0.819437  29.5456     62.9934     13.9962     62.9934     
1 1 1 2  2  60 o 20.1026 4.75027 0.513901     0.673341  1.60453      0.628493  11.4964     173.995     0.456749    173.995     
1 1 1 2  2  61 o 11.3126 3.74834 -0.293393    0.559414  -0.118666    0.547985  0.0679586   198.593     5.25763     198.593     
1 1 1 2  2  62 o 25.5976 4.98066 1.14252      0.726235  2.75762      0.766184  16.3782     193.205     1.59012     13.2047     
1 1 1 2  2  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  3  0  o 211.494 1.99265 82.0295      2.18367   82.0295      2.18367   285.322     360         237.73      360         
1 1 1 2  3  1  o 402.258 2.60476 301.69       5.43488   291.722      5.42671   347.83      145.539     69.8876     325.539     
1 1 1 2  3  2  o 450.201 2.74868 376.009      6.41751   367.295      6.41084   386.428     138.882     86.1905     318.882     
1 1 1 2  3  3  o 401.518 2.43924 299.615      5.08066   291.567      5.07234   444.402     65.5087     128.364     65.5087     
1 1 1 2  3  4  o 535.378 2.92694 528.591      8.39487   522.654      7.84427   558.394     5.56802     94.4432     5.56802     
1 1 1 2  3  5  o 375.711 2.54201 254.995      4.94581   262.68       4.95477   276.981     46.8547     159.778     226.855     
1 1 1 2  3  6  o 339.068 2.3674  212.141      4.01868   209.449      4.2966    357.662     26.7953     78.0756     26.7953     
1 1 1 2  3  7  o 314.105 2.22907 182.011      3.63043   179.785      3.6282    277.578     113.163     35.2172     293.163     
1 1 1 2  3  8  o 278.78  2.15772 141.832      3.11697   143.172      3.11916   249.119     41.0812     21.6152     221.081     
1 1 1 2  3  9  o 234.763 2.07829 100.824      2.52878   101.293      2.5294    145.152     66.8579     145.625     246.858     
1 1 1 2  3  10 o 202.377 2.02422 75.5381      2.12418   74.6662      2.12276   157.868     178.478     51.8719     358.478     
1 1 1 2  3  11 o 282.516 2.26434 146.982      3.42577   145.776      3.20337   174.326     158.519     180.243     338.519     
1 1 1 2  3  12 o 110.021 2.09769 22.4696      1.27726   21.9568      1.10906   68.03       281.913     16.4846     101.913     
1 1 1 2  3  13 o 256.26  2.22136 120.24       3.04558   120.587      2.85246   266.594     236.842     64.9304     236.842     
1 1 1 2  3  14 o 134.402 1.98744 34.0465      1.38699   32.1987      1.38158   103.073     155.258     10.5448     335.258     
1 1 1 2  3  15 o 400.246 2.58405 302.679      5.1852    284.909      5.5182    298.084     208.896     155.551     28.8956     
1 1 1 2  3  16 o 365.053 2.59988 242.193      4.55708   246.481      5.26287   344.686     302.489     9.03548     302.489     
1 1 1 2  3  17 o 454.643 2.75437 383.081      6.26863   374.919      6.70129   481.546     236.184     113.594     236.184     
1 1 1 2  3  18 o 377.57  2.45705 267.779      4.81584   255.028      4.8001    347.133     270.988     7.37231     90.9875     
1 1 1 2  3  19 o 150.553 2.36873 39.8148      1.84179   43.3336      1.85334   129.671     23.4136     11.8602     23.4136     
1 1 1 2  3  20 o 368.521 2.62007 247.819      4.99954   250.217      5.01049   346.31      331.814     12.1072     331.814     
1 1 1 2  3  21 o 305.031 2.46837 170.76       3.90028   170.446      3.90547   252.289     329.348     54.0835     149.348     
1 1 1 2  3  22 o 115.405 2.24623 25.2999      1.34635   23.591       1.3376    28.7933     196.926     132.858     16.926      
1 1 1 2  3  23 o 159.476 2.35457 47.0101      1.87124   46.2678      2.01761   146.756     277.078     30.2876     277.078     
1 1 1 2  3  24 o 188.901 2.22151 65.567       2.0997    65.312       2.248     174.257     194.982     22.0733     194.982     
1 1 1 2  3  25 o 212.623 2.25539 83.6556      2.40129   82.1885      2.56594   198.233     299.636     23.1896     299.636     
1 1 1 2  3  26 o 30.8051 3.6614  1.88475      0.540614  1.69893      0.583769  23.2573     196.295     54.7113     196.295     
1 1 1 2  3  27 o 76.557  2.67786 11.3881      1.1143    10.1988      1.00526   16.4456     43.3724     78.3519     223.372     
1 1 1 2  3  28 o 139.301 2.39158 36.5644      1.80271   34.6831      1.65086   126.176     197.415     13.4917     197.415     
1 1 1 2  3  29 o 57.6084 2.80052 6.08466      0.891705  6.16604      0.764471  5.76908     103.922     79.0083     283.922     
1 1 1 2  3  30 o 98.0996 2.43639 17.2481      1.27789   18.1463      1.19172   58.9786     85.3491     50.7843     265.349     
1 1 1 2  3  31 o 82.7688 2.24404 12.4333      0.95858   12.7627      0.963348  72.799      176.238     14.1094     176.238     
1 1 1 2  3  32 o 144.046 2.18079 38.7482      1.63209   37.4593      1.62436   131.34      142.896     11.2197     142.896     
1 1 1 2  3  33 o 73.9654 2.31248 9.89928      0.884095  10.2403      0.884569  60.6271     207.303     6.69504     207.303     
1 1 1 2  3  34 o 104.3   2.23497 20.4754      1.21038   19.5306      1.20315   77.4558     82.7396     23.516      262.74      
1 1 1 2  3  35 o 87.5885 2.30306 13.7903      1.04249   14.445       1.04477   21.135      237.829     108.229     57.8291     
1 1 1 2  3  36 o 38.2872 3.0441  2.81988      0.602812  2.64909      0.584543  2.60067     113.157     47.3572     293.157     
1 1 1 2  3  37 o 28.5689 3.6265  1.62439      0.518785  1.48293      0.515505  6.80602     206.797     40.6416     206.797     
1 1 1 2  3  38 o 132.958 2.26691 32.6145      1.56305   32.4318      1.56165   133.32      352.196     40.8073     352.196     
1 1 1 2  3  39 o 35.762  3.20534 2.14279      0.574215  2.6771       0.581427  11.4568     167.965     6.53781     347.965     
1 1 1 2  3  40 o 70.0948 2.62833 9.08792      0.960241  9.11149      0.942791  60.2233     339.682     5.51601     339.682     
1 1 1 2  3  41 o 57.3654 3.00429 5.82484      0.882266  6.46238      0.890167  51.8303     214.938     11.1607     214.938     
1 1 1 2  3  42 o 17.6186 4.21704 0.174086     0.475263  0.843203     0.498006  9.88148     188.948     39.8846     188.948     
1 1 1 2  3  43 o 37.6813 3.5198  2.69428      0.64562   2.72554      0.694905  23.6229     151.197     9.59064     331.197     
1 1 1 2  3  44 o 42.5313 3.1148  3.02433      0.661371  3.85455      0.686027  32.1684     9.39489     2.0848      189.395     
1 1 1 2  3  45 o 13.4585 3.75974 -0.331363    0.412635  0.498073     0.447799  3.2748      3.90635     16.6957     3.90635     
1 1 1 2  3  46 o 17.1212 4.32835 0.460431     0.477431  0.55889      0.495591  3.85679     72.8681     4.32358     252.868     
1 1 1 2  3  47 o 31.4398 4.0214  2.33163      0.644112  1.63738      0.614118  25.892      204.185     4.28441     204.185     
1 1 1 2  3  48 o 36.3719 3.59471 2.31513      0.658389  2.88909      0.650954  28.8135     247.71      0.514617    247.71      
1 1 1 2  3  49 o 36.966  3.86182 3.84726      0.727851  1.78548      0.654026  37.1443     271.974     18.1452     271.974     
1 1 1 2  3  50 o 57.3483 2.88496 7.21469      0.825612  5.49575      0.85861   55.2502     165.361     18.8759     165.361     
1 1 1 2  3  51 o 14.323  4.11947 0.141879     0.484196  0.317045     0.480115  3.23456     108.378     3.68284     288.378     
1 1 1 2  3  52 o 37.8951 3.525   3.7899       0.670547  2.09227      0.634705  29.8383     217.184     1.15721     217.184     
1 1 1 2  3  53 o 33.5942 3.86945 1.66246      0.62352   3.12797      0.640379  26.0566     85.4739     1.05153     85.4739     
1 1 1 2  3  54 o 28.8797 4.19981 1.72633      0.610324  1.90409      0.605051  21.7644     171.407     0.673229    171.407     
1 1 1 2  3  55 o 31.0918 4.16751 1.79109      0.636252  2.50511      0.654543  27.0143     26.596      8.04272     26.596      
1 1 1 2  3  56 o 13.3067 4.05678 0.3348       0.523125  -0.0967458   0.513974  3.37039     259.968     6.75516     79.9685     
1 1 1 2  3  57 o 17.8997 4.81384 0.99846      0.657946  0.502869     0.59236   8.41525     26.2936     1.79429     26.2936     
1 1 1 2  3  58 o 20.4846 5.01149 1.20748      0.646079  1.0216       0.65436   13.4527     194.303     3.07278     194.303     
1 1 1 2  3  59 o 21.8762 5.11563 1.04344      0.675065  1.647        0.702211  15.0272     302.493     3.25725     302.493     
1 1 1 2  3  60 o 13.9229 4.36853 0.18164      0.652145  0.281211     0.607712  2.33708     154.512     7.15073     334.512     
1 1 1 2  3  61 o 15.6505 4.61852 0.650977     0.603799  0.449058     0.654683  4.72759     216.752     3.4545      36.7524     
1 1 1 2  3  62 o 19.5678 4.78423 2.04256      0.744621  0.0356337    0.688251  11.459      131.047     2.30867     131.047     
1 1 1 2  3  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  4  0  o 184.223 1.94309 62.2478      1.8546    62.2478      1.8546    43.0941     6.86065e-06 268.472     180         
1 1 1 2  4  1  o 233.289 2.2626  101.966      2.84673   97.6165      2.62484   120.562     244.017     194.419     64.0166     
1 1 1 2  4  2  o 115.551 2.18484 24.6678      1.41888   24.3106      1.18815   22.0521     225.71      152.466     45.7098     
1 1 1 2  4  3  o 302.622 2.26312 169.635      3.67198   166.182      3.42617   207.548     332.74      155.498     152.74      
1 1 1 2  4  4  o 423.737 2.50183 334.048      5.49946   324.455      5.49025   222.288     24.6856     363.16      204.686     
1 1 1 2  4  5  o 342.241 2.44939 210.186      4.33931   219.414      4.35003   365.167     343.559     87.7529     343.559     
1 1 1 2  4  6  o 229.094 2.19274 97.8728      2.6045    94.6052      2.60285   257.326     149.035     102.413     149.035     
1 1 1 2  4  7  o 30.3266 2.09381 1.35234      0.316667  2.09393      0.320311  23.5006     94.8795     53.004      94.8795     
1 1 1 2  4  8  f 186.062 1.98687 61.0489      1.91128   65.9544      1.91944   156.393     298.829     0           0           
1 1 1 2  4  9  o 53.9867 1.95441 5.40115      0.544821  5.31549      0.54537   24.7794     54.5294     87.5047     54.5294     
1 1 1 2  4  10 o 300.866 2.21741 164.855      3.4572    167.16       3.4591    188.151     327.533     188.153     147.533     
1 1 1 2  4  11 f 304.185 2.22836 169.901      3.51417   169.458      3.51304   351.781     105.64      0           0           
1 1 1 2  4  12 o 335.165 2.30668 202.35       4.00326   209.666      4.01098   326.997     265.789     28.5414     265.789     
1 1 1 2  4  13 o 517.77  2.81987 495.013      7.57191   488.309      7.5644    470.859     71.9067     36.0785     251.907     
1 1 1 2  4  14 o 91.7984 1.97254 15.499       0.937376  15.4259      0.937691  24.3265     349.243     80.125      169.243     
1 1 1 2  4  15 o 451.435 2.63287 375.421      6.16202   371.887      6.16002   405.678     152.639     35.8901     332.639     
1 1 1 2  4  16 o 627.764 3.18454 730.351      10.3668   715.049      10.3578   615.59      140.954     49.8451     140.954     
1 1 1 2  4  17 o 440.045 2.61605 350.185      5.95953   359.907      5.9743    379.662     189.885     62.9155     9.88453     
1 1 1 2  4  18 o 573.857 3.65961 600.816      11.3566   607.301      10.3884   560.964     266.034     48.1512     266.034     
1 1 1 2  4  19 o 150.413 2.47051 44.0355      2.02042   39.0015      1.83349   0.847191    305.181     269.495     305.179     
1 1 1 2  4  20 o 125.6   2.23428 28.6532      1.54875   29.2138      1.3501    98.0003     254.871     33.4157     254.871     
1 1 1 2  4  21 o 341.557 2.66216 212.199      4.52444   215.672      4.89761   320.166     30.7138     14.2443     30.7138     
1 1 1 2  4  22 o 303.502 2.49711 168.365      3.63391   169.475      4.20422   285.227     212.371     18.6342     212.371     
1 1 1 2  4  23 o 147.593 2.44595 38.7172      1.71579   41.2054      2.02242   140.83      178.953     54.1303     178.953     
1 1 1 2  4  24 o 154.892 2.17758 41.0732      1.68056   47.0255      1.81674   75.8289     224.739     116.524     44.739      
1 1 1 2  4  25 o 42.3761 2.59031 2.85207      0.5535    3.82282      0.564683  42.0289     198.494     113.964     198.494     
1 1 1 2  4  26 o 63.1728 2.63896 7.16272      0.860263  7.53957      0.859891  4.81444     28.0821     37.4795     208.082     
1 1 1 2  4  27 o 302.05  2.34523 170.206      3.67715   164.68       3.66616   319.017     176.033     93.326      176.033     
1 1 1 2  4  28 o 136.788 2.29088 36.0316      1.63512   32.6938      1.61176   96.3187     89.7288     46.7023     269.729     
1 1 1 2  4  29 o 185.089 2.34037 63.4191      2.25532   62.37        2.23551   150.973     12.7304     29.4182     192.73      
1 1 1 2  4  30 o 73.4319 2.53774 9.09494      0.917113  10.7989      1.00933   56.3581     277.644     1.13697     97.6437     
1 1 1 2  4  31 f 183.251 2.28485 64.9796      2.10086   58.4438      2.22676   129.534     302.606     0           0           
1 1 1 2  4  32 o 129.368 2.25951 30.4954      1.46379   31.0003      1.56438   144.88      18.9531     70.3166     18.9531     
1 1 1 2  4  33 o 171.644 2.36162 52.7062      2.09797   55.5655      2.10349   172.047     344.504     43.2577     344.504     
1 1 1 2  4  34 o 127.423 2.29606 30.4522      1.56958   29.2504      1.46085   118.597     40.1942     17.4086     40.1942     
1 1 1 2  4  35 o 31.9803 3.55691 2.10234      0.610801  1.76729      0.530559  7.49408     102.198     55.5428     102.198     
1 1 1 2  4  36 o 52.5305 2.68091 5.44037      0.754284  4.77881      0.696199  34.086      203.58      5.83756     23.5801     
1 1 1 2  4  37 o 48.478  2.80573 4.35701      0.72339   4.35849      0.673361  0.986599    151.08      78.0584     151.08      
1 1 1 2  4  38 o 27.2999 3.75804 0.580621     0.508897  2.4489       0.537309  3.4758      308.536     24.3288     308.536     
1 1 1 2  4  39 o 212.117 2.31038 83.1306      2.54009   82.6398      2.54055   177.694     326.599     11.5994     146.599     
1 1 1 2  4  40 o 69.8071 2.8187  10.0683      1.02592   8.07609      0.998576  41.4254     162.83      33.8961     342.83      
1 1 1 2  4  41 o 26.1011 3.97424 1.70653      0.533114  0.971412     0.517891  9.55894     262.766     6.04145     82.7661     
1 1 1 2  4  42 o 117.948 2.40252 25.252       1.51182   26.3098      1.41888   108.159     339.913     16.7387     339.913     
1 1 1 2  4  43 o 46.7614 3.01121 3.78718      0.715146  4.45912      0.725193  36.4973     95.9658     0.549508    275.966     
1 1 1 2  4  44 o 17.7731 4.10341 0.0718226    0.489244  0.950432     0.479916  2.67983     176.778     25.8316     176.778     
1 1 1 2  4  45 o 46.1508 2.81095 4.26155      0.67401   3.79589      0.656837  41.8201     190.047     10.3854     190.047     
1 1 1 2  4  46 o 38.7414 3.58391 3.21292      0.71485   2.63833      0.686407  37.9027     298.723     16.7173     298.723     
1 1 1 2  4  47 o 28.6634 3.9486  1.89293      0.569691  1.40525      0.560156  15.8141     356.048     12.6323     176.048     
1 1 1 2  4  48 o 35.2522 3.47168 2.64974      0.593655  2.22583      0.630947  37.1161     276.324     21.9386     276.324     
1 1 1 2  4  49 o 61.1036 2.90813 7.44739      0.925907  6.87868      0.905138  56.6612     150.683     14.8332     150.683     
1 1 1 2  4  50 o 55.8908 2.99598 5.53443      0.851245  6.56772      0.867638  45.8968     180.813     2.35016     180.813     
1 1 1 2  4  51 o 26.8531 4.14594 1.71527      0.559318  1.30828      0.564715  23.4416     75.1653     10.3292     75.1653     
1 1 1 2  4  52 o 62.6394 2.75683 7.51576      0.885504  7.67816      0.895892  51.6496     117.084     3.82265     117.084     
1 1 1 2  4  53 o 47.2062 3.0888  4.05028      0.739052  4.81971      0.751046  44.5282     175.316     15.722      175.316     
1 1 1 2  4  54 o 42.1461 3.27321 3.29614      0.691697  3.93647      0.711065  28.5349     79.7573     8.31696     259.757     
1 1 1 2  4  55 o 30.416  4.19369 1.93609      0.646049  2.18009      0.627705  26.3426     8.52817     7.90545     8.52817     
1 1 1 2  4  56 o 11.9613 3.79378 -0.430337    0.507534  0.200931     0.503349  1.79603     252.733     4.53773     72.7328     
1 1 1 2  4  57 o 51.0602 3.94628 5.62305      0.97395   6.02389      1.07992   45.1921     152.107     13.0903     152.107     
1 1 1 2  4  58 o 21.5589 4.58441 1.77201      0.62238   0.586995     0.598066  14.8023     79.8997     2.19263     79.8997     
1 1 1 2  4  59 o 17.5709 4.75465 0.353129     0.628348  1.16927      0.646597  6.1631      136.358     9.62269     316.358     
1 1 1 2  4  60 o 21.9932 5.0929  1.01875      0.688838  1.76894      0.699416  11.7288     96.6186     4.41435     276.619     
1 1 1 2  4  61 o 18.4579 4.14183 -0.790252    0.62024   1.92213      0.654836  9.18746     156.64      1.35199     156.64      
1 1 1 2  4  62 o 10.7829 3.65885 -0.288804    0.589731  -0.493562    0.594142  0.648994    266.195     9.83198     266.195     
1 1 1 2  4  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  5  0  o 45.8583 1.91457 3.8949       0.451447  3.8949       0.451447  74.2217     1.96729e-05 199.612     1.96729e-05 
1 1 1 2  5  1  o 317.531 2.47305 188.185      4.23419   181.621      3.90509   302.799     296.106     10.1497     296.106     
1 1 1 2  5  2  o 390.606 3.06283 281.91       6.20199   277.841      6.20064   370.007     162.176     1.3477      162.177     
1 1 1 2  5  3  o 112.055 2.18475 21.9502      1.26465   24.1567      1.26892   58.9283     143.1       56.0192     323.1       
1 1 1 2  5  4  o 310.307 2.28664 176.869      3.80329   176.27       3.54886   272.912     200.508     35.986      20.5081     
1 1 1 2  5  5  o 336.244 2.26989 205.329      3.95523   209.339      3.95712   335.599     172.623     40.6038     172.623     
1 1 1 2  5  6  o 124.467 2.0335  27.9715      1.31088   28.8463      1.31289   63.0216     334.731     34.1267     334.731     
1 1 1 2  5  7  o 258.46  2.25697 120.739      3.02075   124.294      3.0264    166.077     171.542     149.475     351.542     
1 1 1 2  5  8  o 45.2841 1.9576  3.4493       0.454284  4.11386      0.457843  22.3125     144.832     62.746      144.832     
1 1 1 2  5  9  o 35.5668 2.12076 2.00483      0.380185  2.69335      0.388657  92.5883     37.6795     216.239     37.6795     
1 1 1 2  5  10 o 117.099 1.93264 26.2223      1.17466   24.0829      1.17014   79.3217     105.805     23.6026     105.805     
1 1 1 2  5  11 o 355.66  2.35173 239.145      4.34107   224.868      4.32756   309.479     319.795     47.3176     139.795     
1 1 1 2  5  12 o 368.7   2.38653 249.351      4.56095   249.154      4.56128   339.985     169.164     9.9216      349.164     
1 1 1 2  5  13 o 369.462 2.39899 253.256      4.59756   247.293      4.59081   293.661     298.982     104.324     118.982     
1 1 1 2  5  14 o 1000.34 4.48887 1835.04      23.2782   1837.51      23.2748   993.562     191.736     94.8211     191.736     
1 1 1 2  5  15 o 250.346 2.15237 114.571      2.79156   115.213      2.79465   283.014     181.603     116.788     181.603     
1 1 1 2  5  16 o 247.193 2.15593 110.37       2.75881   113.676      2.76583   256.143     154.276     66.7989     154.276     
1 1 1 2  5  17 o 474.472 2.89746 407.82       7.1131    417.819      7.13881   492.244     158.704     100.425     158.704     
1 1 1 2  5  18 o 259.202 2.52917 122.094      3.39445   124.28       3.40179   231.174     44.774      8.37147     224.774     
1 1 1 2  5  19 o 146.331 2.20384 40.7591      1.67728   37.7833      1.6647    137.51      356.14      53.5523     356.14      
1 1 1 2  5  20 o 239.214 2.17828 106.334      2.70318   103.502      2.6986    231.76      67.9358     36.2203     67.9358     
1 1 1 2  5  21 o 213.839 2.29853 83.1527      2.54645   84.5394      2.54906   183.604     295.687     12.0416     115.687     
1 1 1 2  5  22 o 143.125 2.17116 37.4735      1.55394   37.651       1.66595   94.1783     226.126     51.278      46.1263     
1 1 1 2  5  23 o 185.879 2.28264 62.9005      2.19923   63.8332      2.19943   166.752     105.595     12.6255     105.595     
1 1 1 2  5  24 o 189.616 2.32302 65.0078      2.43654   66.8988      2.11354   130.224     306.174     72.7869     126.174     
1 1 1 2  5  25 o 178.959 2.46942 59.9097      2.2954    57.6272      2.28563   189.2       77.6191     76.8064     77.6191     
1 1 1 2  5  26 o 87.5312 2.73551 13.4328      1.2283    14.769       1.24657   7.64139     252.934     126.092     72.9341     
1 1 1 2  5  27 o 207.843 2.25722 80.7358      2.50933   77.8331      2.35416   183.897     322.836     3.02546     142.837     
1 1 1 2  5  28 o 87.4646 2.44514 14.4189      1.06808   13.7198      1.14108   70.5407     299.688     1.07943     119.688     
1 1 1 2  5  29 o 225.056 2.48309 96.5598      2.79014   89.5439      2.98932   237.477     20.9621     72.1956     20.9621     
1 1 1 2  5  30 o 13.364  3.62062 0.484896     0.393092  -0.381285    0.418029  25.6598     350.236     55.5978     350.236     
1 1 1 2  5  31 o 63.6018 2.61937 6.91523      0.822371  8.02374      0.897658  6.004       356.531     117.479     356.531     
1 1 1 2  5  32 o 87.9637 2.24245 14.0212      1.02182   14.4391      1.0196    67.7601     317.37      10.0951     137.37      
1 1 1 2  5  33 o 127.818 2.2036  31.0566      1.46635   28.9928      1.45164   102.545     302.404     16.518      122.404     
1 1 1 2  5  34 o 125.606 2.22194 27.8656      1.44019   30.1402      1.45059   126.634     69.8915     37.7514     69.8915     
1 1 1 2  5  35 o 172.602 2.23567 56.0961      2.0057    53.4077      1.99417   155.186     254.507     8.97507     254.507     
1 1 1 2  5  36 o 136.401 2.31853 32.8176      1.57726   35.6273      1.70204   129.176     123.074     24.1127     123.074     
1 1 1 2  5  37 o 119.204 2.35271 27.2341      1.40885   25.1159      1.48951   127.572     289.127     55.3713     289.127     
1 1 1 2  5  38 o 82.0659 2.46065 11.7967      1.00709   13.0769      1.08209   39.4412     137.03      58.5298     317.03      
1 1 1 2  5  39 o 41.5083 2.98796 3.49548      0.624817  2.95427      0.637505  3.67321     270.614     1.96639     270.614     
1 1 1 2  5  40 o 85.3736 2.71328 14.0954      1.20332   12.9428      1.19082   77.4385     54.284      11.2715     54.284      
1 1 1 2  5  41 o 23.129  3.94427 0.6098       0.494757  1.4822       0.479057  2.84348     143.426     2.53751     323.426     
1 1 1 2  5  42 o 12.3939 3.61943 -0.395786    0.411887  0.327525     0.413091  7.00655     242.116     19.8339     242.116     
1 1 1 2  5  43 o 77.9426 2.72503 11.339       1.14339   11.3545      1.04944   69.3398     88.0125     9.57147     88.0125     
1 1 1 2  5  44 o 84.8767 2.71335 13.527       1.23914   13.4647      1.1402    82.7515     25.0558     24.8258     25.0558     
1 1 1 2  5  45 o 54.1773 2.84094 4.83264      0.800326  6.31047      0.766083  54.9336     90.839      22.9326     90.839      
1 1 1 2  5  46 f 45.7793 3.36879 5.04942      0.792728  3.13685      0.750961  46.6196     88.2704     0           0           
1 1 1 2  5  47 o 35.6148 3.24917 2.37986      0.586876  2.53402      0.584141  25.4474     42.3958     5.37293     222.396     
1 1 1 2  5  48 o 29.9867 3.71193 1.98118      0.560471  1.61104      0.549325  14.1802     65.9757     18.4021     245.976     
1 1 1 2  5  49 o 14.3549 4.13606 0.345324     0.492859  0.064782     0.487317  0.918614    51.5947     0.61711     231.595     
1 1 1 2  5  50 o 34.7381 3.75633 2.25078      0.644085  2.6183       0.664095  25.331      69.8357     2.95845     249.836     
1 1 1 2  5  51 o 25.4082 4.2833  1.98592      0.571528  0.773741     0.60379   14.387      330.278     8.5776      150.278     
1 1 1 2  5  52 o 26.3243 4.27385 2.1485       0.591331  0.876773     0.599609  20.8367     316.501     4.08813     316.501     
1 1 1 2  5  53 o 28.6094 4.14832 1.28117      0.576673  2.29397      0.617669  21.11       315.816     0.258213    135.816     
1 1 1 2  5  54 o 37.0834 3.5797  3.02504      0.672895  2.71167      0.665678  23.5482     317.634     9.94825     137.634     
1 1 1 2  5  55 o 24.7123 4.00058 0.457719     0.553728  2.37303      0.585592  21.5669     93.8743     9.41116     93.8743     
1 1 1 2  5  56 o 36.266  4.05914 3.40171      0.748569  2.49816      0.716312  32.5348     275.61      11.5658     275.61      
1 1 1 2  5  57 o 16.0376 4.52471 0.353514     0.566053  0.700144     0.580471  6.64648     238.834     1.83581     58.8341     
1 1 1 2  5  58 o 28.8481 4.44024 1.61319      0.650212  2.47783      0.649465  22.6911     265.746     4.67618     265.746     
1 1 1 2  5  59 o 15.0738 4.47582 0.607172     0.631247  0.302703     0.552231  3.73033     242.503     8.94451     62.5026     
1 1 1 2  5  60 o 12.5514 4.09854 -0.207958    0.566828  0.141133     0.672615  1.12907     13.3452     14.2515     13.3452     
1 1 1 2  5  61 o 14.7708 4.53418 -0.200857    0.716858  0.79475      0.663208  3.44672     307.812     7.81783     127.812     
1 1 1 2  5  62 f 14.4951 4.34245 -0.0790846   0.570313  0.842323     0.61916   3.44114     151.579     0           0           
1 1 1 2  5  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  6  0  o 475.833 2.64799 415.215      6.53042   415.215      6.53042   441.456     180         28.4312     1.43974e-05 
1 1 1 2  6  1  o 319.159 2.37803 184.852      3.9319    188.796      3.93621   276.533     104.498     45.2222     284.498     
1 1 1 2  6  2  o 57.7367 2.21547 6.65095      0.661282  5.63272      0.656656  12.307      357.362     55.213      357.362     
1 1 1 2  6  3  o 171.4   2.2635  53.5474      2.00973   54.2078      2.01231   188.176     139.068     100.265     139.068     
1 1 1 2  6  4  o 46.0527 2.26871 4.09978      0.538329  3.72171      0.537096  56.5855     60.2136     153.868     60.2136     
1 1 1 2  6  5  o 109.631 1.86708 21.9526      1.06022   22.1228      1.06184   43.8013     256.117     86.9711     76.1173     
1 1 1 2  6  6  o 213.941 2.08535 82.6588      2.38833   85.2147      2.23145   156.57      122.833     77.8117     302.833     
1 1 1 2  6  7  o 274.281 2.28833 140.571      3.25471   135.384      3.2514    276.457     4.93466     47.3889     4.93466     
1 1 1 2  6  8  o 439.582 2.55269 355.344      5.81588   353.463      5.81728   500.04      64.332      174.261     64.332      
1 1 1 2  6  9  o 234.125 2.06905 100.581      2.51064   100.423      2.51141   265.17      62.0979     111.522     62.0978     
1 1 1 2  6  10 o 196.388 2.01593 68.4111      2.04705   73.0439      2.05601   165.176     163.579     20.9584     343.579     
1 1 1 2  6  11 o 268.827 2.14979 131.839      2.99451   133.144      2.99687   248.29      142.803     2.38117     142.803     
1 1 1 2  6  12 o 715.921 3.45947 943.054      12.8417   937.096      12.8347   751.374     27.1482     151.18      27.1482     
1 1 1 2  6  13 o 387.064 2.43759 276.434      4.89392   272.911      4.88745   367.282     311.876     12.7442     311.876     
1 1 1 2  6  14 o 684.826 3.36083 850.806      11.9261   869.416      11.9338   624.937     59.5966     38.9537     239.597     
1 1 1 2  6  15 o 299.757 2.2464  162.308      3.48695   167.16       3.49354   318.013     201.781     87.7645     201.781     
1 1 1 2  6  16 o 122.427 2.08098 28.3126      1.27876   26.6703      1.35687   33.2119     216.308     139.994     36.3083     
1 1 1 2  6  17 o 98.258  2.26409 18.5755      1.19662   16.8825      1.1072    28.648      163.132     88.9148     343.132     
1 1 1 2  6  18 o 44.078  2.56572 4.063        0.578893  3.14027      0.575486  55.5993     248.303     147.276     248.303     
1 1 1 2  6  19 o 137.809 2.064   34.3626      1.47203   35.2752      1.47666   62.4808     44.5122     108.993     224.512     
1 1 1 2  6  20 o 461.399 2.69303 387.88       6.43672   392.971      6.44498   523.532     140.096     197.976     140.096     
1 1 1 2  6  21 o 294.588 2.44878 158.842      3.7353    159.457      3.7434    262.981     58.3049     8.42276     238.305     
1 1 1 2  6  22 o 196.425 2.21008 69.9527      2.17024   71.5628      2.32909   149.431     182.916     46.8729     2.91623     
1 1 1 2  6  23 o 236.554 2.35158 101.718      2.88141   103.57       2.88546   222.831     247.386     26.099      247.386     
1 1 1 2  6  24 o 480.326 3.2035  420.661      7.972     426.601      7.97999   415.756     126.032     47.3386     306.033     
1 1 1 2  6  25 o 87.9823 2.48217 14.1455      1.12955   14.3112      1.12994   37.2697     326.684     55.2118     146.684     
1 1 1 2  6  26 o 228.539 2.20711 93.373       2.60727   98.3411      2.62106   193.096     81.1874     23.2497     261.187     
1 1 1 2  6  27 o 74.5176 2.21973 9.5731       0.85046   10.8658      0.85836   34.0716     257.09      50.288      77.0897     
1 1 1 2  6  28 o 68.0897 2.34817 8.92341      0.802305  8.14929      0.846256  12.9377     98.012      87.1456     278.012     
1 1 1 2  6  29 o 88.9241 2.35892 14.6822      1.08646   14.4014      1.0843    61.2616     14.6618     26.6503     194.662     
1 1 1 2  6  30 o 32.0414 3.13687 1.80446      0.521707  2.04814      0.48713   5.30853     157.606     30.6562     157.606     
1 1 1 2  6  31 o 86.2138 2.50354 13.8559      1.16178   13.5063      1.07023   56.6775     87.2434     30.0669     267.243     
1 1 1 2  6  32 o 59.7068 2.47551 6.61991      0.786823  6.52673      0.738283  41.0139     166.111     1.13098     346.111     
1 1 1 2  6  33 o 104.956 2.30228 20.0172      1.28625   20.4983      1.21374   101.489     63.9207     26.1393     63.9207     
1 1 1 2  6  34 o 155.47  2.35661 44.6137      1.89887   44.23        1.89945   130.898     260.67      9.5231      80.6703     
1 1 1 2  6  35 o 106.342 2.33652 21.1269      1.25316   20.4943      1.31759   78.9555     247.908     23.5126     67.9078     
1 1 1 2  6  36 o 134.212 2.3339  34.2917      1.56995   32.0045      1.66936   97.5282     289.695     35.9735     109.695     
1 1 1 2  6  37 o 100.259 2.3746  18.3717      1.1944    18.6742      1.26966   106.582     73.4716     49.4512     73.4716     
1 1 1 2  6  38 o 37.6652 3.26472 3.40416      0.595024  2.01515      0.608822  14.052      114.421     20.3527     294.421     
1 1 1 2  6  39 o 68.1801 2.81763 8.915        0.993904  8.34265      0.988324  38.0597     172.782     37.4921     352.782     
1 1 1 2  6  40 o 63.5174 2.79595 7.05001      0.887744  7.97289      0.944216  40.4455     77.0416     24.6193     257.042     
1 1 1 2  6  41 o 72.0517 2.4378  9.24466      0.900604  10.0282      0.914425  64.6613     179.339     10.27       179.339     
1 1 1 2  6  42 o 28.071  3.61998 1.59653      0.519723  1.45576      0.495081  13.6019     274.316     7.85371     94.3155     
1 1 1 2  6  43 o 100.819 2.61534 17.7627      1.2947    20.2061      1.43542   97.9749     146.638     27.6367     146.638     
1 1 1 2  6  44 o 32.6258 4.1035  2.62483      0.567438  1.61024      0.721699  23.907      62.5474     0.357425    242.548     
1 1 1 2  6  45 o 71.893  3.17906 9.57959      1.17937   10.0983      1.17745   52.734      158.887     13.2012     338.887     
1 1 1 2  6  46 o 36.2185 3.61004 2.40197      0.641562  2.73067      0.675981  15.6685     89.8949     26.6166     269.895     
1 1 1 2  6  47 o 14.638  4.13337 0.288751     0.479968  0.215183     0.467279  6.46283     280.982     33.4762     280.982     
1 1 1 2  6  48 o 27.3025 3.96181 2.46188      0.599696  0.723307     0.520456  21.4926     5.078       3.10118     5.078       
1 1 1 2  6  49 o 60.8238 2.9781  8.31594      0.984639  6.04123      0.87709   52.2661     71.6891     6.83295     71.6891     
1 1 1 2  6  50 o 48.8176 3.2819  4.78081      0.848132  4.58758      0.792696  37.7865     162.903     1.72021     342.903     
1 1 1 2  6  51 o 28.4839 4.23514 2.10961      0.596264  1.33527      0.617851  19.9035     138.119     2.47121     318.119     
1 1 1 2  6  52 o 27.8706 4.08113 1.7573       0.569564  1.54116      0.570877  14.4507     137.171     13.153      317.171     
1 1 1 2  6  53 o 25.7347 4.02311 0.530423     0.558878  2.45476      0.593199  22.9253     206.157     10.3714     206.157     
1 1 1 2  6  54 o 29.2182 4.22925 1.26923      0.616798  2.60204      0.62984   22.6706     195.278     2.12708     195.278     
1 1 1 2  6  55 o 21.5874 4.34889 1.61295      0.556562  0.526126     0.569865  13.9008     265.16      1.84298     85.1605     
1 1 1 2  6  56 o 27.0157 4.84032 1.27586      0.705108  2.39192      0.706211  20.2375     163.342     2.65111     163.342     
1 1 1 2  6  57 o 24.5906 4.71187 1.38653      0.606644  1.66072      0.627394  16.7216     14.9607     0.335563    194.961     
1 1 1 2  6  58 o 20.3759 4.88917 0.989605     0.612471  1.23671      0.624658  9.55457     55.2906     8.13305     235.291     
1 1 1 2  6  59 o 13.9586 4.20794 -0.218468    0.570952  0.655862     0.572049  2.18515     226.492     2.0858      46.4919     
1 1 1 2  6  60 o 13.6961 4.23118 0.570782     0.583725  -0.274365    0.624609  1.03605     160.783     1.36729     340.783     
1 1 1 2  6  61 o 12.3797 4.09131 -0.265036    0.672144  0.0527634    0.638981  1.08645     235.386     2.75014     55.3856     
1 1 1 2  6  62 o 10.8394 3.6281  -0.878944    0.552768  0.123331     0.564588  0.543232    285.847     2.83855     105.847     
1 1 1 2  7  0  o 32.8875 2.43286 2.0472       0.403392  2.0472       0.403392  91.5519     180         209.883     180         
1 1 1 2  7  1  f 140.385 2.04723 35.9659      1.4892    36.3105      1.4903    166.63      320.812     0           0           
1 1 1 2  7  2  o 259.326 2.07707 121.59       2.79056   125.056      2.79322   229.175     91.3449     19.8899     271.345     
1 1 1 2  7  3  o 73.8251 2.22327 10.2204      0.847829  9.80702      0.849556  8.13137     42.1321     106.963     42.1321     
1 1 1 2  7  4  f 190.462 2.30267 67.1334      2.27424   65.917       2.27237   99.984      137.763     0           0           
1 1 1 2  7  5  o 319.424 2.21489 186.551      3.66752   187.641      3.66713   230.689     222.491     136.194     42.4913     
1 1 1 2  7  6  o 460.514 2.60719 391.622      6.22653   386.258      6.22062   453.198     286.515     39.2599     286.515     
1 1 1 2  7  7  o 203.241 2.15272 76.6378      2.26874   74.8381      2.2669    174.379     179.986     16.1121     359.986     
1 1 1 2  7  8  f 194.147 2.13839 68.7975      2.15159   69.4146      2.15245   232.244     307.144     0           0           
1 1 1 2  7  9  o 232.898 2.07391 97.5091      2.50049   101.387      2.50635   159.504     279.541     107.931     99.5409     
1 1 1 2  7  10 o 519.674 2.80979 492.37       7.56564   498.025      7.57211   515.259     58.6278     53.748      58.6278     
1 1 1 2  7  11 o 272.696 2.16364 134.756      3.05598   137.901      3.06058   155.729     53.4764     193.417     233.476     
1 1 1 2  7  12 o 85.3427 1.97385 13.9557      0.873062  12.788       0.869848  15.8697     167.468     78.8782     347.468     
1 1 1 2  7  13 o 573.768 2.98901 606.981      8.89295   600.357      8.88661   605.277     184.232     135.892     184.232     
1 1 1 2  7  14 o 442.488 2.6028  364.314      5.97617   353.695      5.96299   346.223     181.321     133.116     1.32125     
1 1 1 2  7  15 o 265.754 2.18287 129.012      3.00591   129.938      3.00814   216.778     181.827     51.4226     1.82669     
1 1 1 2  7  16 o 380.181 2.61452 264.327      5.14689   265.71       5.15799   305.856     274.487     91.9821     94.4866     
1 1 1 2  7  17 o 910.366 4.81702 1516.3       22.7242   1526.81      22.7384   874.891     212.754     49.4989     212.754     
1 1 1 2  7  18 o 128.694 2.19045 29.9745      1.46227   30.7583      1.46      78.3569     159.961     51.425      339.962     
1 1 1 2  7  19 o 180.057 2.09466 59.6934      1.95521   59.1892      1.95483   96.7367     335.312     80.765      335.312     
1 1 1 2  7  20 o 22.3633 3.55147 0.892706     0.403755  1.01667      0.399882  71.1893     193.331     151.615     193.331     
1 1 1 2  7  21 o 132.53  2.2284  31.6382      1.52681   32.7883      1.53469   111.022     280.137     21.5176     280.137     
1 1 1 2  7  22 o 346.871 2.58187 221.854      4.64123   219.618      4.64325   377.59      172.176     127.861     172.176     
1 1 1 2  7  23 o 198.416 2.14677 70.0096      2.20139   74.4472      2.21334   104.92      222.184     142.708     42.1838     
1 1 1 2  7  24 o 223.798 2.7636  91.4079      3.20691   92.4756      3.20496   209.478     129.852     22.0162     129.852     
1 1 1 2  7  25 o 84.0374 2.41143 13.4571      1.09723   12.5176      0.999538  43.4317     36.1871     38.477      216.187     
1 1 1 2  7  26 o 184.328 2.15258 63.2332      2.05817   61.4742      2.05505   167.61      116.618     8.04586     116.618     
1 1 1 2  7  27 o 60.4904 2.30116 6.60044      0.719746  6.87389      0.717757  15.1876     223.919     65.8623     43.919      
1 1 1 2  7  28 o 221.149 2.29068 90.5352      2.53694   89.0606      2.71043   224.506     49.7878     54.0911     49.7878     
1 1 1 2  7  29 o 144.652 2.30618 38.0359      1.72717   38.8176      1.73116   126.991     291.79      0.718229    291.789     
1 1 1 2  7  30 o 128.304 2.16458 30.5551      1.44542   29.9018      1.43379   99.6831     343.082     23.4273     163.082     
1 1 1 2  7  31 o 127.842 2.34525 29.0622      1.54659   31.0417      1.55817   56.4044     39.7606     110.888     219.761     
1 1 1 2  7  32 o 27.8586 3.64693 1.89842      0.485988  1.0947       0.514644  7.47859     150.395     34.0527     150.395     
1 1 1 2  7  33 o 146.88  2.2005  38.5823      1.67103   40.6934      1.67905   171.433     325.735     90.4511     325.735     
1 1 1 2  7  34 o 111.435 2.23536 21.9498      1.28546   23.7432      1.29316   77.4952     343.073     36.3667     163.073     
1 1 1 2  7  35 f 97.973  2.27478 18.3811      1.15691   16.964       1.14933   81.1355     63.1392     0           0           
1 1 1 2  7  36 o 103.318 2.28498 19.6743      1.22041   19.6373      1.22405   63.9742     98.3133     47.0273     278.313     
1 1 1 2  7  37 o 74.2513 2.48417 10.0738      0.978702  10.287       0.926736  30.6227     82.3641     62.1226     262.364     
1 1 1 2  7  38 o 122.264 2.36339 27.3531      1.54446   27.8026      1.44582   97.6127     116.629     13.354      296.629     
1 1 1 2  7  39 o 86.8454 2.80555 13.4515      1.299     14.5447      1.21369   67.5249     332.753     11.6112     152.753     
1 1 1 2  7  40 o 38.8384 3.10361 2.5627       0.61618   3.13171      0.60389   24.5805     217.993     9.79124     37.9933     
1 1 1 2  7  41 o 34.3752 3.41015 2.62304      0.596949  1.90989      0.575178  24.9939     226.541     6.76942     226.541     
1 1 1 2  7  42 o 65.0124 2.57908 8.49553      0.845356  7.29538      0.878768  48.8005     315.423     9.3114      135.423     
1 1 1 2  7  43 o 47.9492 2.97344 4.05906      0.718479  4.63991      0.743421  42.3392     20.9043     8.80878     20.9043     
1 1 1 2  7  44 o 51.1505 2.88742 4.70566      0.698632  5.20312      0.819385  48.9552     142.788     16.0635     142.788     
1 1 1 2  7  45 o 43.2943 3.78331 3.23745      0.818714  4.1071       0.833066  36.9886     109.936     5.29329     109.936     
1 1 1 2  7  46 o 50.4518 2.79585 5.13205      0.723562  4.54372      0.724642  43.9639     223.985     6.437       223.985     
1 1 1 2  7  47 o 29.9419 3.70463 1.43801      0.543141  2.16077      0.555978  15.8204     257.261     14.864      77.2608     
1 1 1 2  7  48 o 68.5521 2.60995 9.00114      0.925973  8.86716      0.922039  65.1029     302.695     19.5153     302.695     
1 1 1 2  7  49 o 61.3041 2.89691 7.00968      0.908966  7.47168      0.921188  59.385      302.033     20.9123     302.033     
1 1 1 2  7  50 o 42.0713 3.54313 3.58561      0.794586  3.48571      0.718763  33.2423     238.344     0.849319    238.344     
1 1 1 2  7  51 o 12.0959 3.85112 -0.0599699   0.492719  -0.242962    0.527506  0.576382    212.085     9.78594     32.085      
1 1 1 2  7  52 o 37.1352 3.51853 2.86952      0.663314  2.75977      0.65709   24.4016     259.703     8.54992     79.7031     
1 1 1 2  7  53 o 17.4034 4.41268 0.146639     0.538364  0.994373     0.55566   8.07195     52.3418     3.20289     52.3418     
1 1 1 2  7  54 o 25.5028 4.2958  0.642207     0.621354  2.38965      0.624042  15.3444     259.354     6.79213     79.3539     
1 1 1 2  7  55 o 14.9268 3.94607 -0.598914    0.497876  0.966745     0.527224  5.54909     347.787     0.735463    167.787     
1 1 1 2  7  56 o 44.4314 4.24963 4.32844      0.986104  4.71482      0.908089  40.1186     280.255     13.8673     280.255     
1 1 1 2  7  57 o 15.3717 4.25248 0.951273     0.569189  -0.196694    0.535968  5.54839     139.482     5.90043     319.482     
1 1 1 2  7  58 o 18.9884 4.6968  1.20157      0.584727  0.678761     0.590232  10.7315     208.017     2.57931     208.017     
1 1 1 2  7  59 o 14.7818 4.39098 0.226728     0.571374  0.605398     0.582212  3.04064     167.055     2.63452     347.055     
1 1 1 2  7  60 o 21.7857 5.54411 1.53759      0.807326  1.50144      0.790534  10.6636     203.871     5.33927     203.871     
1 1 1 2  7  61 o 17.1953 4.77846 0.139366     0.677733  1.3763       0.694487  7.77663     241.934     0.0771982   61.9337     
1 1 1 2  7  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  8  0  o 130.531 2.21578 31.2867      1.49728   31.2867      1.49728   89.529      360         53.2365     360         
1 1 1 2  8  1  o 196.915 2.04784 72.6389      2.16505   69.5584      2.01534   136.818     151.66      81.8157     331.66      
1 1 1 2  8  2  o 217.244 2.01813 85.9962      2.27183   87.0539      2.27337   177.775     5.8922      38.3075     185.892     
1 1 1 2  8  3  o 292.658 2.11307 153.442      3.2046    160.652      3.20528   263.357     127.911     14.7608     307.911     
1 1 1 2  8  4  o 225.467 2.37592 93.5898      2.77908   92.8269      2.77452   240.666     301.262     78.7211     301.262     
1 1 1 2  8  5  o 504.827 2.71015 458.648      7.08782   476.072      7.09438   465.674     112.555     18.6577     292.555     
1 1 1 2  8  6  o 95.7138 1.90311 16.5342      0.942659  17.0821      0.943716  46.7647     288.609     254.422     288.609     
1 1 1 2  8  7  o 697.456 3.61961 899.758      13.0931   884.817      13.0785   653.213     95.1755     9.44108     275.175     
1 1 1 2  8  8  o 527.698 3.01627 515.638      8.25629   505.643      8.24443   407.87      258.225     176.595     78.2251     
1 1 1 2  8  9  o 463.291 2.6276  394.182      6.31104   392.872      6.30938   429.905     109.611     7.29692     289.611     
1 1 1 2  8  10 o 54.2091 2.08054 5.15558      0.579827  5.65587      0.584263  18.7208     316.028     69.1428     316.028     
1 1 1 2  8  11 o 385.824 2.42685 275.21       4.85859   270.622      4.84843   336.557     187.607     44.2456     7.60722     
1 1 1 2  8  12 o 218.504 2.07471 88.4057      2.35025   86.6456      2.34937   196.452     131.173     2.1707      131.173     
1 1 1 2  8  13 o 183.466 2.03225 61.2201      1.9302    62.1901      1.93513   168.75      204.901     20.1338     204.901     
1 1 1 2  8  14 o 239.844 2.12522 105.125      2.64159   105.79       2.64277   215.127     76.2088     1.51012     256.209     
1 1 1 2  8  15 o 292.587 2.3904  157.095      3.6227    156.817      3.62809   235.593     234.809     63.8036     54.8093     
1 1 1 2  8  16 o 407.44  2.80011 303.895      6.12934   304.96       5.68935   425.645     329.653     101.578     329.653     
1 1 1 2  8  17 o 367.048 2.58705 249.808      4.92761   244.309      4.91647   388.928     353.503     106.72      353.503     
1 1 1 2  8  18 o 300.069 2.27558 167.753      3.54064   162.471      3.53776   206.808     266.805     133.878     86.8053     
1 1 1 2  8  19 o 198.855 2.11051 72.1744      2.17305   72.8421      2.17789   174.246     181.41      0.899046    181.41      
1 1 1 2  8  20 o 212.352 2.13437 86.0828      2.35445   79.3706      2.34193   214.637     244.445     59.6068     244.445     
1 1 1 2  8  21 o 138.523 2.22458 35.2021      1.59641   35.186       1.59828   119.095     167.266     21.4705     167.266     
1 1 1 2  8  22 o 504.728 3.02576 474.119      7.92191   461.262      7.90975   518.609     337.265     115.432     337.265     
1 1 1 2  8  23 o 77.9289 2.29667 10.6525      0.922094  11.6828      0.928069  29.641      132.913     13.6536     312.913     
1 1 1 2  8  24 o 42.0344 3.17328 3.2826       0.685586  3.28343      0.675851  16.6597     122.209     65.1335     122.209     
1 1 1 2  8  25 o 178.381 2.29314 58.2553      2.11988   58.5497      2.12083   167.013     32.1286     18.6644     32.1286     
1 1 1 2  8  26 o 75.3912 2.21192 10.7134      0.86366   10.1908      0.861057  60.413      276.522     3.90337     276.522     
1 1 1 2  8  27 o 128.252 2.13286 30.0524      1.41807   30.3336      1.41779   133.562     331.588     46.6962     331.588     
1 1 1 2  8  28 o 249.401 2.24957 112.197      2.90205   116.248      2.91391   264.95      325.95      85.0796     325.95      
1 1 1 2  8  29 o 91.6714 2.35444 14.9808      1.1098    15.9389      1.12365   80.3021     332.833     10.3622     332.833     
1 1 1 2  8  30 f 99.6531 2.27437 18.8035      1.2153    17.7224      1.13153   80.1216     10.2621     0           0           
1 1 1 2  8  31 o 162.641 2.34527 47.5687      1.97122   49.6368      1.98277   172.06      30.9945     61.1876     30.9945     
1 1 1 2  8  32 o 36.992  3.13079 2.72531      0.59086   2.39033      0.584034  2.33282     184.332     41.5895     4.33236     
1 1 1 2  8  33 f 59.5404 2.44026 6.59255      0.748513  6.4855       0.751257  59.665      72.2962     0           0           
1 1 1 2  8  34 o 124.688 2.22259 29.9437      1.44281   27.2586      1.42723   116.674     184.644     20.5483     184.644     
1 1 1 2  8  35 o 111.27  2.2544  21.926       1.29228   23.6661      1.30461   92.0857     301.655     3.96849     121.655     
1 1 1 2  8  36 o 211.149 2.28232 83.9217      2.50225   80.2054      2.49301   191.216     219.043     17.2375     219.043     
1 1 1 2  8  37 o 186.082 2.26875 65.2453      2.19189   62.3341      2.18417   158.637     230.339     3.27863     50.3391     
1 1 1 2  8  38 o 64.3803 2.81989 8.00186      0.940944  7.40002      0.931149  50.805      203.135     4.05515     23.1348     
1 1 1 2  8  39 o 53.9012 2.76777 5.40411      0.77404   5.41936      0.761986  30.789      278.239     26.6512     98.2389     
1 1 1 2  8  40 o 33.7316 3.20964 2.07138      0.547996  2.24783      0.544894  9.87867     33.3248     31.8038     213.325     
1 1 1 2  8  41 o 68.781  2.43944 8.92104      0.868418  8.67699      0.865414  71.5337     111.25      31.6277     111.25      
1 1 1 2  8  42 o 84.14   2.39288 13.1677      1.04237   13.1924      1.04067   64.2447     122.825     11.5604     302.825     
1 1 1 2  8  43 o 8.03974 2.75526 -0.936583    0.371696  -0.370519    0.355069  5.8428      103.025     14.3366     103.025     
1 1 1 2  8  44 o 21.3182 4.79168 0.911765     0.604998  0.887004     0.58564   5.02796     317.676     19.8601     137.676     
1 1 1 2  8  45 o 34.57   3.90002 2.23575      0.71072   2.49006      0.631075  25.4845     65.6781     2.91551     245.678     
1 1 1 2  8  46 o 57.9096 2.75948 6.60393      0.867304  6.12907      0.779674  53.8714     83.165      14.0637     83.165      
1 1 1 2  8  47 o 55.1267 2.80627 6.21345      0.821393  5.40766      0.77141   45.2001     354.058     1.64694     354.058     
1 1 1 2  8  48 o 66.7241 2.80357 8.39915      0.961477  8.66108      0.969042  68.6633     41.0372     30.3873     41.0372     
1 1 1 2  8  49 o 40.0117 3.6322  2.9648       0.703684  3.44936      0.768512  23.348      14.466      16.1939     194.466     
1 1 1 2  8  50 o 60.5083 2.86763 6.84796      0.911869  7.3498       0.873415  55.8489     197.685     15.9442     197.685     
1 1 1 2  8  51 o 18.6705 4.6712  0.785022     0.556248  0.642018     0.577504  8.04873     29.9258     8.94793     209.926     
1 1 1 2  8  52 o 26.5766 4.26677 0.918014     0.57192   2.25468      0.620285  19.2886     270.011     0.225452    90.0112     
1 1 1 2  8  53 o 21.9681 4.33647 0.637601     0.542081  1.54304      0.549327  10.58       325.782     10.5707     145.782     
1 1 1 2  8  54 o 17.3393 4.34083 1.02215      0.53685   0.200355     0.518073  5.82676     234.359     11.7875     54.3586     
1 1 1 2  8  55 o 47.1938 3.79141 5.08432      0.922377  4.6401       0.898895  37.9465     50.8632     4.28339     50.8632     
1 1 1 2  8  56 o 35.6951 4.00633 2.70404      0.691225  3.08978      0.742064  28.6027     162.094     4.77775     162.094     
1 1 1 2  8  57 o 16.8726 4.60688 0.565775     0.557213  0.791916     0.588623  3.33843     106.449     1.206       106.449     
1 1 1 2  8  58 o 15.3115 4.25291 -0.178973    0.548235  0.972424     0.565296  3.95446     166.881     8.96222     346.881     
1 1 1 2  8  59 o 16.7551 4.59129 0.290557     0.584296  1.05827      0.611345  4.87067     139.564     8.88793     319.564     
1 1 1 2  8  60 o 17.0539 5.18704 0.725186     0.848933  0.8716       0.811556  5.65838     73.0242     8.04461     253.024     
1 1 1 2  8  61 o 24.8434 4.78996 3.07777      0.798738  0.548126     0.791181  16.3679     163.892     0.301929    343.892     
1 1 1 2  9  0  f 428.618 2.91525 336.872      6.47569   336.872      6.47569   487.461     180         0           0           
1 1 1 2  9  1  o 360.536 2.49992 240.591      4.67475   236.056      4.66905   257.951     139.895     156.911     319.895     
1 1 1 2  9  2  o 539.387 2.85089 536.322      7.97259   530.628      7.96924   439.582     222.712     134.73      42.7121     
1 1 1 2  9  3  o 61.2795 1.94521 6.09601      0.610316  7.74876      0.616168  10.0222     280.198     58.8309     280.198     
1 1 1 2  9  4  o 189.919 1.97909 67.1867      1.94954   65.0601      1.94681   120.254     294.781     100.091     114.781     
1 1 1 2  9  5  o 515.552 2.77091 490.067      7.40739   484.621      7.40249   446.629     170.07      73.4739     350.07      
1 1 1 2  9  6  f 308.127 2.21599 173.81       3.53944   174.29       3.53935   176.428     309.694     0           0           
1 1 1 2  9  7  o 494.71  2.80143 449.224      7.4281    448.25       6.93169   456.046     53.3289     12.9603     233.329     
1 1 1 2  9  8  o 439.755 2.74653 356.736      6.26303   352.419      6.2583    489.269     40.5415     161.677     40.5415     
1 1 1 2  9  9  o 148.012 2.03184 39.8958      1.50114   40.4243      1.61525   62.0589     158.442     133.585     338.442     
1 1 1 2  9  10 o 172.436 1.98888 53.8206      1.77604   55.1975      1.77925   148.489     77.8318     0.596221    77.8312     
1 1 1 2  9  11 o 547.428 2.89893 550.458      8.2286    548.584      8.22368   583.015     345.405     146.924     345.405     
1 1 1 2  9  12 o 412.534 2.50733 312.893      5.36225   311.165      5.36111   387.14      67.9318     11.1304     67.9318     
1 1 1 2  9  13 o 84.1182 2.00634 13.6938      0.8765    12.2978      0.869122  17.7628     208.365     18.0562     28.3652     
1 1 1 2  9  14 o 389.509 2.6319  280.556      5.31453   275.853      5.31309   298.26      193.144     122.128     13.1435     
1 1 1 2  9  15 o 108.97  2.16348 22.4656      1.2227    21.1204      1.21823   6.47898     31.143      194.507     31.143      
1 1 1 2  9  16 o 251.364 2.30649 116.184      3.01377   115.525      2.9968    288.307     358.739     133.663     358.739     
1 1 1 2  9  17 o 573.179 3.21689 605.575      9.57135   599.982      9.54417   548.09      106.241     38.7506     106.241     
1 1 1 2  9  18 o 196.69  2.10095 69.9939      2.13947   71.8933      2.1444    197.286     26.0313     56.6345     26.0313     
1 1 1 2  9  19 o 157.347 2.07368 44.4357      1.68787   46.3791      1.69438   137.002     341.902     13.2209     341.902     
1 1 1 2  9  20 o 193.896 2.10895 66.3726      2.11164   71.58        2.12592   190.431     27.5628     48.3182     27.5628     
1 1 1 2  9  21 o 345.864 2.56301 223.184      4.59918   215.864      4.59003   362.494     86.9292     100.424     86.9292     
1 1 1 2  9  22 o 170.963 2.42045 53.787       2.14815   53.4866      2.14186   142.923     110.447     11.2525     290.447     
1 1 1 2  9  23 o 117.737 2.40317 24.7204      1.46154   26.2174      1.4679    82.3465     143.506     33.0528     323.506     
1 1 1 2  9  24 o 141.025 2.34629 36.6537      1.64138   36.3584      1.78531   100.026     337.037     47.3603     157.037     
1 1 1 2  9  25 o 37.2323 2.82818 2.40625      0.532672  2.75186      0.540184  12.0993     315.7       70.1989     315.7       
1 1 1 2  9  26 f 55.1644 2.32967 5.71718      0.662722  5.49881      0.663333  46.5892     349.766     0           0           
1 1 1 2  9  27 o 112.087 2.13948 21.8856      1.23251   24.3091      1.24958   115.594     346.921     43.2227     346.921     
1 1 1 2  9  28 o 232.479 2.23008 98.5864      2.68122   99.9149      2.69358   208.665     105.674     4.13448     105.674     
1 1 1 2  9  29 o 162.54  2.32071 46.7495      1.94512   50.3416      1.96412   147.059     25.2894     9.67952     25.2895     
1 1 1 2  9  30 o 40.9233 2.82894 3.04905      0.613568  3.16991      0.569112  8.5564      243.397     30.4199     63.3967     
1 1 1 2  9  31 o 93.2819 2.3007  16.8818      1.15322   15.1537      1.06884   69.1505     250.109     19.1507     70.1089     
1 1 1 2  9  32 o 59.4765 2.64831 6.45651      0.815992  6.60786      0.808474  35.8272     219.356     21.5199     39.3563     
1 1 1 2  9  33 o 82.1982 2.30954 13.1387      0.988788  11.7606      0.973863  63.2922     97.7857     8.87795     277.786     
1 1 1 2  9  34 o 100.338 2.27365 18.8255      1.18156   18.2414      1.18027   97.2162     298.993     28.3158     298.993     
1 1 1 2  9  35 o 94.1088 2.30277 15.688       1.11851   16.9594      1.12367   52.8912     311.328     52.4537     131.328     
1 1 1 2  9  36 o 85.3588 2.324   13.6528      1.02827   13.2296      1.02433   55.6232     90.2351     31.4573     270.235     
1 1 1 2  9  37 o 86.2252 2.47121 13.03        1.09222   14.4757      1.1108    72.1139     38.8091     0.214377    218.808     
1 1 1 2  9  38 o 119.087 2.60698 27.2894      1.6182    25.2546      1.59544   92.3602     103.362     17.976      283.362     
1 1 1 2  9  39 o 18.3716 4.09319 0.643239     0.437789  0.617823     0.432777  3.48526     327.345     23.9816     327.345     
1 1 1 2  9  40 o 20.4992 3.95902 1.07668      0.447344  0.554565     0.442588  1.71875     138.703     5.06528     318.703     
1 1 1 2  9  41 f 9.17794 3.02775 -0.133691    0.373568  -0.638827    0.350175  6.20401     65.9724     0           0           
1 1 1 2  9  42 o 94.9644 2.37075 16.7249      1.1628    16.891       1.16757   75.0971     296.138     8.01203     116.138     
1 1 1 2  9  43 o 13.6021 3.85906 0.444957     0.474391  -0.156147    0.394564  6.39508     54.9432     28.3408     54.9432     
1 1 1 2  9  44 f 43.627  3.75358 4.27134      0.826587  3.19269      0.819116  32.4925     220.476     0           0           
1 1 1 2  9  45 o 75.216  2.60113 11.3688      0.980086  9.98919      1.03393   63.8466     299.743     4.47972     299.743     
1 1 1 2  9  46 o 31.0819 3.89803 1.72968      0.607285  2.15081      0.598648  26.6855     153.554     6.80501     153.554     
1 1 1 2  9  47 o 12.8561 3.83969 0.0743967    0.437906  0.0959995    0.440751  1.24215     231.827     7.76792     51.8269     
1 1 1 2  9  48 o 24.7657 3.62968 0.169941     0.505707  2.43919      0.539153  10.1851     101.732     16.7565     281.732     
1 1 1 2  9  49 f 32.1943 3.81565 2.33801      0.594002  1.89625      0.626138  31.1083     194.565     0           0           
1 1 1 2  9  50 o 10.5404 3.45125 -0.599896    0.444489  -0.0841557   0.465192  0.0490298   147.796     3.46783     147.796     
1 1 1 2  9  51 o 17.1477 4.54842 0.334159     0.557336  0.750618     0.559385  8.79201     180.787     2.36747     0.78668     
1 1 1 2  9  52 o 14.6865 4.26544 0.214006     0.505468  0.368135     0.537031  2.75155     44.3572     13.3723     224.357     
1 1 1 2  9  53 f 9.59266 3.23358 -0.264832    0.449703  -0.710692    0.45119   4.12788     276.514     0           0           
1 1 1 2  9  54 o 29.8696 4.39052 1.82427      0.646156  2.28948      0.670102  22.7441     274.707     2.03654     274.707     
1 1 1 2  9  55 o 18.4978 4.81875 1.02519      0.628514  0.624237     0.603619  9.79054     70.3697     2.1288      70.3697     
1 1 1 2  9  56 o 26.3995 4.51781 2.23245      0.639399  1.24225      0.616524  23.2159     215.923     14.6658     215.923     
1 1 1 2  9  57 o 12.6947 3.99014 -0.194514    0.538784  0.315862     0.53856   1.91835     28.2773     6.99413     208.277     
1 1 1 2  9  58 o 21.2167 4.98182 1.15292      0.619317  1.37277      0.661252  10.8319     337.7       5.00069     157.7       
1 1 1 2  9  59 o 11.6988 3.78205 0.432228     0.570248  -1.12956     0.563278  0.237806    198.329     2.03405     18.3286     
1 1 1 2  9  60 o 31.2815 4.99669 2.646        0.795799  2.7781       0.786627  23.4907     254.78      3.81342     254.78      
1 1 1 2  9  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  10 0  f 361.432 2.34126 239.508      4.38555   239.508      4.38555   243.925     180         0           0           
1 1 1 2  10 1  o 55.1215 2.12737 5.61977      0.60421   5.55327      0.60684   85.284      272.117     244.546     272.117     
1 1 1 2  10 2  f 244.353 2.23142 110.467      2.8275    108.455      2.82508   291.174     128.615     0           0           
1 1 1 2  10 3  o 358.942 2.42558 236.507      4.66783   235.905      4.35318   316.287     234.421     31.787      54.421      
1 1 1 2  10 4  o 531.136 2.8325  512.119      7.7948    522.435      7.8015    515.549     334.253     39.8866     334.253     
1 1 1 2  10 5  o 442.91  2.56772 364.008      5.89913   355.346      5.8906    382.132     98.4628     59.7888     278.463     
1 1 1 2  10 6  o 160.45  1.96932 47.4894      1.63733   46.8964      1.63842   115.581     121.176     44.6257     301.176     
1 1 1 2  10 7  o 392.033 2.50536 289.854      5.27767   273.821      4.90553   359.254     130.482     6.85181     310.482     
1 1 1 2  10 8  o 340.535 2.46521 210.363      4.34765   214.873      4.35522   311.432     334.468     3.39496     154.468     
1 1 1 2  10 9  o 281.275 2.25346 146.088      3.16712   144.004      3.39817   224.029     168.969     65.3215     348.969     
1 1 1 2  10 10 o 477.351 2.68268 411.63       6.63098   424.054      6.64414   440.107     283.853     4.33865     103.853     
1 1 1 2  10 11 o 135.561 1.98476 33.7634      1.39373   33.6143      1.39561   57.8043     113.333     113.81      293.333     
1 1 1 2  10 12 o 136.828 1.99384 33.7245      1.41179   34.9249      1.41626   11.6496     253.989     214.214     73.9891     
1 1 1 2  10 13 o 289.097 2.36701 155.57       3.54666   150.936      3.54696   259.107     241.521     5.80054     61.5211     
1 1 1 2  10 14 o 252.906 2.28907 119.466      3.00136   115.114      2.99967   250.161     63.2111     48.9885     63.2111     
1 1 1 2  10 15 o 255.102 2.23991 119.937      3.05947   118.725      2.86206   201.356     292.529     56.3271     112.529     
1 1 1 2  10 16 o 388.513 2.63743 279.243      5.31902   274.501      5.30381   366.811     15.3121     24.5331     15.3121     
1 1 1 2  10 17 o 155.204 2.05335 44.8424      1.65254   43.5068      1.65109   144.63      224.829     38.1525     224.829     
1 1 1 2  10 18 o 313.047 2.30686 182.387      3.74787   177.138      3.7384    317.005     45.9285     70.8795     45.9285     
1 1 1 2  10 19 o 222.121 2.14312 92.0832      2.47188   88.9232      2.46283   191.406     7.47784     9.66108     187.478     
1 1 1 2  10 20 o 393.09  2.5981  284.66       5.4762    282.514      5.10654   389.723     48.8525     66.5661     48.8525     
1 1 1 2  10 21 o 172.923 2.4205  54.6718      2.17072   55.0852      2.16855   183.678     117.311     71.3352     117.311     
1 1 1 2  10 22 o 235.485 2.52182 99.8959      3.07467   103.724      3.08118   252.137     239.613     84.9442     239.613     
1 1 1 2  10 23 o 321.709 2.51908 193.1        4.20322   186.99       4.19774   304.103     209.656     27.2469     209.656     
1 1 1 2  10 24 o 97.5955 2.13456 18.0605      1.08289   16.9452      1.07367   77.6917     40.141      9.37074     220.141     
1 1 1 2  10 25 o 223.357 2.35342 93.4284      2.72928   89.8102      2.71964   228.715     219.127     59.6223     219.127     
1 1 1 2  10 26 o 265.321 2.34728 132.366      3.34972   126.24       3.10659   246.124     321.472     18.5328     321.472     
1 1 1 2  10 27 o 205.194 2.18511 78.7835      2.32669   75.8581      2.32113   170.76      194.933     21.8569     14.9332     
1 1 1 2  10 28 o 128.674 2.14968 31.3181      1.43599   29.5017      1.43083   98.2901     40.2204     26.3006     220.22      
1 1 1 2  10 29 o 79.0437 2.40777 12.6078      0.990447  10.4451      0.972859  63.1732     204.678     1.34621     24.6784     
1 1 1 2  10 30 o 55.1449 2.66224 6.82364      0.753343  4.52924      0.737225  7.88335     4.83008     72.8071     184.83      
1 1 1 2  10 31 o 263.807 2.3133  127.016      3.16117   128.777      3.16546   263.278     131.443     63.2561     131.443     
1 1 1 2  10 32 o 195.02  2.39186 69.6733      2.41363   70.1888      2.42225   149.718     155.857     40.5689     335.857     
1 1 1 2  10 33 o 123.434 2.30928 27.8873      1.41891   28.1909      1.53198   95.2616     156.744     20.108      336.744     
1 1 1 2  10 34 o 12.9424 3.38056 0.57992      0.389415  -0.700828    0.386455  16.8223     4.33967     37.6792     4.33967     
1 1 1 2  10 35 o 82.2618 2.33118 13.1245      0.991     11.8578      0.99107   63.2277     232.226     9.44675     52.2261     
1 1 1 2  10 36 o 161.712 2.24588 49.7229      1.88504   46.6925      1.87894   145.606     154.788     14.1775     154.788     
1 1 1 2  10 37 o 135.95  2.57696 33.2996      1.81156   35.1177      1.81632   110.17      198.78      11.6018     18.7802     
1 1 1 2  10 38 f 76.1292 2.52505 10.9007      0.995057  10.6076      0.992165  56.0662     114.032     0           0           
1 1 1 2  10 39 o 99.501  2.31835 17.0014      1.18414   19.7462      1.20005   82.8683     141.932     1.08983     321.932     
1 1 1 2  10 40 o 39.352  2.89781 3.10539      0.577071  2.74166      0.585016  18.9216     5.61169     23.9467     185.612     
1 1 1 2  10 41 o 59.4866 2.53311 7.20504      0.779289  6.05886      0.771562  41.7192     42.1647     13.8913     222.165     
1 1 1 2  10 42 o 75.3589 2.44293 11.5939      0.962369  9.6967       0.93724   64.3849     29.451      4.5586      29.451      
1 1 1 2  10 43 o 30.9887 3.899   1.45233      0.591345  2.40351      0.601798  22.9765     39.8757     0.583367    219.876     
1 1 1 2  10 44 o 30.5989 4.03511 1.12514      0.608819  2.74571      0.604125  22.7971     213.121     1.09972     33.1213     
1 1 1 2  10 45 o 47.6749 2.82068 3.91398      0.684062  4.77495      0.692019  38.5516     113.836     0.720746    113.836     
1 1 1 2  10 46 o 47.2739 3.13702 4.86822      0.770854  3.81227      0.741795  35.0608     66.0839     5.30133     246.084     
1 1 1 2  10 47 o 31.5645 3.61543 1.62493      0.551214  2.3978       0.581785  22.7968     283.207     2.45402     103.207     
1 1 1 2  10 48 o 92.2299 2.49574 15.5945      1.18586   16.8194      1.19502   89.379      11.7804     30.7386     11.7804     
1 1 1 2  10 49 o 48.4385 2.94256 4.69403      0.728884  4.45771      0.733831  50.2955     72.0925     25.6442     72.0925     
1 1 1 2  10 50 o 15.8783 4.29108 0.0751534    0.497454  0.716609     0.534158  4.58617     36.4733     0.591105    36.4733     
1 1 1 2  10 51 o 13.2759 3.9088  -0.286496    0.483958  0.441164     0.472777  1.71482     102.167     12.4346     282.167     
1 1 1 2  10 52 o 13.4333 4.07181 -0.0388264   0.504968  0.29093      0.52011   4.24048     72.5491     5.25231     252.549     
1 1 1 2  10 53 o 20.5579 4.63255 1.08858      0.56383   0.908468     0.551193  14.0954     48.6138     7.28469     48.6138     
1 1 1 2  10 54 o 15.6975 4.5009  0.218321     0.576333  0.667162     0.58716   4.78616     294.923     0.00634652  114.925     
1 1 1 2  10 55 o 9.38768 3.20273 -0.625509    0.475578  -0.445201    0.461443  2.2071      128.676     11.2744     128.676     
1 1 1 2  10 56 o 21.4771 4.31265 1.87341      0.593593  0.404551     0.572698  11.8204     117.731     5.39986     297.732     
1 1 1 2  10 57 o 17.7522 4.35624 -0.039719    0.583357  1.39808      0.588381  7.59697     33.591      1.2978      33.591      
1 1 1 2  10 58 o 19.8871 5.07341 1.40754      0.732482  0.881385     0.610986  7.69315     186.525     2.76282     186.525     
1 1 1 2  10 59 o 24.3066 5.23109 1.49414      0.713665  2.01879      0.738354  15.409      34.4999     0.703817    214.5       
1 1 1 2  10 60 o 17.8305 4.71185 1.57406      0.689309  0.0132425    0.672312  9.25996     204.522     0.168461    204.522     
1 1 1 2  11 0  o 307.519 2.22098 173.395      3.53953   173.395      3.53953   325.884     180         75.5738     180         
1 1 1 2  11 1  o 184.951 1.99403 64.4831      1.91337   60.9555      1.90901   209.914     357.481     122.182     357.481     
1 1 1 2  11 2  o 375.575 2.55445 256.668      4.97161   260.591      4.97434   304.091     5.38551     85.2179     185.386     
1 1 1 2  11 3  o 516.643 2.97611 493.485      7.97488   485.483      7.96524   550.355     281.219     142.906     281.219     
1 1 1 2  11 4  o 241.894 2.16038 105.459      2.79931   109.095      2.61136   231.594     142.451     30.2886     142.451     
1 1 1 2  11 5  o 277.371 2.23113 141.292      3.31937   140.802      3.09274   266.784     328.049     31.5857     328.049     
1 1 1 2  11 6  o 667.384 3.40157 816.266      12.1615   817.672      11.3593   602.832     180.672     35.723      0.671983    
1 1 1 2  11 7  o 432.487 2.73078 342.059      6.12147   343.916      6.12246   444.941     270.058     93.287      270.058     
1 1 1 2  11 8  o 220.804 2.21511 91.1518      2.53859   87.6362      2.53145   235.982     109.311     86.9955     109.311     
1 1 1 2  11 9  o 161.061 2.07405 48.2769      1.66759   46.844       1.79119   68.3263     340.21      144.813     160.21      
1 1 1 2  11 10 o 270.787 2.16786 133.401      3.04189   135.479      3.04382   199.213     321.357     92.3882     141.357     
1 1 1 2  11 11 o 173.178 2.00829 55.6031      1.80399   54.368       1.80149   186.083     246.567     95.8863     246.567     
1 1 1 2  11 12 o 390.62  2.61742 283.511      5.30042   276.181      5.29852   383.771     89.0131     53.8461     89.0131     
1 1 1 2  11 13 o 209.454 2.21473 80.2478      2.40055   80.6455      2.40862   184.472     39.6461     1.25753     39.6466     
1 1 1 2  11 14 o 253.324 2.15621 117.932      2.8319    117.427      2.83085   238.012     219.988     24.5195     219.988     
1 1 1 2  11 15 o 449.81  2.80753 373.732      6.55361   368.724      6.53851   421.561     198.055     21.5246     198.055     
1 1 1 2  11 16 o 435.425 2.686   347.442      5.86154   348.297      6.25743   438.44      132.726     84.4334     132.726     
1 1 1 2  11 17 o 40.7051 2.38353 2.99823      0.49504   3.12334      0.50174   40.1451     344.022     107.763     344.022     
1 1 1 2  11 18 o 187.488 2.08879 64.3893      2.02731   64.5692      2.03271   185.922     293.495     48.856      293.495     
1 1 1 2  11 19 o 233.096 2.15824 97.0703      2.59992   102.333      2.6146    193.793     37.255      28.2983     217.255     
1 1 1 2  11 20 o 72.1096 2.15663 8.47942      0.793007  10.7015      0.809011  34.1174     145.734     25.841      325.734     
1 1 1 2  11 21 o 58.404  2.54253 6.48494      0.766332  6.09099      0.765105  10.2151     283.692     64.0985     103.692     
1 1 1 2  11 22 o 291.812 2.64944 157.354      4.00737   155.448      4.00778   314.212     326.519     103.748     326.519     
1 1 1 2  11 23 o 250.27  2.37011 114.784      3.07184   115.234      3.07763   254.057     321.33      60.5242     321.33      
1 1 1 2  11 24 o 94.2251 2.12609 16.3052      1.03647   16.3243      1.03774   91.0395     172.889     29.331      172.889     
1 1 1 2  11 25 o 173.776 2.30033 56.16        2.07417   54.7623      2.06984   173.285     86.1389     41.656      86.1389     
1 1 1 2  11 26 o 219.785 2.35913 89.0654      2.68674   88.3986      2.68862   199.241     334.432     9.69984     334.432     
1 1 1 2  11 27 o 135.45  2.22461 34.2964      1.62014   33.099       1.50324   130.539     340.085     27.8433     340.085     
1 1 1 2  11 28 o 185.666 2.17577 62.731       2.09108   63.891       2.09685   160.107     116.529     5.40885     296.529     
1 1 1 2  11 29 o 112.76  2.3411  23.2146      1.36362   23.5518      1.37015   115.418     143.789     40.4137     143.789     
1 1 1 2  11 30 o 64.9032 2.51969 7.85539      0.84472   7.68237      0.844103  48.2402     184.942     5.15001     4.94224     
1 1 1 2  11 31 o 136.568 2.19212 33.916       1.55107   34.6382      1.55248   109.973     260.562     14.9646     80.5625     
1 1 1 2  11 32 o 126.567 2.38279 29.9994      1.56187   28.9812      1.56156   105.504     313.329     4.57139     133.329     
1 1 1 2  11 33 o 123.768 2.389   28.3405      1.53208   28.096       1.53042   103.271     144.987     3.25476     324.987     
1 1 1 2  11 34 o 81.8842 2.31738 12.531       0.980277  12.2062      0.982827  46.2904     91.2494     43.9832     271.249     
1 1 1 2  11 35 o 23.7657 3.78667 0.789034     0.456256  1.41476      0.465043  4.16715     328.608     35.1479     328.608     
1 1 1 2  11 36 o 46.4242 2.81589 4.40457      0.671921  3.65352      0.665754  30.894      125.744     11.7692     305.744     
1 1 1 2  11 37 o 48.7822 2.87433 4.46293      0.746288  4.43267      0.693214  49.6993     90.4745     29.3374     90.4745     
1 1 1 2  11 38 o 88.3445 2.32355 14.1328      1.05959   14.8044      1.06447   74.2279     184.874     1.13476     184.874     
1 1 1 2  11 39 o 50.1955 2.61573 5.01422      0.685311  4.41734      0.665266  49.815      38.3541     22.4966     38.3541     
1 1 1 2  11 40 o 139.461 2.28803 34.7276      1.64596   37.5702      1.66071   140.415     11.1956     47.4462     11.1956     
1 1 1 2  11 41 o 13.264  3.6215  -0.21052     0.378338  0.482428     0.399537  4.86956     126.893     22.502      126.893     
1 1 1 2  11 42 o 85.5898 2.53791 14.5306      1.13157   12.9971      1.11356   72.1991     266.886     3.23685     266.886     
1 1 1 2  11 43 o 22.8543 4.34439 1.12839      0.527234  0.993083     0.525468  15.5276     234.694     0.945881    234.694     
1 1 1 2  11 44 o 42.9109 3.11822 3.87502      0.693386  3.22313      0.670768  29.5895     195.027     9.3978      15.0269     
1 1 1 2  11 45 o 33.563  3.35224 2.35866      0.567405  2.0644       0.564339  12.5926     312.334     27.7444     132.334     
1 1 1 2  11 46 o 47.7026 3.10649 4.3028       0.759576  4.52986      0.758955  39.3818     40.6644     3.2566      40.6644     
1 1 1 2  11 47 o 14.3853 4.08505 0.45734      0.507864  0.0235297    0.440083  2.64795     280.173     2.17124     100.173     
1 1 1 2  11 48 o 38.3109 3.23551 3.21666      0.63141   2.60359      0.621955  27.8236     18.3694     3.60144     198.369     
1 1 1 2  11 49 o 31.5427 3.69497 1.51033      0.557572  2.64462      0.587339  24.2092     253.007     1.06283     253.007     
1 1 1 2  11 50 f 19.8263 4.61738 0.551661     0.562663  1.14106      0.57498   11.9697     6.57432     0           0           
1 1 1 2  11 51 o 34.7411 3.89151 2.39864      0.703103  2.74158      0.641452  22.9256     214.737     7.00468     34.7369     
1 1 1 2  11 52 o 12.4586 3.9267  -0.176394    0.505815  0.119587     0.527771  0.330865    99.5583     15.9115     99.5583     
1 1 1 2  11 53 o 14.3097 4.12411 0.706001     0.543951  -0.312525    0.519029  4.6105      266.309     3.24267     86.3085     
1 1 1 2  11 54 o 25.593  4.85693 1.38675      0.677661  1.91544      0.657436  21.3885     355.674     12.5985     355.674     
1 1 1 2  11 55 o 21.0478 4.74476 0.923843     0.588263  1.36123      0.597242  9.99919     335.663     8.49603     155.663     
1 1 1 2  11 56 o 23.7117 4.81754 1.81358      0.641641  1.18888      0.633413  12.7397     173.754     6.88683     353.754     
1 1 1 2  11 57 o 31.7305 4.36006 2.00045      0.684997  2.98444      0.692887  27.8033     277.979     13.1675     277.979     
1 1 1 2  11 58 o 14.9446 4.57671 0.576369     0.646904  0.241111     0.674021  2.73907     86.5843     1.38857     266.584     
1 1 1 2  11 59 o 32.4055 4.98583 3.56585      0.833234  2.30509      0.809291  22.4107     287.197     0.485687    107.197     
1 1 1 2  11 60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  12 0  o 25.8642 2.80109 1.30951      0.349408  1.30951      0.349408  44.7085     180         97.2351     180         
1 1 1 2  12 1  o 457.453 2.61511 381.754      6.19863   385.701      6.2034    468.254     131.324     94.9296     131.324     
1 1 1 2  12 2  o 274.65  2.23092 137.664      3.06281   138.938      3.28645   258.405     117.37      21.9622     117.37      
1 1 1 2  12 3  o 478.863 2.86364 420.124      7.10846   420.95       7.10797   377.3       183         129.175     3.00036     
1 1 1 2  12 4  o 332.389 2.45063 203.847      4.22313   201.321      4.22146   355.106     323.658     107.402     323.658     
1 1 1 2  12 5  o 376.297 2.56816 262.858      5.0136    256.473      5.00469   359.234     323.641     30.3929     323.641     
1 1 1 2  12 6  o 434.339 2.73098 344.304      6.14722   347.638      6.14991   469.272     327.44      143.122     327.44      
1 1 1 2  12 7  o 95.9108 2.14787 17.2348      1.06718   16.5346      1.06549   41.57       98.9821     37.4138     278.982     
1 1 1 2  12 8  o 162.437 2.14986 47.244       1.80695   49.528       1.81282   76.3414     122.597     130.036     302.597     
1 1 1 2  12 9  o 359.406 2.44619 238.106      4.39565   235.672      4.71173   313.074     88.1098     28.9179     268.11      
1 1 1 2  12 10 o 105.946 1.99594 20.0295      1.09217   21.1692      1.09766   49.3179     297.377     59.3129     117.377     
1 1 1 2  12 11 o 127.442 2.11946 30.5958      1.399     28.9808      1.40046   103.853     197.207     25.3098     197.207     
1 1 1 2  12 12 o 283.155 2.34684 148.757      3.44313   145.357      3.44571   321.154     212.259     139.648     212.259     
1 1 1 2  12 13 o 277.372 2.26631 139.857      3.35463   142.368      3.15735   242.943     49.8707     11.2245     229.871     
1 1 1 2  12 14 o 251.261 2.30352 114.129      2.99772   117.494      3.00225   238.861     119.721     32.5167     119.721     
1 1 1 2  12 15 o 55.5629 2.32814 5.71746      0.665614  5.64968      0.669406  14.5277     339.58      75.2234     339.58      
1 1 1 2  12 16 o 175.943 2.05405 56.2899      1.87072   57.2778      1.87588   122.356     153.195     62.8022     333.195     
1 1 1 2  12 17 o 361.192 2.41759 237.885      4.5252    240.957      4.52743   345.665     155.705     38.6743     155.705     
1 1 1 2  12 18 o 77.5612 2.10512 10.5992      0.841719  11.518       0.846934  46.0063     183.239     1.96519     183.239     
1 1 1 2  12 19 o 142.71  2.06693 37.4815      1.53047   37.2575      1.52754   115.573     54.3268     17.3889     234.327     
1 1 1 2  12 20 o 77.8556 2.33199 12.0051      0.980206  10.3208      0.898152  16.8238     215.787     98.2293     35.7875     
1 1 1 2  12 21 f 123.111 2.44247 28.3591      1.43353   27.3516      1.66713   143.935     215.901     0           0           
1 1 1 2  12 22 o 175.284 2.44875 58.1163      2.22916   54.7668      2.21951   135.15      217.692     40.1453     37.6925     
1 1 1 2  12 23 o 265.29  2.24799 129.628      3.09213   128.832      3.09051   245.184     354.767     17.5113     354.767     
1 1 1 2  12 24 o 164.371 2.12317 49.1396      1.80709   50.0719      1.81084   169.047     274.55      51.7475     274.55      
1 1 1 2  12 25 o 87.108  2.25342 13.451       0.971301  14.4665      1.06052   67.7384     305.552     7.42428     125.552     
1 1 1 2  12 26 f 60.4725 2.48956 7.18369      0.776894  6.31554      0.774705  19.5349     336.584     0           0           
1 1 1 2  12 27 o 185.521 2.17553 60.5701      2.08203   65.9106      2.10015   178.621     283.502     33.0541     283.502     
1 1 1 2  12 28 o 60.0195 2.3697  6.82626      0.736036  6.45716      0.732269  36.6134     348.588     20.4823     168.588     
1 1 1 2  12 29 o 18.5495 3.64606 1.15652      0.434815  0.00213076   0.42568   11.6281     49.7165     30.8967     49.7165     
1 1 1 2  12 30 o 83.0065 2.44481 13.4298      1.05602   11.9783      1.04139   57.7784     181.102     21.6092     1.10173     
1 1 1 2  12 31 o 39.1663 2.85607 3.20325      0.568975  2.52979      0.566967  4.72664     177.027     1.7326      357.027     
1 1 1 2  12 32 o 108.368 2.31428 21.489       1.34163   21.7774      1.25322   92.2321     47.5705     2.73899     47.5704     
1 1 1 2  12 33 o 115.891 2.40173 26.7544      1.45049   22.8586      1.42693   106.474     46.6017     17.4459     46.6017     
1 1 1 2  12 34 o 67.2503 2.39104 8.09373      0.829924  8.63625      0.831097  69.5196     350.27      32.621      350.27      
1 1 1 2  12 35 o 48.6385 2.75868 3.95918      0.680218  4.88022      0.694267  31.7711     349.152     14.244      169.152     
1 1 1 2  12 36 o 85.0389 2.64547 12.833       1.15747   14.0333      1.16773   79.0794     321.652     16.6843     321.652     
1 1 1 2  12 37 o 34.1317 3.1575  2.36625      0.529299  2.05746      0.555767  19.5232     114.332     10.3822     294.332     
1 1 1 2  12 38 o 36.6592 2.94886 2.6469       0.551947  2.4353       0.548115  26.4824     236.402     0.886345    56.4016     
1 1 1 2  12 39 o 151.814 2.2833  42.3742      1.79385   43.2551      1.79972   137.38      177.572     20.3642     177.572     
1 1 1 2  12 40 o 16.8182 3.85137 0.104397     0.421384  0.846426     0.424215  2.40293     282.418     25.8606     282.418     
1 1 1 2  12 41 o 47.6285 2.71574 4.03591      0.658232  4.55096      0.670003  42.2829     270.586     8.61974     270.586     
1 1 1 2  12 42 o 28.921  3.97818 1.26756      0.559492  2.11507      0.58833   20.7557     134.503     1.83428     314.503     
1 1 1 2  12 43 o 53.4002 2.74077 5.5671       0.77432   5.25687      0.732817  52.7288     51.762      19.9752     51.762      
1 1 1 2  12 44 o 15.7173 4.20131 0.304848     0.471128  0.468388     0.470446  4.9829      285.369     3.08808     105.369     
1 1 1 2  12 45 o 9.24868 3.09337 -0.480994    0.373459  -0.33883     0.408825  0.434183    235.975     1.89831     235.975     
1 1 1 2  12 46 o 65.7492 2.71019 8.71865      0.89373   7.85365      0.93994   51.1569     67.8657     2.79673     247.866     
1 1 1 2  12 47 o 26.2921 4.16748 0.947461     0.578823  1.99313      0.556073  17.8285     162.606     2.46017     342.606     
1 1 1 2  12 48 o 51.6252 2.85142 5.28066      0.759183  5.10942      0.754714  44.915      53.7906     9.10658     53.7906     
1 1 1 2  12 49 o 18.498  4.32484 0.504106     0.490107  0.925611     0.497435  8.78687     229.263     4.05386     229.263     
1 1 1 2  12 50 o 15.188  4.30022 0.57392      0.532812  0.092386     0.523902  4.07539     333.52      11.2127     153.52      
1 1 1 2  12 51 o 32.9714 3.89284 2.99394      0.642721  1.76407      0.617628  32.95       339.201     18.0473     339.201     
1 1 1 2  12 52 o 30.3326 4.45335 2.83101      0.689579  1.49415      0.675673  18.8713     7.89995     6.97776     187.9       
1 1 1 2  12 53 o 18.0704 4.25552 -0.291971    0.569234  1.48336      0.606471  9.38687     279.691     2.09702     279.691     
1 1 1 2  12 54 o 22.221  4.21293 2.0139       0.590705  0.352343     0.587242  16.4504     251.837     5.28493     251.837     
1 1 1 2  12 55 o 17.8794 4.75402 0.609576     0.571825  1.02164      0.633768  9.28763     245.192     0.201189    245.192     
1 1 1 2  12 56 o 15.1011 4.44954 0.332073     0.616634  0.563146     0.553636  3.69292     316.545     7.45384     136.545     
1 1 1 2  12 57 f 29.1296 4.63557 2.2528       0.680148  2.09502      0.686328  20.0509     57.4896     0           0           
1 1 1 2  12 58 o 38.0708 4.83049 3.46925      0.947706  4.19854      0.869782  33.8126     176.505     14.4211     176.505     
1 1 1 2  12 59 o 15.0337 4.28457 -0.444123    0.598453  1.09257      0.606942  4.7769      102.12      6.86754     282.12      
1 1 1 2  13 0  o 235.013 2.08312 101.293      2.53679   101.293      2.53679   137.306     4.88757e-06 160.306     180         
1 1 1 2  13 1  o 582.326 3.00123 624.965      9.06112   619.212      9.05739   635.729     247.435     202.345     247.435     
1 1 1 2  13 2  o 181.225 2.0041  60.2374      1.88218   60.1964      1.88312   147.025     287.962     18.3365     107.962     
1 1 1 2  13 3  o 367.456 2.46204 244.861      4.52234   250.41       4.85418   425.588     244.9       186.981     244.9       
1 1 1 2  13 4  o 249.005 2.26732 113.687      2.92667   113.715      2.92637   272.181     16.5157     106.451     16.5157     
1 1 1 2  13 5  o 212.447 2.20245 81.0896      2.42148   84.4577      2.42875   145.163     10.475      86.3053     190.475     
1 1 1 2  13 6  o 191.396 2.19213 66.3316      2.17438   68.0269      2.17507   195.423     127.739     66.5247     127.739     
1 1 1 2  13 7  o 202.382 2.20547 73.5288      2.31005   76.7132      2.31666   200.797     142.281     53.165      142.281     
1 1 1 2  13 8  o 168.805 2.1664  51.3576      1.89277   53.1645      1.89817   103.553     23.7219     84.6951     203.722     
1 1 1 2  13 9  o 109.944 2.07871 22.7587      1.13813   21.6146      1.22461   8.12049     169.31      199.456     169.31      
1 1 1 2  13 10 o 583.083 3.22484 622.516      9.74144   625.754      9.75243   586.886     341.82      108.995     341.82      
1 1 1 2  13 11 o 290.73  2.37123 154.965      3.57121   155.151      3.57581   279.758     71.5201     39.6413     71.52       
1 1 1 2  13 12 o 27.3338 2.7365  1.41397      0.387055  1.38289      0.366633  14.0252     280.457     31.738      280.457     
1 1 1 2  13 13 o 85.9289 2.04708 13.1886      0.908324  13.9348      0.91227   27.371      175.445     3.90693     175.445     
1 1 1 2  13 14 o 57.629  2.30063 5.71556      0.679967  6.52423      0.687059  28.4639     55.8219     136.07      55.8219     
1 1 1 2  13 15 o 40.8243 2.44311 2.9932       0.492082  3.16945      0.532263  10.7184     239.19      41.7452     239.19      
1 1 1 2  13 16 o 184.258 2.06556 61.756       1.97033   62.831       1.97531   125.195     210.494     76.4875     30.4936     
1 1 1 2  13 17 o 68.0702 2.13829 8.37404      0.750836  8.6666       0.754268  40.3677     180.456     16.0395     0.455586    
1 1 1 2  13 18 o 244.074 2.17052 109.534      2.74537   109.136      2.74682   220.808     202.101     4.26351     202.101     
1 1 1 2  13 19 o 154.223 2.20965 44.0353      1.76733   43.2871      1.76551   182.494     230.256     98.7801     230.256     
1 1 1 2  13 20 o 230.025 2.39228 97.2186      2.96438   97.1167      2.73603   207.71      246.568     5.81321     246.568     
1 1 1 2  13 21 f 243.16  2.53804 106.806      3.19298   110.457      3.20463   157.187     211.297     0           0           
1 1 1 2  13 22 o 93.7393 2.36109 16.0657      1.10042   16.2544      1.18919   67.6182     169.239     21.4021     349.239     
1 1 1 2  13 23 o 127.76  2.10937 29.4974      1.39414   30.4443      1.39956   125.695     171.195     33.4737     171.195     
1 1 1 2  13 24 o 257.759 2.25108 121.965      3.00713   122.09       3.00828   268.601     332.707     82.5782     332.707     
1 1 1 2  13 25 o 109.419 2.14067 21.367       1.21158   22.6485      1.21367   65.5975     220.734     56.6409     40.7342     
1 1 1 2  13 26 o 9.84173 3.15865 -0.0380771   0.369883  -0.508484    0.351371  43.295      84.4792     91.5785     84.4792     
1 1 1 2  13 27 f 79.205  2.3548  11.2362      0.99585   11.8676      0.929842  62.7705     107.983     0           0           
1 1 1 2  13 28 f 64.7526 2.35134 7.70376      0.786808  7.75272      0.786359  51.367      125.128     0           0           
1 1 1 2  13 29 o 80.0233 2.42891 12.1319      1.00689   11.473       1.00298   54.0159     308.927     23.2286     128.927     
1 1 1 2  13 30 o 40.2549 3.09784 3.31088      0.667636  2.75172      0.604379  9.44297     115.016     3.34252     295.016     
1 1 1 2  13 31 o 50.1498 2.55927 4.13454      0.652383  5.21275      0.663229  10.9536     260.747     56.1995     80.7474     
1 1 1 2  13 32 f 79.3628 2.31229 11.0072      0.940517  12.2561      0.956569  65.4337     301.707     0           0           
1 1 1 2  13 33 o 170.576 2.39845 53.128       2.11526   54.2496      2.12608   164.124     169.499     36.8161     169.499     
1 1 1 2  13 34 o 43.0158 2.86233 3.71348      0.59893   3.21382      0.653465  11.3679     241.836     46.4906     61.836      
1 1 1 2  13 35 o 71.6182 2.60209 9.73932      0.996539  9.32012      0.928906  62.3138     286.139     6.79973     286.139     
1 1 1 2  13 36 o 84.3801 2.49298 13.8208      1.09219   12.6422      1.08254   73.6322     244.223     7.39571     244.223     
1 1 1 2  13 37 o 104.621 2.28551 20.8702      1.241     19.7588      1.2344    81.2072     358.256     12.3668     178.256     
1 1 1 2  13 38 o 38.5969 2.87196 3.19037      0.56745   2.46824      0.557119  26.8617     339.394     5.83371     159.394     
1 1 1 2  13 39 o 50.3609 2.64886 5.62832      0.692968  3.98447      0.667311  39.8616     249.922     1.26512     69.9223     
1 1 1 2  13 40 o 37.7518 2.99241 2.56407      0.569059  2.88781      0.580742  26.4028     260.583     6.4773      80.5833     
1 1 1 2  13 41 o 27.7305 3.8251  1.68781      0.530271  1.37701      0.529097  17.5975     150.415     6.46991     330.415     
1 1 1 2  13 42 o 22.5776 4.13763 0.955643     0.481696  1.11527      0.495892  7.26926     198.747     19.041      18.7466     
1 1 1 2  13 43 o 8.65564 2.89214 -0.120525    0.363632  -0.841353    0.342809  2.9748      48.7251     10.1541     48.7251     
1 1 1 2  13 44 o 50.3428 2.96462 5.14396      0.774391  4.63311      0.757858  46.0725     205.835     12.5497     205.835     
1 1 1 2  13 45 o 48.3273 2.98311 4.54643      0.713929  4.50319      0.764209  45.974      273.449     16.3609     273.449     
1 1 1 2  13 46 o 21.8908 4.36905 0.800593     0.506723  1.23442      0.540345  5.28218     58.2411     21.4116     238.241     
1 1 1 2  13 47 o 20.7469 4.2978  0.282207     0.551767  1.46782      0.558167  5.80628     326.565     18.2843     146.565     
1 1 1 2  13 48 o 34.3785 3.46576 2.63821      0.601204  2.18265      0.594329  29.6602     47.9341     7.62241     47.9341     
1 1 1 2  13 49 o 38.5673 3.3917  3.48986      0.671344  2.61751      0.645097  29.202      48.5845     0.544716    228.585     
1 1 1 2  13 50 o 12.9481 3.98959 -0.00112517  0.503175  0.147224     0.504747  1.59535     207.756     12.4338     27.756      
1 1 1 2  13 51 o 29.595  4.33332 1.65548      0.668211  2.3469       0.616784  22.7024     269.311     2.47467     269.311     
1 1 1 2  13 52 o 15.0827 4.53906 -0.0284372   0.57405   0.65806      0.687878  4.96732     102.149     3.25159     282.149     
1 1 1 2  13 53 o 9.84973 3.38146 -0.520792    0.565355  -0.764969    0.510349  1.88718     10.4358     11.5153     10.4358     
1 1 1 2  13 54 o 16.681  4.57076 0.719297     0.580453  0.589852     0.547544  7.79355     40.7532     2.11184     220.753     
1 1 1 2  13 55 o 17.2891 4.26822 1.29584      0.561338  -0.0421205   0.556708  7.24922     305.885     0.191954    305.885     
1 1 1 2  13 56 o 26.9073 4.33998 2.94713      0.672347  0.858745     0.640781  20.4456     186.273     6.2017      186.273     
1 1 1 2  13 57 o 15.1646 4.55059 -0.42282     0.777633  0.924742     0.645311  3.2513      32.173      1.00467     212.173     
1 1 1 2  13 58 o 10.584  3.56548 -0.145535    0.531223  -0.57358     0.561275  0.186788    107.517     4.50457     287.517     
1 1 1 2  13 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  14 0  o 86.8215 1.9985  13.8628      0.89726   13.8628      0.89726   6.54859     180         1.23236     5.87948e-07 
1 1 1 2  14 1  o 262.5   2.14577 127.809      2.92141   124.948      2.91781   234.818     32.2625     2.32437     32.2623     
1 1 1 2  14 2  o 212.418 2.05738 84.6294      2.26835   80.8888      2.26164   183.068     282.062     5.40881     102.062     
1 1 1 2  14 3  o 24.7538 2.83589 1.45475      0.347732  0.885143     0.343054  83.9356     75.0602     181.896     75.0602     
1 1 1 2  14 4  o 404.194 2.57413 303.035      5.20544   296.458      5.57038   351.027     269.713     30.9785     89.7134     
1 1 1 2  14 5  o 176.108 2.09353 56.6066      1.84153   57.1571      1.97889   142.69      157.027     15.7206     337.027     
1 1 1 2  14 6  o 257.401 2.28825 121.648      3.0539    121.427      3.05235   240.324     228.177     23.8593     228.177     
1 1 1 2  14 7  o 374.129 2.57398 252.995      4.98835   260.717      4.99449   391.382     86.6917     108.321     86.6917     
1 1 1 2  14 8  o 60.7298 2.28915 6.73276      0.717298  6.83789      0.718712  7.17075     229.906     74.9682     229.906     
1 1 1 2  14 9  o 144.968 2.24208 39.4936      1.61039   37.6282      1.75209   123.644     173.634     6.24868     173.634     
1 1 1 2  14 10 o 162.918 2.13912 50.1306      1.80672   47.2756      1.80512   101.108     261.494     81.5257     81.4944     
1 1 1 2  14 11 o 252.383 2.21603 116.384      2.98736   117.362      2.80728   273.3       80.7441     99.2408     80.7441     
1 1 1 2  14 12 o 160.06  2.02102 45.0978      1.67113   48.9419      1.68076   153.584     121.107     32.1128     121.107     
1 1 1 2  14 13 o 430.923 2.75791 348.346      6.17236   333.76       6.14686   449.611     53.117      121.05      53.117      
1 1 1 2  14 14 o 258.493 2.3143  122.885      3.10186   122.403      3.10009   234.245     95.621      5.37963     95.621      
1 1 1 2  14 15 o 129.786 2.04145 29.9592      1.36739   31.874       1.37875   79.3675     143.281     69.1726     323.281     
1 1 1 2  14 16 o 167.266 2.05318 53.0341      1.78167   49.68        1.7774    132.858     271.035     30.177      91.0355     
1 1 1 2  14 17 o 260.574 2.20584 123.589      2.97502   125.702      2.98376   237.887     252.186     10.4038     252.186     
1 1 1 2  14 18 o 155.347 2.19264 44.7883      1.76562   43.8236      1.7655    136.594     199.294     1.2228      199.293     
1 1 1 2  14 19 o 72.2448 2.26206 8.80629      0.835373  10.4335      0.851248  33.0795     259.569     51.064      79.5689     
1 1 1 2  14 20 o 96.2215 2.25798 16.967       1.1287    17.0751      1.12057   100.679     314.607     49.7216     314.607     
1 1 1 2  14 21 o 54.9051 2.61465 5.17422      0.734135  5.97048      0.743041  28.8549     255.498     14.6867     75.4984     
1 1 1 2  14 22 o 87.8982 2.21878 13.8002      0.972273  14.62        1.0465    56.7051     100.473     33.109      280.473     
1 1 1 2  14 23 o 126.599 2.11559 29.489       1.38925   29.3729      1.38743   101.13      339.549     15.568      159.549     
1 1 1 2  14 24 o 48.9746 2.4304  4.49105      0.611771  4.36775      0.61424   20.5974     42.0461     5.80237     42.0461     
1 1 1 2  14 25 o 150.34  2.14649 41.8921      1.67118   41.1429      1.67421   149.337     356.655     39.4267     356.655     
1 1 1 2  14 26 o 143.491 2.32513 38.6419      1.72989   37.056       1.72841   144.803     8.01262     43.9068     8.01262     
1 1 1 2  14 27 o 105.087 2.36604 20.4732      1.28689   20.1788      1.28746   101.027     2.49713     27.1136     2.49713     
1 1 1 2  14 28 o 147.65  2.17762 41.5531      1.67071   38.6347      1.66128   105.134     214.002     42.907      34.0015     
1 1 1 2  14 29 o 24.8606 3.81854 1.69874      0.484537  0.719947     0.490386  2.69844     23.802      12.4532     23.802      
1 1 1 2  14 30 o 20.8603 4.0402  0.731825     0.444497  0.93813      0.458056  4.02393     121.104     14.6909     121.104     
1 1 1 2  14 31 o 135.12  2.20055 33.444       1.53572   33.8184      1.54685   126.946     86.713      24.5424     86.713      
1 1 1 2  14 32 o 47.8858 2.59043 4.26831      0.636327  4.25592      0.639891  38.6465     113.587     2.65636     113.587     
1 1 1 2  14 33 o 64.2729 2.5903  7.81898      0.861052  7.52085      0.857601  54.9598     349.805     5.09892     349.805     
1 1 1 2  14 34 o 89.0545 2.65299 14.4073      1.21277   15.065       1.23098   87.9398     160.163     28.264      160.163     
1 1 1 2  14 35 o 106.876 2.41016 21.8974      1.34152   20.5044      1.32492   78.8136     47.185      21.3062     227.185     
1 1 1 2  14 36 o 56.7473 2.51435 6.40405      0.736863  5.62737      0.732668  41.9493     333.263     7.90272     153.263     
1 1 1 2  14 37 o 37.4455 2.88238 2.62475      0.551362  2.68761      0.549444  23.4648     169.239     11.0819     349.239     
1 1 1 2  14 38 o 11.3691 3.4561  -0.00238519  0.375958  -0.00928462  0.358228  1.27381     238.662     5.09237     238.662     
1 1 1 2  14 39 o 41.8029 2.82822 3.28781      0.604156  3.35276      0.606576  32.2013     242.962     1.7483      62.9621     
1 1 1 2  14 40 o 30.308  3.53663 1.77561      0.53862   1.8268       0.533737  18.5245     143.388     9.62881     323.388     
1 1 1 2  14 41 o 60.761  2.86191 7.68842      0.907167  6.37713      0.881149  55.7915     304.911     13.6162     304.911     
1 1 1 2  14 42 o 13.0506 3.7865  0.243777     0.416842  0.0368984    0.4093    2.0737      52.2559     19.6576     52.2559     
1 1 1 2  14 43 o 33.583  3.36875 2.48894      0.567604  1.97113      0.565137  18.2321     270.538     15.717      90.5381     
1 1 1 2  14 44 o 51.0982 2.85101 5.17287      0.779506  4.89269      0.718496  48.1279     116.858     16.0415     116.858     
1 1 1 2  14 45 o 21.0483 4.36633 1.16577      0.512626  0.688259     0.527799  12.401      197.239     2.9641      17.2386     
1 1 1 2  14 46 o 33.9447 3.4411  2.27165      0.576581  2.36646      0.599843  25.6565     18.7694     0.131581    198.769     
1 1 1 2  14 47 o 62.8136 2.935   7.72801      0.957764  7.7702       0.942653  51.5372     138.245     4.57702     138.245     
1 1 1 2  14 48 o 21.4522 4.64165 0.777999     0.578368  1.28897      0.577097  12.5595     30.0846     4.71003     210.085     
1 1 1 2  14 49 o 22.0623 4.25564 0.449211     0.521482  1.77589      0.588212  12.1491     38.3781     7.15312     218.378     
1 1 1 2  14 50 o 51.2546 3.3361  4.82916      0.856737  6.10778      0.887744  49.7279     183.988     21.6194     183.988     
1 1 1 2  14 51 o 42.957  3.84216 3.84199      0.87339   4.2453       0.782855  36.9286     338.769     9.78696     338.769     
1 1 1 2  14 52 f 14.4336 4.41729 0.279007     0.637314  0.253331     0.577894  8.47414     154.932     0           0           
1 1 1 2  14 53 f 15.3994 4.29409 -0.258643    0.56755   0.965369     0.579987  8.11624     274.098     0           0           
1 1 1 2  14 54 o 27.4893 4.67686 1.52275      0.686144  2.37626      0.658898  19.5182     4.92634     1.54609     4.92633     
1 1 1 2  14 55 o 22.8485 4.91676 1.69498      0.645811  1.17841      0.647207  12.7364     167.448     3.43482     347.448     
1 1 1 2  14 56 o 11.6863 3.83943 0.0589112    0.556986  -0.369919    0.577797  0.425978    287.404     3.92598     107.404     
1 1 1 2  14 57 o 14.8883 4.41206 0.807428     0.60617   0.0871869    0.586051  4.21474     99.119      1.20596     279.119     
1 1 1 2  14 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  15 0  o 89.5025 2.0062  14.7317      0.928646  14.7317      0.928646  56.2901     180         35.7603     8.17236e-06 
1 1 1 2  15 1  o 165.286 1.99964 50.6899      1.71424   49.5363      1.71209   142.757     92.9551     2.13626     92.9551     
1 1 1 2  15 2  o 76.5248 2.02747 10.5164      0.800344  11.0004      0.805086  25.9416     53.5412     48.58       233.541     
1 1 1 2  15 3  o 69.6842 2.05564 8.32162      0.736134  9.54584      0.743456  20.3637     153.422     23.4636     333.422     
1 1 1 2  15 4  o 113.745 1.98685 24.0058      1.17227   23.461       1.17056   96.2991     134.605     17.4513     134.605     
1 1 1 2  15 5  o 214.985 2.07112 83.8036      2.30592   85.7811      2.30996   199.917     323.047     20.6905     323.047     
1 1 1 2  15 6  o 226.45  2.17951 95.2333      2.46543   92.95        2.64563   219.996     176.423     39.4293     176.423     
1 1 1 2  15 7  o 30.4406 2.65257 1.85219      0.388839  1.60621      0.424431  48.8036     62.6478     124.168     62.6478     
1 1 1 2  15 8  o 16.2432 3.34784 0.366769     0.281838  0.623825     0.323357  20.3646     341.262     43.6419     341.262     
1 1 1 2  15 9  o 323.254 2.55841 195.423      4.10589   188.299      4.45328   338.586     242.761     97.0561     242.761     
1 1 1 2  15 10 o 40.3885 2.37914 3.41889      0.508402  2.63676      0.475753  6.60977     241.603     52.2539     241.603     
1 1 1 2  15 11 o 236.024 2.11845 101.13       2.58966   103.334      2.5938    262.149     306.666     104.093     306.666     
1 1 1 2  15 12 f 78.899  2.11637 11.8482      0.894311  11.0403      0.833928  54.709      211.269     0           0           
1 1 1 2  15 13 o 215.054 2.24719 84.2212      2.50505   85.5763      2.50496   177.847     81.3779     27.2137     261.378     
1 1 1 2  15 14 o 76.3462 2.05699 10.9564      0.813955  10.4728      0.810914  60.2117     137.846     1.96009     137.845     
1 1 1 2  15 15 o 174.206 2.06255 55.0771      1.8599    56.3314      1.86498   186.328     47.3799     68.1688     47.3799     
1 1 1 2  15 16 o 52.002  2.18947 4.7554       0.582319  5.2146       0.59215   0.982301    169.659     77.3322     349.659     
1 1 1 2  15 17 o 196.956 2.2432  69.9532      2.28744   72.5241      2.29243   177.698     38.1244     8.75199     38.1244     
1 1 1 2  15 18 o 302.775 2.44275 164.724      3.82859   172.139      3.83781   303.134     120.765     69.8047     120.765     
1 1 1 2  15 19 o 75.6912 2.15819 10.5995      0.846005  10.4747      0.84405   66.684      281.69      20.3288     281.69      
1 1 1 2  15 20 o 151.326 2.34081 41.4043      1.90407   42.7325      1.76292   128.233     140.791     6.04227     320.791     
1 1 1 2  15 21 o 198.084 2.39976 70.8101      2.54844   73.3846      2.37273   196.748     133.043     47.7579     133.043     
1 1 1 2  15 22 o 84.7048 2.24667 13.7188      0.950897  12.688       1.01381   76.2241     127.165     14.8239     127.165     
1 1 1 2  15 23 o 94.3681 2.16198 17.5675      1.05879   15.225       1.05004   76.6824     136.676     4.78617     316.676     
1 1 1 2  15 24 o 160.916 2.14647 46.1059      1.78419   49.0623      1.79568   152.456     71.4761     27.5548     71.4761     
1 1 1 2  15 25 o 80.5656 2.2232  13.1087      0.932     10.8405      0.916339  68.7908     185.117     7.807       185.117     
1 1 1 2  15 26 o 66.1749 2.39932 7.55505      0.779871  8.61501      0.861352  51.3676     248.422     1.76964     248.422     
1 1 1 2  15 27 f 100.008 2.37077 17.3455      1.21208   19.5396      1.24068   49.1306     314.566     0           0           
1 1 1 2  15 28 o 63.653  2.34699 7.90392      0.769444  7.06795      0.771931  59.3293     75.0571     28.3232     75.0571     
1 1 1 2  15 29 o 105.904 2.37164 21.3205      1.30107   20.068       1.29868   93.563      209.392     9.52299     209.392     
1 1 1 2  15 30 o 148.439 2.3531  42.0109      1.81763   39.2966      1.80248   135.692     106.016     18.8456     106.016     
1 1 1 2  15 31 o 18.9648 3.53333 0.170477     0.393617  1.16028      0.403059  6.7141      11.6983     34.6006     11.6983     
1 1 1 2  15 32 o 71.1988 2.32765 9.00175      0.852872  9.78449      0.859695  65.946      196.113     15.4019     196.113     
1 1 1 2  15 33 o 66.2861 2.64004 8.32948      0.943282  8.02936      0.863002  66.0137     176.138     25.4086     176.138     
1 1 1 2  15 34 o 66.2706 2.8085  9.31766      1.04128   7.17114      0.88132   73.688      294.239     42.4501     294.239     
1 1 1 2  15 35 o 59.1231 2.61498 6.56183      0.799591  6.51142      0.795212  57.2521     72.5974     20.0221     72.5974     
1 1 1 2  15 36 o 51.9891 2.57408 4.78422      0.686536  5.36152      0.69042   44.5116     99.4477     5.89997     99.4477     
1 1 1 2  15 37 o 25.1724 3.61678 1.18689      0.447445  1.31324      0.464348  8.48884     287.696     20.1462     107.696     
1 1 1 2  15 38 f 72.5653 2.40922 9.91903      0.902405  9.82386      0.904952  51.1804     29.2023     0           0           
1 1 1 2  15 39 o 46.9772 2.7789  4.02963      0.688635  4.34964      0.648929  38.7137     345.269     2.28817     345.269     
1 1 1 2  15 40 o 46.5909 3.01468 4.51847      0.702783  3.81169      0.729202  37.252      110.166     0.320293    110.166     
1 1 1 2  15 41 o 56.4091 2.77023 6.40811      0.804688  5.73381      0.803207  49.2856     355.534     8.45611     355.534     
1 1 1 2  15 42 o 60.56   2.59636 6.49986      0.800716  7.47755      0.819703  53.0739     279.504     9.60854     279.504     
1 1 1 2  15 43 o 16.7455 4.09773 0.633403     0.441763  0.427862     0.430537  6.86289     303.141     3.95537     123.141     
1 1 1 2  15 44 o 62.7871 2.85147 7.78295      0.92041   7.45285      0.925348  63.0951     87.2628     27.488      87.2628     
1 1 1 2  15 45 o 31.6243 4.24029 2.87109      0.614813  1.42177      0.696862  15.5791     150.9       16.9898     330.9       
1 1 1 2  15 46 o 20.6375 4.43553 1.17121      0.557533  0.691581     0.489276  14.4969     281.587     3.50506     281.587     
1 1 1 2  15 47 o 21.5775 4.65734 0.835214     0.578828  1.26189      0.577109  5.34878     91.5737     20.7411     271.574     
1 1 1 2  15 48 o 26.1738 4.42436 1.42796      0.616917  1.67961      0.571283  14.2551     301.252     10.0084     121.252     
1 1 1 2  15 49 o 39.4267 3.386   2.92259      0.662138  3.58386      0.688921  31.1815     48.7088     3.03656     48.7089     
1 1 1 2  15 50 o 44.3032 3.56885 4.20173      0.802704  4.21075      0.807265  33.0384     298.608     0.545374    118.608     
1 1 1 2  15 51 o 19.2068 4.95052 0.383943     0.791616  1.29589      0.634286  9.2522      243.981     3.84704     243.981     
1 1 1 2  15 52 o 15.7769 4.40016 0.741547     0.540859  0.287103     0.548707  6.58035     345.923     1.79013     165.923     
1 1 1 2  15 53 o 13.7528 4.08294 0.785568     0.566945  -0.851599    0.610648  2.87837     297.562     3.95869     117.562     
1 1 1 2  15 54 o 14.0705 4.21056 0.24192      0.543906  0.425339     0.522319  1.93528     162.968     3.04461     342.968     
1 1 1 2  15 55 o 10.8369 3.60624 -0.57947     0.511796  0.00553915   0.540811  1.39498     156.959     10.7716     156.959     
1 1 1 2  15 56 o 12.0548 3.92934 0.241877     0.593131  -0.380563    0.56329   1.23946     143.277     5.09996     323.277     
1 1 1 2  15 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  16 0  o 103     2.00495 19.4981      1.06863   19.4981      1.06863   100.478     1.02256e-05 15.2951     1.02256e-05 
1 1 1 2  16 1  o 241.687 2.12282 107.153      2.65902   107.225      2.65994   224.633     298.241     18.1108     298.241     
1 1 1 2  16 2  o 144.89  1.99864 39.0231      1.50202   38.0158      1.49997   129.073     182.532     6.2304      182.532     
1 1 1 2  16 3  o 153.35  2.00473 43.8042      1.59537   42.496       1.59155   127.494     58.8806     13.9208     238.881     
1 1 1 2  16 4  o 145.377 1.99886 39.3976      1.50623   38.1632      1.50606   107.646     32.0547     39.9734     212.055     
1 1 1 2  16 5  o 62.008  2.06914 7.46632      0.664363  6.68705      0.660662  27.244      3.11637     40.6294     183.116     
1 1 1 2  16 6  o 208.59  2.13045 78.5106      2.22579   81.2005      2.38079   152.116     312.84      67.5828     132.84      
1 1 1 2  16 7  o 149.887 2.21709 40.785       1.64584   41.6906      1.79748   106.62      168.544     50.4715     348.544     
1 1 1 2  16 8  o 62.3574 2.35503 7.13027      0.721006  7.18832      0.794367  35.6272     102.381     20.3037     282.381     
1 1 1 2  16 9  o 312.343 2.43038 175.631      3.91148   182.696      3.958     344.87      2.3971      132.368     2.3971      
1 1 1 2  16 10 o 128.959 1.99433 31.1795      1.3337    29.868       1.33216   145.465     27.7998     73.6626     27.7998     
1 1 1 2  16 11 o 165.814 2.0416  51.7437      1.75648   49.1992      1.75235   166.331     119.776     43.2586     119.776     
1 1 1 2  16 12 o 120.973 2.13445 26.8256      1.33825   26.9049      1.33866   89.294      10.9316     29.7222     190.932     
1 1 1 2  16 13 o 65.1594 2.18121 8.06366      0.709841  7.56555      0.756532  34.6044     41.0535     30.9096     221.054     
1 1 1 2  16 14 o 136.717 2.04581 34.3422      1.45028   34.2814      1.44939   124.476     247.98      13.7049     247.98      
1 1 1 2  16 15 o 151.115 2.05843 40.3101      1.60572   43.5659      1.61772   143.862     334.031     26.6146     334.031     
1 1 1 2  16 16 f 49.9146 2.37605 4.61522      0.60968   4.57933      0.612675  57.8029     148.944     0           0           
1 1 1 2  16 17 o 165.295 2.2106  48.999       1.89023   51.369       1.89732   120.06      232.893     48.2352     52.8929     
1 1 1 2  16 18 o 127.355 2.09168 28.6353      1.37419   30.95        1.38636   91.057      275.969     37.1817     95.9686     
1 1 1 2  16 19 o 78.7664 2.30114 11.4671      0.935747  11.366       0.939254  53.2868     74.2855     22.4823     254.286     
1 1 1 2  16 20 o 106.022 2.44668 19.8974      1.33758   21.4786      1.34692   73.5909     332.487     33.2445     152.487     
1 1 1 2  16 21 o 62.9947 2.4023  6.76639      0.777701  7.8847       0.782113  55.5226     222.516     24.7882     222.516     
1 1 1 2  16 22 o 92.5551 2.2316  14.9737      1.02838   16.5673      1.11031   78.8466     306.132     4.48745     306.132     
1 1 1 2  16 23 o 89.7544 2.1736  14.6975      1.00688   14.9465      1.01266   68.0691     116.019     12.2985     296.019     
1 1 1 2  16 24 o 63.947  2.3139  6.82971      0.758665  8.28506      0.765268  46.5158     168.354     4.17136     348.354     
1 1 1 2  16 25 o 65.4578 2.31433 8.20869      0.784012  7.6029       0.780762  48.1975     304.427     3.46881     124.427     
1 1 1 2  16 26 o 12.1705 3.48698 -0.0124968   0.344386  0.212231     0.349936  18.7975     223.967     42.1094     223.967     
1 1 1 2  16 27 o 37.1825 3.06048 2.57555      0.576     2.60463      0.581726  14.2952     262.423     20.3219     82.4232     
1 1 1 2  16 28 o 128.567 2.2753  30.094       1.5695    30.8674      1.45801   135.265     255.188     53.7009     255.188     
1 1 1 2  16 29 o 21.459  3.93469 0.921834     0.443686  0.864029     0.439108  1.81371     41.0618     28.2372     41.0618     
1 1 1 2  16 30 f 85.6589 2.41717 14.5415      1.0775    12.6613      1.06179   98.3819     285.123     0           0           
1 1 1 2  16 31 o 34.187  2.91097 2.13843      0.502343  2.26827      0.508398  23.7613     70.2054     8.55339     70.2054     
1 1 1 2  16 32 o 20.1571 3.88542 0.812091     0.406167  0.770393     0.42846   0.518348    148.55      18.0563     328.551     
1 1 1 2  16 33 o 108.174 2.39019 22.7635      1.34085   20.739       1.33439   104.549     214.946     29.5143     214.946     
1 1 1 2  16 34 o 42.8428 3.22141 3.08184      0.696144  3.92338      0.703835  39.2831     61.8704     13.6647     61.8704     
1 1 1 2  16 35 o 24.3028 3.69991 1.88543      0.462679  0.50345      0.49101   8.21632     213.188     18.3477     33.1875     
1 1 1 2  16 36 o 59.4758 2.48858 7.36733      0.765808  5.9491       0.755713  55.932      68.9388     15.9893     68.9388     
1 1 1 2  16 37 o 27.887  3.49447 1.40796      0.484297  1.64932      0.487809  6.22262     359.876     30.8497     179.876     
1 1 1 2  16 38 o 41.5151 2.80351 3.13673      0.594524  3.42829      0.596441  33.6979     182.901     1.78396     182.901     
1 1 1 2  16 39 o 47.0444 2.83601 4.19091      0.685193  4.25497      0.684764  41.4534     110.857     8.43117     110.857     
1 1 1 2  16 40 o 14.0802 3.94182 0.289514     0.429491  0.211421     0.42534   2.8004      154.939     6.06032     334.939     
1 1 1 2  16 41 o 17.9698 4.28751 0.781617     0.443431  0.416165     0.540043  8.67691     51.8057     1.23318     231.806     
1 1 1 2  16 42 o 24.4191 4.049   0.861303     0.527987  1.63049      0.502915  18.806      285.818     4.95166     285.818     
1 1 1 2  16 43 o 17.6934 4.36174 0.66818      0.515036  0.558461     0.467468  5.68882     48.3565     11.6982     228.356     
1 1 1 2  16 44 o 45.5723 3.12144 5.14769      0.751473  3.16064      0.681698  37.6163     299.272     4.7293      299.272     
1 1 1 2  16 45 o 42.7002 3.28185 3.88677      0.723393  3.43896      0.704602  30.2328     194.699     5.39895     14.6993     
1 1 1 2  16 46 o 37.9135 3.48066 3.1076       0.691264  2.80276      0.64482   26.2991     44.1398     5.20793     224.14      
1 1 1 2  16 47 o 24.6387 4.34391 0.759834     0.564656  2.05498      0.613487  7.6459      128.594     21.1922     308.594     
1 1 1 2  16 48 o 15.3791 4.24967 0.813981     0.537018  -0.244185    0.574381  6.18921     116.397     4.67239     296.397     
1 1 1 2  16 49 o 11.6293 3.71458 -0.420218    0.460824  0.18296      0.512868  0.493312    21.3231     8.38863     201.323     
1 1 1 2  16 50 o 17.6782 4.0589  -0.588209    0.520236  1.60397      0.619457  7.67213     67.164      2.58067     67.164      
1 1 1 2  16 51 o 12.7933 4.00749 0.3854       0.573071  -0.272949    0.502225  2.48359     33.7524     3.94966     213.752     
1 1 1 2  16 52 o 14.2945 4.18179 0.629707     0.533183  0.0370205    0.515122  3.16353     141.897     2.26389     321.897     
1 1 1 2  16 53 o 19.6799 4.95702 1.11785      0.637111  1.03173      0.637699  9.55914     328.7       2.74232     148.7       
1 1 1 2  16 54 o 34.3409 4.29284 3.31077      0.704686  2.46011      0.748333  28.6486     321.438     9.91332     321.438     
1 1 1 2  16 55 o 17.1561 4.71284 0.823055     0.609161  0.788939     0.591927  5.37178     93.886      9.85133     273.886     
1 1 1 2  16 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  17 0  o 22.1902 3.37767 1.01951      0.340946  1.01951      0.340946  23.4715     3.54173e-05 61.1029     3.54173e-05 
1 1 1 2  17 1  f 180.201 2.03833 60.2801      1.90527   58.9198      1.90254   153.281     178.51      0           0           
1 1 1 2  17 2  o 160.828 2.01584 47.5146      1.68008   47.4283      1.681     143.298     1.68589     5.50849     1.6859      
1 1 1 2  17 3  o 85.5514 2.03493 13.2095      0.898898  13.6893      0.903221  77.6747     48.4023     21.1227     48.4023     
1 1 1 2  17 4  o 144.501 2.00688 39.4247      1.50431   37.2364      1.5013    118.941     190.055     13.4318     10.0549     
1 1 1 2  17 5  o 122.451 2.06171 28.3586      1.26544   26.7151      1.34611   87.6702     81.8887     35.7584     261.889     
1 1 1 2  17 6  o 88.3838 2.14472 15.1563      0.980784  13.5801      0.979305  89.0264     7.92085     44.8134     7.92085     
1 1 1 2  17 7  o 31.0054 2.74398 2.14111      0.422364  1.47872      0.425637  17.648      293.08      66.3818     293.08      
1 1 1 2  17 8  o 69.3354 2.0619  9.08378      0.740691  8.60014      0.737769  36.9053     63.3531     35.4598     243.353     
1 1 1 2  17 9  o 113.249 2.09012 23.1576      1.17481   23.9674      1.2764    127.075     351.628     70.0902     351.628     
1 1 1 2  17 10 o 188.165 2.06463 64.9118      2.013     65.083       2.01456   124.088     66.5132     82.4775     246.513     
1 1 1 2  17 11 o 68.7459 2.24306 8.39181      0.794803  9.00796      0.798881  54.9934     211.796     20.5164     211.796     
1 1 1 2  17 12 o 137.81  2.18873 34.5761      1.56449   35.1727      1.56244   111.146     172.099     15.3191     352.099     
1 1 1 2  17 13 o 135.528 2.06026 34.1378      1.44796   33.3091      1.44666   105.321     148.559     22.9584     328.559     
1 1 1 2  17 14 o 302.611 2.29037 165.364      3.58695   171.059      3.59784   296.973     213.202     61.4842     213.202     
1 1 1 2  17 15 o 33.454  2.72525 1.91505      0.458934  2.26173      0.466629  1.7193      234.915     34.6748     234.915     
1 1 1 2  17 16 o 179.093 2.22714 58.6731      2.06548   59.1527      2.06962   166.891     301.938     22.9228     301.938     
1 1 1 2  17 17 o 135.909 2.09114 33.0385      1.46735   34.8155      1.47857   108.275     349.566     17.2609     169.566     
1 1 1 2  17 18 o 21.0755 3.50788 1.1248       0.381108  0.586964     0.387334  12.6926     57.5665     37.8751     57.5665     
1 1 1 2  17 19 o 69.4284 2.45946 8.79955      0.920747  8.96969      0.841131  48.7162     57.2788     13.125      237.279     
1 1 1 2  17 20 o 19.5524 3.81134 0.740307     0.397811  0.715602     0.39967   2.51326     48.4981     7.00121     48.4981     
1 1 1 2  17 21 o 82.0268 2.3426  11.1008      0.983813  13.7541      0.996761  26.0217     337.742     84.816      157.742     
1 1 1 2  17 22 o 55.1819 2.41506 5.31183      0.66205   5.94487      0.713075  16.817      278.785     51.9034     98.7851     
1 1 1 2  17 23 o 107.491 2.14616 20.1872      1.18821   22.3724      1.19917   97.8647     68.0031     17.49       68.0031     
1 1 1 2  17 24 o 59.5359 2.34045 6.64828      0.718621  6.44477      0.720102  51.0886     270.117     16.675      270.117     
1 1 1 2  17 25 o 33.5456 2.93471 2.28122      0.498313  1.9465       0.497521  7.56481     27.9844     28.3479     207.984     
1 1 1 2  17 26 o 101.199 2.19051 19.8614      1.15179   17.9378      1.14187   71.5358     110.93      27.2518     290.93      
1 1 1 2  17 27 o 46.4034 2.77636 3.72505      0.655644  4.31215      0.665123  17.4471     11.6545     39.8064     191.655     
1 1 1 2  17 28 f 10.8662 3.2767  0.219101     0.361198  -0.536614    0.361511  4.76339     293.793     0           0           
1 1 1 2  17 29 o 47.8255 2.69136 4.02616      0.660863  4.51746      0.660647  31.2029     246.966     13.1714     66.9655     
1 1 1 2  17 30 o 26.6644 3.55256 1.18278      0.464586  1.57896      0.480093  9.50345     284.886     0.448861    104.886     
1 1 1 2  17 31 o 73.8003 2.37878 9.51205      0.876419  10.7531      0.938995  72.6287     248.426     25.3458     248.426     
1 1 1 2  17 32 o 10.9377 3.34495 0.0155184    0.337653  -0.0832582   0.360541  8.39935     285.658     23.3893     285.658     
1 1 1 2  17 33 o 53.9125 2.6704  5.64157      0.744115  5.27838      0.738489  38.7051     189.256     9.54807     9.25573     
1 1 1 2  17 34 o 79.8315 2.49852 12.2884      1.04219   11.5861      1.02037   70.6239     179.278     10.5855     179.278     
1 1 1 2  17 35 o 27.4779 3.84823 1.12017      0.520104  1.91941      0.536246  13.9536     55.9182     13.2349     235.918     
1 1 1 2  17 36 o 17.1553 4.05232 0.66962      0.412574  0.407464     0.449469  4.51325     325.603     33.8171     325.603     
1 1 1 2  17 37 o 16.3764 4.08137 0.358257     0.40052   0.599619     0.465264  2.48523     325.723     16.4424     145.723     
1 1 1 2  17 38 o 35.7074 3.59936 1.95154      0.648083  3.1315       0.59889   38.627      86.3772     26.9437     86.3772     
1 1 1 2  17 39 o 52.3868 2.9502  5.05694      0.822137  5.50247      0.760916  48.3382     304.133     14.0104     304.133     
1 1 1 2  17 40 o 20.86   4.19398 0.887625     0.484669  0.91176      0.465502  9.19579     30.9709     10.6409     210.971     
1 1 1 2  17 41 o 48.0472 2.75776 4.62949      0.685938  4.26765      0.675374  40.8939     233.865     6.88376     233.865     
1 1 1 2  17 42 o 55.1025 2.71995 6.63105      0.783082  5.12043      0.753656  47.3732     25.0547     8.57065     25.0547     
1 1 1 2  17 43 o 22.424  4.40755 1.49698      0.596478  0.713851     0.493824  12.5018     351.174     6.55144     171.174     
1 1 1 2  17 44 o 25.2832 4.42082 1.49042      0.579431  1.31815      0.573899  16.5457     247.262     3.33002     67.262      
1 1 1 2  17 45 o 49.9428 3.26082 4.91574      0.7951    5.18651      0.873591  44.2004     325.86      11.7312     325.86      
1 1 1 2  17 46 o 21.5463 4.22196 0.643032     0.50604   1.45755      0.522371  9.99758     207.958     10.7331     27.9584     
1 1 1 2  17 47 o 27.7189 4.12285 1.23541      0.564154  2.26213      0.592533  21.4982     175.75      3.64739     175.75      
1 1 1 2  17 48 o 16.9046 4.52533 0.846724     0.565868  0.373054     0.548325  7.64651     171.061     1.54718     351.061     
1 1 1 2  17 49 o 13.5352 4.07696 0.0842035    0.497697  0.353563     0.514418  3.15554     61.6675     5.45503     241.668     
1 1 1 2  17 50 o 14.2259 4.31889 0.482816     0.569976  0.0130151    0.602853  3.19716     285.006     0.918332    105.006     
1 1 1 2  17 51 o 7.61346 2.69879 -1.24135     0.44816   -0.935077    0.461461  2.02243     313.777     6.23174     313.777     
1 1 1 2  17 52 o 17.6312 4.35414 1.28346      0.567325  0.181749     0.530774  7.05105     331.332     3.31546     151.332     
1 1 1 2  17 53 o 9.26718 3.19563 -0.272652    0.513978  -1.07654     0.478979  2.11668     1.05418     8.8941      1.05418     
1 1 1 2  17 54 o 11.6798 3.83764 0.0752006    0.552405  -0.344814    0.582836  0.825609    178.076     4.82791     358.077     
1 1 1 2  17 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  18 0  o 286.678 2.22702 150.821      3.30849   150.821      3.30849   288.609     180         67.5001     180         
1 1 1 2  18 1  o 72.7268 2.09755 9.69291      0.789931  9.76012      0.788231  57.1948     10.4061     5.65712     10.4061     
1 1 1 2  18 2  o 120.457 2.02183 26.9768      1.26267   26.2964      1.26205   106.891     180.892     9.65432     180.892     
1 1 1 2  18 3  o 27.6806 2.77722 1.58458      0.385707  1.29571      0.385438  8.79076     187.112     31.6315     187.112     
1 1 1 2  18 4  o 153.661 2.10922 41.5956      1.62154   45.1413      1.73915   159.125     297.524     54.3338     297.524     
1 1 1 2  18 5  o 35.8809 2.63838 2.29215      0.481287  2.49293      0.485224  8.7273      121.468     58.9948     121.468     
1 1 1 2  18 6  o 215.943 2.24572 85.4918      2.50902   85.783       2.51852   184.759     337.705     8.87499     157.705     
1 1 1 2  18 7  o 39.1028 2.37592 3.41616      0.47091   2.29866      0.467618  18.5932     111.005     93.0819     111.005     
1 1 1 2  18 8  o 163.001 2.05044 48.334       1.73079   49.2262      1.7341    145.398     356.542     8.45488     356.542     
1 1 1 2  18 9  f 151.821 2.05553 42.5888      1.61587   42.0487      1.61938   119.135     243.817     0           0           
1 1 1 2  18 10 o 57.1739 2.24168 5.86885      0.680102  6.17719      0.641432  37.6162     318.756     12.5153     318.756     
1 1 1 2  18 11 o 159.618 2.21527 47.2737      1.83427   46.3142      1.83142   149.867     91.9548     24.266      91.9548     
1 1 1 2  18 12 o 48.5254 2.27287 4.79561      0.570131  3.91544      0.562863  20.3503     331.03      27.452      151.03      
1 1 1 2  18 13 o 108.737 2.05747 21.2576      1.15766   22.2021      1.15926   72.2285     74.6747     40.6244     254.675     
1 1 1 2  18 14 o 96.3277 2.14673 17.621       1.09755   16.5085      1.04382   91.1536     61.5547     22.9422     61.5547     
1 1 1 2  18 15 o 222.738 2.27939 92.2442      2.63323   90.0883      2.63002   209.278     82.7194     32.0106     82.7194     
1 1 1 2  18 16 o 247.85  2.21272 115.872      2.84527   109.924      2.83902   230.199     46.5171     30.345      46.5171     
1 1 1 2  18 17 o 59.8822 2.23569 6.812        0.691343  6.40824      0.69117   38.4969     213.556     13.8673     33.5557     
1 1 1 2  18 18 o 123.794 2.24098 28.6925      1.4395    27.6901      1.43395   110.7       316.412     12.7974     316.412     
1 1 1 2  18 19 o 60.088  2.45704 6.55495      0.810496  6.77695      0.707904  45.3799     8.95276     5.20166     8.95275     
1 1 1 2  18 20 o 72.224  2.36258 10.0314      0.888395  9.21537      0.875107  29.1224     51.9622     59.1575     231.962     
1 1 1 2  18 21 o 30.6622 3.18312 1.91764      0.499991  1.63436      0.48059   0.0243482   274.271     30.1783     274.271     
1 1 1 2  18 22 o 168.653 2.15922 53.2945      1.88475   51.4112      1.89      155.187     331.694     23.5693     331.694     
1 1 1 2  18 23 o 154.02  2.14015 44.0681      1.70888   43.2923      1.70832   161.071     257.889     61.577      257.889     
1 1 1 2  18 24 o 33.5497 2.87043 1.95323      0.488193  2.2774       0.486927  2.62849     320.924     45.6214     140.925     
1 1 1 2  18 25 o 89.3282 2.20007 15.1251      1.01655   14.351       1.01722   98.2035     97.0618     49.2604     97.0618     
1 1 1 2  18 26 o 63.9814 2.3062  7.46877      0.761341  7.69364      0.763227  50.1664     42.3821     3.81955     222.382     
1 1 1 2  18 27 o 55.1663 2.50111 5.64973      0.682067  5.66688      0.739629  33.9698     272.989     21.1225     92.9889     
1 1 1 2  18 28 o 61.256  2.52478 7.07292      0.798805  6.89177      0.797521  40.3244     2.0427      18.8339     182.043     
1 1 1 2  18 29 o 67.3375 2.52175 8.87084      0.8859    8.02875      0.867382  60.7591     188.236     12.5839     188.236     
1 1 1 2  18 30 o 92.6378 2.41282 17.3388      1.15768   14.6563      1.14986   85.3867     317.992     18.199      317.992     
1 1 1 2  18 31 o 35.1615 3.086   2.68257      0.541679  2.05256      0.548043  22.4121     169.831     8.7074      349.831     
1 1 1 2  18 32 o 19.8256 4.17091 0.546635     0.421021  1.01237      0.512394  3.36589     256.78      19.3165     76.7803     
1 1 1 2  18 33 o 29.2311 3.66559 1.23578      0.489122  2.18747      0.578253  15.601      232.454     12.9164     52.4537     
1 1 1 2  18 34 o 10.7814 3.30316 -0.706833    0.433563  0.190828     0.347352  4.81523     341.838     19.5757     341.838     
1 1 1 2  18 35 o 44.1796 3.14159 3.44961      0.732221  4.0517       0.675218  21.6664     189.808     27.3705     9.80846     
1 1 1 2  18 36 o 38.4206 3.08471 2.39774      0.57097   3.33165      0.630223  27.4776     306.81      5.15829     126.81      
1 1 1 2  18 37 o 14.4664 3.91894 0.394128     0.414552  0.2133       0.413662  2.32704     55.1237     11.118      235.124     
1 1 1 2  18 38 f 66.6774 2.7614  8.57642      0.938866  8.41508      0.961136  34.8354     44.1154     0           0           
1 1 1 2  18 39 o 22.7909 4.33883 1.51669      0.591579  0.698167     0.486239  7.58109     238.918     18.018      58.9181     
1 1 1 2  18 40 o 10.015  3.23928 -0.383711    0.368832  -0.0725996   0.39254   1.3795      283.73      7.96312     283.73      
1 1 1 2  18 41 o 71.8984 2.533   10.3902      0.945331  9.42751      0.935409  65.3744     172.229     17.7299     172.229     
1 1 1 2  18 42 o 45.7653 3.05843 3.72675      0.679492  4.57025      0.754281  40.3857     341.869     10.4698     341.869     
1 1 1 2  18 43 o 19.2499 4.08603 0.364928     0.465359  1.19357      0.486988  6.44876     249.128     3.83837     249.128     
1 1 1 2  18 44 f 23.5149 4.33279 1.11372      0.547511  1.36079      0.524693  13.2271     255.553     0           0           
1 1 1 2  18 45 o 14.4103 4.04571 0.668138     0.502063  -0.184526    0.483446  5.00194     255.56      0.476811    75.5595     
1 1 1 2  18 46 o 29.3908 3.98289 1.7283       0.580951  2.09939      0.587388  17.3368     206.834     8.26266     26.8343     
1 1 1 2  18 47 o 27.486  4.1959  1.87452      0.578985  1.59845      0.582373  24.5927     78.5414     14.3393     78.5414     
1 1 1 2  18 48 o 14.8835 3.86205 1.07859      0.534123  -0.880688    0.507333  5.18622     225.756     4.53898     45.7556     
1 1 1 2  18 49 o 17.5158 4.69699 1.20144      0.666997  0.255767     0.565848  8.70771     332.613     1.8196      152.613     
1 1 1 2  18 50 o 16.0601 4.32341 0.941761     0.524536  0.0439512    0.591281  4.12438     0.535649    0.20444     180.536     
1 1 1 2  18 51 o 25.7496 4.76096 1.32582      0.655744  2.18842      0.666227  16.1255     318.246     1.50948     138.246     
1 1 1 2  18 52 o 13.7426 3.85617 0.928279     0.527181  -0.846619    0.505327  2.53941     340.472     3.73481     160.472     
1 1 1 2  18 53 o 17.5294 4.76015 0.803733     0.62377   0.898513     0.594777  5.16276     29.2242     1.64294     29.2242     
1 1 1 2  18 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  19 0  o 5.74788 2.75868 -0.133605    0.247074  -0.133605    0.247074  1.02383     180         2.08386     180         
1 1 1 2  19 1  o 115.271 2.05377 24.9492      1.22767   23.8655      1.2252    109.703     324.117     25.5235     324.117     
1 1 1 2  19 2  o 95.6101 2.1524  17.3715      1.02878   16.2456      1.09758   91.0105     56.3968     25.4975     56.3968     
1 1 1 2  19 3  o 74.3393 2.27579 10.2569      0.872627  10.0833      0.877051  41.7574     301.653     37.6597     121.653     
1 1 1 2  19 4  o 209.904 2.24834 82.482       2.44558   79.3893      2.44637   205.021     51.5324     45.3394     51.5324     
1 1 1 2  19 5  o 82.5081 2.15986 11.6666      0.941214  13.4021      0.895898  82.0664     200.297     35.366      200.297     
1 1 1 2  19 6  o 151.811 2.04505 42.7761      1.61035   41.8615      1.60815   152.097     295.84      43.9617     295.84      
1 1 1 2  19 7  o 146.44  2.04154 38.1868      1.54595   40.5858      1.55257   129.617     209.976     7.74804     209.976     
1 1 1 2  19 8  o 120.192 2.03853 26.7149      1.26934   26.3404      1.27072   89.14       216.752     26.827      36.7518     
1 1 1 2  19 9  o 124.276 2.04514 27.0427      1.31357   29.7136      1.31943   75.2777     189.682     62.4216     9.68216     
1 1 1 2  19 10 o 128.456 2.17492 30.4933      1.44662   30.1334      1.44972   93.8903     284.478     31.7552     104.478     
1 1 1 2  19 11 o 85.2569 2.1548  13.1242      0.918359  13.6195      0.982994  67.5781     13.3344     4.47401     193.334     
1 1 1 2  19 12 o 162.739 2.057   49.7767      1.73871   47.5335      1.73121   152.531     119.04      26.3818     119.04      
1 1 1 2  19 13 o 230.516 2.24566 97.3026      2.75702   98.024       2.60696   208.682     114.846     19.3702     114.846     
1 1 1 2  19 14 o 116.12  2.19966 25.8268      1.32565   23.7948      1.31859   88.822      167.439     17.9535     347.439     
1 1 1 2  19 15 o 74.5027 2.21491 10.5564      0.833032  9.89376      0.871473  49.2908     174.19      20.807      354.19      
1 1 1 2  19 16 o 57.1673 2.24525 6.27934      0.66575   5.78304      0.659077  42.3592     0.0483904   12.0849     0.0483904   
1 1 1 2  19 17 o 48.0865 2.49107 4.02745      0.614691  4.54006      0.61684   24.4574     258.59      16.2574     78.5905     
1 1 1 2  19 18 o 14.9371 3.7254  0.303231     0.366375  0.414954     0.354845  10.6804     310.085     25.7514     310.085     
1 1 1 2  19 19 o 55.1299 2.39903 5.44216      0.70235   5.80032      0.659401  46.6472     66.7778     16.7336     66.7778     
1 1 1 2  19 20 o 47.3535 2.6784  4.60697      0.689316  3.7453       0.614864  35.3012     247.571     3.51123     247.571     
1 1 1 2  19 21 o 168.721 2.21997 50.5503      1.87228   54.4082      2.01145   156.913     163.9       27.6281     163.9       
1 1 1 2  19 22 o 104.912 2.15187 20.0445      1.1673    20.5705      1.17058   105.318     273.891     35.3707     273.891     
1 1 1 2  19 23 o 61.6272 2.29923 7.48263      0.735585  6.59343      0.726443  55.7981     287.033     12.7575     287.033     
1 1 1 2  19 24 o 50.4202 2.42305 4.09858      0.618055  5.3912       0.633427  32.3152     69.3818     15.6366     249.382     
1 1 1 2  19 25 o 55.907  2.38219 5.96819      0.686352  5.64397      0.687484  57.3911     239.571     29.0016     239.571     
1 1 1 2  19 26 o 30.3585 3.16462 2.46203      0.474411  1.16594      0.45125   16.3301     302.068     7.30446     122.068     
1 1 1 2  19 27 o 35.2469 2.96648 2.22455      0.498774  2.48042      0.564304  9.95202     229.884     34.524      49.8838     
1 1 1 2  19 28 o 55.9877 2.65901 7.07476      0.7643    4.77408      0.748772  44.4912     45.7397     0.704538    225.739     
1 1 1 2  19 29 o 47.4483 2.74501 3.88061      0.664148  4.60989      0.670589  22.4593     27.4294     31.3162     207.429     
1 1 1 2  19 30 o 48.2905 3.43716 4.41         0.942808  4.52543      0.733516  36.6781     72.6594     3.4472      252.659     
1 1 1 2  19 31 o 62.1901 2.63924 7.12279      0.911034  7.43768      0.77254   58.9845     353.656     17.9237     353.656     
1 1 1 2  19 32 o 77.3329 2.49339 11.7993      1.00318   10.6646      0.989218  72.1767     23.7478     18.831      23.7478     
1 1 1 2  19 33 o 32.2784 3.14803 2.29846      0.513004  1.7462       0.504461  23.2569     24.5042     3.01664     204.504     
1 1 1 2  19 34 o 43.6664 2.8399  3.44264      0.65681   3.83795      0.60818   30.4604     345.414     8.16769     165.414     
1 1 1 2  19 35 o 48.2398 3.04461 4.8441       0.793981  4.1222       0.713326  35.4255     298.148     5.49592     118.148     
1 1 1 2  19 36 o 17.001  4.25891 0.463414     0.434778  0.605195     0.504588  2.52762     170.751     17.6194     350.751     
1 1 1 2  19 37 o 14.7658 4.00442 0.426253     0.417181  0.210916     0.453564  2.65989     294.662     1.60439     114.662     
1 1 1 2  19 38 o 17.4119 4.16873 0.742819     0.459705  0.431004     0.449422  5.70968     61.8015     10.6462     241.802     
1 1 1 2  19 39 o 59.9249 2.58521 7.23186      0.8112    6.53998      0.786679  51.6145     264.709     9.43818     264.709     
1 1 1 2  19 40 o 31.8248 3.5521  1.46592      0.537913  2.73378      0.56407   26.4083     95.8821     5.82818     95.8821     
1 1 1 2  19 41 o 28.8403 3.81359 1.43448      0.543764  2.06261      0.549781  16.8257     205.387     9.30036     25.3874     
1 1 1 2  19 42 o 16.1538 3.9108  -0.0473124   0.453923  0.914049     0.455247  8.20566     244.564     0.510256    64.5645     
1 1 1 2  19 43 o 32.1055 3.61694 2.4348       0.586418  1.91572      0.571937  22.7338     345.254     2.3636      165.253     
1 1 1 2  19 44 o 13.8698 4.03379 0.420358     0.489992  0.0872151    0.45394   1.29913     77.6575     20.6605     77.6575     
1 1 1 2  19 45 o 15.5013 4.26497 0.0845918    0.51684   0.744574     0.523492  5.21143     245.209     6.99339     65.2088     
1 1 1 2  19 46 o 25.0101 4.33761 2.16422      0.588263  0.840836     0.617264  13.0808     280.979     8.97371     100.979     
1 1 1 2  19 47 o 10.1718 3.38381 -0.185945    0.465627  -0.433333    0.452891  0.28182     77.1003     5.76876     77.1003     
1 1 1 2  19 48 o 19.0912 4.85984 0.707192     0.586601  1.20334      0.654956  10.6638     205.038     0.0910236   25.0379     
1 1 1 2  19 49 o 14.1495 4.2934  0.355106     0.603218  0.266347     0.524863  2.29227     324.571     2.4867      144.571     
1 1 1 2  19 50 o 17.4545 4.66568 0.603318     0.553795  0.950455     0.608407  3.38124     262.962     0.459466    262.962     
1 1 1 2  19 51 o 14.4043 4.29325 -0.117301    0.580595  0.736672     0.583618  3.28159     2.81043     3.3474      182.81      
1 1 1 2  19 52 o 17.1066 4.62862 0.689441     0.583081  0.875545     0.569385  6.84676     288.34      5.76867     108.34      
1 1 1 2  19 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  20 0  o 108.524 2.07692 21.6565      1.16643   21.6565      1.16643   52.8189     8.43658e-07 83.5706     180         
1 1 1 2  20 1  o 99.9892 2.15744 19.2412      1.07909   17.5485      1.14854   86.6248     333.836     7.35948     333.836     
1 1 1 2  20 2  o 49.1559 2.5059  5.10414      0.629498  3.87078      0.629034  14.6743     202.286     44.168      22.2864     
1 1 1 2  20 3  o 216.174 2.2537  86.2201      2.52364   85.5356      2.52711   178.302     308.711     16.7044     128.711     
1 1 1 2  20 4  o 32.3206 2.69969 2.00881      0.455777  1.88903      0.431481  1.50111     54.5938     23.8861     234.594     
1 1 1 2  20 5  o 202.366 2.09164 73.6186      2.19008   76.8644      2.19749   167.648     148.235     13.3098     328.235     
1 1 1 2  20 6  o 90.315  2.09873 13.9017      0.974796  16.1437      0.984084  86.1587     108.762     26.7187     108.762     
1 1 1 2  20 7  o 164.618 2.05882 47.4571      1.74807   52.1666      1.76329   169.031     236.689     57.9626     236.689     
1 1 1 2  20 8  o 45.5863 2.31442 3.95582      0.542258  3.72592      0.543807  22.0843     233.072     10.1176     53.0722     
1 1 1 2  20 9  o 99.9171 2.19272 19.0688      1.13574   17.6799      1.13177   51.2149     186.431     65.0499     6.43074     
1 1 1 2  20 10 o 119.909 2.1817  25.8899      1.35562   27.0142      1.35373   103.338     203.959     5.93643     203.959     
1 1 1 2  20 11 o 108.364 2.06034 21.8529      1.15751   21.3455      1.15495   89.1492     200.156     1.62361     20.1562     
1 1 1 2  20 12 o 91.2956 2.15668 16.7463      1.05096   14.0015      0.986039  65.4559     240.969     18.7341     60.9688     
1 1 1 2  20 13 o 52.3303 2.33879 5.36718      0.630814  4.76097      0.629757  35.9256     291.085     4.3613      291.085     
1 1 1 2  20 14 o 78.93   2.19477 12.9534      0.875825  10.0952      0.902275  43.1055     155.019     43.1139     335.019     
1 1 1 2  20 15 o 119.629 2.0743  27.8302      1.28897   24.8825      1.2799    109.361     355.426     18.669      355.426     
1 1 1 2  20 16 o 44.625  2.45515 4.11675      0.550069  3.29158      0.568446  29.821      260.207     0.789055    80.2071     
1 1 1 2  20 17 o 61.7338 2.33307 6.90261      0.74619   7.18734      0.741203  54.9696     289.808     13.3667     289.808     
1 1 1 2  20 18 o 21.756  3.52811 0.795447     0.407024  1.03284      0.374276  0.254944    36.9375     18.2026     216.937     
1 1 1 2  20 19 o 86.4111 2.29052 14.1701      1.03057   13.426       1.01748   79.2716     352.904     15.4907     352.904     
1 1 1 2  20 20 o 18.6232 3.84293 0.754537     0.417828  0.572002     0.371852  13.0547     259.173     49.2947     259.173     
1 1 1 2  20 21 o 46.1303 2.50531 3.88081      0.572624  4.04018      0.616216  28.5531     263.145     15.2261     83.1447     
1 1 1 2  20 22 o 123.926 2.36972 29.2038      1.38199   27.6557      1.6408    136.634     124.574     67.4172     124.574     
1 1 1 2  20 23 o 57.2335 2.44576 6.02051      0.693121  6.1626       0.750679  34.6471     119.464     23.0142     299.464     
1 1 1 2  20 24 o 51.3883 2.54116 5.55354      0.702232  4.33722      0.641225  39.2993     150.93      2.46458     330.93      
1 1 1 2  20 25 o 54.9236 2.5557  6.45432      0.798535  4.86983      0.651082  42.242      302.196     3.1872      122.196     
1 1 1 2  20 26 o 20.5855 3.57411 0.297316     0.430078  1.33936      0.406791  5.80334     210.224     5.74199     30.2236     
1 1 1 2  20 27 o 42.2686 2.61683 3.73843      0.569594  3.00417      0.560592  40.7367     101.212     17.6393     101.212     
1 1 1 2  20 28 o 74.8428 2.40374 10.8863      0.886298  10.0646      0.967391  61.2834     277.376     0.695445    277.376     
1 1 1 2  20 29 o 16.7983 4.29897 0.66438      0.487494  0.236158     0.50493   4.06097     250.193     5.90167     70.1927     
1 1 1 2  20 30 o 20.9286 4.27305 0.594732     0.574887  1.09626      0.451311  9.44496     350.713     9.42755     170.713     
1 1 1 2  20 31 o 10.7393 3.37585 -0.024879    0.386852  -0.214685    0.371162  1.23012     354.601     8.60363     354.601     
1 1 1 2  20 32 o 23.699  3.90573 1.214        0.443699  1.04925      0.500013  17.769      196.148     4.45066     196.148     
1 1 1 2  20 33 o 48.1543 2.73927 4.57473      0.652434  4.26433      0.699764  45.7438     355.94      16.1208     355.94      
1 1 1 2  20 34 o 20.7153 3.91112 1.10354      0.442478  0.65043      0.429535  7.90126     137.761     13.3591     317.761     
1 1 1 2  20 35 o 40.6034 3.13361 3.52294      0.709264  2.91076      0.589808  38.2367     331.809     14.6229     331.809     
1 1 1 2  20 36 o 51.4081 3.14418 5.39922      0.840342  4.90668      0.81824   34.0854     188.272     12.4407     8.27242     
1 1 1 2  20 37 o 78.8923 2.57908 12.6923      1.06108   11.123       1.04021   81.4703     305.513     38.9564     305.513     
1 1 1 2  20 38 o 20.6256 4.28387 1.01562      0.505864  0.792806     0.473256  13.8357     245.706     4.12046     245.706     
1 1 1 2  20 39 o 50.6741 2.79774 4.67975      0.719835  5.34932      0.736531  40.8648     127.273     3.45724     127.273     
1 1 1 2  20 40 o 16.9763 3.5353  1.23786      0.46338   -0.373523    0.426038  9.23765     187.582     1.59489     7.58193     
1 1 1 2  20 41 o 11.9307 3.51308 0.471392     0.435106  -0.661152    0.400589  2.02094     90.5459     2.52115     270.546     
1 1 1 2  20 42 o 40.41   3.14354 3.51174      0.659016  3.15067      0.635604  37.0545     47.6497     13.7175     47.6497     
1 1 1 2  20 43 o 12.5203 3.71308 0.445458     0.44752   -0.361491    0.439425  2.07404     72.4526     7.37549     252.453     
1 1 1 2  20 44 o 11.773  3.57565 0.459416     0.465931  -0.697789    0.420017  0.747623    45.4043     7.21126     225.404     
1 1 1 2  20 45 o 20.865  4.70165 0.965186     0.57321   1.20566      0.578388  12.6285     282.684     0.995922    102.684     
1 1 1 2  20 46 o 15.4868 4.33207 0.353233     0.501169  0.6368       0.536081  4.07404     193.754     0.308358    193.754     
1 1 1 2  20 47 o 9.76507 3.2965  -0.541891    0.452324  -0.271934    0.479999  0.712995    302.001     4.99909     302.001     
1 1 1 2  20 48 o 17.5205 4.76749 0.870554     0.603812  0.685831     0.623294  6.73863     263.909     1.41085     83.9086     
1 1 1 2  20 49 o 17.7563 4.8109  0.795001     0.632784  0.851838     0.608024  7.30384     26.7264     1.63297     206.726     
1 1 1 2  20 50 o 19.5539 4.55331 0.543591     0.585386  1.47642      0.580875  10.4261     25.6477     1.59211     205.648     
1 1 1 2  20 51 o 16.3641 4.44778 1.30344      0.636272  -0.2804      0.619764  6.87326     345.815     0.21235     165.815     
1 1 1 2  20 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  21 0  o 77.2195 2.51739 11.0217      1.00275   11.0217      1.00275   88.4752     180         48.7316     180         
1 1 1 2  21 1  o 116.294 2.3093  24.7471      1.44294   25.0496      1.33566   98.2638     238.562     3.0909      238.563     
1 1 1 2  21 2  o 50.3783 2.48737 4.37373      0.638769  5.02596      0.650429  29.4371     296.55      5.04802     116.55      
1 1 1 2  21 3  o 152.921 2.13178 43.2473      1.74191   42.7469      1.63665   157.637     309.07      58.2728     309.07      
1 1 1 2  21 4  o 82.6759 2.11279 12.021       0.898957  13.1597      0.907936  63.7549     20.4303     5.40322     200.43      
1 1 1 2  21 5  o 112.488 2.05547 23.2668      1.19558   23.2898      1.19947   99.4517     12.1907     12.4102     12.1907     
1 1 1 2  21 6  o 122.238 2.04934 27.627       1.29776   27.3177      1.29925   106.217     251.891     8.22376     251.891     
1 1 1 2  21 7  o 175.632 2.06229 56.8022      1.87648   56.643       1.87855   185.599     62.718      74.3373     62.718      
1 1 1 2  21 8  o 77.2601 2.17089 11.4373      0.901743  10.5695      0.833951  75.4755     139.117     30.9993     139.117     
1 1 1 2  21 9  o 82.2581 2.24654 11.8412      0.95383   13.1208      0.956575  77.056      344.35      22.5125     344.35      
1 1 1 2  21 10 o 46.9551 2.35705 4.52986      0.547795  3.65594      0.582169  32.9785     133.351     5.07374     133.351     
1 1 1 2  21 11 o 21.0663 3.31348 0.889145     0.357822  0.818941     0.347282  10.4877     295.064     40.1179     295.064     
1 1 1 2  21 12 o 68.8612 2.25726 9.47287      0.804625  8.06353      0.79883   70.3027     148.908     33.6584     148.908     
1 1 1 2  21 13 o 214.446 2.20408 85.977       2.37737   83.4943      2.51819   212.925     241.665     62.1391     241.665     
1 1 1 2  21 14 o 127.484 2.06871 29.8238      1.36699   30.0497      1.36711   120.194     229.725     26.1455     229.725     
1 1 1 2  21 15 o 83.0761 2.1081  12.1103      0.899421  13.3785      0.912131  75.901      142.316     14.8313     142.316     
1 1 1 2  21 16 o 107.838 2.46901 21.1974      1.22395   21.83        1.52024   103.339     152.533     27.0736     152.533     
1 1 1 2  21 17 f 51.4414 2.77807 5.55607      0.710428  4.34545      0.745254  40.1408     164.194     0           0           
1 1 1 2  21 18 o 73.9129 2.24784 9.91889      0.885503  10.3053      0.830651  76.8579     126.345     34.7159     126.345     
1 1 1 2  21 19 o 20.6888 3.81988 0.788985     0.448839  0.872237     0.382146  1.32113     258.355     25.3103     258.355     
1 1 1 2  21 20 o 25.1714 3.8438  1.47291      0.565305  1.02149      0.411864  2.9012      96.9456     27.6325     276.946     
1 1 1 2  21 21 o 26.2191 3.27435 1.44715      0.41699   1.20335      0.437303  11.1552     8.98652     61.8041     8.98652     
1 1 1 2  21 22 f 34.9352 2.75726 2.20364      0.488064  2.40142      0.492903  26.4384     310.542     0           0           
1 1 1 2  21 23 o 82.8755 2.20095 12.63        0.942612  12.8843      0.945004  87.1715     161.496     39.8461     161.496     
1 1 1 2  21 24 o 57.3354 2.43579 6.81433      0.751568  5.50628      0.688669  47.9094     264.188     3.99164     264.188     
1 1 1 2  21 25 o 21.0303 3.64685 0.371584     0.451286  1.34982      0.40802   7.39177     13.9261     0.346787    13.9261     
1 1 1 2  21 26 o 11.746  3.39837 0.112766     0.332816  0.102867     0.324809  3.3731      68.4602     14.979      68.4602     
1 1 1 2  21 27 o 44.06   2.66179 3.60587      0.583828  3.73409      0.620294  24.4839     233.777     21.1954     53.7774     
1 1 1 2  21 28 o 36.0194 3.21397 2.88668      0.552333  2.13763      0.597621  33.3313     216.927     12.1057     216.927     
1 1 1 2  21 29 o 84.3329 2.65672 13.8643      1.13558   12.9595      1.17824   71.7867     353.894     7.21797     353.894     
1 1 1 2  21 30 o 55.487  3.0106  5.40047      0.909965  6.38476      0.785125  37.8976     245.479     12.7642     65.4789     
1 1 1 2  21 31 o 12.6791 3.71989 0.137461     0.422201  0.0964273    0.379944  0.961424    54.9184     4.28334     234.918     
1 1 1 2  21 32 o 37.3858 2.90745 2.75913      0.551216  2.63414      0.556597  39.1452     14.5034     23.2979     14.5034     
1 1 1 2  21 33 o 24.2814 3.81467 1.2718       0.472762  1.13298      0.462939  14.506      2.46304     5.58862     182.463     
1 1 1 2  21 34 o 21.9781 3.59975 0.324673     0.437474  1.68179      0.456852  10.8796     135.397     9.0473      315.397     
1 1 1 2  21 35 o 22.3601 3.9087  1.64078      0.503912  0.459692     0.474588  14.9769     66.404      0.407657    66.4041     
1 1 1 2  21 36 o 50.1365 3.10479 5.11272      0.777536  4.75412      0.81642   43.9432     308.096     10.5711     308.096     
1 1 1 2  21 37 o 21.8372 4.35332 0.708498     0.506002  1.36022      0.550469  3.99341     285.742     23.8304     105.742     
1 1 1 2  21 38 o 51.4242 2.7796  5.63518      0.739552  4.73556      0.727164  44.6811     197.334     10.4035     197.334     
1 1 1 2  21 39 o 9.53303 3.06212 -0.899737    0.36527   0.133936     0.369508  0.523951    219.177     6.89619     219.177     
1 1 1 2  21 40 o 15.8281 4.10192 0.717772     0.464979  0.230696     0.449122  8.02709     299.58      0.805977    119.58      
1 1 1 2  21 41 o 18.1888 4.24392 0.956521     0.481038  0.498922     0.476212  8.96007     342.07      5.31905     162.07      
1 1 1 2  21 42 o 27.6715 4.07808 1.83064      0.571617  1.61061      0.560584  21.4205     320.654     4.40827     320.654     
1 1 1 2  21 43 o 16.3501 4.29378 0.347771     0.491628  0.782655     0.503726  6.05116     227.683     6.66069     47.6827     
1 1 1 2  21 44 o 14.6105 4.01731 -0.133649    0.491228  0.757141     0.483097  4.06915     233.198     7.63989     53.1978     
1 1 1 2  21 45 o 18.9257 4.52099 1.33992      0.585268  0.406364     0.553435  8.27961     341.337     7.41424     161.337     
1 1 1 2  21 46 o 13.3733 4.12887 0.0725974    0.519892  0.312524     0.563362  1.61269     131.292     2.68428     311.292     
1 1 1 2  21 47 o 14.3313 4.31456 0.368129     0.613599  0.3248       0.51128   0.802927    272.523     0.839941    92.5228     
1 1 1 2  21 48 o 22.1075 4.8527  1.30152      0.596518  1.36708      0.631881  11.5834     106.76      4.71225     286.76      
1 1 1 2  21 49 o 14.743  4.39099 0.367554     0.549623  0.53696      0.594334  3.63402     229.313     1.53745     49.3132     
1 1 1 2  21 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  22 0  o 31.8761 3.38028 1.99299      0.52151   1.99299      0.52151   7.379       180         34.8349     360         
1 1 1 2  22 1  o 43.9571 2.72936 3.84329      0.6428    3.35473      0.588722  10.8301     56.9246     46.4812     236.925     
1 1 1 2  22 2  o 88.0201 2.20517 14.4771      1.04084   14.0992      0.967725  79.9098     294.266     15.4581     294.266     
1 1 1 2  22 3  o 148.927 2.16505 41.1085      1.72906   40.5862      1.61232   131.196     146.57      11.4359     146.57      
1 1 1 2  22 4  o 131.991 2.06351 31.9203      1.41018   32.2266      1.41346   116.447     274.332     11.1967     274.332     
1 1 1 2  22 5  o 131.314 2.04347 31.7802      1.38928   31.7122      1.39262   99.3885     189.347     22.2269     9.34651     
1 1 1 2  22 6  o 104.429 2.06439 20.5866      1.11584   19.6151      1.11644   80.2109     352.845     14.1175     172.845     
1 1 1 2  22 7  o 32.6701 2.6985  2.50034      0.437546  1.55416      0.435771  18.8925     265.063     1.381       85.063      
1 1 1 2  22 8  o 19.6466 3.47621 0.729581     0.353282  0.761681     0.353048  9.05872     149.995     41.8199     149.995     
1 1 1 2  22 9  o 26.4685 2.95983 1.08256      0.37411   1.59986      0.406088  5.1388      190.4       24.4424     10.3999     
1 1 1 2  22 10 o 57.5226 2.48504 6.27609      0.670521  5.99719      0.795237  32.9231     254.569     27.3517     74.5687     
1 1 1 2  22 11 o 97.2852 2.45568 18.3096      1.09271   16.7302      1.35169   90.7781     323.869     20.4855     323.869     
1 1 1 2  22 12 o 22.4135 3.2756  0.892622     0.334654  1.04731      0.401811  3.76352     350.238     9.62423     170.238     
1 1 1 2  22 13 o 102.307 2.28662 20.3972      1.32079   18.3438      1.10038   85.1566     34.4111     0.574983    34.4108     
1 1 1 2  22 14 o 101.533 2.27188 20.3869      1.30707   17.8019      1.08172   93.6087     139.531     19.4367     139.53      
1 1 1 2  22 15 o 44.0211 2.45428 3.80835      0.556164  3.41731      0.553609  33.8913     335.131     1.39627     335.131     
1 1 1 2  22 16 o 69.1176 2.27213 8.37571      0.805454  9.3539       0.816858  53.6874     62.5449     4.60747     242.545     
1 1 1 2  22 17 o 69.8233 2.22269 9.6684       0.834936  8.43421      0.77018   43.8439     54.0313     26.127      234.031     
1 1 1 2  22 18 o 36.8638 2.72004 3.16869      0.510791  2.00889      0.493174  23.2223     96.5283     15.8706     96.5283     
1 1 1 2  22 19 o 125.339 2.3626  30.5397      1.60522   27.8661      1.4628    105.656     353.351     4.26426     353.351     
1 1 1 2  22 20 o 77.9898 2.43253 11.904       1.02795   10.7831      0.934581  62.8041     164.996     1.45903     344.996     
1 1 1 2  22 21 o 82.1895 2.23022 13.3293      0.922397  11.8259      0.968228  78.2669     295.412     22.9126     295.412     
1 1 1 2  22 22 o 35.4148 2.99725 2.64224      0.496117  2.15083      0.564597  11.6154     256.717     32.2333     76.7166     
1 1 1 2  22 23 o 58.1403 2.41392 6.34979      0.700215  6.31398      0.747354  45.062      55.6328     3.23073     235.633     
1 1 1 2  22 24 o 16.8766 3.4788  0.123821     0.360319  0.907801     0.36812   3.51227     12.3272     1.6298      192.327     
1 1 1 2  22 25 f 32.707  2.95976 2.32918      0.490972  1.78858      0.482431  20.8645     314.495     0           0           
1 1 1 2  22 26 o 9.50031 3.01093 -0.0736331   0.313912  -0.174426    0.299975  2.28251     315.706     9.23381     315.706     
1 1 1 2  22 27 o 26.2855 3.60695 1.4056       0.461021  1.33475      0.485923  16.2974     90.1304     6.05531     270.13      
1 1 1 2  22 28 o 62.5892 2.54453 7.83834      0.824132  6.9769       0.818038  54.0758     37.7625     8.52899     37.7624     
1 1 1 2  22 29 o 41.4887 3.16647 3.48087      0.636216  3.19094      0.697306  38.6808     167.726     13.7587     167.726     
1 1 1 2  22 30 o 35.6791 3.94705 2.65831      0.698968  2.46228      0.711651  28.1469     277.37      2.27403     277.37      
1 1 1 2  22 31 o 8.44442 2.84946 -0.193018    0.37713   -0.686511    0.308139  1.2542      302.974     4.25589     302.974     
1 1 1 2  22 32 o 42.332  2.83482 3.65223      0.615665  3.27518      0.612076  39.8728     351.945     15.4408     351.945     
1 1 1 2  22 33 o 29.5618 3.47945 1.71988      0.517288  1.78906      0.511326  17.7109     255.918     8.53691     75.9185     
1 1 1 2  22 34 o 37.4009 3.2321  2.78614      0.61889   2.75997      0.608306  30.251      105.5       4.09036     105.5       
1 1 1 2  22 35 o 15.4012 3.98458 0.260245     0.427523  0.57355      0.420824  5.96217     32.3308     1.56578     212.331     
1 1 1 2  22 36 o 18.7902 4.43454 0.761299     0.544167  0.736408     0.470738  6.07729     304.964     13.7032     124.964     
1 1 1 2  22 37 f 13.2927 3.98989 0.158115     0.479029  0.122582     0.47772   13.0469     253.284     0           0           
1 1 1 2  22 38 o 19.6393 3.93414 1.39786      0.489016  0.232405     0.473933  12.1033     241.276     1.8811      61.2756     
1 1 1 2  22 39 o 20.0569 4.27413 1.11771      0.497185  0.70295      0.481868  12.443      132.321     6.67291     132.321     
1 1 1 2  22 40 o 13.731  3.93437 0.0639659    0.4519    0.452578     0.44417   3.365       71.975      6.49387     251.975     
1 1 1 2  22 41 o 11.0935 3.50395 -0.348633    0.434477  0.151421     0.418175  0.273615    272.732     2.27512     92.7322     
1 1 1 2  22 42 o 10.8027 3.47656 0.13576      0.452218  -0.507388    0.433313  1.7021      6.64325     13.5683     6.64325     
1 1 1 2  22 43 o 22.3508 4.53463 1.04606      0.562829  1.43856      0.557191  10.8299     262.325     8.68193     82.3251     
1 1 1 2  22 44 o 14.1952 4.08605 0.667434     0.513306  -0.0400328   0.485726  2.87581     237.399     2.11824     57.3988     
1 1 1 2  22 45 o 9.74483 3.3066  -0.486967    0.487651  -0.417845    0.478213  0.881663    35.4067     4.2544      35.4067     
1 1 1 2  22 46 o 10.0994 3.38446 -0.773092    0.495668  -0.0692101   0.479739  1.97562     108.446     9.88795     108.446     
1 1 1 2  22 47 o 12.6838 3.99079 0.401515     0.557943  -0.254392    0.528159  0.566184    346.061     1.07792     166.061     
1 1 1 2  22 48 f 14.9842 4.29524 0.843613     0.565435  0.0646788    0.531061  9.81722     259.577     0           0           
1 1 1 2  22 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  23 0  o 50.8673 2.50628 4.83223      0.653344  4.83223      0.653344  38.6589     180         8.4211      360         
1 1 1 2  23 1  o 15.9368 3.59989 0.454038     0.337027  0.476868     0.334452  4.24085     81.2235     17.5474     81.2235     
1 1 1 2  23 2  o 14.3683 3.43789 -0.14848     0.301245  0.726678     0.403517  7.22569     119.18      23.2902     119.18      
1 1 1 2  23 3  o 65.0646 2.62788 7.58797      0.788527  8.14501      0.972326  51.7103     288.246     1.5567      108.246     
1 1 1 2  23 4  o 106.98  2.16672 22.1317      1.24131   20.1752      1.15974   98.0273     293.854     18.9116     293.854     
1 1 1 2  23 5  o 97.5677 2.19304 15.7514      1.12775   19.5375      1.0707    88.403      346.472     15.8817     346.472     
1 1 1 2  23 6  o 79.4485 2.33869 12.0988      1.04596   11.2864      0.873226  49.0228     276.378     32.6647     96.3783     
1 1 1 2  23 7  o 31.9824 3.24172 1.95264      0.60114   1.93301      0.42563   15.6381     95.186      13.0677     275.186     
1 1 1 2  23 8  o 56.6575 2.33739 5.66965      0.679892  6.2515       0.686064  53.3212     298.196     18.4967     298.196     
1 1 1 2  23 9  o 185.728 2.20464 64.417       2.12275   63.0988      2.12207   168.692     226.277     27.4819     226.277     
1 1 1 2  23 10 o 86.2971 2.30758 13.3991      0.977802  14.2082      1.08266   79.6532     320.492     18.5145     320.492     
1 1 1 2  23 11 o 28.3958 2.94338 1.66405      0.381879  1.40518      0.446927  12.0698     154.812     13.1332     334.812     
1 1 1 2  23 12 o 88.4312 2.18598 13.8269      0.958269  15.1611      1.04323   62.7973     247.923     19.5695     67.9228     
1 1 1 2  23 13 o 10.427  2.993   0.078483     0.248368  0.0933169    0.2569    7.80064     36.5159     20.0875     36.5159     
1 1 1 2  23 14 o 52.0453 2.51989 4.77196      0.636888  5.35139      0.715092  42.0557     91.8136     2.28042     91.8136     
1 1 1 2  23 15 o 23.4009 3.1887  1.03938      0.364562  1.08202      0.381004  9.69528     333.164     4.34132     153.164     
1 1 1 2  23 16 o 15.4896 3.41306 0.332479     0.312175  0.558948     0.30579   1.1256      161.335     13.6636     161.335     
1 1 1 2  23 17 o 93.7592 2.27594 15.43        1.09964   17.3088      1.10689   75.6493     96.4781     1.98721     276.478     
1 1 1 2  23 18 o 25.4853 3.17105 1.62262      0.407835  0.934624     0.390102  14.6151     167.98      5.19475     347.98      
1 1 1 2  23 19 o 43.4747 2.55132 3.32845      0.572965  3.79228      0.563688  37.0194     117.126     6.559       117.126     
1 1 1 2  23 20 o 94.8404 2.2204  16.3521      1.05856   17.1949      1.12173   79.4643     14.5909     4.62571     14.5908     
1 1 1 2  23 21 o 39.5954 2.63616 3.30665      0.522388  2.64266      0.538433  33.6671     171.339     6.26886     171.339     
1 1 1 2  23 22 o 35.7364 2.74421 2.6985       0.500907  2.17146      0.494496  33.8183     4.42354     14.0268     4.42354     
1 1 1 2  23 23 o 41.9098 2.57457 3.32973      0.550412  3.31081      0.557064  34.5451     62.5952     3.58917     62.5953     
1 1 1 2  23 24 o 56.0361 2.37628 5.99171      0.688742  5.81074      0.685304  46.0354     345.819     3.00727     345.819     
1 1 1 2  23 25 o 11.7068 3.32409 0.30233      0.335499  -0.0998913   0.309292  0.237765    203.589     8.32129     203.589     
1 1 1 2  23 26 o 39.2777 2.87218 3.38412      0.551826  2.56243      0.583597  38.3131     121.257     17.2466     121.257     
1 1 1 2  23 27 o 36.0576 3.17328 2.97766      0.575258  2.11895      0.569293  34.4094     27.9864     15.2694     27.9864     
1 1 1 2  23 28 o 10.1997 3.20494 -0.113305    0.343972  -0.0703742   0.335368  1.59056     102.252     8.90154     102.252     
1 1 1 2  23 29 o 23.1421 3.98354 0.46789      0.476852  1.80125      0.550059  4.35292     14.1645     25.3269     194.164     
1 1 1 2  23 30 o 32.3931 3.85824 2.06274      0.565232  2.19993      0.681627  16.5666     338.438     15.8077     158.438     
1 1 1 2  23 31 o 51.0309 2.9734  5.16663      0.808665  4.95633      0.750183  43.7452     25.17       8.79099     25.17       
1 1 1 2  23 32 o 17.39   4.01648 0.429677     0.415936  0.782233     0.433539  1.37461     170.931     0.523603    170.931     
1 1 1 2  23 33 o 44.4597 2.98092 4.32624      0.679945  3.47036      0.670645  29.768      133.136     8.61634     313.136     
1 1 1 2  23 34 o 25.1571 4.02545 1.23058      0.505822  1.47768      0.520738  21.1804     150.963     8.44281     150.963     
1 1 1 2  23 35 o 18.9367 4.29854 0.877859     0.483443  0.676413     0.47792   9.92847     85.4804     5.13358     265.48      
1 1 1 2  23 36 o 40.0761 3.16999 3.77774      0.659413  2.78089      0.625103  33.9433     170.248     7.86989     170.248     
1 1 1 2  23 37 o 12.0867 3.60173 -0.859529    0.463856  0.484684     0.454272  2.1276      346         3.97673     166         
1 1 1 2  23 38 o 11.8163 3.68624 0.213444     0.443889  -0.344396    0.47832   1.21899     216.662     5.64648     36.662      
1 1 1 2  23 39 o 18.6185 4.19909 1.15457      0.498655  0.411314     0.477473  8.1583      321.262     3.22027     321.262     
1 1 1 2  23 40 f 41.8069 3.23621 3.64887      0.687536  3.70343      0.692202  23.2761     355.749     0           0           
1 1 1 2  23 41 o 27.2501 4.23519 1.52364      0.58169   1.97786      0.585102  21.7952     309.609     6.87892     309.609     
1 1 1 2  23 42 o 15.5821 4.24771 0.771844     0.512699  0.245294     0.491357  5.48066     259.356     3.28228     79.3558     
1 1 1 2  23 43 o 20.9598 4.36619 1.67999      0.580849  0.536516     0.529866  11.4267     348.616     2.38958     168.616     
1 1 1 2  23 44 f 28.5154 4.4254  1.77119      0.607725  2.23466      0.6666    14.7134     22.4469     0           0           
1 1 1 2  23 45 o 17.6336 4.75965 1.02405      0.63428   0.604553     0.587514  5.52388     48.6587     9.58747     228.659     
1 1 1 2  23 46 o 16.3197 4.6073  0.924277     0.615636  0.38826      0.586325  6.35059     350.351     2.69639     170.351     
1 1 1 2  23 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  24 0  o 6.41709 3.01041 -0.0690874   0.265051  -0.0690874   0.265051  5.60456     180         12.1288     180         
1 1 1 2  24 1  o 91.0169 2.31638 15.7314      1.01279   15.0086      1.15998   86.6637     319.978     25.0212     319.978     
1 1 1 2  24 2  o 49.8175 2.6791  4.57112      0.597923  4.7113       0.766154  32.3872     20.3362     13.6805     200.336     
1 1 1 2  24 3  o 18.3491 3.73135 0.745966     0.358869  0.543127     0.397773  3.08901     184.02      25.7264     184.02      
1 1 1 2  24 4  o 82.8667 2.30668 12.0952      0.982815  13.4124      0.993441  50.0734     184.991     35.4618     4.9905      
1 1 1 2  24 5  o 63.5233 2.52031 7.6503       0.916515  7.38933      0.728033  50.8073     122.998     0.208462    302.998     
1 1 1 2  24 6  o 58.7316 2.73012 6.04242      0.93254   6.87275      0.677119  53.7098     22.9605     14.7512     22.9605     
1 1 1 2  24 7  o 22.4917 3.57234 0.792654     0.438616  1.18617      0.379044  2.31719     352.761     35.7954     352.761     
1 1 1 2  24 8  o 108.631 2.35111 21.3795      1.30933   22.4868      1.33525   90.5284     243.004     2.82448     243.004     
1 1 1 2  24 9  o 72.1161 2.51819 10.1183      0.846605  9.29346      1.01317   62.2687     239.591     8.14179     239.591     
1 1 1 2  24 10 o 62.6995 2.4347  7.11909      0.691182  7.55374      0.87843   63.4491     354.659     27.6169     354.659     
1 1 1 2  24 11 o 36.0239 2.78448 2.51767      0.460933  2.39082      0.553208  29.0496     307.031     5.27498     307.031     
1 1 1 2  24 12 o 58.9574 2.51755 6.93218      0.762882  6.08955      0.765858  50.4953     50.3682     6.90822     50.3681     
1 1 1 2  24 13 o 45.7755 2.65584 3.90725      0.619524  3.97977      0.629779  36.3781     97.7241     1.15712     97.7241     
1 1 1 2  24 14 o 58.3529 2.44649 5.5314       0.690627  7.279        0.781869  57.2556     5.68163     22.11       5.68163     
1 1 1 2  24 15 o 42.3303 2.67207 3.49252      0.587502  3.27623      0.572718  28.4576     83.5534     9.43064     263.553     
1 1 1 2  24 16 o 42.3066 2.66541 3.03421      0.562067  3.74944      0.592187  30.3904     23.6514     5.43852     203.651     
1 1 1 2  24 17 o 41.8613 2.49087 3.61633      0.554639  3.00028      0.515596  38.5576     26.3539     12.6171     26.3539     
1 1 1 2  24 18 o 46.5061 2.49054 3.79883      0.595607  4.35175      0.593715  44.5866     154.407     16.6109     154.407     
1 1 1 2  24 19 o 51.7806 2.51651 5.14318      0.676683  4.95369      0.665987  33.8933     321.33      14.7181     141.33      
1 1 1 2  24 20 o 55.3489 2.41642 5.9061       0.668911  5.61134      0.708725  51.4118     277.289     15.3164     277.289     
1 1 1 2  24 21 o 65.5517 2.32196 8.54468      0.765476  7.59678      0.8024    51.5032     133.734     1.54357     313.734     
1 1 1 2  24 22 o 42.5136 2.5517  3.39385      0.559591  3.46044      0.554323  37.7681     292.656     9.88603     292.656     
1 1 1 2  24 23 o 64.4744 2.30683 7.90274      0.767756  7.74271      0.769078  61.0164     259.25      20.241      259.25      
1 1 1 2  24 24 o 43.352  2.56077 3.38296      0.568978  3.77456      0.569939  34.1319     285.75      1.14738     285.75      
1 1 1 2  24 25 o 43.1698 2.74198 3.63997      0.587555  3.50168      0.624702  34.8613     340.223     3.21193     340.223     
1 1 1 2  24 26 o 33.8936 3.26262 2.84795      0.553924  1.73191      0.535311  26.3968     89.2532     2.152       89.2532     
1 1 1 2  24 27 o 22.262  3.79613 1.07582      0.435489  0.960621     0.430969  13.3891     165.664     3.24908     345.664     
1 1 1 2  24 28 f 20.1017 4.03949 0.763131     0.462059  0.907751     0.424153  7.68204     156.724     0           0           
1 1 1 2  24 29 o 17.1754 4.15963 0.648544     0.412452  0.489892     0.491831  7.45201     135.711     0.564664    135.711     
1 1 1 2  24 30 o 28.7885 3.86837 1.58421      0.548803  1.85837      0.563189  21.8737     112.227     2.16839     112.227     
1 1 1 2  24 31 o 17.8358 4.2526  0.904899     0.505687  0.389781     0.452845  7.7353      255.925     7.57571     75.9254     
1 1 1 2  24 32 o 24.1694 3.84082 0.428454     0.528546  2.11502      0.518951  19.9821     45.834      7.81735     45.834      
1 1 1 2  24 33 o 11.6065 3.46932 0.349273     0.403329  -0.420852    0.384248  1.69096     239.628     3.17422     59.6277     
1 1 1 2  24 34 o 32.1645 3.75029 2.8653       0.618662  1.59966      0.567868  25.1073     116.972     3.12336     116.972     
1 1 1 2  24 35 o 28.4215 4.05863 2.36844      0.600727  1.25573      0.55839   14.5448     62.0366     12.2782     242.037     
1 1 1 2  24 36 o 17.0555 4.1503  0.293704     0.479007  0.913789     0.468026  7.46646     25.6279     5.10509     205.628     
1 1 1 2  24 37 o 17.1157 4.29495 1.06942      0.553863  0.180346     0.473658  5.29344     284.868     10.6666     104.868     
1 1 1 2  24 38 o 10.3007 3.43352 -0.177371    0.483498  -0.53589     0.474231  0.0182934   62.0559     1.80072     62.0561     
1 1 1 2  24 39 o 16.3849 4.32218 0.247113     0.497953  0.90296      0.534319  7.2117      342.555     2.3615      162.555     
1 1 1 2  24 40 o 11.4497 3.63787 0.198609     0.471709  -0.32975     0.452213  0.913542    303.569     12.2911     303.569     
1 1 1 2  24 41 o 8.85128 3.02984 -0.561312    0.437285  -0.476944    0.417521  2.7305      196.951     9.82154     196.951     
1 1 1 2  24 42 o 18.5257 4.4727  0.587908     0.534195  1.12594      0.534644  6.12951     132.224     1.27715     132.224     
1 1 1 2  24 43 o 20.8767 4.6975  0.999261     0.573834  1.31801      0.580393  12.2022     253.643     2.89516     253.643     
1 1 1 2  24 44 o 17.4554 4.58573 0.22935      0.600448  1.26535      0.614007  7.82525     23.0666     1.05369     203.067     
1 1 1 2  24 45 o 10.6524 3.56917 -0.54185     0.57112   -0.137566    0.499663  0.237603    176.578     4.52506     356.578     
1 1 1 2  24 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  25 0  o 96.7283 2.3131  17.3363      1.15678   17.3363      1.15678   79.1155     180         0.89415     8.65153e-06 
1 1 1 2  25 1  o 46.342  2.73198 4.47424      0.589477  3.63683      0.688478  24.5993     154.511     24.2755     334.511     
1 1 1 2  25 2  o 106.067 2.57575 21.0402      1.18187   21.0286      1.61044   91.7739     237.398     10.7271     237.398     
1 1 1 2  25 3  o 24.7259 3.46027 1.00283      0.370857  1.40729      0.487459  10.7523     178.466     4.86805     178.466     
1 1 1 2  25 4  o 22.2256 3.42433 0.890827     0.37623   1.05216      0.390972  10.8542     210.241     4.7423      30.2415     
1 1 1 2  25 5  o 47.3918 2.53737 4.39904      0.625123  4.04049      0.611866  35.9458     60.4757     2.62494     240.476     
1 1 1 2  25 6  o 59.7339 2.74016 7.00793      0.870675  6.42804      0.817351  57.0261     122.599     19.3384     122.599     
1 1 1 2  25 7  o 36.2909 2.99769 2.47449      0.574043  2.54885      0.530398  32.87       332.871     12.5517     332.871     
1 1 1 2  25 8  o 92.1525 2.27285 15.4828      1.12089   16.1961      1.0434    76.9712     12.0781     4.56419     12.0781     
1 1 1 2  25 9  o 24.7599 3.30613 1.16906      0.388559  1.2271       0.428875  13.2399     68.1122     8.24239     248.112     
1 1 1 2  25 10 o 34.7656 3.24666 1.96685      0.565717  2.71695      0.559883  23.4567     240.601     6.10865     60.6009     
1 1 1 2  25 11 o 71.8238 2.77347 10.3883      0.971608  9.08377      1.07163   75.2973     355.141     35.9675     355.141     
1 1 1 2  25 12 o 22.365  3.95295 1.32033      0.437513  0.662102     0.511862  12.3512     172.94      5.38903     352.94      
1 1 1 2  25 13 o 59.9297 3.52483 8.56117      0.909204  5.40228      1.13273   42.3245     297.969     11.1223     117.969     
1 1 1 2  25 14 o 58.164  3.24928 5.96843      0.873975  6.99152      1.07004   38.4546     311.915     15.9475     131.915     
1 1 1 2  25 15 o 52.6781 3.04421 5.62122      0.752082  4.96716      0.877744  41.4846     149.023     0.365564    329.022     
1 1 1 2  25 16 o 56.2638 2.80667 6.24577      0.85443   5.76731      0.772344  43.8614     162.44      1.4358      342.44      
1 1 1 2  25 17 o 30.3082 3.33912 1.74939      0.49471   1.84106      0.520382  13.1211     106.005     20.0601     286.005     
1 1 1 2  25 18 o 21.3458 3.75617 1.16137      0.41274   0.675308     0.432256  8.1005      27.0429     14.0066     207.043     
1 1 1 2  25 19 o 13.3244 3.2703  0.549986     0.328425  0.0170312    0.270718  2.49448     136.333     21.2042     136.333     
1 1 1 2  25 20 o 9.03096 2.80387 -0.0612414   0.267885  -0.0352509   0.237017  3.82643     311.14      13.4447     311.14      
1 1 1 2  25 21 o 29.2096 3.10718 1.4283       0.449682  1.9263       0.454115  22.6127     316.423     2.79256     316.423     
1 1 1 2  25 22 o 54.5776 2.43352 5.37622      0.696818  5.92137      0.669939  32.8311     329.06      19.843      149.06      
1 1 1 2  25 23 o 20.0954 3.66719 0.781537     0.395966  0.863406     0.374344  7.20227     37.1667     13.2415     217.167     
1 1 1 2  25 24 o 51.2881 2.55447 4.56869      0.651404  5.49654      0.697093  43.2362     31.7687     7.35488     31.7687     
1 1 1 2  25 25 o 17.5376 3.91454 0.477107     0.403021  0.751059     0.404401  0.510507    220.891     23.138      40.8904     
1 1 1 2  25 26 o 48.8529 2.63849 4.28646      0.663965  4.9071       0.65907   35.8923     6.97525     3.33561     186.975     
1 1 1 2  25 27 o 26.448  3.66201 1.68277      0.511796  1.21095      0.457503  16.5921     286.849     5.00404     106.849     
1 1 1 2  25 28 o 58.7301 2.74276 6.16049      0.826441  7.25931      0.829443  44.242      90.0117     1.96504     270.012     
1 1 1 2  25 29 o 14.6675 3.89798 0.531532     0.405266  0.164462     0.42658   5.41452     230.658     3.94311     50.6583     
1 1 1 2  25 30 o 22.0913 4.32483 0.879427     0.506963  1.28053      0.528183  16.1224     253.442     3.24904     253.442     
1 1 1 2  25 31 o 16.6404 4.29171 0.637481     0.508784  0.48554      0.453335  3.82785     2.93813     14.6229     182.938     
1 1 1 2  25 32 o 14.9132 4.09344 0.369815     0.447956  0.41613      0.457779  5.94645     32.0278     1.16109     212.028     
1 1 1 2  25 33 o 15.7073 4.22358 0.492185     0.488203  0.468329     0.462241  5.29991     238.627     0.405976    238.627     
1 1 1 2  25 34 o 17.8996 4.01494 0.0995897    0.48      1.20786      0.49197   5.89181     207.272     11.2675     27.2716     
1 1 1 2  25 35 o 37.7155 3.38072 2.71999      0.640886  3.29748      0.644479  31.0387     94.8409     7.58184     94.8409     
1 1 1 2  25 36 f 23.8998 4.24765 0.948252     0.538992  1.76363      0.546624  15.0018     136.298     0           0           
1 1 1 2  25 37 o 18.6967 4.09829 1.36359      0.51695   0.21045      0.491416  9.76013     15.6524     3.25649     195.652     
1 1 1 2  25 38 o 19.619  4.63451 1.22188      0.601236  0.747813     0.515101  8.49672     245         7.67385     65.0002     
1 1 1 2  25 39 o 9.64067 3.28188 -0.322014    0.5006    -0.68443     0.465536  2.62663     320.491     11.0977     320.491     
1 1 1 2  25 40 o 10.2903 3.42309 -0.0893497   0.459693  -0.581274    0.498842  1.0587      340.34      5.93257     340.34      
1 1 1 2  25 41 o 17.8848 4.13243 1.47473      0.566893  -0.0746131   0.511173  7.73854     224.017     0.246688    224.017     
1 1 1 2  25 42 o 10.8642 3.56139 -0.0231335   0.482016  -0.287483    0.478483  2.39919     170.929     14.6771     170.929     
1 1 1 2  25 43 o 10.0457 3.40423 -0.499456    0.519465  -0.338845    0.498634  0.561331    117.074     6.65413     117.074     
1 1 1 2  25 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  26 0  o 149.702 2.14476 41.4478      1.66278   41.4478      1.66278   138.204     7.86517e-06 33.3577     7.86517e-06 
1 1 1 2  26 1  o 40.0734 2.60959 3.50532      0.531957  2.5989       0.529465  33.5797     274.068     5.25474     274.068     
1 1 1 2  26 2  f 43.3983 2.50287 3.29733      0.554348  3.80817      0.559853  45.4796     334.3       0           0           
1 1 1 2  26 3  o 32.5233 2.75669 1.78743      0.450186  2.25721      0.455262  24.5281     52.404      0.113872    232.405     
1 1 1 2  26 4  o 54.0573 2.41454 5.32669      0.649093  5.646        0.69725   45.8703     236.952     6.19875     236.952     
1 1 1 2  26 5  o 45.9601 2.83149 3.85798      0.71257   4.16061      0.613073  37.5703     82.3614     3.14854     82.3614     
1 1 1 2  26 6  o 16.3679 3.69903 0.726976     0.378759  0.256678     0.364599  0.959949    12.8594     19.7779     192.859     
1 1 1 2  26 7  o 45.6579 2.8169  4.43792      0.628121  3.50258      0.675665  28.7589     139.106     14.3976     319.106     
1 1 1 2  26 8  o 45.6059 2.87478 3.25154      0.630693  4.72832      0.707261  40.0642     89.444      9.1639      89.444      
1 1 1 2  26 9  o 69.6128 2.54804 8.62523      0.93037   9.63045      0.89765   56.1959     129.022     1.48646     129.022     
1 1 1 2  26 10 o 21.0891 4.03052 0.879867     0.428821  0.912944     0.473485  9.64419     220.162     9.70785     40.1619     
1 1 1 2  26 11 o 15.6816 4.16434 0.364595     0.49135   0.404574     0.427952  2.80341     76.1618     0.96751     256.162     
1 1 1 2  26 12 o 16.3136 4.33596 0.289096     0.484675  0.551014     0.517758  2.74872     289.651     27.8364     289.651     
1 1 1 2  26 13 o 25.3672 4.73796 1.61264      0.620627  1.05797      0.666458  18.8028     121.055     3.41929     121.055     
1 1 1 2  26 14 f 55.5658 3.60845 4.73226      0.993911  7.4699       1.01618   34.5781     122.301     0           0           
1 1 1 2  26 15 o 21.7452 4.5662  0.99999      0.569403  0.950031     0.53474   8.02439     194.045     14.5351     14.0448     
1 1 1 2  26 16 o 27.7789 4.26037 1.82831      0.620281  1.359        0.573999  23.3654     195.788     8.88638     195.788     
1 1 1 2  26 17 o 20.2857 4.44835 1.18675      0.554714  0.45746      0.530109  6.34787     3.09793     15.3011     183.098     
1 1 1 2  26 18 o 21.8254 4.44387 0.933811     0.470598  1.04925      0.590798  12.0995     24.4521     4.92951     204.452     
1 1 1 2  26 19 o 17.4219 3.79527 0.54743      0.362865  0.667721     0.391048  2.27445     75.6634     18.8315     255.663     
1 1 1 2  26 20 o 76.1939 2.47738 10.4564      0.89136   11.6171      1.05946   69.1532     286.167     19.3254     286.167     
1 1 1 2  26 21 o 21.8871 3.3957  0.804771     0.371635  1.14123      0.38023   3.9168      244.432     23.8275     64.4319     
1 1 1 2  26 22 o 45.6357 2.44277 4.00742      0.575411  3.94562      0.571711  38.325      250.187     7.12307     250.187     
1 1 1 2  26 23 o 53.1789 2.50976 5.72508      0.666473  5.12092      0.704267  38.9428     233.369     3.95603     53.3691     
1 1 1 2  26 24 o 30.9484 3.20977 2.09715      0.500207  1.7354       0.495317  23.0655     337.299     0.741521    337.299     
1 1 1 2  26 25 o 22.3663 3.70567 1.22293      0.429312  0.875253     0.41942   12.7507     227.44      5.69897     47.44       
1 1 1 2  26 26 o 8.27835 2.68717 0.0287246    0.285094  -0.605119    0.279077  6.49798     179.957     21.1252     179.957     
1 1 1 2  26 27 o 19.5141 4.20276 0.887766     0.468896  0.764731     0.459181  11.583      256.723     2.10138     76.7232     
1 1 1 2  26 28 o 9.61182 3.12984 -0.198056    0.343073  -0.199148    0.376319  1.94419     324.232     12.7618     324.232     
1 1 1 2  26 29 o 39.8963 3.2149  2.65035      0.598616  3.89931      0.70337   33.9284     125.831     8.74976     125.831     
1 1 1 2  26 30 o 24.5469 4.19674 1.88219      0.527666  0.841788     0.588233  10.7871     142.823     13.3327     322.823     
1 1 1 2  26 31 o 13.3677 3.92391 0.0063265    0.448273  0.396134     0.464833  2.08558     329.28      1.64451     149.28      
1 1 1 2  26 32 o 29.6282 3.92615 2.41386      0.615428  1.51177      0.545292  21.0694     203.856     0.522739    203.856     
1 1 1 2  26 33 o 15.2595 3.75384 1.07355      0.495465  -0.605011    0.464433  5.5103      253.544     3.73075     73.5438     
1 1 1 2  26 34 o 24.6069 4.36233 1.55482      0.577388  1.32605      0.534152  16.7038     247.717     0.62156     247.717     
1 1 1 2  26 35 o 11.5748 3.60668 0.286166     0.456646  -0.319569    0.416736  0.312372    48.2171     0.899317    228.217     
1 1 1 2  26 36 o 29.3935 4.09176 2.36838      0.614463  1.67873      0.587425  23.9353     346.42      8.77422     346.42      
1 1 1 2  26 37 o 18.6977 4.51955 0.69643      0.551772  1.04596      0.523658  7.38901     242.617     6.84235     62.6174     
1 1 1 2  26 38 o 14.676  4.1973  0.377053     0.510316  0.466228     0.482127  2.91508     242.093     5.5566      62.0933     
1 1 1 2  26 39 o 12.4201 3.8998  0.464799     0.569598  -0.387469    0.461808  0.848301    266.344     3.96351     86.3437     
1 1 1 2  26 40 o 15.6238 4.4715  0.34719      0.544462  0.766757     0.591795  5.01032     143.304     2.02109     323.304     
1 1 1 2  26 41 f 11.5624 3.7262  0.0689398    0.494993  -0.140553    0.494967  11.8483     357.504     0           0           
1 1 1 2  26 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  27 0  o 7.1732  3.27397 0.00507834   0.283313  0.00507834   0.283313  5.41275     360         14.4724     360         
1 1 1 2  27 1  o 78.8814 2.26645 11.2894      0.923796  12.0689      0.92501   70.728      197.641     16.6042     197.641     
1 1 1 2  27 2  o 32.3746 2.82207 1.75241      0.459074  2.29296      0.459582  27.7433     298.437     7.9182      298.437     
1 1 1 2  27 3  o 34.1655 2.83518 1.87052      0.472246  2.64529      0.504478  24.5569     274.922     2.49736     94.9222     
1 1 1 2  27 4  o 42.1656 2.56818 3.4332       0.567491  3.32054      0.544252  44.4133     74.1324     25.7997     74.1324     
1 1 1 2  27 5  o 9.0799  2.85192 -0.0891776   0.275921  -0.0719862   0.261167  3.14173     158.758     11.3073     158.758     
1 1 1 2  27 6  o 28.9927 3.43111 1.38269      0.475409  1.9607       0.515836  16.1319     103.187     10.8933     283.187     
1 1 1 2  27 7  o 75.1802 2.55549 9.93863      0.91595   11.484       1.07112   62.3365     220.675     6.06767     220.675     
1 1 1 2  27 8  o 49.4414 2.70258 4.46033      0.649536  4.86308      0.725117  45.3043     318.598     14.3547     318.598     
1 1 1 2  27 9  o 23.2937 4.1459  1.509        0.470831  0.681309     0.588011  8.66641     28.0833     16.1558     208.083     
1 1 1 2  27 10 o 73.0544 3.06062 10.6506      1.156     9.87583      1.15043   62.1298     260.064     9.55148     260.064     
1 1 1 2  27 11 o 18.9636 4.17348 0.295633     0.517221  1.0519       0.471467  9.88911     158.651     1.00865     338.651     
1 1 1 2  27 12 o 55.5009 3.23552 5.60803      0.928296  6.36426      0.911985  39.078      223.509     8.19875     43.5087     
1 1 1 2  27 13 o 11.3612 3.57112 -0.344028    0.469839  0.0422793    0.397478  0.252647    258.398     6.23501     258.398     
1 1 1 2  27 14 f 23.2345 4.41947 1.29417      0.577281  0.979705     0.51341   27.2143     142.571     0           0           
1 1 1 2  27 15 o 43.4124 3.4314  3.25362      0.778368  4.20203      0.71234   34.8164     107.18      3.69469     107.18      
1 1 1 2  27 16 o 22.5553 4.4541  1.54731      0.588005  0.592225     0.558264  14.0673     176.136     1.58306     356.136     
1 1 1 2  27 17 o 30.2513 4.4234  1.76175      0.679203  2.08673      0.662045  15.4917     190.077     13.7807     10.0767     
1 1 1 2  27 18 o 36.5653 4.09439 2.86147      0.775018  2.64363      0.725695  24.8458     181.094     5.09795     1.09394     
1 1 1 2  27 19 o 26.566  4.71054 1.15806      0.676954  1.9207       0.64673   11.8623     96.7591     14.9284     276.759     
1 1 1 2  27 20 o 34.4834 3.94981 2.43874      0.665519  2.47452      0.697984  25.4682     282.429     0.143426    102.429     
1 1 1 2  27 21 o 60.6813 3.15559 8.00821      0.882251  6.5562       1.04862   49.2564     345.756     5.52216     345.756     
1 1 1 2  27 22 o 45.6384 2.84116 3.65889      0.602003  4.53325      0.730299  44.4272     341.756     20.5261     341.756     
1 1 1 2  27 23 o 14.6885 3.41866 0.111707     0.340617  0.657329     0.323598  5.91709     144.105     2.63145     324.105     
1 1 1 2  27 24 o 28.6278 3.30838 1.43274      0.483606  1.9351       0.45062   17.7564     28.9617     6.26412     208.962     
1 1 1 2  27 25 o 7.96963 2.63729 -0.144196    0.298305  -0.286164    0.237936  2.32021     358.05      9.56236     358.05      
1 1 1 2  27 26 o 43.732  3.02421 3.74059      0.703168  3.95964      0.645507  28.9172     7.40321     7.66515     187.403     
1 1 1 2  27 27 o 12.312  3.50016 0.460378     0.38883   -0.217198    0.358117  2.09492     161.649     3.73031     341.65      
1 1 1 2  27 28 o 23.3473 4.02854 1.53128      0.505564  0.928445     0.475367  11.7421     336.549     8.70948     156.549     
1 1 1 2  27 29 o 17.6502 3.82716 1.23124      0.475264  0.0312089    0.437063  6.59209     278.697     2.10755     278.697     
1 1 1 2  27 30 o 15.3947 4.23013 0.318402     0.457313  0.613648     0.516077  5.3688      141.194     2.73813     321.194     
1 1 1 2  27 31 o 14.1631 4.15451 0.106271     0.515118  0.465399     0.50461   3.8503      213.876     4.31483     33.8764     
1 1 1 2  27 32 o 32.9296 4.16568 2.31466      0.698258  2.67477      0.666738  29.1616     354.926     12.962      354.926     
1 1 1 2  27 33 o 11.7383 3.65481 -0.0802813   0.43727   0.168048     0.434475  0.736153    97.0323     4.08208     277.032     
1 1 1 2  27 34 o 28.6252 4.49888 2.098        0.624599  1.897        0.676989  20.0787     98.3857     1.85488     98.3857     
1 1 1 2  27 35 o 16.4676 4.47859 0.609874     0.532581  0.656396     0.544183  4.98709     147.378     4.65822     327.378     
1 1 1 2  27 36 o 13.6493 3.98059 -0.11354     0.464065  0.618738     0.501979  1.52537     115.259     2.68505     295.259     
1 1 1 2  27 37 o 10.6875 3.51102 -0.0162586   0.481964  -0.369481    0.460167  1.03401     277.317     8.71442     277.317     
1 1 1 2  27 38 o 12.9914 4.021   0.285923     0.512999  0.0916543    0.523526  1.99385     217.955     3.97857     37.9547     
1 1 1 2  27 39 f 6.62247 2.36382 -1.14803     0.402577  -1.03294     0.365442  3.82205     197.086     0           0           
1 1 1 2  27 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  28 0  o 7.60481 3.40571 0.0511599    0.289202  0.0511599    0.289202  1.46597     180         4.26478     180         
1 1 1 2  28 1  o 35.0567 2.77652 2.00036      0.483292  2.76919      0.498179  31.9592     182.955     12.7199     182.955     
1 1 1 2  28 2  o 32.9975 2.86198 2.66377      0.470753  1.61554      0.46106   18.6286     263.904     12.2788     83.9037     
1 1 1 2  28 3  o 40.1332 2.66865 3.12361      0.557271  3.05379      0.540037  24.318      67.3448     12.5982     247.345     
1 1 1 2  28 4  o 14.3188 3.52334 0.382439     0.319386  0.361526     0.321573  2.90721     227.82      7.80176     47.8205     
1 1 1 2  28 5  o 44.2326 2.748   3.84683      0.624513  3.67102      0.622568  40.948      105.543     15.1882     105.543     
1 1 1 2  28 6  o 45.0012 2.76034 3.93012      0.564383  3.85339      0.699542  32.0899     323.671     4.60865     143.671     
1 1 1 2  28 7  o 53.3987 2.51938 5.35216      0.632675  5.51272      0.749882  50.7944     89.9929     20.0124     89.9929     
1 1 1 2  28 8  o 28.6066 4.11384 1.8328       0.523395  1.54167      0.649095  16.2653     36.3663     9.16773     216.366     
1 1 1 2  28 9  o 27.0597 4.34607 1.09584      0.594665  2.01259      0.615508  7.73943     144.664     24.4519     324.664     
1 1 1 2  28 10 o 15.2182 4.24802 0.291077     0.502392  0.360848     0.48782   4.14381     77.7604     7.26163     257.76      
1 1 1 2  28 11 o 22.1906 4.71143 0.825544     0.564528  1.27971      0.61817   7.89823     298.318     15.3544     118.318     
1 1 1 2  28 12 o 32.5107 4.4897  2.56037      0.733877  1.92044      0.723312  27.2918     263.629     7.80803     263.629     
1 1 1 2  28 13 o 44.8937 3.70839 4.1243       0.885764  4.00126      0.806158  45.1876     261.395     23.601      261.395     
1 1 1 2  28 14 o 21.5132 4.13323 1.66427      0.570991  0.283641     0.500012  9.21075     329.046     11.5101     149.046     
1 1 1 2  28 15 o 26.4594 4.40207 1.15261      0.635963  1.86271      0.571771  22.8207     279.958     10.9341     279.958     
1 1 1 2  28 16 o 22.8563 4.70337 1.15738      0.590958  1.14027      0.590557  14.1832     45.9545     2.74198     225.955     
1 1 1 2  28 17 f 22.4795 4.80073 1.24357      0.617826  1.00344      0.598718  19.6764     74.8011     0           0           
1 1 1 2  28 18 o 20.7381 3.99551 1.76816      0.577891  -0.114028    0.543469  13.7401     306.878     0.689789    306.878     
1 1 1 2  28 19 o 27.7573 4.56478 2.4569       0.685703  1.04021      0.656877  20.7415     183.057     2.22622     183.057     
1 1 1 2  28 20 o 28.9512 4.39152 1.64756      0.601334  2.05327      0.678813  20.7427     154.016     0.061602    334.014     
1 1 1 2  28 21 o 9.38736 3.16313 -0.22349     0.394082  -0.929421    0.498562  3.26016     151.867     15.8784     151.867     
1 1 1 2  28 22 o 20.7655 4.87071 0.845902     0.591541  1.15321      0.63676   13.0419     154.409     0.638741    334.409     
1 1 1 2  28 23 o 11.6456 3.66439 -0.529936    0.472764  0.219122     0.469905  0.305484    236.53      10.6269     56.5295     
1 1 1 2  28 24 o 19.1414 3.95274 0.857496     0.395668  0.761482     0.442001  11.7366     113.454     2.39167     113.454     
1 1 1 2  28 25 o 19.993  3.87942 1.01959      0.437332  0.767025     0.393781  8.5991      203.824     9.10621     23.8236     
1 1 1 2  28 26 o 23.4132 3.75107 1.44774      0.447615  0.97994      0.44812   15.068      356.343     0.814832    176.343     
1 1 1 2  28 27 o 14.5541 3.77141 0.420015     0.383278  0.435192     0.361191  4.31358     141.62      5.27892     321.62      
1 1 1 2  28 28 o 30.2723 3.4887  1.61056      0.52861   2.35983      0.508783  23.0378     220.105     3.95104     220.105     
1 1 1 2  28 29 o 17.1499 4.11678 0.882967     0.455355  0.452352     0.443925  6.12223     118.988     8.76372     298.988     
1 1 1 2  28 30 o 22.0596 4.2936  1.04873      0.496212  1.30335      0.519907  14.5496     192.351     2.37031     192.351     
1 1 1 2  28 31 o 35.9301 3.97937 3.06027      0.687915  2.82484      0.73933   30.5619     345.041     11.6439     345.041     
1 1 1 2  28 32 o 18.1972 4.10742 1.44006      0.555357  0.085201     0.46562   7.37759     86.968      4.88773     266.968     
1 1 1 2  28 33 o 30.2407 4.02    2.37889      0.652717  1.8788       0.562815  25.7072     316.472     13.5411     316.472     
1 1 1 2  28 34 o 15.6025 4.22448 0.481        0.494142  0.612918     0.466459  4.58213     181.433     3.61707     1.43304     
1 1 1 2  28 35 o 10.7818 3.51788 -0.268927    0.444416  -8.98589e-05 0.474191  0.0434828   304.902     3.38015     304.902     
1 1 1 2  28 36 o 20.4268 4.77565 1.09226      0.589178  1.19166      0.588025  11.2373     358.186     1.76641     178.186     
1 1 1 2  28 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  29 0  o 60.8444 2.41788 6.97899      0.757032  6.97899      0.757032  58.7434     360         22.8224     360         
1 1 1 2  29 1  o 48.7037 2.53163 4.34974      0.63222   4.76275      0.636155  44.9781     90.5106     16.4556     90.5106     
1 1 1 2  29 2  o 22.3455 3.53369 0.933948     0.400646  1.11672      0.398323  16.2502     269.753     3.85593     269.753     
1 1 1 2  29 3  o 45.3589 2.61785 4.31558      0.62177   3.63211      0.596695  37.3424     165.253     6.22385     165.253     
1 1 1 2  29 4  o 29.1774 3.35975 1.54125      0.506684  1.88847      0.465477  25.6564     103.064     10.5857     103.064     
1 1 1 2  29 5  o 10.7752 3.18583 0.0889642    0.298528  0.0596863    0.29701   0.187896    274.154     2.21961     94.1535     
1 1 1 2  29 6  o 23.6097 3.56004 1.28169      0.379069  1.00705      0.464594  15.0871     167.776     2.5497      347.776     
1 1 1 2  29 7  o 25.0609 4.09672 1.15562      0.43418   1.51664      0.610428  19.2956     353.875     4.61928     353.875     
1 1 1 2  29 8  o 33.7866 4.12174 3.28309      0.629686  1.60056      0.700922  24.3283     167.684     1.03585     347.684     
1 1 1 2  29 9  o 10.4548 3.416   -0.205258    0.440535  -0.335581    0.428887  0.283863    41.2041     7.49332     41.2041     
1 1 1 2  29 10 o 16.4336 4.28552 0.0117482    0.524713  0.837553     0.524821  7.65162     290.39      0.759971    110.39      
1 1 1 2  29 11 o 14.3299 4.09098 0.556983     0.500918  -0.218255    0.512722  3.04187     164.183     0.458983    344.183     
1 1 1 2  29 12 o 16.5529 4.50451 0.525943     0.559413  0.451935     0.530301  4.26049     22.5306     12.8552     202.531     
1 1 1 2  29 13 o 21.6397 4.7299  1.09035      0.590327  1.00562      0.578376  14.4168     116.164     0.633057    116.164     
1 1 1 2  29 14 f 25.1746 4.52797 1.16262      0.624135  1.66662      0.578182  15.4254     8.03268     0           0           
1 1 1 2  29 15 o 21.9818 4.5972  0.817245     0.61661   1.34089      0.545665  10.6421     172.546     9.22477     352.546     
1 1 1 2  29 16 o 12.9103 3.97565 -0.0142208   0.502673  0.123757     0.497044  3.43746     202.583     3.8134      22.583      
1 1 1 2  29 17 o 14.9508 4.29656 0.370177     0.525923  0.298374     0.517236  5.19395     2.04385     0.202333    182.044     
1 1 1 2  29 18 o 17.6644 4.41255 -0.213401    0.648361  1.15542      0.566864  8.76849     187.654     3.66341     7.65439     
1 1 1 2  29 19 o 16.4418 4.49982 0.305892     0.554967  0.704077     0.557716  5.70624     297.42      8.29582     117.42      
1 1 1 2  29 20 o 10.2033 3.42359 -0.463346    0.451248  -0.375934    0.518701  0.0271765   15.8499     1.15084     15.8499     
1 1 1 2  29 21 o 17.6861 4.44263 1.19503      0.582645  -0.0980508   0.618029  8.04097     321.372     3.87369     141.372     
1 1 1 2  29 22 f 38.6697 4.13455 3.27319      0.795509  3.37504      0.810333  23.8115     129.2       0           0           
1 1 1 2  29 23 o 33.1068 4.2592  1.63941      0.673797  3.47566      0.711505  23.8241     309.391     0.843826    309.391     
1 1 1 2  29 24 o 10.7878 3.54931 0.092949     0.528205  -0.73196     0.449098  2.56791     227.335     15.6355     227.335     
1 1 1 2  29 25 o 16.6314 4.61644 0.947298     0.617917  0.108514     0.62092   7.0708      222.931     3.01758     42.9313     
1 1 1 2  29 26 o 32.5122 4.07726 2.46646      0.580338  2.35039      0.728317  24.5465     9.12259     3.78998     9.12258     
1 1 1 2  29 27 o 29.1295 3.70713 1.98428      0.517055  1.79963      0.557856  23.9584     147.811     9.45587     147.811     
1 1 1 2  29 28 o 32.6595 3.38796 2.50235      0.568198  2.12365      0.543307  28.9126     313.345     14.5537     313.345     
1 1 1 2  29 29 o 14.7715 3.67787 0.817659     0.410207  0.0374039    0.370962  3.09453     36.8192     4.43528     216.819     
1 1 1 2  29 30 o 36.1869 3.30059 2.93953      0.609735  2.70789      0.599051  27.3558     127.166     4.83814     127.166     
1 1 1 2  29 31 o 24.3918 4.47092 1.54078      0.558516  1.43492      0.582984  14.3827     138.018     2.30062     318.018     
1 1 1 2  29 32 o 16.8723 4.42585 0.729479     0.527427  0.679538     0.502399  5.04167     159.358     0.508094    159.358     
1 1 1 2  29 33 o 15.7621 4.28363 0.477354     0.5354    0.672165     0.466057  5.56727     233.407     4.06412     53.4071     
1 1 1 2  29 34 o 11.938  3.71547 0.257753     0.466466  -0.0727097   0.433194  0.483992    36.2705     10.0816     216.271     
1 1 1 2  29 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  30 0  o 49.4758 2.60318 4.68752      0.658926  4.68752      0.658926  51.4899     2.24582e-08 27.1668     2.24582e-08 
1 1 1 2  30 1  o 17.8665 3.81903 0.783439     0.391569  0.564139     0.381647  8.48333     323.466     5.99554     143.466     
1 1 1 2  30 2  o 20.8269 3.69488 1.06078      0.40925   0.784216     0.391273  13.1342     341.756     1.39057     161.756     
1 1 1 2  30 3  o 49.8073 2.61271 5.2362       0.669749  4.45499      0.666064  38.7768     76.8194     2.74664     76.8194     
1 1 1 2  30 4  o 50.9432 2.66031 5.14716      0.715405  5.00379      0.679569  35.7828     316.64      5.12656     136.64      
1 1 1 2  30 5  o 23.2882 3.66389 0.936753     0.431343  1.36967      0.434926  17.7868     175.472     4.45421     175.472     
1 1 1 2  30 6  o 11.3385 3.3092  -0.103269    0.238843  0.371114     0.399311  1.35499     158.407     2.72162     338.407     
1 1 1 2  30 7  o 41.7075 3.59446 3.7835       0.714254  3.4153       0.794865  39.3361     245.14      17.4944     245.14      
1 1 1 2  30 8  o 17.5949 4.44214 0.660906     0.481172  0.631887     0.545116  8.21494     59.3484     5.7749      239.348     
1 1 1 2  30 9  o 36.5714 4.12445 3.00484      0.750971  2.76572      0.758625  28.8221     213.462     4.28489     213.462     
1 1 1 2  30 10 o 26.8125 4.85142 1.30018      0.655924  2.07209      0.716614  22.7008     40.6214     9.79356     40.6214     
1 1 1 2  30 11 f 21.8871 4.87319 0.730234     0.637823  1.49431      0.649017  15.1441     99.7928     0           0           
1 1 1 2  30 12 o 13.1107 4.01209 -0.0571139   0.534897  0.211108     0.481071  2.0442      92.9594     9.45355     272.959     
1 1 1 2  30 13 o 24.3634 4.78757 1.7989       0.666035  1.02045      0.61769   16.4825     185.632     0.450437    185.632     
1 1 1 2  30 14 o 26.5786 4.61689 1.36348      0.672823  1.92208      0.608907  15.8669     159.314     5.1753      339.314     
1 1 1 2  30 15 o 16.7165 4.43525 0.556287     0.55252   0.598745     0.49066   7.02678     33.9295     0.601559    213.93      
1 1 1 2  30 16 o 15.5608 4.25257 0.0720151    0.555267  0.709783     0.490251  5.29145     89.5157     2.90236     269.516     
1 1 1 2  30 17 o 21.5781 4.75137 1.20252      0.614672  1.04757      0.562039  12.8379     148.045     1.21772     328.045     
1 1 1 2  30 18 o 10.3456 3.41992 -0.49559     0.447654  -0.118293    0.469412  0.117039    161.307     2.80756     161.307     
1 1 1 2  30 19 o 10.5225 3.52153 -0.38171     0.488378  -0.393766    0.530297  1.24744     80.7745     10.5583     80.7745     
1 1 1 2  30 20 o 12.4332 4.02393 -0.290555    0.577565  0.034385     0.594039  1.48623     225.884     6.62794     45.8843     
1 1 1 2  30 21 o 19.4207 5.0677  1.19457      0.737164  0.728324     0.613472  4.90912     347.049     15.6407     167.049     
1 1 1 2  30 22 o 15.709  4.39987 0.529751     0.508622  0.477033     0.558367  4.81519     269.587     7.54518     89.5872     
1 1 1 2  30 23 o 17.7712 4.62826 0.617019     0.532515  0.911859     0.593786  6.75283     287.722     1.28899     287.722     
1 1 1 2  30 24 o 18.557  4.93382 1.06132      0.649815  0.660998     0.659332  8.43309     96.5773     0.580515    276.577     
1 1 1 2  30 25 o 31.0093 4.75939 2.92384      0.704265  1.91418      0.794995  24.8142     311.957     9.31614     311.957     
1 1 1 2  30 26 f 18.1652 4.58007 1.3081       0.611506  0.215249     0.595712  12.3225     18.198      0           0           
1 1 1 2  30 27 o 13.4879 4.17054 0.259332     0.539913  0.111288     0.571508  1.04701     150.547     2.09776     330.547     
1 1 1 2  30 28 o 14.1967 4.25806 0.163496     0.547253  0.473315     0.551582  2.72025     160.463     5.46969     340.463     
1 1 1 2  30 29 o 14.5274 4.23523 0.139095     0.459137  0.693544     0.581825  3.23002     237.855     2.31927     57.8552     
1 1 1 2  30 30 o 17.2433 4.25282 0.869373     0.451871  0.588558     0.50643   7.80247     154.618     1.7454      334.618     
1 1 1 2  30 31 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  30 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  31 0  o 26.0963 3.88746 1.48016      0.462884  1.48016      0.462884  19.9455     180         0.651173    180         
1 1 1 2  31 1  o 49.9904 2.65934 5.23527      0.697288  4.66913      0.670316  46.0081     242.269     18.8028     242.269     
1 1 1 2  31 2  o 12.3318 3.26533 0.542456     0.339403  -0.256101    0.322566  1.32344     333.443     2.23567     153.443     
1 1 1 2  31 3  f 18.0479 3.72164 0.354176     0.407777  1.028        0.393831  11.7714     131.734     0           0           
1 1 1 2  31 4  o 13.0507 3.51669 0.275711     0.348062  0.31018      0.313217  1.59158     188.625     9.82742     8.62529     
1 1 1 2  31 5  f 30.3925 3.39158 1.76972      0.482072  2.1098       0.551978  18.0434     306.224     0           0           
1 1 1 2  31 6  o 17.3093 4.20045 0.919185     0.475343  0.338189     0.485722  7.71559     329.399     3.53489     149.399     
1 1 1 2  31 7  o 11.6216 3.57689 0.24281      0.425903  -0.257133    0.408901  0.590795    87.1952     11.4848     87.1952     
1 1 1 2  31 8  o 18.3839 4.58599 0.735403     0.498675  0.802579     0.590877  8.45344     90.9795     4.40863     270.98      
1 1 1 2  31 9  o 24.4383 4.71202 1.51448      0.572808  1.33636      0.664307  17.9094     39.282      5.32044     39.282      
1 1 1 2  31 10 o 10.1847 3.38737 -0.337988    0.450125  -0.328953    0.466676  3.8897      306.007     17.4026     306.007     
1 1 1 2  31 11 o 23.5885 4.91981 1.91731      0.70701   0.865275     0.641789  17.2089     230.325     7.04914     230.325     
1 1 1 2  31 12 o 18.4094 4.75437 0.748783     0.609075  0.831118     0.57464   9.15039     125.572     2.06517     305.572     
1 1 1 2  31 13 o 19.4061 4.50951 1.39858      0.611997  0.385207     0.51113   11.1309     18.1411     0.911071    18.1411     
1 1 1 2  31 14 o 19.5929 4.58987 1.25903      0.602972  0.604112     0.508438  9.54103     272.372     4.32356     272.372     
1 1 1 2  31 15 o 10.2924 3.35858 -0.547804    0.455836  0.00973782   0.412775  0.218735    42.419      5.15003     42.419      
1 1 1 2  31 16 o 14.5346 4.16006 -0.0268413   0.547729  0.613711     0.491449  3.39679     91.8715     0.917575    271.872     
1 1 1 2  31 17 o 11.401  3.67163 0.0343938    0.502541  -0.231881    0.453249  0.0555327   45.5347     8.79266     45.5348     
1 1 1 2  31 18 o 14.0673 4.12582 -0.0697411   0.553516  0.548551     0.493975  1.30617     257.717     12.4033     77.7167     
1 1 1 2  31 19 o 20.6124 5.04961 0.908636     0.724667  1.30575      0.631715  8.82865     197.41      7.78711     17.4098     
1 1 1 2  31 20 o 16.5747 4.30269 1.40833      0.659897  -0.541436    0.531695  2.86353     243.638     0.0383259   63.6383     
1 1 1 2  31 21 o 26.4691 4.87338 1.19956      0.709615  2.4823       0.719142  17.2633     175.957     1.00799     175.957     
1 1 1 2  31 22 o 13.2127 4.10593 0.0559471    0.545926  0.229909     0.542577  0.912197    262.084     7.32952     82.0843     
1 1 1 2  31 23 o 18.6128 5.11697 1.21876      0.782865  0.628711     0.638921  1.98082     315         19.2509     135         
1 1 1 2  31 24 o 16.1694 4.37417 1.04376      0.55614   -0.267453    0.67407   5.16059     316.293     2.35386     136.293     
1 1 1 2  31 25 o 18.7475 4.79541 1.22687      0.613201  0.602443     0.638069  9.08797     46.1808     0.0456888   226.181     
1 1 1 2  31 26 o 25.7077 4.97049 1.91589      0.672942  1.67402      0.695367  16.0012     33.4972     1.05838     213.497     
1 1 1 2  31 27 o 13.0102 3.98523 0.540439     0.535321  -0.352153    0.524994  2.33241     103.118     3.56211     283.118     
1 1 1 2  31 28 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  32 0  o 17.9382 4.70382 0.862882     0.405943  0.862882     0.405943  8.61087     5.16329e-06 8.28074     180         
1 1 1 2  32 1  o 12.1953 3.45389 0.025001     0.343882  0.365363     0.34277   0.888364    58.2913     1.5474      238.291     
1 1 1 2  32 2  o 29.2641 3.33488 1.905        0.485462  1.73441      0.490653  24.0216     304.654     8.63033     304.654     
1 1 1 2  32 3  o 16.5653 3.74652 0.760469     0.376642  0.446964     0.365214  5.41066     254.926     1.31825     254.926     
1 1 1 2  32 4  o 16.3721 3.78735 0.521717     0.373212  0.660289     0.370889  7.0053      204.482     3.20694     24.482      
1 1 1 2  32 5  o 10.3584 3.4453  -0.272682    0.474135  -0.369815    0.475454  2.17607     265.707     13.4633     265.707     
1 1 1 2  32 6  o 14.9507 4.16681 0.566412     0.486763  0.270993     0.475253  4.78381     135.726     5.04278     315.726     
1 1 1 2  32 7  o 20.1918 4.5589  1.18311      0.547448  0.799733     0.546531  7.5388      180.946     11.1692     0.946009    
1 1 1 2  32 8  o 25.0388 4.66562 1.47043      0.561458  1.60981      0.667937  19.185      226.197     7.64043     226.197     
1 1 1 2  32 9  o 30.4294 4.53907 1.93139      0.64806   2.51475      0.741122  23.0068     152.517     4.86798     152.517     
1 1 1 2  32 10 o 15.037  4.3893  0.576954     0.565487  0.193971     0.561474  2.11398     115.748     0.465009    295.748     
1 1 1 2  32 11 o 20.2592 4.94144 1.20171      0.649468  0.921648     0.614377  1.82242     225.084     0.973319    225.084     
1 1 1 2  32 12 o 31.3944 4.42501 2.57468      0.75037   2.117        0.640411  22.4205     65.6619     2.30389     65.6619     
1 1 1 2  32 13 o 17.4294 4.44755 1.18872      0.601355  0.20246      0.503507  6.67773     64.3678     4.41685     244.368     
1 1 1 2  32 14 o 16.5488 4.527   0.905456     0.607872  0.323117     0.517366  4.78994     115.528     7.15837     295.528     
1 1 1 2  32 15 o 29.4814 4.60672 2.59782      0.741614  1.71057      0.636471  23.2869     71.0069     9.6226      71.0069     
1 1 1 2  32 16 o 12.0949 3.87301 -0.274142    0.621162  0.109546     0.454507  0.117215    350.286     3.07451     170.286     
1 1 1 2  32 17 o 32.9523 4.1783  3.02411      0.686044  2.06829      0.677101  24.4748     312.055     4.84979     312.055     
1 1 1 2  32 18 o 25.7177 4.49123 0.801822     0.599814  2.63909      0.704032  18.0138     44.1454     4.63582     44.1454     
1 1 1 2  32 19 o 15.593  4.52341 0.438478     0.669765  0.546316     0.51681   3.9568      39.1346     2.19048     219.135     
1 1 1 2  32 20 o 27.1804 4.92609 1.87455      0.726848  2.01593      0.671654  17.2646     284.16      0.69971     104.16      
1 1 1 2  32 21 o 26.7651 4.75746 1.41924      0.708247  2.36422      0.660513  20.569      111.896     8.52582     111.896     
1 1 1 2  32 22 o 12.6868 4.04665 -0.174412    0.657839  0.197797     0.501688  1.36241     224.806     2.43759     44.8061     
1 1 1 2  32 23 o 13.4511 4.34417 -0.208523    0.677669  0.281398     0.685325  2.66022     44.8611     2.99294     224.861     
1 1 1 2  32 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  33 0  o 9.09235 3.92136 0.190423     0.348787  0.190423     0.348787  0.148027    359.998     0.558237    359.998     
1 1 1 2  33 1  o 21.8862 3.85239 1.24434      0.445459  0.964447     0.428821  10.092      113.98      7.09715     293.981     
1 1 1 2  33 2  o 32.0751 3.14575 2.12107      0.505164  2.23934      0.512595  23.9425     253.917     4.97738     253.917     
1 1 1 2  33 3  o 30.4091 3.22386 1.81188      0.467731  2.14549      0.517685  23.6665     162.31      7.73458     162.31      
1 1 1 2  33 4  o 15.7321 4.42413 0.553695     0.592462  0.49179      0.48895   3.66992     244.377     6.37368     64.3766     
1 1 1 2  33 5  o 16.2531 4.61537 0.479157     0.568384  0.666074     0.619402  4.2903      194.695     4.57582     14.6946     
1 1 1 2  33 6  o 19.4897 4.55599 1.04398      0.537465  0.849235     0.537749  7.59981     343.501     7.11038     163.501     
1 1 1 2  33 7  o 14.9721 4.08105 0.779184     0.48718   -0.000599913 0.489143  2.92818     338.052     3.77045     158.052     
1 1 1 2  33 8  o 12.9172 3.95605 0.242416     0.440145  0.0423059    0.551102  0.655467    296.515     2.81085     116.515     
1 1 1 2  33 9  o 20.2192 4.93228 1.34213      0.641925  0.786851     0.649029  10.0747     111.355     1.01889     291.355     
1 1 1 2  33 10 o 17.1411 4.77879 0.4509       0.621855  0.915523     0.647786  5.8816      280.038     4.2528      100.038     
1 1 1 2  33 11 o 13.1815 4.08545 0.472056     0.568276  -0.332797    0.551216  0.68519     302.068     9.74762     122.068     
1 1 1 2  33 12 o 15.5276 4.31235 0.14272      0.586885  0.759871     0.502125  3.78982     42.4612     1.84216     222.461     
1 1 1 2  33 13 o 22.077  4.86733 1.17323      0.680741  1.41442      0.578928  13.1102     247.944     0.858298    247.944     
1 1 1 2  33 14 o 14.2995 4.04079 0.0793838    0.454618  0.664383     0.489507  1.77667     311.917     1.04299     131.917     
1 1 1 2  33 15 o 17.1829 4.46423 0.566616     0.524335  0.893304     0.532822  7.14438     315.119     1.46074     135.119     
1 1 1 2  33 16 o 20.3173 4.4369  1.51609      0.553918  0.577603     0.573741  11.9772     149.377     2.2892      149.377     
1 1 1 2  33 17 o 22.1051 4.6696  0.72962      0.574257  1.89596      0.657281  13.7927     214.173     1.32395     214.173     
1 1 1 2  33 18 f 17.6796 4.6776  0.962647     0.601924  0.649759     0.559335  8.89414     351.549     0           0           
1 1 1 2  33 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  33 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  34 0  o 9.40108 3.99401 0.229807     0.35063   0.229807     0.35063   1.29592     180         6.88272     180         
1 1 1 2  34 1  o 16.2768 3.56584 0.0783878    0.385431  1.04087      0.397898  5.76951     353.585     5.4772      173.585     
1 1 1 2  34 2  o 10.233  3.16467 0.102094     0.310329  -0.0457491   0.33309   1.18359     102.935     8.59297     102.935     
1 1 1 2  34 3  o 19.9148 4.47453 1.39875      0.558145  0.630914     0.539295  10.6335     310.753     3.67398     310.753     
1 1 1 2  34 4  f 10.8192 3.51252 -0.521233    0.528514  0.0859371    0.419041  4.72967     183.423     0           0           
1 1 1 2  34 5  o 12.4683 3.93506 -0.38941     0.530957  0.377385     0.547751  1.32609     85.1546     4.19262     265.155     
1 1 1 2  34 6  o 31.6393 4.30966 3.42208      0.696674  1.56614      0.662021  24.4115     271.412     7.20671     271.412     
1 1 1 2  34 7  o 19.8206 4.60522 1.29261      0.559814  0.746446     0.574146  10.8837     172.791     0.162005    352.791     
1 1 1 2  34 8  o 19.1771 4.8288  0.779372     0.562773  1.20477      0.651342  10.1363     84.5166     0.00249671  264.515     
1 1 1 2  34 9  o 16.7795 4.63653 0.13795      0.611226  1.11692      0.642589  7.05463     290.609     1.60457     110.609     
1 1 1 2  34 10 o 19.3912 5.13238 0.958667     0.695195  1.1533       0.699545  10.6302     314.392     2.15174     314.392     
1 1 1 2  34 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  34 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 2  34 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  0  1  o 84.5795 1.86587 13.1502      0.816239  13.1502      0.816239  7.76495     90          124.921     270         
1 1 1 3  0  2  f 43.4699 1.89731 3.50294      0.423748  3.50294      0.423748  9.96678     180         0           0           
1 1 1 3  0  3  o 95.6124 1.87248 16.7943      0.926419  16.7943      0.926419  47.8373     89.9999     15.7102     270         
1 1 1 3  0  4  o 168.448 1.9446  52.0503      1.69694   52.0503      1.69694   153.324     6.67145e-05 119.526     6.67145e-05 
1 1 1 3  0  5  o 186.7   1.97964 63.9333      1.91488   63.9333      1.91488   97.8683     90          165.702     270         
1 1 1 3  0  6  o 196.795 2.13461 71.0387      2.17637   71.0387      2.17637   221.078     180         61.997      180         
1 1 1 3  0  7  o 213.71  2.34885 83.7818      2.6006    83.7818      2.6006    212.008     90          185.352     90          
1 1 1 3  0  8  o 223.778 2.37598 91.8611      2.75467   91.8611      2.75467   300.564     360         169.983     360         
1 1 1 3  0  9  o 198.492 2.02679 72.2676      2.08438   72.2676      2.08438   195.171     90          7.60889     90          
1 1 1 3  0  10 o 252.799 2.27456 117.218      2.97951   117.218      2.97951   232.868     1.05489e-06 21.2694     180         
1 1 1 3  0  11 o 278.814 2.51894 142.6        3.63918   142.6        3.63918   359.87      90          183.37      90          
1 1 1 3  0  12 o 5.23807 2.51286 -0.109964    0.204536  -0.109964    0.204536  52.6858     1.33604e-05 105.701     1.33604e-05 
1 1 1 3  0  13 o 279.443 2.20118 143.203      3.18756   143.203      3.18756   309.297     90          82.6996     90          
1 1 1 3  0  14 o 542.439 2.90719 539.548      8.17333   539.548      8.17333   630.999     2.04318e-06 223.594     2.04318e-06 
1 1 1 3  0  15 o 149.965 2.01442 41.2667      1.56465   41.2667      1.56465   162.803     90          48.5342     90          
1 1 1 3  0  16 o 282.317 2.22913 146.147      3.26123   146.147      3.26123   361.627     180         184.944     180         
1 1 1 3  0  17 o 713.749 3.48117 934.111      12.8782   934.111      12.8782   720.609     90          83.2041     90          
1 1 1 3  0  18 o 815.118 3.84157 1218.39      16.2299   1218.39      16.2299   935.693     4.45079e-06 324.068     4.45079e-06 
1 1 1 3  0  19 o 483.441 3.18128 428.581      7.97061   428.581      7.97061   568.625     270         221.777     270         
1 1 1 3  0  20 o 48.2028 3.4105  4.38639      0.831097  4.38639      0.831097  6.07102     1.72547e-05 18.9753     1.72547e-05 
1 1 1 3  0  21 o 760.156 4.22626 1059.93      16.6506   1059.93      16.6506   703.096     270         25.7301     90          
1 1 1 3  0  22 o 221.094 2.17574 89.6569      2.49244   89.6569      2.49244   214.191     360         13.0938     360         
1 1 1 3  0  23 o 305.184 2.32946 170.799      3.68412   170.799      3.68412   370.791     270         170.019     270         
1 1 1 3  0  24 o 207.432 2.1708  78.9325      2.33298   78.9325      2.33298   89.2422     7.72569e-07 208.805     180         
1 1 1 3  0  25 o 37.9116 2.76203 2.71845      0.528447  2.71845      0.528447  22.5348     90          57.4626     90          
1 1 1 3  0  26 o 172.528 2.48695 54.6511      2.22204   54.6511      2.22204   199.303     180         80.1282     180         
1 1 1 3  0  27 o 87.4562 2.78908 14.1149      1.25852   14.1149      1.25852   47.1469     270         56.0197     90          
1 1 1 3  0  28 o 272.133 2.65994 135.927      3.75057   135.927      3.75057   200.782     180         99.6227     8.66311e-06 
1 1 1 3  0  29 o 59.2242 2.37989 6.4956       0.725173  6.4956       0.725173  37.0316     270         15.5618     90          
1 1 1 3  0  30 f 171.883 2.17228 54.2389      1.93404   54.2389      1.93404   109.043     1.83131e-08 0           0           
1 1 1 3  0  31 o 63.744  2.35025 7.51495      0.771728  7.51495      0.771728  53.7418     90          3.12266     90          
1 1 1 3  0  32 o 34.5756 3.05577 2.29539      0.524568  2.29539      0.524568  5.0216      180         46.4128     180         
1 1 1 3  0  33 o 256.112 2.30787 120.409      3.06277   120.409      3.06277   262.552     270         62.7912     270         
1 1 1 3  0  34 o 190.342 2.23617 66.5286      2.20496   66.5286      2.20496   144.327     180         53.4248     8.65114e-06 
1 1 1 3  0  35 o 165.383 2.23266 50.2424      1.91244   50.2424      1.91244   200.067     90          104.256     90          
1 1 1 3  0  36 o 301.985 2.4209  167.463      3.7885    167.463      3.7885    337.374     2.29861e-06 137.003     2.29861e-06 
1 1 1 3  0  37 o 156.247 2.26044 44.8678      1.82905   44.8678      1.82905   139.776     270         2.65625     270         
1 1 1 3  0  38 o 34.3962 3.43575 2.30277      0.577413  2.30277      0.577413  4.89369     0           10.2779     180         
1 1 1 3  0  39 o 12.9029 4.95523 0.4356       0.466558  0.4356       0.466558  7.85096     90          18.1208     90          
1 1 1 3  0  40 o 101.473 2.33436 18.9873      1.22492   18.9873      1.22492   69.9214     2.32795e-06 37.2732     180         
1 1 1 3  0  41 o 166.96  2.65871 51.4145      2.29835   51.4145      2.29835   160.489     270         31.1069     270         
1 1 1 3  0  42 f 182.97  2.67465 61.7994      2.53431   61.7994      2.53431   108.239     180         0           0           
1 1 1 3  0  43 o 117.756 2.51587 25.6431      1.53251   25.6431      1.53251   82.2398     270         37.7184     90          
1 1 1 3  0  44 o 14.794  5.15054 0.608355     0.471443  0.608355     0.471443  9.33453     180         36.3852     180         
1 1 1 3  0  45 o 16.7583 5.23233 0.763108     0.477434  0.763108     0.477434  0.434514    89.9997     1.03781     270         
1 1 1 3  0  46 o 85.7075 2.43763 13.6646      1.07898   13.6646      1.07898   72.6562     1.42551e-06 0.707336    1.4255e-06  
1 1 1 3  0  47 o 99.226  2.80588 18.3994      1.43794   18.3994      1.43794   90.1637     270         13.9352     270         
1 1 1 3  0  48 o 10.8319 4.75069 0.182956     0.532346  0.182956     0.532346  0.611213    180         7.20123     180         
1 1 1 3  0  49 o 6.15271 3.09087 -0.5488      0.420887  -0.5488      0.420887  4.80148     90.0001     11.8732     90.0001     
1 1 1 3  0  50 f 25.56   4.9951  1.50146      0.572326  1.50146      0.572326  19.8926     180         0           0           
1 1 1 3  0  51 o 5.45632 2.79389 -0.807201    0.421613  -0.807201    0.421613  5.1658      90          12.1754     90          
1 1 1 3  0  52 o 53.1805 2.92074 5.4208       0.793673  5.4208       0.793673  54.9856     8.87888e-12 23.6498     8.87888e-12 
1 1 1 3  0  53 o 9.24122 4.2586  0.0126776    0.495386  0.0126776    0.495386  0.687218    270         4.92139     270         
1 1 1 3  0  54 o 6.13773 3.10449 -0.645594    0.453031  -0.645594    0.453031  5.63049     180         15.1609     180         
1 1 1 3  0  55 o 6.96568 3.46186 -0.456901    0.483147  -0.456901    0.483147  1.20077     90.0001     4.15427     90.0001     
1 1 1 3  0  56 o 21.7713 5.80833 1.32578      0.613751  1.32578      0.613751  5.65742     360         23.0116     180         
1 1 1 3  0  57 o 17.9942 5.92729 1.0399       0.614687  1.0399       0.614687  6.71845     89.9999     2.93073     89.9999     
1 1 1 3  0  58 o 27.7955 6.11403 2.07313      0.771869  2.07313      0.771869  27.1695     1.91739e-08 11.6436     1.91739e-08 
1 1 1 3  0  59 o 11.9499 5.26379 0.401908     0.660678  0.401908     0.660678  1.89989     270         6.31204     90          
1 1 1 3  0  60 o 17.329  5.95555 1.0431       0.627255  1.0431       0.627255  7.52257     360         1.09186     360         
1 1 1 3  0  61 o 17.4706 6.04365 1.08168      0.647487  1.08168      0.647487  8.94046     270         0.0761242   90          
1 1 1 3  0  62 o 11.8389 5.233   0.439958     0.658831  0.439958     0.658831  1.2282      360         4.00308     180         
1 1 1 3  0  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  1  0  o 575.335 3.42599 607.006      10.2157   607.006      10.2157   575.852     270         36.3223     270         
1 1 1 3  1  1  o 547.953 3.10096 559.226      9.43034   542.095      8.15748   499.161     229.651     56.2241     49.6508     
1 1 1 3  1  2  o 321.205 2.30682 192.282      3.972     186.046      3.70876   348.886     182.949     91.9725     182.949     
1 1 1 3  1  3  o 417.468 2.57469 329.049      5.38551   310.174      5.73799   344.306     249.629     110.882     69.6293     
1 1 1 3  1  4  o 259.898 2.26795 123.28       2.82973   124.392      3.26727   205.069     334.098     78.0381     154.098     
1 1 1 3  1  5  o 222.852 2.20372 91.9907      2.35688   90.1111      2.71773   173.697     161.03      65.9869     341.03      
1 1 1 3  1  6  o 89.7745 1.89114 14.9461      0.878738  14.63        0.879318  31.0113     223.807     42.1867     43.8075     
1 1 1 3  1  7  o 188.039 1.99256 65.0476      1.94283   64.5993      1.94152   131.685     165.802     79.6451     345.802     
1 1 1 3  1  8  o 253.875 2.11361 119.069      2.78257   117.28       2.78028   266.198     275.404     63.2258     275.404     
1 1 1 3  1  9  o 61.5503 1.95157 7.0214       0.621835  6.89889      0.620279  4.88262     172.674     34.2003     172.674     
1 1 1 3  1  10 o 147.538 1.96436 38.1634      1.49773   41.7022      1.50497   128.146     318.046     10.1084     318.046     
1 1 1 3  1  11 o 216.23  2.06897 85.477       2.31966   86.0012      2.31833   222.93      22.6452     55.2158     22.6452     
1 1 1 3  1  12 o 265.847 2.16353 131.739      2.98452   127.484      2.97786   289.675     7.9395      89.6207     7.9395      
1 1 1 3  1  13 o 179.298 2.10329 60.1466      1.88928   57.756       2.01516   150.383     65.4388     17.927      245.439     
1 1 1 3  1  14 o 195.362 2.21592 69.3951      2.07871   70.5611      2.40032   188.856     338.678     30.2359     338.678     
1 1 1 3  1  15 o 490.309 2.84931 448.01       6.99929   433.729      7.46752   475.163     314.687     22.6454     314.687     
1 1 1 3  1  16 o 298.977 2.26027 164.72       3.50391   163.023      3.50183   241.754     140.507     73.6518     320.507     
1 1 1 3  1  17 o 294.323 2.41271 157.476      3.67753   160.157      3.68423   260.533     329.656     24.7009     149.656     
1 1 1 3  1  18 o 41.6458 2.54986 3.19354      0.581985  3.21379      0.504705  13.9858     326.84      37.0345     326.84      
1 1 1 3  1  19 o 262.351 2.96147 127.408      4.24437   125.026      3.80208   272.859     147.595     68.6827     147.595     
1 1 1 3  1  20 o 343.25  2.76611 217.604      4.92008   214.494      4.92301   341.965     165.189     49.2521     165.189     
1 1 1 3  1  21 f 34.4903 3.05077 2.42531      0.535322  2.01597      0.528103  43.0122     175.038     0           0           
1 1 1 3  1  22 o 125.577 2.18319 28.5882      1.46582   29.259       1.37236   92.3949     155.755     8.36749     335.755     
1 1 1 3  1  23 o 225.277 2.18829 93.5076      2.55638   92.6053      2.55432   141.659     128.103     124.381     308.103     
1 1 1 3  1  24 o 126.184 2.11645 29.4462      1.38622   28.9503      1.38241   100.234     90.9901     10.4412     90.9901     
1 1 1 3  1  25 o 73.5305 2.23653 10.009       0.850091  9.86123      0.850796  7.99481     197.482     17.9549     17.4817     
1 1 1 3  1  26 o 173.871 2.29713 56.281       2.07334   54.6445      2.06712   166.271     172.773     34.939      172.773     
1 1 1 3  1  27 o 82.5506 2.79253 12.9155      1.19938   12.1693      1.1832    33.1365     27.1703     52.5857     207.17      
1 1 1 3  1  28 o 16.5608 3.77531 -0.206019    0.432276  0.913337     0.452131  66.5237     193.486     142.169     193.486     
1 1 1 3  1  29 o 100.893 2.34211 18.6327      1.22168   18.7803      1.22477   20.6854     335.166     135.971     155.166     
1 1 1 3  1  30 o 47.3228 2.5247  4.14002      0.619147  4.13265      0.610319  12.9371     209.673     5.57951     29.6726     
1 1 1 3  1  31 o 154.43  2.16889 44.7199      1.74124   42.86        1.73079   147.735     320.771     22.5298     320.771     
1 1 1 3  1  32 o 65.0103 2.36093 7.02443      0.784448  8.58175      0.796377  48.06       148.12      18.3288     148.12      
1 1 1 3  1  33 f 155.916 2.20092 45.2948      1.78233   44.0011      1.77508   174.58      176.505     0           0           
1 1 1 3  1  34 o 126.446 2.21792 29.8282      1.45633   28.9287      1.44978   155.112     233.36      97.3293     233.36      
1 1 1 3  1  35 o 72.8161 2.38871 10.5128      0.902621  9.04507      0.892486  43.4294     300.025     34.1518     120.025     
1 1 1 3  1  36 o 64.605  2.4807  7.3567       0.821637  8.04601      0.832802  37.7141     161.059     29.406      341.059     
1 1 1 3  1  37 o 66.524  2.47664 8.26074      0.853109  8.06686      0.848882  35.4461     31.5519     37.508      211.552     
1 1 1 3  1  38 o 66.2782 2.48395 8.07083      0.850285  8.14932      0.850372  51.4305     302.631     0.0689304   302.629     
1 1 1 3  1  39 o 49.8233 2.73899 4.63104      0.705341  4.58337      0.698321  18.0351     155.601     41.8534     335.601     
1 1 1 3  1  40 o 140.057 2.28281 36.6258      1.65967   35.6961      1.65481   127.981     299.732     14.8338     299.732     
1 1 1 3  1  41 o 116.312 2.81933 24.6356      1.76688   25.5622      1.62113   79.8251     157.926     40.0783     337.926     
1 1 1 3  1  42 o 99.4318 2.85352 16.4381      1.37424   20.4654      1.56249   82.5279     315.343     3.74017     135.343     
1 1 1 3  1  43 o 20.1399 4.32839 0.567076     0.505508  0.972092     0.498058  1.67821     330.219     6.67129     150.219     
1 1 1 3  1  44 o 72.1635 2.48054 9.31114      0.925409  10.1128      0.923451  65.2327     82.6383     10.8304     82.6383     
1 1 1 3  1  45 o 33.7391 3.53221 1.46289      0.564918  3.08193      0.577042  25.1569     279.168     0.542309    99.1678     
1 1 1 3  1  46 o 61.2254 2.625   6.39565      0.825133  7.75102      0.827021  46.7016     14.177      7.63296     194.177     
1 1 1 3  1  47 o 27.5429 4.2299  2.63642      0.647105  0.544142     0.627377  23.7583     173.827     9.64038     173.827     
1 1 1 3  1  48 o 25.7749 4.80843 1.72981      0.699518  1.05459      0.619672  12.1405     274.588     15.0047     94.588      
1 1 1 3  1  49 o 21.4345 4.35475 1.44667      0.565146  0.395537     0.546124  14.5559     253.212     1.86564     253.212     
1 1 1 3  1  50 o 82.083  2.5539  11.9716      1.07578   13.6782      1.08915   75.0559     248.831     16.4539     248.831     
1 1 1 3  1  51 o 56.9788 2.82567 6.80503      0.835294  5.74808      0.81949   53.3204     66.2961     15.6187     66.2961     
1 1 1 3  1  52 o 14.7178 4.1903  0.37637      0.49147   0.175217     0.496307  4.32241     8.14344     6.0939      188.143     
1 1 1 3  1  53 o 43.2047 3.26588 3.99469      0.718422  3.48935      0.718151  35.0053     123.803     2.43176     123.803     
1 1 1 3  1  54 o 18.0311 4.1474  -0.121785    0.521581  1.27234      0.549254  11.2076     151.636     0.749812    151.636     
1 1 1 3  1  55 o 30.736  4.23725 2.86774      0.671913  1.43119      0.62845   28.1368     186.062     10.9987     186.062     
1 1 1 3  1  56 o 13.6155 4.15773 0.250642     0.539903  0.0644013    0.535837  1.39411     76.1311     0.247655    256.131     
1 1 1 3  1  57 o 28.6877 4.64912 1.95732      0.670086  2.01998      0.682991  22.107      70.9536     3.24852     70.9536     
1 1 1 3  1  58 o 14.0492 4.48539 0.114666     0.71074   0.097169     0.677603  3.9482      241.457     5.04038     61.4571     
1 1 1 3  1  59 o 15.4649 4.56279 0.0220795    0.625942  0.839206     0.647954  2.28349     22.9807     14.9579     202.981     
1 1 1 3  1  60 o 11.3086 3.73551 0.0137499    0.561776  -0.426567    0.526399  0.0399742   306.158     5.8803      306.159     
1 1 1 3  1  61 o 14.5039 4.42494 0.66477      0.610814  -0.071609    0.663949  1.82844     59.9196     11.9785     239.92      
1 1 1 3  1  62 o 22.4056 4.52872 0.102955     0.678306  2.67877      0.753221  15.6696     249.364     3.87871     249.364     
1 1 1 3  1  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  2  0  o 428.865 2.69161 337.238      5.98254   337.238      5.98254   436.803     90          42.8244     90          
1 1 1 3  2  1  o 567.71  3.27876 576.719      9.98553   605.646      9.27707   544.307     347.614     3.30045     167.614     
1 1 1 3  2  2  o 572     3.47141 587.473      11.0783   612.892      9.39943   557.937     13.1837     15.9421     13.1836     
1 1 1 3  2  3  o 384.692 2.58221 277.731      5.5145    265.026      4.77223   354.291     56.0259     24.9812     236.026     
1 1 1 3  2  4  o 570.222 2.9528  604.093      8.73471   588.523      8.72011   642.697     176.69      191.307     176.69      
1 1 1 3  2  5  o 517.047 2.88493 498.738      7.47353   481.858      7.97224   511.708     141.613     32.2451     141.613     
1 1 1 3  2  6  o 574.999 3.22203 620.244      8.88873   592.827      10.2365   572.012     159.51      40.6903     159.51      
1 1 1 3  2  7  o 181.379 2.15167 63.7882      1.87233   56.9458      2.14421   108.675     59.1111     113.594     239.111     
1 1 1 3  2  8  o 81.6114 1.92027 11.9599      0.810459  12.4925      0.81171   2.02041     104.348     119.252     104.348     
1 1 1 3  2  9  o 136.093 1.94495 32.6576      1.36943   35.2883      1.3733    56.1246     272.735     126.135     92.7347     
1 1 1 3  2  10 o 131.716 1.95126 30.2443      1.3275    33.4192      1.33487   112.314     275.723     27.8576     275.723     
1 1 1 3  2  11 o 180.788 2.0127  59.4021      1.88509   60.4654      1.88713   57.2787     348.115     217.68      168.115     
1 1 1 3  2  12 o 225.536 2.09083 91.2885      2.44298   95.2758      2.44494   120.904     327.317     177.11      147.317     
1 1 1 3  2  13 o 41.6186 2.14428 3.19608      0.459697  3.18935      0.459142  53.0629     175.862     136.407     175.862     
1 1 1 3  2  14 o 245.792 2.13949 112.272      2.72763   109.259      2.72383   302.337     163.46      164.95      163.46      
1 1 1 3  2  15 o 154.214 2.01736 44.4036      1.61404   42.7971      1.61088   98.9302     347.489     71.9591     167.489     
1 1 1 3  2  16 o 167.982 2.04415 50.5847      1.77646   52.8841      1.78291   180.34      277.067     88.4669     277.067     
1 1 1 3  2  17 o 277.929 2.22564 140.837      3.20502   142.378      3.20775   299.934     332.322     90.9165     332.322     
1 1 1 3  2  18 o 315.057 2.3924  188.29       4.04596   175.776      3.76937   242.531     109.262     100.797     289.262     
1 1 1 3  2  19 o 105.125 2.61332 21.1185      1.42453   19.4742      1.41766   58.3364     298.261     2.86464     298.261     
1 1 1 3  2  20 o 484.74  3.35154 430.791      8.0191    431.182      8.80563   551.369     204.566     199.258     204.566     
1 1 1 3  2  21 o 159.223 2.46573 47.7193      1.86282   45.2668      2.18497   146.488     128.575     28.8336     128.575     
1 1 1 3  2  22 f 348.588 2.69001 224.666      4.67518   221.033      5.03626   287.278     358.788     0           0           
1 1 1 3  2  23 o 68.4756 2.3346  8.0739       0.844609  9.18099      0.801759  31.7738     231.399     156.465     231.399     
1 1 1 3  2  24 o 248.608 2.31022 112.419      3.07224   114.29       2.87706   285.789     267.869     131.568     267.869     
1 1 1 3  2  25 o 158.92  2.31048 45.234       2.02782   47.4309      1.76242   97.0533     59.9797     81.31       239.98      
1 1 1 3  2  26 o 179.181 2.48388 59.4735      2.30891   58.3515      2.30503   165.88      89.9522     21.2257     89.9522     
1 1 1 3  2  27 f 194.339 2.75035 66.7969      2.76259   71.9286      2.77629   199.598     154.499     0           0           
1 1 1 3  2  28 o 99.3996 2.32015 18.5023      1.19633   17.8085      1.19105   77.5452     191.615     5.49863     11.6151     
1 1 1 3  2  29 o 234.467 2.40302 102.696      2.92198   99.1811      2.91858   267.087     156.657     111.361     156.657     
1 1 1 3  2  30 f 160.037 2.17275 47.1314      1.80272   46.8992      1.80216   133.965     93.5036     0           0           
1 1 1 3  2  31 o 86.2935 2.23836 12.9699      0.99546   14.433       1.00177   52.3742     57.8099     41.085      237.81      
1 1 1 3  2  32 o 176.102 2.20037 56.3586      2.00831   57.5419      2.00871   141.985     351.749     29.2055     171.749     
1 1 1 3  2  33 o 299.535 2.39209 163.69       3.71014   165.995      3.718     302.18      300.276     68.0476     300.276     
1 1 1 3  2  34 o 125.854 2.21651 29.4542      1.44921   28.7534      1.44155   88.4162     233.54      43.0898     53.5404     
1 1 1 3  2  35 o 120.541 2.2398  27.0381      1.40156   26.3913      1.39496   116.221     275.297     24.4677     275.297     
1 1 1 3  2  36 o 29.2523 3.66609 1.20306      0.520408  2.104        0.538167  11.6721     124.088     58.2518     124.088     
1 1 1 3  2  37 o 30.8694 3.49648 1.55991      0.536027  2.06278      0.5383    16.3368     72.8647     73.5088     72.8647     
1 1 1 3  2  38 f 54.3937 2.6359  5.9874       0.74658   4.98786      0.727532  43.9182     158.124     0           0           
1 1 1 3  2  39 o 111.091 2.29735 23.1081      1.32235   22.389       1.32045   103.266     249.784     17.8737     249.784     
1 1 1 3  2  40 o 57.0124 2.8042  5.59186      0.821595  6.50355      0.821625  50.7698     245.764     11.5339     245.764     
1 1 1 3  2  41 o 80.9333 2.92093 11.321       1.2589    13.0709      1.17019   77.6536     195.894     19.4063     195.894     
1 1 1 3  2  42 o 35.1479 3.65427 2.55893      0.626973  2.17152      0.657626  19.895      276.338     12.5605     96.3382     
1 1 1 3  2  43 o 88.5902 2.56114 14.9941      1.18022   14.2132      1.16673   71.5938     212.191     5.82804     32.191      
1 1 1 3  2  44 o 39.2286 3.05452 2.69185      0.610625  3.15224      0.606918  25.6309     285.659     10.1627     105.659     
1 1 1 3  2  45 o 28.7181 3.84437 1.43358      0.566648  1.82076      0.531576  20.7213     176.713     10.2175     176.713     
1 1 1 3  2  46 o 77.124  2.67929 11.6193      1.07748   10.7906      1.05771   65.2715     189.414     2.4416      189.414     
1 1 1 3  2  47 o 48.8742 3.44329 3.86267      0.81031   5.43211      0.903707  44.4915     240.303     9.96356     240.303     
1 1 1 3  2  48 o 45.0545 3.19626 4.26667      0.745689  3.57461      0.723701  46.1684     25.8564     20.7759     25.8564     
1 1 1 3  2  49 f 21.9875 4.53154 0.857445     0.543793  1.14605      0.558693  16.7148     152.759     0           0           
1 1 1 3  2  50 o 47.6707 2.95074 4.39416      0.725165  4.39236      0.718408  41.6644     124.153     7.34074     124.153     
1 1 1 3  2  51 o 20.7434 4.45092 0.977726     0.52658   0.833672     0.51583   10.1521     158.76      8.57003     338.76      
1 1 1 3  2  52 o 22.3332 4.45017 1.32649      0.551346  0.817687     0.543743  14.7813     170.112     1.17863     350.112     
1 1 1 3  2  53 o 25.8117 3.72487 2.88581      0.616431  0.0705028    0.549088  9.75762     1.73491     19.7037     181.735     
1 1 1 3  2  54 o 20.4329 4.28289 0.318095     0.538615  1.46492      0.553225  15.0617     337.069     4.28589     337.069     
1 1 1 3  2  55 o 52.6282 3.05981 5.25693      0.820665  5.98056      0.83144   42.5477     341.731     2.88053     341.731     
1 1 1 3  2  56 o 10.5912 3.52151 -0.422118    0.507909  -0.270545    0.484406  3.1512      141.18      18.2941     141.18      
1 1 1 3  2  57 o 22.1369 5.00306 0.73439      0.66464   1.79989      0.713234  14.5039     81.6196     0.062789    261.619     
1 1 1 3  2  58 o 16.8235 4.75699 1.02318      0.660441  0.11896      0.681721  8.01865     218.809     0.719284    38.8088     
1 1 1 3  2  59 o 16.6142 4.64186 0.355998     0.575644  0.949239     0.632231  5.05164     23.1897     1.13055     23.1897     
1 1 1 3  2  60 o 16.2672 4.55867 1.20436      0.667339  -0.11731     0.598415  5.4125      228.202     1.77249     48.2015     
1 1 1 3  2  61 o 13.3762 4.09211 -0.623589    0.586879  0.706215     0.581407  1.90812     133.414     7.3373      313.414     
1 1 1 3  2  62 o 18.8083 4.88751 1.68098      0.713492  0.34318      0.676443  9.54362     345.594     3.15413     165.594     
1 1 1 3  2  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  3  0  o 266.353 2.4502  130.112      3.38162   130.112      3.38162   244.59      90          26.1229     270         
1 1 1 3  3  1  o 473.848 2.94998 416.334      7.52835   407.212      6.95775   375.968     134.217     156.811     314.217     
1 1 1 3  3  2  o 175.29  2.08698 58.1112      1.89801   54.5776      1.89333   200.057     85.4996     121.059     85.4996     
1 1 1 3  3  3  o 183.516 2.10639 58.9829      1.99873   64.5656      2.00603   125.58      291.48      82.9208     111.48      
1 1 1 3  3  4  o 79.9178 2.0234  10.5154      0.829632  12.9985      0.837768  13.9012     67.0986     53.5345     247.099     
1 1 1 3  3  5  o 375.561 2.38036 262.88       4.63722   254.398      4.6299    373.071     177.578     33.129      177.578     
1 1 1 3  3  6  o 116.79  1.9098  23.5314      1.15236   26.5259      1.15716   46.6279     194.902     101.557     14.9018     
1 1 1 3  3  7  o 81.2822 1.90359 11.495       0.798592  12.7743      0.801752  15.6252     299.178     25.1923     119.178     
1 1 1 3  3  8  o 383.132 2.4993  270.914      5.12882   267.562      4.7947    270.584     256.883     187.895     76.883      
1 1 1 3  3  9  o 128.55  2.08749 30.5414      1.48562   30.0661      1.29102   70.5517     205.792     76.0426     25.7919     
1 1 1 3  3  10 o 86.0495 2.0016  13.9089      0.920987  13.2792      0.862223  18.0016     115.221     171.11      115.221     
1 1 1 3  3  11 o 172.864 2.0055  53.6167      1.79467   55.9804      1.79888   147.42      217.774     9.84653     37.7739     
1 1 1 3  3  12 o 181.199 2.09752 61.5654      1.90508   58.8529      2.02963   179.686     83.5145     43.4177     83.5145     
1 1 1 3  3  13 o 292.839 2.39885 156.91       3.37827   157.574      3.88763   235.479     356.027     76.2421     176.027     
1 1 1 3  3  14 o 277.703 2.27889 143.748      3.17282   139.046      3.38067   226.555     175.656     63.2494     355.656     
1 1 1 3  3  15 o 371.411 2.4234  257.883      4.67131   247.977      4.65887   355.214     79.1726     14.2198     79.1726     
1 1 1 3  3  16 o 141.85  2.02151 36.2468      1.48306   37.5297      1.48952   57.032      206.485     134.06      26.4845     
1 1 1 3  3  17 o 350.891 2.38801 227.035      4.34706   224.425      4.33987   259.002     119.449     138.048     299.449     
1 1 1 3  3  18 o 18.9601 3.85014 0.661492     0.403568  0.68612      0.393209  105.34      65.1591     219.739     65.1591     
1 1 1 3  3  19 o 212.193 2.68888 81.8801      2.95491   83.2425      2.9601    201.523     355.628     25.0149     355.628     
1 1 1 3  3  20 o 323.582 2.51015 191.507      4.20619   192.461      4.21443   338.784     352.803     83.2301     352.803     
1 1 1 3  3  21 o 112.292 2.1077  22.1977      1.22039   24.0904      1.22995   24.8669     68.5618     135.465     248.562     
1 1 1 3  3  22 o 338.503 2.56221 210.201      4.4937    210.064      4.49791   381.408     123.643     144.402     123.643     
1 1 1 3  3  23 o 364.248 2.55036 244.658      4.97702   242.034      4.64978   350.745     260.565     32.3749     260.565     
1 1 1 3  3  24 o 103.124 2.13508 19.8619      1.14285   19.1794      1.13715   56.2421     178.29      33.4002     358.29      
1 1 1 3  3  25 o 251.471 2.24579 117.578      2.92482   114.424      2.92959   247.319     208.251     44.8708     208.251     
1 1 1 3  3  26 o 149.363 2.46484 40.3906      1.90442   41.4887      1.91217   157.527     108.103     76.0304     108.103     
1 1 1 3  3  27 o 250.441 2.51446 116.051      3.13952   114.207      3.38231   225.158     79.6597     1.90198     259.66      
1 1 1 3  3  28 o 150.938 2.39756 42.8743      1.80423   40.7811      1.94069   128.8       41.8243     8.38325     221.824     
1 1 1 3  3  29 o 211.166 2.46643 82.0612      2.59407   81.6987      2.80098   209.904     249.515     39.3833     249.515     
1 1 1 3  3  30 o 121.011 2.42859 26.9081      1.57692   26.9228      1.46462   134.409     98.1093     62.8576     98.1093     
1 1 1 3  3  31 f 66.4155 2.42512 7.88702      0.857778  8.36458      0.803178  54.8834     47.7311     0           0           
1 1 1 3  3  32 f 25.646  3.6591  1.60385      0.497757  0.941509     0.444349  67.6552     245.563     0           0           
1 1 1 3  3  33 o 205.189 2.31626 79.942       2.55471   74.7879      2.37316   219.746     296.131     76.0251     296.131     
1 1 1 3  3  34 o 116.55  2.22724 25.3793      1.34684   24.5643      1.34166   97.8186     224.891     5.92622     44.8911     
1 1 1 3  3  35 o 104.147 2.26631 19.5467      1.21867   20.3551      1.22511   87.0065     229.546     4.69126     49.5464     
1 1 1 3  3  36 o 112.528 2.26495 23.8769      1.32358   22.7179      1.31559   94.9392     126.591     3.27588     306.591     
1 1 1 3  3  37 o 264.044 2.3603  125.034      3.22085   131.486      3.2391    275.148     284.855     86.9885     284.855     
1 1 1 3  3  38 o 97.7048 2.3143  18.126       1.17681   17.0598      1.16364   82.795      6.92784     1.71825     6.92786     
1 1 1 3  3  39 o 30.3733 3.57406 2.19105      0.55287   1.36605      0.521764  3.87882     339.618     25.5937     159.618     
1 1 1 3  3  40 o 68.059  2.7534  8.26088      0.994938  8.93347      0.934981  73.1556     328.457     36.8559     328.457     
1 1 1 3  3  41 o 55.4598 2.77231 6.47856      0.797805  5.02414      0.777869  38.932      48.4693     13.2204     228.469     
1 1 1 3  3  42 o 111.752 2.50322 23.4357      1.45057   22.8968      1.44579   110.189     296.514     30.8889     296.514     
1 1 1 3  3  43 o 42.3448 3.056   3.60159      0.642213  3.17294      0.674938  34.9017     41.0053     5.15724     41.0053     
1 1 1 3  3  44 o 106.463 2.53176 21.0976      1.3972    21.1793      1.39317   91.3832     253.386     3.45462     253.386     
1 1 1 3  3  45 o 32.1235 3.45949 2.41956      0.557712  1.61783      0.543143  23.6361     300.139     0.98548     120.139     
1 1 1 3  3  46 o 15.1922 4.18373 0.273257     0.48119   0.343727     0.46835   2.64127     105.62      24.1905     105.62      
1 1 1 3  3  47 o 19.9571 4.30444 0.441485     0.507832  1.10517      0.512515  11.6609     319.015     0.948088    319.015     
1 1 1 3  3  48 o 32.4034 3.84931 2.18464      0.630049  2.00151      0.616962  23.8572     89.8512     2.72903     269.851     
1 1 1 3  3  49 o 9.91776 3.31997 -0.377816    0.453678  -0.598582    0.456853  7.42408     33.2529     25.7114     33.2529     
1 1 1 3  3  50 o 60.781  2.82872 6.24444      0.845087  8.00986      0.924869  61.9039     9.77468     26.2842     9.77468     
1 1 1 3  3  51 o 37.5576 3.35918 3.26386      0.640097  2.37029      0.624426  36.42       188.365     15.5047     188.365     
1 1 1 3  3  52 o 41.2481 3.39059 3.29658      0.688     3.50885      0.735047  37.7927     66.2861     11.6103     66.2861     
1 1 1 3  3  53 f 14.0079 4.18728 0.0705971    0.512207  0.260344     0.537068  14.0666     227.191     0           0           
1 1 1 3  3  54 o 18.638  4.24128 1.26816      0.546637  0.123976     0.513544  11.5928     28.323      0.792506    208.323     
1 1 1 3  3  55 o 62.0275 2.94284 6.12709      0.899942  9.51727      0.951989  57.5369     172.933     18.0359     172.933     
1 1 1 3  3  56 o 23.7755 4.74884 1.3894       0.616396  1.35838      0.605432  18.0974     46.6774     3.87835     46.6774     
1 1 1 3  3  57 o 12.6728 4.00602 -0.84775     0.59404   0.436141     0.585808  0.253159    327.789     13.4016     147.789     
1 1 1 3  3  58 o 13.5573 4.25546 0.0208915    0.58794   0.257899     0.608989  3.05932     138.527     2.13928     318.527     
1 1 1 3  3  59 o 14.9984 4.5066  0.526256     0.595689  0.301524     0.637057  3.73129     340.344     9.55668     160.344     
1 1 1 3  3  60 o 19.8512 4.97782 1.66274      0.706705  0.521381     0.692403  9.66031     117.436     4.4787      297.436     
1 1 1 3  3  61 o 13.4923 4.17877 -0.297021    0.580194  0.607677     0.596311  2.28304     307.012     4.85517     127.012     
1 1 1 3  3  62 o 14.9349 4.48934 -0.426093    0.668876  1.06563      0.685278  4.52807     173.788     1.41437     353.788     
1 1 1 3  3  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  4  0  o 235.042 2.37711 101.333      2.89485   101.333      2.89485   144.829     270         164.249     90          
1 1 1 3  4  1  o 217.053 2.33798 88.7973      2.63222   84.0016      2.62738   214.863     251.744     34.4326     251.744     
1 1 1 3  4  2  o 183.503 2.10306 61.3946      1.99942   62.0803      2.00142   165.71      127.718     4.03267     127.718     
1 1 1 3  4  3  o 131.08  2.03996 30.3133      1.38318   32.7123      1.38765   42.786      142.42      143.889     322.42      
1 1 1 3  4  4  o 188.686 2.12316 65.6133      2.07689   64.9419      2.07627   149.086     244.901     43.5401     64.9011     
1 1 1 3  4  5  o 168.479 2.0888  49.9039      1.81969   54.233       1.82663   121.59      83.879      57.5483     263.879     
1 1 1 3  4  6  o 129.578 1.97724 29.4549      1.27963   32.1469      1.37708   95.2065     249.336     18.8911     69.336      
1 1 1 3  4  7  o 338.616 2.29381 212.962      4.0298    207.619      4.02222   319.415     68.5447     0.0299675   68.5561     
1 1 1 3  4  8  o 25.748  2.25665 1.24238      0.294019  1.22659      0.295447  56.8374     83.2065     123.432     83.2065     
1 1 1 3  4  9  o 27.0962 2.31061 1.64453      0.315614  1.11421      0.310193  40.2903     316.315     88.4776     316.315     
1 1 1 3  4  10 o 208.383 2.04784 79.8809      2.21209   79.3658      2.21193   200.772     316.42      25.7662     316.42      
1 1 1 3  4  11 o 302.008 2.23459 164.935      3.49456   169.576      3.50148   194.49      99.0113     178.67      279.011     
1 1 1 3  4  12 o 266.032 2.1618  131.684      2.98381   127.847      2.97804   272.859     127.095     55.7315     127.095     
1 1 1 3  4  13 o 322.581 2.28684 193.045      3.82706   188.529      3.82039   273.145     244.301     57.5313     64.3011     
1 1 1 3  4  14 o 700.981 3.42245 896.896      12.4417   905.543      12.4296   723.803     118.049     117.842     118.049     
1 1 1 3  4  15 o 31.4547 2.59601 1.78016      0.428174  1.89819      0.400375  31.4805     193.619     71.9856     193.619     
1 1 1 3  4  16 o 169.809 2.20763 52.2175      2.06881   53.5088      1.8052    172.341     264.208     60.1003     264.208     
1 1 1 3  4  17 o 577.708 3.24047 610.449      9.69595   613.679      9.71188   561.041     241.424     34.9517     241.424     
1 1 1 3  4  18 o 373.857 2.82494 255.045      5.47161   257.542      5.47734   298.866     312.722     99.1065     132.722     
1 1 1 3  4  19 o 328.72  2.71392 202.809      4.63481   193.529      4.61257   309.531     266.294     12.4155     266.294     
1 1 1 3  4  20 o 103.206 2.43302 18.4833      1.18955   20.6505      1.4099    37.7437     316.396     81.5256     136.396     
1 1 1 3  4  21 o 423.903 2.69546 336.509      5.72964   322.646      6.10042   362.373     208.838     61.5051     28.8377     
1 1 1 3  4  22 o 218.821 2.24485 85.4122      2.45387   90.2246      2.63898   125.907     264.848     143.651     84.8479     
1 1 1 3  4  23 o 197.526 2.30155 72.1114      2.35719   71.0011      2.35579   211.661     6.04529     84.193      6.04528     
1 1 1 3  4  24 f 308.293 2.34162 176.703      3.74374   171.988      3.73991   232.201     232.853     0           0           
1 1 1 3  4  25 o 264.122 2.60683 128.799      3.5713    127.229      3.56666   314.038     205.357     159.242     205.357     
1 1 1 3  4  26 o 311.309 2.72085 181.439      4.3979    174.411      4.38238   302.343     112.577     39.2692     112.577     
1 1 1 3  4  27 o 159.633 2.2988  47.0968      1.90395   46.4389      1.90041   106.535     246.987     69.8773     66.9868     
1 1 1 3  4  28 o 246.073 2.41131 113.048      3.08041   109.298      3.07055   265.239     275.997     86.2488     275.997     
1 1 1 3  4  29 o 137.345 2.15684 34.2321      1.5355    35.0189      1.53543   148.24      116.465     57.0474     116.465     
1 1 1 3  4  30 o 132.339 2.32744 32.3163      1.59859   32.0076      1.59462   170.086     1.62716     120.708     1.62716     
1 1 1 3  4  31 o 167.874 2.18964 51.6334      1.90376   51.8632      1.90705   123.097     230.758     52.4943     50.7583     
1 1 1 3  4  32 o 83.2165 2.26639 12.363       0.972734  13.1183      0.978375  82.0681     253.291     36.5328     253.291     
1 1 1 3  4  33 o 38.1022 3.19378 3.03065      0.569536  2.40737      0.645834  5.74267     185.581     25.4423     5.58104     
1 1 1 3  4  34 o 137.162 2.41319 35.3171      1.58648   33.8646      1.82874   115.797     301.184     8.02489     121.184     
1 1 1 3  4  35 o 232.284 2.48298 101.167      2.77374   97.2628      3.18246   173.69      199.571     63.7411     19.5712     
1 1 1 3  4  36 o 176.196 2.40901 55.6284      2.19237   58.5755      2.20731   190.625     269.932     74.4948     269.932     
1 1 1 3  4  37 o 112.88  2.36805 23.1563      1.42507   23.7737      1.34044   101.256     21.9159     10.8064     21.9159     
1 1 1 3  4  38 o 87.5724 2.35508 13.9075      1.07201   14.3749      1.0618    76.8098     293.316     8.69609     293.316     
1 1 1 3  4  39 o 42.697  3.00284 3.74769      0.69066   3.07781      0.621015  26.108      246.921     8.05724     66.921      
1 1 1 3  4  40 o 137.624 2.76171 34.7852      2.05055   35.3756      1.88032   123.284     341.659     9.71763     341.659     
1 1 1 3  4  41 o 137.078 2.30528 33.8988      1.62899   35.5529      1.64675   124.318     161.513     13.8738     161.513     
1 1 1 3  4  42 o 44.9248 3.06223 3.58399      0.696068  4.01472      0.711327  42.1587     27.6921     17.5659     27.6921     
1 1 1 3  4  43 o 28.7688 3.79983 1.78236      0.524879  1.44633      0.562468  12.1218     103.356     16.6749     283.356     
1 1 1 3  4  44 o 34.0912 3.69601 2.25664      0.615465  2.25028      0.64863   29.3434     198.676     15.6221     198.676     
1 1 1 3  4  45 o 24.3288 4.17225 0.876143     0.50292   1.52182      0.553075  15.1161     269.032     0.251022    269.032     
1 1 1 3  4  46 o 14.3154 4.1665  0.20353      0.496811  0.135503     0.50001   1.46978     109.103     19.1231     109.103     
1 1 1 3  4  47 o 20.9012 4.24832 0.940414     0.488862  0.82231      0.481728  10.0499     42.8552     9.64798     222.855     
1 1 1 3  4  48 o 36.6041 3.57571 2.76661      0.671875  2.50808      0.64846   17.2448     70.454      24.1404     250.454     
1 1 1 3  4  49 f 17.9669 3.98529 1.20094      0.516349  -0.206518    0.501307  14.1258     233.066     0           0           
1 1 1 3  4  50 o 31.8673 4.10819 1.70021      0.642035  2.50473      0.658085  26.8574     116.975     5.65897     116.975     
1 1 1 3  4  51 o 26.6573 4.21297 1.46837      0.563307  1.52151      0.571714  14.3561     346.259     11.3134     166.259     
1 1 1 3  4  52 o 20.1121 4.50959 0.669597     0.52214   1.05559      0.546967  10.6559     68.8002     6.18285     248.8       
1 1 1 3  4  53 o 14.5249 4.11083 -0.0497317   0.472932  0.564718     0.509028  5.27951     296.183     4.65175     116.183     
1 1 1 3  4  54 o 48.0808 3.18272 3.85527      0.761103  5.56915      0.785021  43.9203     276.351     13.0477     276.351     
1 1 1 3  4  55 o 11.7244 3.66414 0.357823     0.495503  -0.841204    0.478652  2.3024      83.8175     4.79422     263.817     
1 1 1 3  4  56 o 41.2638 3.61265 2.95873      0.723801  4.40636      0.763976  35.4561     180.572     8.41386     180.572     
1 1 1 3  4  57 o 14.0187 4.35023 0.266904     0.616899  0.105685     0.59856   3.79347     187.487     3.6079      7.48672     
1 1 1 3  4  58 o 17.4905 4.60139 0.473702     0.585069  0.985893     0.568086  9.28246     132.487     0.515815    312.487     
1 1 1 3  4  59 o 11.2411 3.77097 -0.336096    0.587211  -0.326842    0.595487  0.358644    154.401     3.02174     334.401     
1 1 1 3  4  60 o 17.6774 4.76714 0.241921     0.667545  1.29688      0.658669  7.14642     163.79      3.6385      343.79      
1 1 1 3  4  61 o 18.9388 4.74196 1.66744      0.679489  0.223003     0.657363  7.5702      185.24      8.4999      5.24036     
1 1 1 3  4  62 o 28.7955 5.01054 2.73145      0.768035  1.99373      0.729896  22.8279     345.898     6.67875     345.898     
1 1 1 3  4  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  5  0  o 123.899 2.21112 28.1951      1.41803   28.1951      1.41803   87.8848     90          55.45       270         
1 1 1 3  5  1  o 172.485 2.16735 55.5163      2.01686   53.5997      1.85783   147.385     248.569     9.98831     68.569      
1 1 1 3  5  2  o 187.063 1.97122 63.1849      1.90942   65.142       1.9131    193.241     50.4388     58.4367     50.4388     
1 1 1 3  5  3  o 348.169 2.30802 220.377      4.1645    224.251      4.16613   337.525     106.206     17.6644     106.206     
1 1 1 3  5  4  o 262.465 2.10906 127.34       2.87151   125.309      2.86718   311.876     63.9027     143.757     63.9027     
1 1 1 3  5  5  o 243.529 2.23543 107.808      2.81977   109.721      2.8239    131.03      257.271     193.53      77.2711     
1 1 1 3  5  6  o 65.7769 2.0702  7.61553      0.70232   8.29108      0.704982  15.8253     302.577     100.464     302.577     
1 1 1 3  5  7  o 138.891 1.92814 35.0755      1.38718   35.6683      1.3891    127.203     180.487     47.5612     180.487     
1 1 1 3  5  8  f 277.681 2.15949 143.593      3.1106    139.219      3.10561   300.197     235.746     0           0           
1 1 1 3  5  9  o 312.15  2.23398 179.869      3.61611   177.487      3.61323   329.186     73.7994     76.4306     73.7994     
1 1 1 3  5  10 o 248.672 2.10656 112.72       2.71324   114.04       2.71749   269.092     269.125     84.68       269.125     
1 1 1 3  5  11 o 262.257 2.14765 126.718      2.92075   125.48       2.91837   271.011     316.397     60.2237     316.397     
1 1 1 3  5  12 o 119.511 1.97393 26.0625      1.22242   26.3041      1.22324   83.744      129.168     12.3313     309.168     
1 1 1 3  5  13 o 586.522 3.03347 631.952      9.22489   629.705      9.22038   537.633     146.425     35.2986     326.425     
1 1 1 3  5  14 o 205.512 2.0714  77.8464      2.20595   77.0027      2.20729   133.889     49.2177     106.185     229.218     
1 1 1 3  5  15 o 340.148 2.34463 211.997      4.13564   212.23       4.13242   238.332     185.243     159.036     5.24291     
1 1 1 3  5  16 o 350.395 2.46637 226.453      4.33192   223.746      4.62091   387.123     301.978     125.659     301.978     
1 1 1 3  5  17 o 265.242 2.35312 128.337      3.23297   129.632      3.23764   231.073     15.2589     23.6275     195.259     
1 1 1 3  5  18 f 71.9417 2.28704 9.80192      0.852117  9.21854      0.84875   81.415      170.133     0           0           
1 1 1 3  5  19 o 269.636 2.30317 133.584      3.32343   133.013      3.11174   166.552     237.848     162.256     57.8484     
1 1 1 3  5  20 f 138.731 2.22639 33.7958      1.59242   36.8123      1.60814   133.774     97.7021     0           0           
1 1 1 3  5  21 o 189.218 2.274   67.0733      2.23251   64.2453      2.22764   175.434     61.3077     21.8149     61.3076     
1 1 1 3  5  22 o 224.987 2.25247 93.0636      2.71261   92.5911      2.53878   207.338     75.2883     13.8574     75.2883     
1 1 1 3  5  23 o 128.449 2.44097 32.8654      1.76897   27.8125      1.48139   103.654     37.5143     53.8102     37.5143     
1 1 1 3  5  24 o 176.226 2.48738 58.0608      2.45894   55.9032      2.07584   168.903     29.5523     37.7955     29.5523     
1 1 1 3  5  25 o 235.888 2.67559 101.502      3.12617   102.758      3.41234   187.423     5.55026     49.509      185.55      
1 1 1 3  5  26 o 159.863 2.28974 48.2205      1.89921   45.5915      1.89463   141.864     299.086     5.35604     299.086     
1 1 1 3  5  27 f 87.7641 2.44291 14.3601      1.06895   13.9651      1.14675   108.496     263.867     0           0           
1 1 1 3  5  28 o 203.28  2.43773 74.9422      2.46823   76.8103      2.66743   181.348     11.4759     3.62405     191.476     
1 1 1 3  5  29 f 95.6289 2.19077 17.2834      1.08528   16.3346      1.08319   124.958     228.818     0           0           
1 1 1 3  5  30 o 229.53  2.40727 95.7429      2.85748   97.8016      2.87068   266.068     249.853     122.296     249.853     
1 1 1 3  5  31 o 116.695 2.35646 25.1526      1.42486   24.9174      1.42306   108.014     264.656     15.7994     264.656     
1 1 1 3  5  32 o 116.823 2.2034  25.1845      1.33469   24.9809      1.33153   56.291      250.848     91.7903     70.8481     
1 1 1 3  5  33 o 73.5412 2.34229 10.1028      0.891931  9.81148      0.889171  65.6338     290.393     16.5635     290.393     
1 1 1 3  5  34 o 128.458 2.23032 31.8575      1.49027   28.8321      1.47651   109.197     99.16       5.04258     279.16      
1 1 1 3  5  35 o 53.7022 2.5998  5.35781      0.727883  5.30184      0.710766  33.8983     204.98      11.6446     24.98       
1 1 1 3  5  36 o 125.645 2.25398 29.9511      1.47058   28.1301      1.46324   105.204     137.989     5.8637      317.989     
1 1 1 3  5  37 o 93.7592 2.32798 15.0554      1.12253   17.3783      1.13307   71.0983     155.018     14.8942     335.018     
1 1 1 3  5  38 o 121.664 2.27563 27.2134      1.43446   27.3341      1.4333    120.312     70.3495     33.568      70.3495     
1 1 1 3  5  39 o 124.039 2.74112 28.3859      1.6877    28.5373      1.83025   114.268     231.556     16.0681     231.556     
1 1 1 3  5  40 o 88.6293 2.82411 15.1192      1.24009   14.0577      1.3408    77.7054     288.097     5.30534     288.097     
1 1 1 3  5  41 o 33.3708 3.3876  2.28687      0.541642  1.95799      0.588149  22.8862     207.16      2.67801     207.16      
1 1 1 3  5  42 o 47.9733 3.06044 3.96066      0.718068  4.71402      0.787748  24.0588     321.977     29.75       141.977     
1 1 1 3  5  43 o 32.7551 3.78623 2.38637      0.608559  1.79255      0.622411  16.7983     230.686     15.7203     50.6858     
1 1 1 3  5  44 o 42.9537 3.31147 3.151        0.738028  3.91739      0.697693  42.039      346.461     18.1241     346.461     
1 1 1 3  5  45 o 13.4054 3.91262 0.428781     0.505463  -0.372285    0.440318  2.57206     311.409     17.4293     311.409     
1 1 1 3  5  46 o 25.6166 4.47865 1.3146       0.590818  1.36677      0.591912  19.2855     193.214     3.26951     193.214     
1 1 1 3  5  47 f 22.9849 4.24931 0.78752      0.539695  1.35861      0.509688  13.8939     117.446     0           0           
1 1 1 3  5  48 o 29.1581 4.02585 2.92581      0.62179   0.735063     0.580839  13.7751     256.886     17.8679     76.8862     
1 1 1 3  5  49 o 53.2421 2.93296 5.02317      0.814897  5.91833      0.78267   49.574      282.447     13.8247     282.447     
1 1 1 3  5  50 o 10.0702 3.35865 -0.390706    0.450916  -0.490005    0.463002  4.91245     312.471     19.7702     312.471     
1 1 1 3  5  51 o 14.7003 4.17463 0.233976     0.501792  0.327631     0.472083  2.34957     212.136     12.9366     32.1356     
1 1 1 3  5  52 o 43.6298 3.18237 4.08339      0.707764  3.49943      0.706661  42.3228     189.463     16.9915     189.463     
1 1 1 3  5  53 o 33.7229 3.74328 2.20389      0.625399  2.54743      0.638353  23.7247     181.835     4.26964     1.83462     
1 1 1 3  5  54 o 32.4998 4.02625 3.11143      0.651695  1.56562      0.62712   30.8739     80.0733     13.599      80.0733     
1 1 1 3  5  55 o 15.9744 4.39098 0.757542     0.552944  0.168749     0.529949  7.53134     164.49      3.65562     344.49      
1 1 1 3  5  56 o 21.804  4.77389 1.83403      0.689538  0.538018     0.609757  12.1517     312.767     5.64616     132.767     
1 1 1 3  5  57 o 13.1556 4.10797 0.210976     0.544403  0.0099163    0.559353  2.56425     120.328     2.79657     300.328     
1 1 1 3  5  58 o 18.7601 4.72297 0.489081     0.613147  1.28156      0.614208  10.7021     300.869     1.36387     120.869     
1 1 1 3  5  59 o 18.3772 4.35672 1.66868      0.636898  -0.295294    0.619183  8.98872     64.894      3.51118     244.894     
1 1 1 3  5  60 o 16.6322 4.53468 1.11637      0.596019  0.067272     0.640619  5.49086     286.252     1.144       106.252     
1 1 1 3  5  61 o 17.1868 5.04993 1.04382      0.796371  0.644003     0.68487   2.90006     71.3841     0.712376    71.3841     
1 1 1 3  5  62 o 11.7125 3.83711 0.188789     0.567915  -0.406105    0.55813   0.72565     281.052     1.36677     101.052     
1 1 1 3  6  0  o 72.1615 2.21492 9.60035      0.824942  9.60035      0.824942  24.0872     270         162.516     270         
1 1 1 3  6  1  o 227.756 2.17852 96.5625      2.57305   93.7053      2.57043   140.612     245.24      141.539     65.2402     
1 1 1 3  6  2  o 143.024 1.90676 38.0244      1.41389   36.9946      1.41317   126.694     342.688     22.2612     342.688     
1 1 1 3  6  3  o 277.655 2.13632 143.008      3.07605   139.749      3.07308   225.204     216.502     68.6071     36.5016     
1 1 1 3  6  4  o 265.598 2.12191 129.812      2.92278   128.908      2.9199    236.316     207.398     20.9759     27.3985     
1 1 1 3  6  5  o 234.42  2.04991 99.8089      2.48977   101.728      2.49194   248.551     91.433      71.0789     91.433      
1 1 1 3  6  6  o 162.236 2.09599 45.749       1.75638   50.8436      1.76572   128.529     199.614     26.2613     19.614      
1 1 1 3  6  7  o 366.758 2.5374  247.372      4.82318   246.018      4.8246    323.607     28.7098     44.0247     208.71      
1 1 1 3  6  8  o 268.744 2.14052 130.524      2.97858   134.334      2.98479   309.457     91.8147     127.495     91.8147     
1 1 1 3  6  9  o 243.411 2.09432 109.018      2.64291   108.234      2.64206   140.556     192.163     170.936     12.1635     
1 1 1 3  6  10 o 126.504 1.94803 30.1921      1.27861   28.4945      1.2755    63.0087     125.932     86.552      305.932     
1 1 1 3  6  11 o 456.493 2.62876 385.309      6.22268   378.865      6.21776   413.846     227.991     33.3968     47.991      
1 1 1 3  6  12 o 413.048 2.51082 312.64       5.37568   312.945      5.37603   416.994     5.16415     59.1175     5.16414     
1 1 1 3  6  13 o 315.898 2.27443 183.437      3.72423   182.45       3.72446   287.625     0.0112509   11.5441     180.011     
1 1 1 3  6  14 o 167.428 2.01933 53.0083      1.75454   49.7903      1.74939   121.497     262.463     50.6182     82.463      
1 1 1 3  6  15 o 467.106 2.68078 396.123      6.48516   404.005      6.49634   476.291     82.5033     78.2943     82.5033     
1 1 1 3  6  16 o 188.174 2.21108 64.4478      2.15376   65.385       2.15963   222.139     310.548     147.101     310.548     
1 1 1 3  6  17 f 243.589 2.48892 108.654      3.14223   108.931      3.14312   200.239     79.5197     0           0           
1 1 1 3  6  18 f 564.918 3.19765 591.75       9.37736   578.965      9.34948   475.669     25.7978     0           0           
1 1 1 3  6  19 o 448.03  2.74536 371.762      6.59131   364.496      6.15676   444.885     39.8905     59.1488     39.8905     
1 1 1 3  6  20 o 150.791 2.23258 41.1377      1.7422    42.2504      1.74777   105.804     29.5455     44.4879     209.546     
1 1 1 3  6  21 o 353.468 2.50512 227.003      4.428     231.305      4.74902   309.635     226.391     29.6526     46.3909     
1 1 1 3  6  22 o 323.747 2.36077 193.853      3.96326   190.636      3.96011   302.902     89.2554     15.683      89.2554     
1 1 1 3  6  23 o 355.664 2.5226  228.25       4.48361   235.939      4.81641   325.272     25.508      1.23859     25.5081     
1 1 1 3  6  24 o 159.828 2.6871  45.1583      2.22067   48.6406      2.22977   132.416     34.1728     9.46771     214.173     
1 1 1 3  6  25 o 100.742 2.30136 19.5443      1.20361   17.7617      1.19509   58.9738     43.7916     43.0684     223.792     
1 1 1 3  6  26 o 133.469 2.12744 31.4508      1.46685   33.9476      1.47558   98.3197     271.915     35.3607     91.9146     
1 1 1 3  6  27 o 57.8819 2.4573  6.85954      0.713497  5.52365      0.743634  22.2755     225.903     41.2364     45.903      
1 1 1 3  6  28 o 134.511 2.39207 33.7122      1.7309    32.7605      1.60243   123.304     255.02      10.4157     255.02      
1 1 1 3  6  29 o 68.4073 2.39087 8.28006      0.87104   8.95736      0.815006  51.8047     33.1105     2.16605     33.1106     
1 1 1 3  6  30 o 126.52  2.35288 28.3763      1.63424   30.4706      1.43482   100.731     349.589     19.3155     169.589     
1 1 1 3  6  31 o 223.228 2.59427 92.3192      2.99625   90.8561      3.00728   213.35      31.4051     29.1675     31.4051     
1 1 1 3  6  32 o 34.3072 3.1235  2.18105      0.533092  2.22247      0.552053  5.26861     112.925     49.3599     112.925     
1 1 1 3  6  33 f 125.181 2.30408 28.3918      1.44048   29.2318      1.54656   155.814     213.587     0           0           
1 1 1 3  6  34 o 61.3369 2.5337  7.05224      0.782769  6.83161      0.820118  24.8064     262.882     50.6252     82.882      
1 1 1 3  6  35 o 38.9278 3.04343 2.66777      0.593573  2.98854      0.613497  12.6602     170.437     13.4235     350.437     
1 1 1 3  6  36 o 88.5354 2.33225 14.6324      1.07155   14.2468      1.06533   83.6024     62.0742     22.3067     62.0742     
1 1 1 3  6  37 o 75.5028 2.40812 10.6645      0.940417  10.3728      0.939564  54.3596     34.5357     14.8022     214.536     
1 1 1 3  6  38 o 17.2466 4.07903 0.753458     0.45178   0.236567     0.444715  3.24937     119.314     9.69723     119.314     
1 1 1 3  6  39 o 54.9956 2.998   6.60889      0.861002  4.74188      0.822017  37.2073     307.255     15.4311     127.255     
1 1 1 3  6  40 o 108.997 2.3113  21.4208      1.29654   22.5191      1.31199   124.858     124.142     65.4747     124.142     
1 1 1 3  6  41 o 23.5328 3.94851 0.945603     0.476494  1.22442      0.475389  4.03864     309.155     20.3106     129.155     
1 1 1 3  6  42 o 58.4665 2.6721  6.39229      0.82627   6.37948      0.784122  40.8364     177.5       14.3573     357.5       
1 1 1 3  6  43 o 36.4466 3.59836 1.89151      0.635191  3.32107      0.644732  20.6504     346.514     15.4533     166.514     
1 1 1 3  6  44 f 11.537  3.61277 -0.181778    0.417499  -0.0495776   0.439177  18.1887     221.045     0           0           
1 1 1 3  6  45 o 70.2223 3.19937 9.87508      1.17549   8.94261      1.1405    68.2436     267.471     20.8656     267.471     
1 1 1 3  6  46 f 32.6841 3.5497  2.20912      0.571394  1.97787      0.590089  21.0449     238.525     0           0           
1 1 1 3  6  47 o 11.3787 3.60734 -0.211785    0.425216  -0.0960284   0.455348  0.752096    61.5646     9.93145     61.5646     
1 1 1 3  6  48 o 49.1681 3.00773 4.16285      0.72013   5.18063      0.797366  42.361      224.451     5.81429     224.45      
1 1 1 3  6  49 o 61.9005 3.05684 7.97037      0.945864  6.87727      0.993667  47.8929     131.225     4.22126     311.225     
1 1 1 3  6  50 o 118.316 2.77718 27.8329      1.77905   25.9991      1.6228    108.033     110.466     24.1385     110.466     
1 1 1 3  6  51 o 34.5632 3.91367 2.34787      0.667326  2.57062      0.687466  18.1892     166.387     17.4119     346.387     
1 1 1 3  6  52 f 47.746  3.13947 3.88294      0.756001  5.22477      0.764739  36.7408     161.317     0           0           
1 1 1 3  6  53 o 13.0357 3.938   0.430405     0.528223  -0.390835    0.470028  3.07068     180.113     1.94811     0.112494    
1 1 1 3  6  54 o 31.3049 4.16072 2.24783      0.67784   2.08224      0.623033  27.4749     167.357     8.4449      167.357     
1 1 1 3  6  55 o 39.089  3.63167 3.78167      0.720942  2.77773      0.699527  33.7051     42.836      8.24867     42.836      
1 1 1 3  6  56 o 10.9195 3.64371 0.00950317   0.572945  -0.920496    0.524204  0.280286    124.176     4.43909     304.176     
1 1 1 3  6  57 o 23.9172 4.6493  1.68848      0.602573  1.19836      0.602878  16.3529     354.214     0.00865767  174.215     
1 1 1 3  6  58 o 20.6191 4.74971 1.56902      0.635851  0.692034     0.590886  13.8584     120.535     4.14587     120.535     
1 1 1 3  6  59 o 12.6998 4.08079 0.0301162    0.584295  0.0485804    0.587495  1.05376     155.063     7.60825     335.063     
1 1 1 3  6  60 o 12.9577 4.00749 0.616648     0.568003  -0.616585    0.559934  1.25162     126.644     2.92084     306.645     
1 1 1 3  6  61 o 28.9852 5.34405 1.92703      0.845922  3.1807       0.842821  23.6255     119.926     8.6797      119.926     
1 1 1 3  6  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  7  0  o 141.152 2.22928 36.5791      1.62927   36.5791      1.62927   25.0412     90          220.04      270         
1 1 1 3  7  1  o 368.299 2.52533 245.264      4.81752   252.31       4.8241    425.586     355.946     161.55      355.946     
1 1 1 3  7  2  o 255.68  2.09121 118.658      2.77075   121.08       2.77218   152.298     46.8663     172.187     226.866     
1 1 1 3  7  3  o 409.114 2.86843 303.347      6.0775    310.712      6.08804   373.197     84.5492     26.2987     264.549     
1 1 1 3  7  4  o 232.188 2.39939 99.8424      2.88903   97.8826      2.88643   170.565     93.4065     86.9884     273.407     
1 1 1 3  7  5  o 132.35  1.85899 31.8465      1.27523   32.3796      1.27542   79.4029     298.417     63.8564     118.417     
1 1 1 3  7  6  o 34.6978 2.16122 1.96287      0.365574  2.50254      0.403101  83.2111     200.215     193.846     200.215     
1 1 1 3  7  7  o 292.299 2.34538 157.721      3.55538   155.581      3.55174   275.893     155.695     9.17624     155.695     
1 1 1 3  7  8  f 176.547 2.1346  54.9388      1.94781   59.387       1.95728   149.705     356.583     0           0           
1 1 1 3  7  9  o 157.909 1.96343 45.1986      1.606     46.2238      1.60815   46.9263     51.289      189.476     231.289     
1 1 1 3  7  10 o 256.775 2.12648 120.004      2.82904   121.736      2.83161   114.161     72.4306     249.036     252.431     
1 1 1 3  7  11 f 236.58  2.0914  102.789      2.56521   102.415      2.56428   232.297     142.731     0           0           
1 1 1 3  7  12 o 216.566 2.07411 84.982       2.32681   86.9777      2.32974   251.45      81.8008     124.781     81.8008     
1 1 1 3  7  13 o 427.622 2.5515  331.587      5.65022   338.957      5.6608    347.527     136.951     105.96      316.951     
1 1 1 3  7  14 o 194.725 2.05863 70.7745      2.07858   68.2583      2.0768    213.896     251.45      171.393     251.45      
1 1 1 3  7  15 o 281.616 2.36782 145.237      3.45154   145.566      3.46145   303.018     180.945     93.7706     180.945     
1 1 1 3  7  16 o 208.132 2.23928 79.8672      2.4138    78.9722      2.4179    155.982     126.355     61.5493     306.355     
1 1 1 3  7  17 o 581.414 3.38147 613.894      10.5677   626.33       9.79109   593.657     86.1939     102.937     86.1939     
1 1 1 3  7  18 o 380.358 2.54933 260.307      4.85487   270.325      5.19702   403.249     21.5041     106.462     21.504      
1 1 1 3  7  19 o 130.125 2.14686 30.5264      1.49247   31.5716      1.40039   109.092     108.173     27.9456     108.173     
1 1 1 3  7  20 o 12.439  3.48986 -0.18315     0.353498  0.337766     0.364215  89.2101     240.547     181.828     240.547     
1 1 1 3  7  21 o 100.602 2.18179 18.0787      1.09617   19.0843      1.17679   21.3268     75.1758     116.221     255.176     
1 1 1 3  7  22 o 97.6066 2.11997 17.3544      1.07041   17.6254      1.07223   43.8712     197.791     4.85149     197.791     
1 1 1 3  7  23 o 130.195 2.24172 32.2943      1.51797   29.9395      1.50536   108.88      212.686     9.24385     212.686     
1 1 1 3  7  24 o 156.521 2.67432 42.3135      2.15777   47.7422      2.17493   161.575     267.982     58.9734     267.982     
1 1 1 3  7  25 o 181.457 2.38919 59.7887      2.33347   61.0862      2.15541   175.487     278.53      30.2248     278.53      
1 1 1 3  7  26 o 202.013 2.17335 74.1689      2.27269   75.626       2.27886   215.105     1.54413     68.719      1.54413     
1 1 1 3  7  27 o 307.41  2.36799 177.591      3.77358   169.478      3.77166   263.94      277.758     29.675      97.7583     
1 1 1 3  7  28 o 219.26  2.36644 86.7378      2.68214   89.85        2.69665   214.339     23.0593     35.6189     23.0593     
1 1 1 3  7  29 o 69.7643 2.27799 9.3004       0.82544   8.62022      0.817069  54.711      93.1319     5.87427     93.1319     
1 1 1 3  7  30 o 116.841 2.18456 24.8769      1.32176   25.2982      1.32204   116.151     354.107     33.3274     354.107     
1 1 1 3  7  31 o 130.912 2.35423 30.9442      1.59127   32.0711      1.60104   117.902     117.725     8.43144     117.725     
1 1 1 3  7  32 o 206.355 2.32578 79.2224      2.39913   77.253       2.57098   186.63      149.935     8.10615     149.935     
1 1 1 3  7  33 o 112.872 2.22925 22.3534      1.29328   24.5213      1.31142   61.3557     23.6774     73.6086     203.677     
1 1 1 3  7  34 o 247.469 2.39018 113.6        3.16882   111.603      2.96145   237.058     65.4953     38.2523     65.4953     
1 1 1 3  7  35 o 158.889 2.30955 48.3289      1.96988   44.5584      1.83522   148.636     120.207     21.8535     120.207     
1 1 1 3  7  36 o 192.055 2.34502 69.4957      2.41869   66.2881      2.25036   174.363     101.999     15.2327     101.999     
1 1 1 3  7  37 o 71.6738 2.49442 9.46499      0.946859  9.51663      0.900179  67.1125     129.301     20.349      129.301     
1 1 1 3  7  38 o 120.965 2.52678 26.332       1.62749   27.7421      1.53295   111.942     331.508     17.0633     331.508     
1 1 1 3  7  39 o 47.4643 3.10779 3.9947       0.754968  4.44794      0.754943  39.8614     238.74      5.43089     238.74      
1 1 1 3  7  40 o 42.7891 2.94604 2.95408      0.618994  3.95085      0.665902  38.0502     41.6249     13.1944     41.6249     
1 1 1 3  7  41 o 55.3281 2.67018 5.608        0.740457  5.82141      0.781967  54.0864     41.6806     20.4791     41.6806     
1 1 1 3  7  42 o 13.958  3.52575 -0.667489    0.410745  0.720094     0.427567  7.16234     248.465     25.9258     248.465     
1 1 1 3  7  43 o 87.6868 2.57525 14.1165      1.16569   14.6433      1.17005   78.4459     80.1108     10.5365     80.1108     
1 1 1 3  7  44 o 21.0667 4.0659  1.3925       0.512049  0.343845     0.488358  9.02872     282.028     8.56392     102.028     
1 1 1 3  7  45 o 74.0585 3.17986 11.1844      1.23424   9.77001      1.19366   65.2896     116.124     8.29841     116.124     
1 1 1 3  7  46 o 57.1089 2.70613 7.48313      0.810176  4.99321      0.764743  46.0577     294.379     1.22824     114.379     
1 1 1 3  7  47 o 30.4648 3.69606 1.38072      0.544481  2.37299      0.564267  24.1073     259.02      1.81914     259.019     
1 1 1 3  7  48 o 71.1281 2.69736 10.1274      0.958125  9.18416      1.01726   65.8059     257.347     16.1844     257.347     
1 1 1 3  7  49 o 58.5165 2.97179 7.36537      0.904821  5.91926      0.879481  57.963      20.0056     22.4892     20.0056     
1 1 1 3  7  50 o 26.8431 4.13543 1.68917      0.566177  1.33655      0.553697  23.2481     193.401     9.34065     193.401     
1 1 1 3  7  51 o 20.7335 4.71872 0.819351     0.568583  1.04042      0.587354  10.9246     19.7746     6.87256     199.775     
1 1 1 3  7  52 o 20.334  4.08118 0.183528     0.516608  1.51519      0.533752  14.185      28.2358     7.15996     28.2358     
1 1 1 3  7  53 f 18.7188 4.52258 0.457239     0.539482  1.04897      0.555227  17.3896     17.2228     0           0           
1 1 1 3  7  54 o 13.1604 4.00523 -0.12775     0.490672  0.333446     0.517871  3.20768     353.3       1.04534     173.3       
1 1 1 3  7  55 f 14.1413 4.19255 0.699459     0.601441  -0.360451    0.509461  7.00096     330.786     0           0           
1 1 1 3  7  56 f 15.6634 4.55324 0.745575     0.615231  0.0864445    0.619498  9.22309     84.1399     0           0           
1 1 1 3  7  57 o 26.5451 4.93005 2.06679      0.702072  1.60803      0.679844  18.364      5.41817     0.603074    185.418     
1 1 1 3  7  58 o 12.5193 3.96035 0.256622     0.555561  -0.116955    0.504482  1.10561     300.597     9.29548     120.597     
1 1 1 3  7  59 o 13.7447 4.27787 0.263457     0.611247  0.23089      0.570561  1.99289     6.8802      4.67314     186.88      
1 1 1 3  7  60 o 22.1148 4.63156 2.49814      0.741864  -0.0279757   0.785066  14.9429     295.872     5.4386      295.872     
1 1 1 3  7  61 o 16.7134 4.79317 0.212029     0.690034  1.21387      0.693191  5.56871     108.26      8.80549     288.26      
1 1 1 3  7  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  8  0  o 281.999 2.75181 145.867      4.02079   145.867      4.02079   310.678     270         83.4746     270         
1 1 1 3  8  1  o 161.532 2.01081 49.17        1.74394   46.5174      1.62365   102.057     11.9283     81.1266     191.928     
1 1 1 3  8  2  f 237.235 2.035   99.7344      2.49942   106.676      2.50359   172.7       347.605     0           0           
1 1 1 3  8  3  o 145.613 2.26659 38.0401      1.70869   39.7154      1.71243   119.517     290.138     3.09259     110.138     
1 1 1 3  8  4  o 318.772 2.61028 182.76       4.30888   189.91       4.31644   235.871     79.804      124.416     259.804     
1 1 1 3  8  5  o 150.897 2.27257 41.5028      1.77724   41.9862      1.77786   150.076     193.993     70.778      193.993     
1 1 1 3  8  6  o 326.345 2.31827 195.233      4.0581    195.265      3.78029   381.326     263.697     159.96      263.697     
1 1 1 3  8  7  o 120.876 1.9329  26.8446      1.21106   26.7223      1.21113   78.1886     258.849     33.1434     78.8489     
1 1 1 3  8  8  o 195.559 2.16169 69.5368      2.18982   70.6804      2.1927    166.545     291.969     15.8407     111.969     
1 1 1 3  8  9  o 405.065 2.54781 295.498      5.15715   306.187      5.54073   406.573     258.924     56.0289     258.924     
1 1 1 3  8  10 o 215.198 2.05483 87.1839      2.29477   82.6336      2.28849   230.996     71.2239     81.6755     71.2239     
1 1 1 3  8  11 o 517.307 2.80411 486.705      7.51588   494.673      7.52233   485.748     308.82      0.773837    308.821     
1 1 1 3  8  12 o 624.767 3.15066 712.774      10.2      718.874      10.2069   645.154     62.4833     117.341     62.4833     
1 1 1 3  8  13 o 290.932 2.22013 153.163      3.34416   157.196      3.35175   210.726     5.83428     115.188     185.834     
1 1 1 3  8  14 o 378.855 2.59572 267.277      5.09441   259.105      5.09967   373.823     133.889     46.2951     133.889     
1 1 1 3  8  15 f 370.971 2.58259 252.7        4.96228   251.987      4.97014   310.698     15.6306     0           0           
1 1 1 3  8  16 o 453.11  2.82547 371.939      6.6338    381.128      6.63807   417.787     265.371     5.11452     85.3714     
1 1 1 3  8  17 o 50.1508 2.49939 5.27471      0.644047  4.03706      0.638484  21.1512     323.592     69.3284     323.592     
1 1 1 3  8  18 o 235.284 2.16266 100.97       2.63377   102.043      2.64145   220.782     185.931     21.0555     185.931     
1 1 1 3  8  19 o 76.6739 2.22027 11.2119      0.910843  10.3938      0.850606  3.40514     11.647      108.628     11.647      
1 1 1 3  8  20 o 55.4076 2.43773 6.29591      0.699594  5.04507      0.688188  60.07       162.352     190.596     162.352     
1 1 1 3  8  21 o 197.358 2.20636 70.2708      2.17615   72.6247      2.33748   157.695     288.373     31.8285     108.373     
1 1 1 3  8  22 o 204.739 2.28892 78.8493      2.43471   74.9812      2.42281   226.989     34.2947     99.0152     34.2947     
1 1 1 3  8  23 o 88.9254 2.27914 14.706       1.04776   14.3529      1.04978   52.7773     15.2769     21.2947     195.277     
1 1 1 3  8  24 o 60.3172 2.54282 6.71118      0.757803  6.69424      0.823516  2.21413     247.333     81.157      67.3329     
1 1 1 3  8  25 o 69.3445 2.40021 8.06926      0.851447  9.66447      0.864537  48.9096     178.648     2.35093     178.648     
1 1 1 3  8  26 o 120.119 2.13783 28.0763      1.33586   24.9523      1.32237   101.933     192.982     5.48618     12.9817     
1 1 1 3  8  27 o 56.9735 2.33006 6.24731      0.685086  5.71937      0.684273  9.7855      51.5259     70.3161     231.526     
1 1 1 3  8  28 f 81.9524 2.36962 12.9648      1.0067    11.7623      1.00076   33.2795     266.177     0           0           
1 1 1 3  8  29 o 134.518 2.23962 32.7427      1.60823   33.724       1.5119    133.962     92.1111     35.1668     92.1111     
1 1 1 3  8  30 o 59.7349 2.37293 6.78729      0.733951  6.36814      0.729214  35.0522     190.786     19.3328     10.7864     
1 1 1 3  8  31 o 110.974 2.29455 22.8835      1.36515   22.404       1.27104   95.5443     18.5114     0.707666    18.5116     
1 1 1 3  8  32 o 59.1386 2.65722 6.72109      0.813836  6.19903      0.806118  37.6963     125.085     16.632      305.085     
1 1 1 3  8  33 o 54.733  2.53025 5.96355      0.717918  5.11808      0.707371  34.0454     122.039     14.1546     302.039     
1 1 1 3  8  34 o 125.511 2.23548 30.1651      1.46198   27.7944      1.44435   115.428     189.798     15.6934     189.798     
1 1 1 3  8  35 o 40.2314 2.90425 2.89093      0.593868  3.14142      0.599795  9.35011     78.0465     78.8342     78.0466     
1 1 1 3  8  36 o 34.5109 3.25455 1.75994      0.551792  2.77935      0.55834   0.960632    15.2158     43.5973     195.216     
1 1 1 3  8  37 o 98.961  2.31906 18.0068      1.18795   18.1305      1.18798   83.2019     249.696     1.19359     69.6966     
1 1 1 3  8  38 o 55.3083 2.93932 5.53531      0.835198  5.86634      0.837318  48.4184     67.3135     7.56556     67.3135     
1 1 1 3  8  39 o 117.808 2.29407 26.362       1.40121   24.9694      1.39728   110.644     51.2882     20.7392     51.2882     
1 1 1 3  8  40 o 53.4209 2.60056 4.89422      0.705708  5.76166      0.723237  45.0909     116.868     4.46835     116.868     
1 1 1 3  8  41 o 43.6541 2.87369 3.69606      0.660426  3.47435      0.625329  38.4243     44.3162     10.3289     44.3162     
1 1 1 3  8  42 o 111.09  2.4329  21.6525      1.42866   24.3662      1.36098   99.9534     191.618     13.217      191.618     
1 1 1 3  8  43 f 96.2699 2.55799 17.5371      1.27857   17.169       1.26985   79.503      270.256     0           0           
1 1 1 3  8  44 o 17.7801 4.44607 0.370778     0.527495  0.726373     0.515287  5.90187     58.0841     37.4613     58.0841     
1 1 1 3  8  45 f 45.19   3.22129 3.13601      0.693624  4.80095      0.782763  40.6972     334.009     0           0           
1 1 1 3  8  46 o 35.832  3.6538  2.07877      0.648712  3.01574      0.648241  30.1636     13.6299     4.34545     13.6299     
1 1 1 3  8  47 f 26.8403 4.05452 1.26734      0.540652  1.68554      0.555083  28.3955     60.2243     0           0           
1 1 1 3  8  48 o 26.2382 4.151   1.26506      0.535285  1.59358      0.567428  15.3257     262.523     8.61913     82.523      
1 1 1 3  8  49 o 65.4415 2.97279 8.94796      0.973156  7.67545      1.02244   65.0969     133.756     25.5867     133.756     
1 1 1 3  8  50 o 11.967  3.72499 -0.222035    0.45806   0.0902363    0.45088   8.61621     317.965     33.1212     317.965     
1 1 1 3  8  51 o 12.6696 3.91446 -0.273923    0.493607  0.210461     0.504046  1.52031     271.475     1.69685     91.4749     
1 1 1 3  8  52 o 16.9826 4.10871 1.06609      0.515521  -0.116625    0.508325  9.34148     237.453     1.48865     57.4527     
1 1 1 3  8  53 o 16.9027 4.37034 0.326517     0.518485  0.816681     0.514735  9.13722     164.604     2.81567     164.604     
1 1 1 3  8  54 o 17.5325 4.47734 0.913714     0.545979  0.420925     0.525858  10.104      155.583     0.296001    155.583     
1 1 1 3  8  55 o 11.0122 3.65069 0.00641061   0.555115  -0.754026    0.513008  0.226247    235.977     9.27692     235.977     
1 1 1 3  8  56 o 54.1088 3.16324 5.70995      0.876893  6.64121      0.876037  48.1212     139.417     14.0694     139.417     
1 1 1 3  8  57 o 21.5871 4.13148 2.17322      0.628971  0.0283352    0.589849  14.1078     213.13      0.343031    33.1298     
1 1 1 3  8  58 o 13.8661 4.00305 0.824612     0.538341  -0.542733    0.524324  2.91231     202.854     5.39077     22.8544     
1 1 1 3  8  59 o 18.2456 4.91338 0.843087     0.649605  0.987988     0.641149  7.53954     145.217     0.636386    145.217     
1 1 1 3  8  60 o 9.67934 3.37322 -0.974102    0.56308   -0.640178    0.627711  1.44748     331.274     8.37026     331.274     
1 1 1 3  8  61 o 12.2984 4.00223 0.325952     0.59897   -0.499588    0.62195   2.06375     276.952     4.34763     96.9516     
1 1 1 3  9  0  o 121.236 2.23761 26.9963      1.40404   26.9963      1.40404   89.1587     270         41.7663     90          
1 1 1 3  9  1  o 219.358 2.17676 89.3874      2.47559   87.0398      2.47432   160.309     178.638     78.9463     358.638     
1 1 1 3  9  2  o 518.289 2.79557 497.798      7.51439   487.293      7.50618   506.594     16.3426     37.7165     16.3427     
1 1 1 3  9  3  o 216.52  2.37773 83.1635      2.6617    88.7761      2.67386   167.896     219.047     57.0741     39.0471     
1 1 1 3  9  4  o 566.364 3.41479 589.819      10.0259   586.736      10.0243   529.177     6.60288     8.64929     186.603     
1 1 1 3  9  5  o 426.788 2.93792 328.555      6.49202   339.474      6.506     373.005     337.664     53.8002     157.664     
1 1 1 3  9  6  o 140.694 2.2855  37.874       1.66857   34.7381      1.66297   88.1609     300.582     62.2202     120.582     
1 1 1 3  9  7  f 634.397 3.26919 742.719      11.1208   733.423      10.3717   458.421     8.52719     0           0           
1 1 1 3  9  8  o 265.654 2.18554 131.541      3.12031   127.227      2.89783   155.716     292.535     179.022     112.535     
1 1 1 3  9  9  o 613.482 3.31108 705.642      10.5462   675.001      10.5094   599.723     350.446     47.7647     350.446     
1 1 1 3  9  10 o 377.602 2.40632 265.965      4.71636   256.894      4.70274   338.179     313.867     25.144      133.867     
1 1 1 3  9  11 o 430.406 2.5516  336.836      5.69128   342.487      5.69395   500.177     31.7153     202.736     31.7153     
1 1 1 3  9  12 o 111.04  1.99581 21.8232      1.14487   23.4126      1.15075   63.9393     134.287     35.3521     314.287     
1 1 1 3  9  13 o 111.677 2.13906 23.2674      1.23652   22.4987      1.23747   60.3166     350.537     48.058      170.537     
1 1 1 3  9  14 o 175.329 2.18048 57.1469      1.97995   55.5776      1.98312   179.089     41.0143     65.8028     41.0143     
1 1 1 3  9  15 o 355.927 2.3799  235.628      4.39541   228.98       4.3858    347.408     356.395     41.2797     356.395     
1 1 1 3  9  16 o 335.896 2.50457 208.637      4.36652   205.189      4.355     270.717     2.25784     74.9963     182.258     
1 1 1 3  9  17 o 224.686 2.27343 93.2248      2.65135   91.9332      2.64424   181.511     3.14881     38.8503     183.149     
1 1 1 3  9  18 o 158.872 2.07282 45.7329      1.70509   46.8406      1.70882   116.463     306.474     38.5139     126.474     
1 1 1 3  9  19 o 204.611 2.27588 76.3655      2.41263   77.2135      2.41501   209.957     323.478     65.2143     323.478     
1 1 1 3  9  20 o 21.8664 3.41429 1.53578      0.411748  0.335977     0.396587  86.0124     206.734     183.893     206.734     
1 1 1 3  9  21 f 82.7464 2.36164 12.6316      0.973714  12.5353      1.04641   66.6364     84.2771     0           0           
1 1 1 3  9  22 o 323.654 2.51422 191.293      4.21792   193.251      4.21818   308.312     213.848     29.1977     213.848     
1 1 1 3  9  23 o 189.91  2.27732 67.7505      2.24358   64.648       2.23924   111.411     239.704     118.091     59.7041     
1 1 1 3  9  24 o 128.867 2.25244 30.4449      1.50479   30.5172      1.50444   66.1502     243.369     96.1333     63.3689     
1 1 1 3  9  25 o 144.677 2.28368 38.6208      1.71189   38.233       1.71334   80.3488     60.8613     97.1366     240.861     
1 1 1 3  9  26 o 109.777 2.22142 22.2727      1.30833   22.0144      1.21602   116.917     67.6376     50.2059     67.6376     
1 1 1 3  9  27 o 172.966 2.16019 55.0669      1.93521   54.7915      1.93836   191.889     38.182      79.609      38.182      
1 1 1 3  9  28 o 48.3397 2.67644 4.89719      0.665869  3.78172      0.656667  16.7137     38.3063     26.7273     218.306     
1 1 1 3  9  29 o 137.131 2.24264 33.853       1.64004   35.2312      1.54439   124.999     170.542     11.427      170.542     
1 1 1 3  9  30 o 75.6981 2.277   10.6514      0.889674  10.4395      0.89307   27.2806     248.629     72.9049     68.6288     
1 1 1 3  9  31 o 214.241 2.24127 83.0949      2.4803    85.5616      2.49755   176.385     15.098      25.7755     195.098     
1 1 1 3  9  32 o 77.2343 2.4968  10.3003      0.989052  11.7051      1.00251   69.1268     313.571     13.3926     313.571     
1 1 1 3  9  33 o 145.648 2.2984  38.2175      1.6641    39.7921      1.80582   108.074     310.447     36.7436     130.447     
1 1 1 3  9  34 f 105.564 2.26014 20.9882      1.23719   20.0463      1.23304   119.02      54.8238     0           0           
1 1 1 3  9  35 o 64.394  2.44839 7.5025       0.811635  7.81662      0.816692  56.5338     75.6534     16.2695     75.6534     
1 1 1 3  9  36 o 152.06  2.24837 41.5698      1.76552   43.6233      1.77841   129.161     34.041      3.50874     214.041     
1 1 1 3  9  37 o 68.8013 2.58368 9.04413      0.916722  8.50068      0.91877   50.9332     169.166     12.8369     349.166     
1 1 1 3  9  38 f 69.8094 2.61705 7.704        0.926167  10.4942      0.946312  52.8171     42.4266     0           0           
1 1 1 3  9  39 o 22.7514 3.91438 1.21068      0.464502  0.818145     0.457235  3.81454     244.454     17.3978     64.4537     
1 1 1 3  9  40 o 75.0794 2.41676 10.9512      0.942178  10.0122      0.932917  55.6855     293.004     13.741      113.004     
1 1 1 3  9  41 o 81.7097 2.39319 11.4872      0.998676  13.4072      1.02112   49.785      290.26      37.2345     110.26      
1 1 1 3  9  42 o 62.8065 2.5435  7.71766      0.827553  7.06666      0.820657  60.093      92.471      17.4647     92.471      
1 1 1 3  9  43 o 33.9974 3.78354 2.20682      0.643692  2.32781      0.645508  27.0911     237.561     2.35146     237.561     
1 1 1 3  9  44 o 63.146  2.92239 7.46459      0.949118  7.6778       0.953397  58.1625     145.313     12.9431     145.313     
1 1 1 3  9  45 o 53.8479 2.83256 5.69689      0.7556    5.33383      0.810314  41.347      234.234     4.97256     54.2335     
1 1 1 3  9  46 o 24.8486 4.36393 1.22705      0.569598  1.3244       0.550282  16.7665     322.463     2.51339     142.463     
1 1 1 3  9  47 o 25.0108 4.11581 1.07547      0.530496  1.51568      0.522951  12.7        138.31      12.0198     318.31      
1 1 1 3  9  48 o 34.9888 3.5529  2.65479      0.645344  2.24411      0.605649  35.6452     249.343     19.455      249.343     
1 1 1 3  9  49 o 21.0337 4.26125 0.207488     0.555118  1.5607       0.571203  13.7942     24.9124     5.64904     24.9124     
1 1 1 3  9  50 o 38.8257 3.33378 3.07171      0.661248  2.96849      0.653122  38.1651     119.662     17.1685     119.662     
1 1 1 3  9  51 o 22.6272 4.58034 1.67828      0.633475  0.621902     0.565439  17.6954     313.858     5.43484     313.858     
1 1 1 3  9  52 o 12.1019 3.83946 -0.369532    0.487993  0.138017     0.528181  1.45706     192.475     1.30498     12.4748     
1 1 1 3  9  53 o 28.1166 4.19852 1.18342      0.594136  2.43812      0.607798  24.1224     265.16      7.563       265.16      
1 1 1 3  9  54 o 25.6408 4.45965 2.65744      0.705273  0.56951      0.645459  18.1089     164.869     0.155234    344.869     
1 1 1 3  9  55 o 14.8501 4.35892 0.0653992    0.547405  0.622323     0.583166  4.98281     318.26      3.43671     138.26      
1 1 1 3  9  56 o 12.5758 3.93809 0.348844     0.530084  -0.325431    0.526625  2.07295     33.633      7.33238     213.633     
1 1 1 3  9  57 o 23.4346 4.82707 1.38512      0.620993  1.54586      0.624791  13.8337     10.602      4.07302     190.602     
1 1 1 3  9  58 o 8.90927 3.0806  -1.31777     0.483279  -0.25597     0.478465  0.903572    206.298     3.4469      206.298     
1 1 1 3  9  59 o 12.5302 4.09285 -0.102455    0.663893  0.0273007    0.585896  1.01887     74.242      7.08907     254.242     
1 1 1 3  9  60 o 13.2115 4.18804 0.159723     0.573732  0.242188     0.612077  2.59008     128.638     6.02014     308.638     
1 1 1 3  9  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  10 0  o 129.963 2.26362 31.0158      1.52285   31.0158      1.52285   8.71507     89.9993     5.63211     89.9993     
1 1 1 3  10 1  o 256.329 2.25937 118.825      2.99897   122.095      3.00476   231.865     27.7417     3.59415     207.742     
1 1 1 3  10 2  o 86.4437 1.93299 14.1614      0.866084  13.2691      0.863425  11.7558     325.241     96.3257     145.241     
1 1 1 3  10 3  o 806.304 4.35841 1196.36      18.2206   1189.47      18.2117   776.304     183.622     35.1372     183.622     
1 1 1 3  10 4  o 221.286 2.40173 92.1102      2.75719   87.4696      2.75142   160.235     154.228     80.5915     334.228     
1 1 1 3  10 5  o 425.126 2.93534 331.718      6.46877   331.102      6.46832   408.349     137.281     24.9559     137.281     
1 1 1 3  10 6  o 386.458 2.82608 271.366      5.65649   276.356      5.66587   329.773     91.4052     58.8655     271.405     
1 1 1 3  10 7  o 349.045 2.72278 225.048      4.92673   221.742      4.92578   371.518     290.054     100.15      290.054     
1 1 1 3  10 8  o 717.755 3.56929 952.875      13.7378   937.137      12.8125   656.116     276.305     32.7513     96.305      
1 1 1 3  10 9  o 189.355 2.17794 66.0293      2.13679   65.44        2.13865   117.049     265.851     103.69      85.8507     
1 1 1 3  10 10 o 62.0337 2.29082 7.31562      0.732694  6.83747      0.734725  22.5897     210.756     107.329     210.756     
1 1 1 3  10 11 o 119.811 2.00384 25.8592      1.24211   26.7767      1.24665   33.2372     231.24      133.239     51.2398     
1 1 1 3  10 12 o 317.401 2.41066 187.365      3.96729   182.1        3.96456   306.805     27.38       33.6078     27.38       
1 1 1 3  10 13 o 387.302 2.60329 274.788      5.22239   275.378      5.23043   340.615     340.261     32.4379     160.261     
1 1 1 3  10 14 o 54.0516 2.30844 5.26137      0.669081  5.49355      0.615835  21.2921     202.989     80.1965     202.989     
1 1 1 3  10 15 o 199.382 2.15155 72.0952      2.29314   73.6992      2.1501    194.581     339.051     42.632      339.051     
1 1 1 3  10 16 o 136.501 2.17237 34.8922      1.53946   33.4543      1.53434   117.07      228.454     22.4006     228.454     
1 1 1 3  10 17 o 169.508 2.06536 51.5494      1.81053   53.8479      1.81848   170.518     47.3264     60.3699     47.3264     
1 1 1 3  10 18 o 164.074 2.07627 49.4772      1.76504   49.2696      1.76667   148.06      272.125     20.4655     272.125     
1 1 1 3  10 19 o 248.89  2.42862 116.319      3.25899   111.033      3.00706   217.914     52.7994     10.529      232.8       
1 1 1 3  10 20 f 62.8648 2.36733 7.31449      0.76804   7.23037      0.769232  22.6124     262.189     0           0           
1 1 1 3  10 21 o 264.525 2.4692  124.387      3.24535   132.557      3.52667   235.753     224.866     5.90188     44.8655     
1 1 1 3  10 22 o 143.997 2.15866 38.0016      1.56038   38.1009      1.66072   123.905     57.4578     4.05007     237.458     
1 1 1 3  10 23 o 130.068 2.2447  31.2634      1.51289   30.8437      1.5139    78.9741     348.592     72.4835     168.592     
1 1 1 3  10 24 o 121.4   2.11225 27.6291      1.33051   26.4951      1.32647   83.668      10.0565     45.5029     190.056     
1 1 1 3  10 25 o 145.886 2.28419 38.0889      1.71875   40.0834      1.73546   123.59      298.996     9.77547     118.996     
1 1 1 3  10 26 o 57.5281 2.51965 6.32432      0.754312  5.88693      0.740723  34.8067     96.9584     0.651566    276.958     
1 1 1 3  10 27 o 143.502 2.13972 36.3841      1.58315   39.267       1.59894   131.253     166.442     12.1764     166.442     
1 1 1 3  10 28 o 164.852 2.31625 51.0429      1.98323   48.8126      1.97479   173.038     89.46       57.8042     89.46       
1 1 1 3  10 29 o 39.5703 2.8114  3.18518      0.590705  2.64472      0.546343  0.400688    83.4775     54.8743     83.4775     
1 1 1 3  10 30 o 214.547 2.23193 84.4624      2.48246   84.663       2.48189   197.537     344.361     16.7025     344.361     
1 1 1 3  10 31 o 49.9902 2.54544 4.17473      0.646669  5.08668      0.659741  29.9832     69.9003     9.81474     249.9       
1 1 1 3  10 32 o 98.2625 2.42704 18.7529      1.24114   16.8312      1.22554   68.905      138.683     28.922      318.683     
1 1 1 3  10 33 o 140.41  2.39481 36.7808      1.74386   35.7722      1.74193   128.546     197.864     16.0972     197.864     
1 1 1 3  10 34 o 99.2465 2.27759 17.4572      1.16142   18.8494      1.17817   89.7907     238.669     13.8443     238.669     
1 1 1 3  10 35 o 121.175 2.24787 27.3753      1.41232   26.7487      1.40899   97.852      209.935     11.3441     29.9345     
1 1 1 3  10 36 o 56.0448 2.67284 5.29265      0.760111  6.39575      0.780007  39.0098     141.977     13.0112     321.977     
1 1 1 3  10 37 o 22.4287 4.29996 1.03734      0.514339  0.918318     0.511445  2.54832     337.761     18.601      157.761     
1 1 1 3  10 38 o 121.584 2.35527 27.0334      1.43557   27.7029      1.52986   102.886     351.982     0.843852    171.982     
1 1 1 3  10 39 o 33.8365 3.22304 1.95106      0.548559  2.41651      0.546968  24.2311     28.0085     4.04751     28.0085     
1 1 1 3  10 40 o 75.4397 2.41116 10.805       0.938783  10.3847      0.941743  81.9533     175.623     40.2618     175.623     
1 1 1 3  10 41 o 54.7798 2.59017 5.60412      0.733425  5.64961      0.729074  35.2874     192.179     19.2209     12.1789     
1 1 1 3  10 42 o 58.638  2.58037 6.30941      0.779504  6.61797      0.781022  47.9794     124.061     0.0676059   304.061     
1 1 1 3  10 43 o 40.819  3.7902  2.97675      0.780858  3.55585      0.777419  39.5139     185.948     15.3879     185.948     
1 1 1 3  10 44 o 60.9337 2.70532 7.34359      0.821327  6.71378      0.873935  60.6863     37.2844     22.2125     37.2844     
1 1 1 3  10 45 f 91.1701 2.4326  14.7487      1.13527   16.5852      1.15796   77.5113     247.009     0           0           
1 1 1 3  10 46 o 16.2816 4.2821  0.222471     0.486408  0.63438      0.502053  0.0727958   343.894     22.2563     163.895     
1 1 1 3  10 47 o 54.9708 2.89604 6.44976      0.860336  5.2306       0.777898  56.2393     205.571     25.2206     205.571     
1 1 1 3  10 48 o 28.4711 3.90428 2.4071       0.564159  1.03204      0.54358   21.9927     330.701     2.04173     330.701     
1 1 1 3  10 49 f 31.097  4.19304 1.6532       0.642591  2.4401       0.655522  17.6507     109.903     0           0           
1 1 1 3  10 50 o 11.6387 3.65596 -0.278658    0.443801  0.0905741    0.453332  0.30102     129.226     10.9651     309.226     
1 1 1 3  10 51 o 59.5129 2.85153 8.11031      0.881063  5.95427      0.853575  60.463      155.582     27.9103     155.582     
1 1 1 3  10 52 o 15.9427 4.38205 0.76451      0.552068  0.0913664    0.541168  8.06543     355.983     1.01553     355.983     
1 1 1 3  10 53 o 9.8842  3.29268 -1.05235     0.449674  0.00438542   0.466594  0.70953     97.0086     8.79884     97.0086     
1 1 1 3  10 54 o 27.6496 4.99156 2.6341       0.798982  1.3043       0.681834  21.9592     177.54      5.50359     177.54      
1 1 1 3  10 55 o 8.09459 2.84281 -1.20786     0.460742  -0.689754    0.457714  0.745727    19.583      2.95056     19.583      
1 1 1 3  10 56 o 25.1345 4.66051 2.14456      0.648581  1.13414      0.633504  18.0283     127.072     1.67549     127.073     
1 1 1 3  10 57 o 16.1596 4.46782 0.325912     0.553499  0.869322     0.56589   3.44466     135.979     0.00738824  135.981     
1 1 1 3  10 58 f 15.7711 4.57639 0.245976     0.620593  0.825601     0.614554  3.22343     149.168     0           0           
1 1 1 3  10 59 o 29.2238 5.381   1.90641      0.857517  3.25637      0.86142   25.7324     122.9       15.4902     122.9       
1 1 1 3  10 60 o 13.9488 4.40896 0.435945     0.629304  0.0879348    0.695211  3.96141     123.659     4.71338     303.659     
1 1 1 3  11 0  o 224.098 2.05628 92.0973      2.38773   92.0973      2.38773   273.086     270         125.261     270         
1 1 1 3  11 1  o 94.1466 2.11536 16.3159      1.02968   16.2154      1.03235   35.4199     334.622     52.3153     154.622     
1 1 1 3  11 2  o 392.636 2.44129 284.713      4.97034   280.598      4.96681   390.445     20.3139     54.8343     20.3139     
1 1 1 3  11 3  o 484.81  3.02031 430.52       7.27565   431.557      7.89292   432.001     75.3533     38.3361     255.353     
1 1 1 3  11 4  o 138.183 2.32347 34.6114      1.66122   35.4071      1.66722   21.0396     30.6717     286.372     30.6717     
1 1 1 3  11 5  o 114.043 2.31387 24.2334      1.36445   23.4985      1.36811   29.8989     15.0497     13.945      15.0497     
1 1 1 3  11 6  f 397.508 2.85655 288.149      5.88402   291.394      5.88781   265.497     190.359     0           0           
1 1 1 3  11 7  o 196.07  2.39463 71.7639      2.43404   69.2213      2.43293   215.429     64.3935     98.6609     64.3935     
1 1 1 3  11 8  o 235.169 2.361   101.203      2.75021   101.603      3.00101   198.29      306.847     26.0782     126.847     
1 1 1 3  11 9  o 397.219 2.53435 292.097      5.40379   286.576      5.02928   395.7       326.794     60.2014     326.794     
1 1 1 3  11 10 o 440.492 2.77167 361.041      6.33462   350.711      6.32181   470.067     196.398     128.721     196.398     
1 1 1 3  11 11 o 137.766 2.12048 33.9335      1.50725   35.6765      1.52094   114.503     305.234     12.3206     305.234     
1 1 1 3  11 12 o 160.037 2.1349  45.4294      1.76267   48.5215      1.77847   119.326     193.315     34.4474     13.3154     
1 1 1 3  11 13 o 378.627 2.42546 267.693      4.76419   258.201      4.75546   376.122     70.0609     59.9127     70.0609     
1 1 1 3  11 14 o 413.885 2.52783 314.553      5.42255   313.889      5.42391   424.006     75.8902     90.7248     75.8902     
1 1 1 3  11 15 o 314.833 2.44275 183.446      3.99001   180.208      3.98276   366.491     348.144     167.617     348.144     
1 1 1 3  11 16 o 319.544 2.46794 188.559      4.09228   186.106      4.08337   315.953     298.047     54.2619     298.047     
1 1 1 3  11 17 o 280.5   2.23044 142.487      3.23957   146.196      3.24621   278.81      35.7213     53.5333     35.7213     
1 1 1 3  11 18 o 371.87  2.44758 258.306      4.72556   249.279      4.70962   367.258     355.638     58.4933     355.638     
1 1 1 3  11 19 o 130.295 2.21134 30.8665      1.49403   31.4368      1.49293   130.058     191.314     48.024      191.314     
1 1 1 3  11 20 o 263.999 2.55497 126.594      3.49677   129.329      3.49568   293.282     58.0991     112.308     58.0991     
1 1 1 3  11 21 o 49.2767 2.46861 4.0873       0.618275  4.89177      0.631753  15.3198     311.86      18.3001     131.86      
1 1 1 3  11 22 o 52.549  2.49059 5.10078      0.674392  5.08631      0.674606  23.9243     171.464     18.3567     351.464     
1 1 1 3  11 23 o 187.826 2.28272 66.4429      2.22647   63.1266      2.21762   189.618     108.664     45.3735     108.664     
1 1 1 3  11 24 o 182.85  2.14306 61.904       2.03063   60.8597      2.03171   116.965     79.0651     92.1762     259.065     
1 1 1 3  11 25 o 215.678 2.27871 85.5484      2.45534   85.3105      2.6363    184.587     108.228     14.9453     288.228     
1 1 1 3  11 26 o 76.4304 2.40348 10.6053      0.951296  10.9014      0.948191  70.3775     176.917     40.6581     176.917     
1 1 1 3  11 27 o 101.949 2.25195 19.6201      1.2352    18.6042      1.14203   41.8902     222.504     92.511      42.5036     
1 1 1 3  11 28 o 43.8824 2.79561 3.71306      0.632515  3.42996      0.625126  16.9841     348.39      19.0236     168.39      
1 1 1 3  11 29 o 49.8625 2.61805 4.95156      0.696844  4.25527      0.646766  13.6074     273.852     50.2664     93.8516     
1 1 1 3  11 30 o 149.123 2.19508 41.934       1.69885   39.8028      1.69396   128.041     216.77      3.0892      36.7698     
1 1 1 3  11 31 o 95.6579 2.25255 17.0957      1.11428   16.585       1.11624   79.4267     262.3       1.58545     82.2999     
1 1 1 3  11 32 o 52.2704 2.65874 4.94342      0.740477  5.1731       0.687993  32.2978     54.5303     11.5093     54.5303     
1 1 1 3  11 33 o 95.1001 2.44904 16.9126      1.20424   16.4446      1.20607   78.9878     107.812     0.807684    287.812     
1 1 1 3  11 34 o 95.7037 2.27773 16.8646      1.12742   16.9151      1.12928   91.2269     151.044     22.4704     151.044     
1 1 1 3  11 35 o 132.858 2.25446 32.9951      1.55165   32.0961      1.55331   116.752     158.064     5.9643      158.064     
1 1 1 3  11 36 o 95.0384 2.54454 15.102       1.27249   18.4371      1.21351   70.1115     260.818     21.0035     80.8175     
1 1 1 3  11 37 o 109.286 2.43941 22.0711      1.38338   22.1848      1.37694   90.5223     121.12      4.10753     301.12      
1 1 1 3  11 38 o 93.0979 2.33119 16.7765      1.12546   15.385       1.11958   91.7235     14.8342     27.9507     14.8342     
1 1 1 3  11 39 o 33.6678 3.1768  2.00061      0.541128  2.32579      0.536553  26.1596     41.0722     7.09101     41.0722     
1 1 1 3  11 40 o 75.6341 2.42289 10.7679      0.949072  10.5809      0.94578   63.1461     327.197     0.91996     327.197     
1 1 1 3  11 41 o 66.9401 2.48412 8.86695      0.864361  7.93877      0.852084  62.9121     188.107     15.9456     188.107     
1 1 1 3  11 42 o 56.7438 2.76113 5.66257      0.797062  6.53412      0.815141  41.4528     202.444     9.94713     22.4442     
1 1 1 3  11 43 o 23.9787 4.28345 1.52017      0.548355  0.827098     0.542103  9.08387     354.93      18.1474     174.93      
1 1 1 3  11 44 o 22.2173 3.95056 1.59851      0.488568  0.356125     0.527887  13.2233     162.78      7.356       162.78      
1 1 1 3  11 45 o 26.757  3.92536 1.4595       0.520911  1.44864      0.532217  20.1024     289.798     0.987018    289.798     
1 1 1 3  11 46 o 38.4224 3.46511 3.57002      0.638554  2.32276      0.66897   24.1563     339.92      12.236      159.92      
1 1 1 3  11 47 o 31.8932 3.86244 3.16057      0.633539  1.18637      0.563619  20.3488     0.0982048   8.19689     180.098     
1 1 1 3  11 48 o 43.9328 3.05808 3.96978      0.684813  3.60436      0.688124  36.7601     224.131     4.87974     224.131     
1 1 1 3  11 49 o 35.6063 3.82249 2.08847      0.661767  3.2001       0.682379  32.0749     313.034     10.2479     313.034     
1 1 1 3  11 50 o 7.43558 2.61824 -0.973067    0.41942   -0.88461     0.378812  3.63012     29.1674     11.9083     29.1674     
1 1 1 3  11 51 o 13.2026 3.95497 0.319415     0.478054  -0.0575394   0.477434  3.23199     203.565     8.48584     23.5655     
1 1 1 3  11 52 o 31.5439 4.27091 2.81554      0.675698  1.70293      0.662908  25.853      263.256     5.09254     263.256     
1 1 1 3  11 53 o 13.9994 4.19516 -0.0555537   0.557856  0.453692     0.531269  3.4103      287.237     1.73136     107.237     
1 1 1 3  11 54 o 21.2251 4.40204 1.94917      0.642969  0.16105      0.612608  10.2001     213.442     8.72515     33.4418     
1 1 1 3  11 55 o 18.0358 4.60626 1.07333      0.574598  0.521025     0.566261  9.78813     127.932     2.42441     127.932     
1 1 1 3  11 56 o 15.7172 4.35594 0.240731     0.542022  0.816582     0.536332  2.74156     307.699     0.102289    307.699     
1 1 1 3  11 57 o 19.0825 5.01416 0.627925     0.585852  1.46724      0.754544  8.58108     291.439     0.979107    291.439     
1 1 1 3  11 58 o 10.3785 3.54662 -0.860193    0.624104  -0.302064    0.554687  1.10146     158.526     8.43301     158.526     
1 1 1 3  11 59 o 14.0512 4.36474 0.29804      0.644496  0.374099     0.584213  2.68196     307.887     9.64908     127.887     
1 1 1 3  11 60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  12 0  o 242.397 2.09739 107.751      2.63446   107.751      2.63446   240.517     90          28.142      90          
1 1 1 3  12 1  f 517.681 2.99224 486.729      8.02501   496.35       8.03354   505.913     154.248     0           0           
1 1 1 3  12 2  f 298.451 2.36834 165.734      3.66731   160.929      3.66009   316.88      11.238      0           0           
1 1 1 3  12 3  o 234.165 2.1716  101.624      2.73107   99.45        2.53911   254.647     219.104     96.7687     219.104     
1 1 1 3  12 4  o 554.303 3.38351 565.425      9.72165   561.948      9.72181   626.886     339.764     228.728     339.764     
1 1 1 3  12 5  o 107.098 2.35699 21.3349      1.30541   20.7715      1.30817   61.7785     83.3741     8.41654     83.3741     
1 1 1 3  12 6  o 103.456 2.35281 18.8865      1.25499   20.4212      1.26409   58.0342     89.8401     14.3764     269.84      
1 1 1 3  12 7  o 338.306 2.70662 208.841      4.74433   210.988      4.74847   307.299     88.8948     3.46732     268.895     
1 1 1 3  12 8  o 175.03  2.37755 56.3195      2.15505   56.0414      2.15915   196.451     117.927     124.507     117.927     
1 1 1 3  12 9  o 433.198 2.73293 349.368      6.16227   339.13       6.11108   451.659     226.66      108.848     226.66      
1 1 1 3  12 10 o 61.9777 2.43489 7.00851      0.775277  7.12544      0.78308   6.64401     143.438     55.0979     143.438     
1 1 1 3  12 11 o 118.344 2.25034 25.9487      1.31637   25.4603      1.43807   71.0841     121.745     42.927      301.745     
1 1 1 3  12 12 o 253.302 2.14781 118.514      2.82216   116.832      2.81796   203.653     56.4786     47.4746     236.479     
1 1 1 3  12 13 o 153.189 2.0301  43.1951      1.61139   42.8793      1.61268   98.8636     102.896     63.3519     282.896     
1 1 1 3  12 14 o 363.048 2.48586 239.436      4.82478   244.235      4.52326   442.234     176.699     229.736     176.699     
1 1 1 3  12 15 o 332.997 2.49249 203.419      4.30329   203.538      4.30139   357.924     188.388     114.316     188.388     
1 1 1 3  12 16 o 141.043 2.04601 36.7481      1.49478   36.2378      1.49687   131.846     107.844     29.318      107.844     
1 1 1 3  12 17 o 95.7461 2.07921 16.7536      1.02939   16.9161      1.03201   66.068      2.66455     16.3543     182.665     
1 1 1 3  12 18 o 116.978 2.13624 24.6546      1.33284   25.5872      1.25349   75.2511     326.166     50.1905     146.166     
1 1 1 3  12 19 o 159.837 2.38769 46.3217      1.97807   47.4814      1.97824   173.134     236.497     65.9861     236.497     
1 1 1 3  12 20 o 194.713 2.44204 69.3068      2.4684    69.923       2.4611    204.639     158.208     62.246      158.208     
1 1 1 3  12 21 o 29.6362 2.87425 1.51519      0.422525  1.77856      0.435914  8.73669     138.433     35.2357     138.433     
1 1 1 3  12 22 o 188.362 2.28014 65.5777      2.22688   64.7221      2.22567   146.653     306.816     42.2679     126.816     
1 1 1 3  12 23 o 141.523 2.11366 35.7885      1.54476   37.7671      1.55584   125.751     104.58      4.35628     104.58      
1 1 1 3  12 24 o 283.687 2.29598 145.174      3.37053   150.471      3.38141   263.494     194.482     20.6452     194.482     
1 1 1 3  12 25 o 149.933 2.22132 40.7811      1.7846    41.7927      1.6644    135.098     98.2306     8.40636     98.2306     
1 1 1 3  12 26 o 108.407 2.34144 21.9273      1.31296   21.2954      1.31519   76.5448     221.691     33.2174     41.6907     
1 1 1 3  12 27 o 66.5499 2.50317 7.9304       0.856431  8.3996       0.864028  51.9642     93.2466     0.436469    93.2465     
1 1 1 3  12 28 o 67.6401 2.4948  8.76219      0.876104  8.11187      0.866627  26.9377     148.427     58.3144     328.427     
1 1 1 3  12 29 o 27.3402 3.58505 1.12948      0.490348  1.74301      0.481147  10.441      224.265     48.361      224.265     
1 1 1 3  12 30 o 28.9689 3.36113 1.77808      0.481292  1.40871      0.488244  6.25085     9.26497     40.2414     9.26496     
1 1 1 3  12 31 o 81.1919 2.29327 13.508       0.972328  10.8566      0.947804  58.8744     352.572     15.3113     172.572     
1 1 1 3  12 32 o 88.6219 2.28007 14.9121      1.04747   14.045       1.04327   69.147      248.041     9.07477     68.0412     
1 1 1 3  12 33 o 104.229 2.43257 20.1218      1.30883   19.9768      1.31606   86.0981     61.5582     4.22921     241.558     
1 1 1 3  12 34 o 53.9348 2.63923 5.34467      0.703488  5.45781      0.762433  48.8199     319.051     13.0239     319.051     
1 1 1 3  12 35 o 112.999 2.39647 23.3344      1.39392   23.8968      1.41033   99.8655     81.8938     7.69938     81.8938     
1 1 1 3  12 36 o 35.248  3.21596 2.68884      0.576895  2.03884      0.562525  20.8238     56.9295     10.2232     236.93      
1 1 1 3  12 37 o 35.9619 3.07304 2.34177      0.545282  2.55457      0.577339  27.8229     324.733     7.27901     324.733     
1 1 1 3  12 38 o 144.413 2.27793 37.8797      1.69878   39.4814      1.71132   128.251     120.296     12.8235     120.296     
1 1 1 3  12 39 o 42.9965 2.79849 3.50781      0.615534  3.46777      0.617878  35.3434     66.6564     3.2284      66.6564     
1 1 1 3  12 40 o 75.0982 2.42291 11.2085      0.94776   9.90933      0.931755  69.7135     162.945     15.5373     162.945     
1 1 1 3  12 41 o 52.5865 2.77827 5.08772      0.751545  5.38523      0.751621  44.101      6.05087     2.92521     6.05085     
1 1 1 3  12 42 o 35.6509 3.59202 3.06583      0.645228  1.95995      0.62162   38.1612     25.8959     23.8327     25.8959     
1 1 1 3  12 43 o 19.7889 4.35092 0.955051     0.499441  0.594913     0.50394   11.2697     36.6834     2.32109     216.683     
1 1 1 3  12 44 o 69.5816 2.6529  9.90085      0.924385  8.5151       0.972842  59.0147     108.006     5.07191     108.006     
1 1 1 3  12 45 o 16.8844 4.10561 0.264871     0.445207  0.772633     0.460487  7.18839     354.727     3.91339     174.727     
1 1 1 3  12 46 o 18.0184 4.10062 0.0565627    0.455487  1.14072      0.528083  7.57495     312.724     1.69706     312.724     
1 1 1 3  12 47 f 21.8252 4.6048  1.15347      0.570479  0.88748      0.555899  18.7291     207.878     0           0           
1 1 1 3  12 48 o 12.3779 3.74495 -0.17243     0.430704  0.23722      0.444846  0.553163    95.3464     15.2777     95.3464     
1 1 1 3  12 49 o 24.4603 4.39294 0.897951     0.569077  1.76373      0.584419  18.87       194.549     3.3114      194.549     
1 1 1 3  12 50 o 28.2026 4.18284 2.00102      0.616594  1.50269      0.569333  21.4259     300.013     1.26327     300.013     
1 1 1 3  12 51 o 15.9826 4.27813 0.669696     0.499621  0.320699     0.489787  8.10633     35.8849     1.72866     215.885     
1 1 1 3  12 52 o 13.1399 3.88751 -0.619131    0.513144  0.58332      0.504286  3.15929     346.966     3.82534     166.966     
1 1 1 3  12 53 o 26.1186 5.38995 1.75679      0.800318  1.89881      0.754307  14.9333     118.563     7.18745     298.563     
1 1 1 3  12 54 o 11.4595 3.7614  -0.163281    0.494348  -0.209276    0.57596   0.222871    18.1445     11.5206     18.1444     
1 1 1 3  12 55 o 16.7972 4.6233  0.455531     0.610639  0.87436      0.576963  6.43357     190.135     0.841585    190.135     
1 1 1 3  12 56 o 28.0534 4.73213 2.03189      0.707087  2.04946      0.650784  22.3992     78.7593     7.97628     78.7593     
1 1 1 3  12 57 o 25.9406 4.98509 1.85001      0.703371  1.8477       0.672566  17.8827     57.432      1.67966     57.4321     
1 1 1 3  12 58 o 18.802  4.87627 1.33016      0.64673   0.717361     0.636947  4.27785     302.969     2.00789     302.969     
1 1 1 3  12 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  13 0  o 419.906 2.5122  323.332      5.46723   323.332      5.46723   436.137     270         92.7703     270         
1 1 1 3  13 1  o 160.982 2.07131 48.4253      1.66425   46.621       1.78759   92.3098     38.4027     94.153      218.403     
1 1 1 3  13 2  o 285.589 2.34509 150.62       3.47487   148.537      3.46828   215.696     259.408     86.5911     79.4079     
1 1 1 3  13 3  o 286.244 2.27836 146.713      3.49176   153.849      3.25837   233.011     99.507      52.3203     279.507     
1 1 1 3  13 4  o 214.22  2.41775 85.8976      2.68781   82.4517      2.68097   214.214     301.269     54.1904     301.269     
1 1 1 3  13 5  o 215.122 2.41796 82.7348      2.69119   87.0484      2.70029   261.483     85.3618     161.95      85.3618     
1 1 1 3  13 6  o 117.337 2.35019 24.0406      1.42098   26.5337      1.43296   65.8181     150.342     32.4756     150.342     
1 1 1 3  13 7  o 192.208 2.40506 68.9769      2.39724   66.5605      2.39467   139.861     239.407     57.7674     59.4066     
1 1 1 3  13 8  o 81.5919 2.52382 11.6294      1.01284   12.8578      1.11751   17.8196     216.702     63.1718     36.7021     
1 1 1 3  13 9  o 250.779 2.58966 113.466      3.18243   117.318      3.54586   295.825     13.0505     153.308     13.0505     
1 1 1 3  13 10 o 63.2216 2.25719 8.17295      0.774747  6.57152      0.69954   23.4157     4.47571     123.562     4.47571     
1 1 1 3  13 11 f 119.815 2.17929 26.6632      1.35077   26.0389      1.35379   86.2066     175.148     0           0           
1 1 1 3  13 12 o 374.979 2.41406 259.858      4.6929    256.15       4.69154   361.854     160.225     42.8098     160.225     
1 1 1 3  13 13 o 352.648 2.37489 229.251      4.34047   227.153      4.34196   370.543     279.25      102.854     279.25      
1 1 1 3  13 14 o 101.048 2.18314 18.6493      1.14306   18.8548      1.14123   70.0621     331.624     18.9773     151.624     
1 1 1 3  13 15 o 89.3638 2.13655 14.4303      0.953802  14.9113      1.02248   70.9289     186.429     24.3772     186.429     
1 1 1 3  13 16 o 284.401 2.24584 148.397      3.30935   148.492      3.31236   271.312     323.61      29.4273     323.61      
1 1 1 3  13 17 o 156.59  2.06412 42.5265      1.66584   47.5342      1.68201   136.32      102.366     4.97876     282.366     
1 1 1 3  13 18 o 61.051  2.411   6.498        0.779183  7.24173      0.73586   24.8758     354.119     44.9944     174.119     
1 1 1 3  13 19 o 106.009 2.38589 20.9232      1.31128   20.3926      1.3074    77.4899     242.173     27.2348     62.173      
1 1 1 3  13 20 o 169.99  2.1848  53.3492      1.85803   52.7551      1.98926   148.895     0.806408    2.9258      180.806     
1 1 1 3  13 21 o 44.8111 2.5988  4.03453      0.599426  3.40765      0.59413   4.45214     312.389     2.51624     132.389     
1 1 1 3  13 22 o 218.986 2.31989 86.2631      2.62633   89.9124      2.63985   205.857     58.4059     23.2806     58.4059     
1 1 1 3  13 23 o 210.937 2.17893 81.3545      2.37912   82.0608      2.38581   187.962     236.58      2.64085     236.58      
1 1 1 3  13 24 o 58.6432 2.3198  6.51108      0.701375  6.16537      0.702902  41.7041     286.469     8.96056     286.469     
1 1 1 3  13 25 o 234.698 2.22124 102.141      2.70352   100.215      2.70096   222.21      74.4938     30.1847     74.4938     
1 1 1 3  13 26 o 188.165 2.26343 65.4942      2.12304   64.6056      2.28802   162.526     35.2604     5.06685     215.26      
1 1 1 3  13 27 o 36.132  3.3092  2.00559      0.573289  2.93081      0.627607  6.99807     253.305     7.85593     73.3049     
1 1 1 3  13 28 o 66.6937 2.50344 8.26156      0.862625  8.14731      0.862086  58.8616     288.641     17.7882     288.641     
1 1 1 3  13 29 o 179.407 2.28208 59.002       2.18733   59.3763      2.05467   155.662     275.936     0.508709    275.936     
1 1 1 3  13 30 o 27.8995 3.5031  1.97491      0.483342  1.05009      0.476957  12.204      131.586     54.2734     131.586     
1 1 1 3  13 31 o 76.9939 2.31485 10.6673      0.917232  11.2061      0.926055  59.0594     185.995     7.99671     5.99499     
1 1 1 3  13 32 f 168.55  2.22176 52.9916      1.94044   51.6809      1.9416    136.904     84.6143     0           0           
1 1 1 3  13 33 f 18.4959 3.98628 0.362034     0.457243  0.869303     0.417577  23.0889     55.643      0           0           
1 1 1 3  13 34 o 56.0219 2.89158 5.54035      0.824806  6.17256      0.841901  54.2634     186.706     19.7532     186.706     
1 1 1 3  13 35 o 40.7294 2.99111 3.26846      0.660113  2.9722       0.584698  28.4747     283.447     5.17158     103.447     
1 1 1 3  13 36 o 60.6456 2.6339  6.24701      0.814838  7.49835      0.828857  37.7008     66.6513     24.265      246.651     
1 1 1 3  13 37 o 29.9264 3.36605 1.46144      0.491683  2.00427      0.511664  15.3104     43.8178     12.3361     223.818     
1 1 1 3  13 38 o 27.2928 3.57339 1.23768      0.48611   1.68324      0.484075  10.2359     154.834     19.7644     334.834     
1 1 1 3  13 39 o 108.634 2.31663 22.0634      1.30381   21.9719      1.30227   103.308     117.149     25.8023     117.149     
1 1 1 3  13 40 o 37.0025 3.12242 2.78251      0.600662  2.48121      0.573189  29.8248     357.614     1.89356     357.614     
1 1 1 3  13 41 o 20.2842 4.36728 0.873127     0.474774  0.760367     0.530805  11.7655     143.495     2.09425     323.495     
1 1 1 3  13 42 o 36.6375 3.28451 2.65297      0.605981  2.55887      0.613144  33.6033     291.578     10.4594     291.578     
1 1 1 3  13 43 o 44.2226 3.09565 3.67264      0.69406   3.88529      0.706406  33.7972     235.282     2.81183     55.2824     
1 1 1 3  13 44 o 10.9153 3.47499 -0.239316    0.401526  -0.075851    0.426638  3.12682     70.8717     16.868      70.8718     
1 1 1 3  13 45 o 34.7295 3.35952 2.40068      0.5829    2.37944      0.59483   28.1697     191.006     3.19517     191.006     
1 1 1 3  13 46 o 63.1652 2.66181 7.28209      0.853565  8.06039      0.881022  58.7812     316.066     17.3247     316.066     
1 1 1 3  13 47 o 50.1427 3.17361 6.00234      0.82378   4.03422      0.786035  36.9403     71.7234     4.97251     251.723     
1 1 1 3  13 48 o 38.2672 3.44095 3.29957      0.697909  2.67142      0.635437  33.554      319.665     8.61826     319.665     
1 1 1 3  13 49 o 28.6242 4.39833 1.3642       0.614031  2.32331      0.665053  20.6918     121.995     1.01426     301.995     
1 1 1 3  13 50 o 42.8016 3.59975 4.72455      0.772271  3.04764      0.755102  28.4117     165.314     9.10899     345.314     
1 1 1 3  13 51 o 38.2831 3.67681 3.10694      0.688498  3.18467      0.732509  27.0076     198.637     3.86951     18.6369     
1 1 1 3  13 52 o 35.3561 4.47002 2.75197      0.849564  3.08522      0.710186  25.3538     192.225     1.59755     12.2248     
1 1 1 3  13 53 o 31.7706 4.89003 2.65934      0.789379  2.40263      0.775985  20.4446     211.455     5.43792     31.4551     
1 1 1 3  13 54 o 22.8418 4.79784 1.5102       0.613376  1.23401      0.612072  10.4478     228.212     10.7809     48.2121     
1 1 1 3  13 55 o 34.2605 4.16216 2.62305      0.717503  2.96835      0.704148  31.8587     128.435     16.561      128.435     
1 1 1 3  13 56 o 38.8223 3.85634 3.20577      0.747308  3.7815       0.75633   36.4123     185.457     18.3166     185.457     
1 1 1 3  13 57 o 23.0886 5.11357 1.22557      0.700246  1.93132      0.703076  12.9621     290.117     4.2663      110.117     
1 1 1 3  13 58 o 25.53   5.13725 2.2181       0.760854  1.61889      0.669928  20.2682     72.8882     8.34789     72.8882     
1 1 1 3  14 0  o 97.919  1.98433 17.621       1.00532   17.621       1.00532   15.4824     89.9999     4.27034     89.9999     
1 1 1 3  14 1  o 104.225 1.98482 20.5713      1.07191   19.3105      1.07002   54.2757     39.6144     43.6433     219.614     
1 1 1 3  14 2  o 147.633 2.13869 38.3819      1.62944   41.6015      1.64241   136.373     92.6356     37.6981     92.6356     
1 1 1 3  14 3  o 37.7416 2.48108 2.48289      0.475283  2.79343      0.483413  67.7847     88.2656     168.078     88.2656     
1 1 1 3  14 4  o 212.777 2.13896 81.3786      2.43845   84.7201      2.27291   164.237     39.4432     47.9764     219.443     
1 1 1 3  14 5  o 206.634 2.41731 77.9122      2.58662   78.7602      2.59174   216.014     194.242     74.22       194.242     
1 1 1 3  14 6  o 246.833 2.49128 109.389      3.18159   114.221      3.19262   213.224     358.928     14.3319     178.928     
1 1 1 3  14 7  o 205.203 2.65001 76.7512      2.81256   77.8107      2.82499   186.467     272.593     12.2853     272.593     
1 1 1 3  14 8  o 90.4143 2.60738 14.3392      1.21276   15.7332      1.22462   22.9119     122.12      95.9663     302.12      
1 1 1 3  14 9  o 204.811 2.5479  79.6649      2.8277    74.3586      2.58278   220.82      131.492     84.1757     131.492     
1 1 1 3  14 10 o 341.233 2.40971 211.343      4.40822   216.055      4.10739   350.996     253.777     85.3369     253.777     
1 1 1 3  14 11 o 159.452 2.19767 46.2806      1.81406   47.026       1.81878   143.875     23.346      11.1462     23.346      
1 1 1 3  14 12 o 346.232 2.43761 216.693      4.21138   223.423      4.53643   385.543     55.0766     145.856     55.0766     
1 1 1 3  14 13 o 157.021 2.11885 45.8531      1.7815    44.6367      1.6671    81.1078     340.374     116.946     160.374     
1 1 1 3  14 14 o 143.026 2.19402 37.7873      1.62815   37.3014      1.62506   158.13      135.094     68.3966     135.094     
1 1 1 3  14 15 o 154.316 2.07044 44.3416      1.65731   43.0659      1.6548    177.946     182.558     87.1978     182.558     
1 1 1 3  14 16 o 18.855  3.28035 0.898888     0.329178  0.466016     0.321775  37.0703     9.5438      87.3505     9.5438      
1 1 1 3  14 17 o 100.277 2.20008 18.4825      1.13917   18.4733      1.14522   113.83      291.321     76.0727     291.321     
1 1 1 3  14 18 o 117.209 2.37951 25.4179      1.44446   25.0854      1.44392   98.3757     127.701     4.88962     307.701     
1 1 1 3  14 19 o 112.269 2.23333 23.5592      1.30058   22.7702      1.29601   126.596     92.2606     69.0114     92.2606     
1 1 1 3  14 20 o 273.313 2.43538 138.512      3.19446   135.957      3.68381   248.41      46.4969     10.1361     46.497      
1 1 1 3  14 21 o 115.01  2.34295 25.6832      1.45211   22.9885      1.33929   81.8143     322.076     34.4361     142.076     
1 1 1 3  14 22 o 171.732 2.12952 55.0373      1.89715   53.2811      1.89388   113.769     306.614     74.705      126.614     
1 1 1 3  14 23 o 192.135 2.15901 68.8673      2.15252   66.7336      2.14767   210.832     354.748     85.6643     354.748     
1 1 1 3  14 24 f 56.9423 2.35638 5.52283      0.685802  6.45181      0.696668  51.181      244.142     0           0           
1 1 1 3  14 25 o 92.429  2.19713 15.2611      1.04776   16.172       1.0541    96.5901     305.775     41.9865     305.775     
1 1 1 3  14 26 o 56.8556 2.38518 5.90333      0.69502   6.02488      0.704574  32.9101     274.302     19.1576     274.302     
1 1 1 3  14 27 o 139.204 2.42782 34.2462      1.6708    37.0668      1.83351   126.036     224.982     13.4123     224.982     
1 1 1 3  14 28 o 38.6158 3.19473 2.53225      0.646445  3.05914      0.595591  8.43546     138.939     28.8382     318.939     
1 1 1 3  14 29 o 51.2784 2.60821 5.58604      0.712685  4.20374      0.660128  28.2597     216.113     19.3073     36.113      
1 1 1 3  14 30 o 122.466 2.2081  28.0765      1.39777   27.1907      1.40305   120.531     359.533     33.6594     359.533     
1 1 1 3  14 31 o 150.424 2.21297 41.1579      1.72233   42.2425      1.7286    134.231     55.0217     10.8956     55.0217     
1 1 1 3  14 32 o 80.6311 2.29026 12.1986      0.953825  11.8377      0.956533  71.3493     205.287     7.8258      205.287     
1 1 1 3  14 33 o 102.614 2.38273 18.4016      1.25222   20.6041      1.27732   85.9633     92.9714     1.32906     272.971     
1 1 1 3  14 34 o 45.7427 3.16932 3.12502      0.713464  4.84556      0.745256  27.5543     9.43809     17.5637     189.438     
1 1 1 3  14 35 o 72.1421 2.67624 10.1691      0.952615  9.25149      1.03418   57.7903     219.377     3.5245      39.3775     
1 1 1 3  14 36 o 98.4224 2.30686 18.5179      1.1751    17.4908      1.17475   91.3591     159.589     18.6362     159.589     
1 1 1 3  14 37 o 68.8844 2.4124  9.04958      0.861299  8.67116      0.855923  68.2588     252.394     23.8939     252.394     
1 1 1 3  14 38 o 25.306  3.71715 1.326        0.469739  1.20848      0.473567  17.1254     228.593     1.70431     228.593     
1 1 1 3  14 39 o 13.8657 3.73724 0.47636      0.401017  -0.0170769   0.384567  0.17009     1.91293     12.3452     181.913     
1 1 1 3  14 40 o 32.0245 3.52566 2.54438      0.569976  1.53021      0.542352  17.1737     197.677     16.0605     17.6772     
1 1 1 3  14 41 o 51.2705 2.8677  4.79351      0.749434  5.23627      0.761688  44.7561     137.385     7.13602     137.385     
1 1 1 3  14 42 o 71.9747 2.50187 9.82532      0.929656  9.77257      0.931443  66.8359     126.035     17.1442     126.035     
1 1 1 3  14 43 o 42.7766 3.04485 4.00333      0.69346   3.12008      0.635867  39.936      34.8894     13.0961     34.8895     
1 1 1 3  14 44 o 41.9408 3.15732 3.19598      0.643001  3.69754      0.709238  39.9552     50.6212     15.0798     50.6212     
1 1 1 3  14 45 o 33.6615 3.49233 2.07264      0.575918  2.48125      0.604866  20.3856     174.481     11.0444     354.481     
1 1 1 3  14 46 o 17.8848 4.29146 0.722867     0.469865  0.573778     0.483472  6.65475     332.451     10.6019     152.451     
1 1 1 3  14 47 o 34.2514 3.78379 2.43453      0.615986  2.43807      0.681274  22.922      86.498      6.53194     266.498     
1 1 1 3  14 48 o 23.8865 4.54685 1.02494      0.616986  1.55115      0.561477  16.2632     200.752     1.53323     20.7518     
1 1 1 3  14 49 o 15.8945 4.35045 0.767485     0.548761  0.100188     0.522634  8.16525     29.8097     1.36557     209.81      
1 1 1 3  14 50 o 12.6154 3.92558 0.260915     0.535583  -0.199157    0.470489  2.41262     210.158     6.96299     30.158      
1 1 1 3  14 51 o 9.91641 3.34963 -0.612329    0.472787  -0.319455    0.494327  0.353177    100.468     3.94689     100.468     
1 1 1 3  14 52 o 14.4404 4.03358 -0.707343    0.548809  0.904707     0.546685  4.42328     70.4454     5.9789      250.445     
1 1 1 3  14 53 o 12.6731 3.9907  0.260344     0.542748  -0.147028    0.529253  0.633575    113.238     0.558787    293.238     
1 1 1 3  14 54 o 10.2994 3.4479  -0.482332    0.486836  -0.185353    0.495662  1.67867     260.78      10.511      260.78      
1 1 1 3  14 55 o 16.8745 4.79944 0.784895     0.711562  0.655879     0.576189  3.33077     280.711     0.0464381   280.711     
1 1 1 3  14 56 o 17.7538 4.76235 1.25141      0.642139  0.403461     0.641561  8.17927     147.812     0.9948      327.812     
1 1 1 3  14 57 o 14.8032 4.49296 0.542539     0.621181  0.37551      0.618832  3.57545     341.101     0.509942    161.101     
1 1 1 3  14 58 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  15 0  o 46.2438 2.18065 3.97336      0.517307  3.97336      0.517307  10.1663     270         53.4643     270         
1 1 1 3  15 1  o 150.516 2.00772 41.2687      1.56677   41.8497      1.56607   94.8509     70.1933     72.1328     250.193     
1 1 1 3  15 2  o 97.1786 2.0888  17.1301      1.01099   17.5535      1.09031   59.662      202.226     32.5745     22.2255     
1 1 1 3  15 3  o 104.262 2.14361 20.6926      1.159     19.2426      1.15456   67.1007     333.837     34.0121     153.837     
1 1 1 3  15 4  o 161.455 2.06444 48.8818      1.79231   46.7776      1.66301   143.66      201.47      7.5342      201.47      
1 1 1 3  15 5  o 160.581 2.47806 45.7624      1.96352   48.9267      2.162     151.904     216.465     26.2431     216.465     
1 1 1 3  15 6  o 72.4796 2.69158 9.14737      0.996626  10.2116      1.01744   38.4553     82.5866     4.62821     262.587     
1 1 1 3  15 7  o 179.724 2.6181  59.1043      2.43072   59.5074      2.44743   173.104     187.38      30.1798     187.38      
1 1 1 3  15 8  o 21.0756 3.61666 1.38582      0.439791  0.320754     0.410363  17.3069     334.019     40.2526     334.019     
1 1 1 3  15 9  o 54.6836 2.60508 5.70481      0.733329  5.32972      0.734188  17.3752     358.311     35.2682     178.311     
1 1 1 3  15 10 o 157.292 2.40509 45.2328      1.9563    45.6077      1.96563   114.96      264.465     49.3806     84.4649     
1 1 1 3  15 11 o 33.5136 2.68505 2.30997      0.484616  1.87973      0.431982  17.5835     77.1421     73.4365     77.1421     
1 1 1 3  15 12 o 229.589 2.30702 95.9018      2.74196   97.641       2.7491    227.245     316.703     43.9967     316.703     
1 1 1 3  15 13 o 156.33  2.19829 44.7701      1.78081   44.956       1.78197   113.28      64.3261     50.0317     244.326     
1 1 1 3  15 14 o 164.933 2.13324 49.8779      1.76306   49.9931      1.88272   180.057     58.6217     71.6187     58.6217     
1 1 1 3  15 15 o 155.816 2.06593 44.5758      1.66867   44.5548      1.66857   84.0222     35.1598     107.63      215.16      
1 1 1 3  15 16 o 90.9746 2.19126 15.2378      1.03121   15.1897      1.03246   50.3692     65.7042     53.1217     245.704     
1 1 1 3  15 17 o 150.841 2.3113  40.1673      1.86768   43.4403      1.73711   63.964      144.761     138.015     324.761     
1 1 1 3  15 18 o 74.753  2.33436 9.60276      0.898453  10.9883      0.903305  49.1899     105.476     21.4676     285.476     
1 1 1 3  15 19 o 64.4003 2.36098 7.72428      0.788197  7.55447      0.782703  42.2854     248.434     23.0203     248.434     
1 1 1 3  15 20 o 49.6741 2.64191 4.66669      0.649389  4.45716      0.698645  21.5058     18.6568     25.3484     198.657     
1 1 1 3  15 21 o 131.132 2.19285 31.3998      1.53301   31.7657      1.4463    110.151     149.266     6.32964     329.266     
1 1 1 3  15 22 f 69.3757 2.23608 9.98256      0.804288  7.80426      0.79183   31.2423     89.2788     0           0           
1 1 1 3  15 23 o 47.091  2.46438 4.17322      0.595803  4.0251       0.598563  18.7513     46.4445     31.0785     226.444     
1 1 1 3  15 24 o 31.997  3.06525 1.67996      0.48927   2.17642      0.49442   20.8594     358.623     86.5926     358.623     
1 1 1 3  15 25 o 91.2814 2.19873 16.4422      1.04091   14.2617      1.03328   83.7334     108.956     17.4865     108.956     
1 1 1 3  15 26 o 80.761  2.24833 12.1846      0.941051  11.8433      0.937615  46.1392     221.625     41.1983     41.6254     
1 1 1 3  15 27 o 39.6492 2.98097 2.57866      0.54757   3.31035      0.660759  13.7095     28.4473     18.0176     208.447     
1 1 1 3  15 28 o 123.716 2.57051 29.8101      1.64989   26.714       1.64017   124.548     111.416     40.1366     111.416     
1 1 1 3  15 29 o 82.7681 2.33092 12.5481      1.02632   12.7447      0.968382  84.9442     354.553     34.4233     354.553     
1 1 1 3  15 30 o 40.3017 2.74011 2.84512      0.56115   3.22351      0.56809   31.9685     280.086     5.83281     280.086     
1 1 1 3  15 31 o 58.112  2.43792 6.48197      0.728988  6.04799      0.732317  32.9817     66.5105     29.773      246.51      
1 1 1 3  15 32 o 138.246 2.29303 35.4402      1.59043   35.2234      1.69397   112.218     11.5415     10.0709     191.542     
1 1 1 3  15 33 o 60.7585 2.55771 6.81955      0.799447  6.92642      0.804343  60.9025     186.087     24.9587     186.087     
1 1 1 3  15 34 o 46.8837 2.96912 4.44858      0.741307  3.83637      0.686563  39.5585     51.2323     6.00421     51.2323     
1 1 1 3  15 35 o 103.562 2.67337 20.9872      1.43902   19.1166      1.42462   87.5674     19.4013     2.34298     19.4013     
1 1 1 3  15 36 o 17.8395 3.6606  0.152778     0.391153  1.01367      0.411764  1.81753     345.603     1.58668     165.603     
1 1 1 3  15 37 o 81.0619 2.36318 12.5863      0.990482  11.9924      0.990767  73.3388     322.26      13.1054     322.26      
1 1 1 3  15 38 o 33.3493 3.19009 2.51502      0.539075  1.80726      0.524252  26.154      207.598     1.04384     207.598     
1 1 1 3  15 39 o 44.2029 2.94763 3.79324      0.663991  3.66789      0.670501  36.3181     48.7068     1.98522     48.7068     
1 1 1 3  15 40 o 43.3783 3.00229 4.05324      0.651633  3.19434      0.669274  46.6696     239.976     26.0821     239.976     
1 1 1 3  15 41 f 36.8816 3.31894 2.97163      0.627623  2.36614      0.607144  26.6471     338.009     0           0           
1 1 1 3  15 42 o 15.3844 4.05891 0.357516     0.428984  0.428462     0.440146  4.76471     95.7512     5.91548     275.751     
1 1 1 3  15 43 o 27.3292 4.42405 1.59607      0.574967  1.55134      0.651893  13.2644     301.068     14.5861     121.068     
1 1 1 3  15 44 o 73.3184 2.91189 9.69772      1.13352   11.1436      1.05844   67.8499     28.5075     19.1082     28.5075     
1 1 1 3  15 45 o 59.5286 2.7059  6.58104      0.823034  7.14904      0.837417  57.1226     145.455     20.7404     145.455     
1 1 1 3  15 46 o 53.4929 2.95127 6.2875       0.857707  5.03369      0.76596   42.9671     296.639     2.27209     296.639     
1 1 1 3  15 47 o 30.771  4.07327 2.90256      0.598656  1.28789      0.62945   27.384      83.4788     9.6484      83.4788     
1 1 1 3  15 48 o 16.7112 4.48047 0.991876     0.608969  -0.0153107   0.551244  5.24879     303.876     12.0711     123.876     
1 1 1 3  15 49 o 12.9673 3.95468 -0.157399    0.460115  0.356493     0.525446  2.90661     251.126     6.56305     71.1261     
1 1 1 3  15 50 o 29.0815 4.58803 1.80198      0.645121  2.23486      0.704884  23.6481     329.274     6.49089     329.274     
1 1 1 3  15 51 o 24.6128 5.00386 1.94089      0.730344  1.23555      0.628451  19.9522     281.227     10.0433     281.227     
1 1 1 3  15 52 o 39.0936 3.96852 4.05666      0.775547  2.95799      0.765173  31.7939     246.028     6.12316     246.028     
1 1 1 3  15 53 o 11.1268 3.68388 -0.0299588   0.529846  -0.520198    0.551342  0.127667    269.034     2.8085      89.0343     
1 1 1 3  15 54 o 21.1597 5.08339 1.34981      0.628062  1.19161      0.721366  10.5027     258.887     5.13336     78.8871     
1 1 1 3  15 55 f 14.6643 4.05803 1.07004      0.56988   -0.573024    0.514812  4.03316     9.71347     0           0           
1 1 1 3  15 56 o 21.3057 5.03657 0.98055      0.656263  1.74125      0.6939    13.9662     269.697     3.21085     269.697     
1 1 1 3  15 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  16 0  o 247.697 2.13899 112.569      2.74546   112.569      2.74546   255.763     90          61.9207     90          
1 1 1 3  16 1  o 114.619 2.00701 25.6228      1.19316   22.6502      1.18753   121.424     110.797     49.9511     110.797     
1 1 1 3  16 2  o 42.8544 2.25316 3.03698      0.490983  3.76137      0.499084  7.12523     108.219     12.2612     288.219     
1 1 1 3  16 3  o 56.334  2.2261  5.49041      0.616438  6.20628      0.678991  21.0296     222.592     5.44641     222.592     
1 1 1 3  16 4  o 99.9959 2.35358 17.8453      1.21295   18.9159      1.22304   67.0189     74.4578     37.0271     254.458     
1 1 1 3  16 5  o 48.0259 2.98497 5.05109      0.66489   3.55815      0.763564  10.7545     67.4382     42.2007     247.438     
1 1 1 3  16 6  o 169.763 2.60958 51.1444      2.28337   54.7497      2.30818   215.007     209.795     135.892     209.795     
1 1 1 3  16 7  o 155.295 2.39617 43.8222      1.92802   44.7429      1.92961   143.714     30.3506     14.4781     30.3506     
1 1 1 3  16 8  o 23.8375 3.58638 1.40043      0.429696  0.792493     0.433981  21.8165     21.0398     59.5335     21.0398     
1 1 1 3  16 9  o 71.3153 2.5043  9.6442       0.918517  9.08808      0.926316  56.3584     223.65      7.25985     223.65      
1 1 1 3  16 10 o 110.644 2.41516 24.2209      1.38403   20.8499      1.37755   98.6421     101.414     9.36413     101.414     
1 1 1 3  16 11 f 66.6209 2.47146 8.97953      0.799042  7.40779      0.884887  68.5715     217.366     0           0           
1 1 1 3  16 12 o 184.744 2.41758 63.1014      2.31532   62.2784      2.31493   147.901     166.934     30.7998     346.934     
1 1 1 3  16 13 o 104.172 2.31106 19.4858      1.18876   20.4175      1.30353   95.9089     334.578     17.8407     334.578     
1 1 1 3  16 14 o 203.908 2.10029 77.0089      2.22232   75.6638      2.21751   201.305     146.143     43.4106     146.143     
1 1 1 3  16 15 o 59.7566 2.30625 6.40836      0.709361  6.74972      0.713692  15.3673     3.91005     63.552      183.91      
1 1 1 3  16 16 o 136.648 2.29844 34.503       1.69115   34.0923      1.56313   124.224     63.0306     12.493      63.0306     
1 1 1 3  16 17 o 170.18  2.26975 52.6618      2.00384   53.7294      2.00046   119.109     135.855     60.2706     315.855     
1 1 1 3  16 18 o 74.5304 2.33224 9.85167      0.897371  10.6042      0.899349  18.8299     348.233     87.3827     168.233     
1 1 1 3  16 19 o 105.778 2.30226 20.8326      1.17477   20.3197      1.33919   84.8316     71.9526     10.292      251.953     
1 1 1 3  16 20 o 119.458 2.27128 27.2931      1.41057   25.2028      1.3985    118.098     99.8099     32.6565     99.8099     
1 1 1 3  16 21 o 136.726 2.13266 34.2686      1.51221   34.4153      1.51074   139.17      183.508     44.1825     183.508     
1 1 1 3  16 22 o 32.2605 2.95459 2.44491      0.475138  1.50899      0.46648   2.15536     39.7731     9.32012     219.773     
1 1 1 3  16 23 o 177.695 2.15499 58.4831      1.98362   57.5828      1.98619   129.68      124.749     48.4209     304.749     
1 1 1 3  16 24 o 43.8086 2.56695 3.8128       0.580115  3.31049      0.573302  18.2079     158.86      17.7062     338.86      
1 1 1 3  16 25 o 14.5972 3.68401 0.240981     0.351418  0.423621     0.359006  14.3967     83.8273     33.7216     83.8273     
1 1 1 3  16 26 o 26.1232 3.42455 0.962952     0.436094  1.68402      0.450527  21.1911     81.7831     76.859      81.7831     
1 1 1 3  16 27 o 217.228 2.32337 87.9225      2.52332   85.9985      2.70358   205.488     227.671     37.5286     227.671     
1 1 1 3  16 28 o 77.4512 2.67056 11.6527      1.07487   10.5862      1.06166   72.0213     211.718     15.8015     211.718     
1 1 1 3  16 29 o 167.519 2.40748 51.0085      2.23942   52.68        1.92375   155.977     216.552     26.2039     216.552     
1 1 1 3  16 30 o 40.0851 2.67757 2.95114      0.547747  3.05648      0.551701  20.812      334.114     20.758      154.114     
1 1 1 3  16 31 o 27.7023 3.31578 1.37621      0.455967  1.56925      0.461532  13.1888     122.228     3.37336     302.228     
1 1 1 3  16 32 o 119.985 2.37192 27.2369      1.47745   26.1868      1.46981   130.342     81.0731     60.1782     81.0731     
1 1 1 3  16 33 o 73.7443 2.34437 10.0943      0.893038  10.1364      0.894701  59.4009     134.985     2.78166     314.985     
1 1 1 3  16 34 o 27.0444 3.86272 1.74159      0.559426  1.16371      0.488918  10.0438     20.1909     19.4577     200.191     
1 1 1 3  16 35 o 36.2127 3.28569 2.16092      0.588291  2.90569      0.606908  29.1011     341.583     2.8669      341.583     
1 1 1 3  16 36 o 34.2383 3.14345 2.68323      0.53938   1.86279      0.533465  28.9508     302.2       6.02844     302.2       
1 1 1 3  16 37 o 11.7674 3.46672 0.231597     0.366181  -0.160512    0.361116  0.0413749   50.9994     3.05607     50.9995     
1 1 1 3  16 38 o 23.0318 3.97552 0.701996     0.47044   1.46189      0.49727   9.75106     348.233     14.6169     168.233     
1 1 1 3  16 39 o 25.2415 4.32104 1.0648       0.493397  1.5792       0.629705  20.2573     245.898     11.7239     245.898     
1 1 1 3  16 40 o 28.9028 3.92788 2.3012       0.586304  1.16085      0.544572  19.1964     25.0305     5.18164     205.031     
1 1 1 3  16 41 o 10.0667 3.28776 -0.229238    0.434212  -0.296044    0.363893  1.75217     114.941     9.51768     114.941     
1 1 1 3  16 42 o 35.9563 3.36136 2.48309      0.636017  2.64274      0.581313  27.8882     329.465     0.633482    329.465     
1 1 1 3  16 43 o 60.9157 2.72331 7.56027      0.886769  6.75154      0.824596  53.7095     228.7       11.2106     228.7       
1 1 1 3  16 44 o 17.42   4.24129 0.221928     0.492857  0.915601     0.498779  5.12667     327.633     1.87611     327.633     
1 1 1 3  16 45 o 17.8421 4.11475 0.227775     0.46917   1.02931      0.484228  8.99348     284.143     3.54625     284.143     
1 1 1 3  16 46 o 19.914  3.83721 1.54585      0.503854  0.0614524    0.487558  11.1618     354.121     6.93526     354.121     
1 1 1 3  16 47 o 13.4203 3.97133 0.056908     0.472049  0.321653     0.465136  2.46865     152.955     11.3552     332.955     
1 1 1 3  16 48 o 21.5679 5.0063  1.51016      0.728534  0.815609     0.578247  12.9283     184.718     3.22268     4.71793     
1 1 1 3  16 49 f 16.7591 4.55392 0.918556     0.57716   0.167485     0.611694  13.2259     84.3345     0           0           
1 1 1 3  16 50 o 12.5617 4.01026 0.216677     0.561774  -0.350928    0.57587   0.821302    170.258     11.3228     350.258     
1 1 1 3  16 51 o 18.631  4.66807 0.39042      0.600609  1.30331      0.614632  10.8743     128.473     1.29415     128.473     
1 1 1 3  16 52 o 13.9147 4.03264 -0.353248    0.506536  0.762222     0.533159  2.15276     212.627     9.86061     32.6273     
1 1 1 3  16 53 o 11.9781 3.84899 0.216145     0.562453  -0.253836    0.482164  0.103078    194.581     6.72565     14.5809     
1 1 1 3  16 54 o 12.6573 4.00051 0.420143     0.559875  -0.38369     0.565902  1.3396      171.459     4.18294     351.459     
1 1 1 3  16 55 o 14.1297 4.28161 0.698444     0.598253  -0.0490684   0.565244  3.6766      319.347     5.85796     139.347     
1 1 1 3  16 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  17 0  o 13.1533 3.97545 0.451751     0.276414  0.451751     0.276414  63.3817     270         136.391     270         
1 1 1 3  17 1  f 227.467 2.10513 95.2043      2.48165   94.7508      2.48264   207.404     213.876     0           0           
1 1 1 3  17 2  o 242.622 2.21102 109.622      2.69016   106.536      2.86551   240.72      275.15      50.1602     275.15      
1 1 1 3  17 3  o 122.47  2.25499 27.3566      1.36307   27.743       1.49631   81.4838     274.508     49.5809     94.5076     
1 1 1 3  17 4  o 113.034 2.34747 21.9404      1.36046   25.0785      1.38424   128.411     129.789     72.2606     129.789     
1 1 1 3  17 5  f 106.771 2.2011  19.9044      1.29309   22.0187      1.12368   73.312      225.398     0           0           
1 1 1 3  17 6  o 84.8892 2.43469 13.7003      1.06662   12.823       1.07057   79.262      270.513     26.4443     270.513     
1 1 1 3  17 7  o 78.2788 2.47614 10.7405      0.997618  11.8305      1.00531   52.4397     275.522     21.4463     95.5219     
1 1 1 3  17 8  o 96.9537 2.43523 17.8415      1.2176    16.7449      1.22505   102.259     38.0856     51.4404     38.0856     
1 1 1 3  17 9  o 87.8404 2.46957 14.4527      1.11837   13.9443      1.12565   65.6414     175.246     13.0435     355.246     
1 1 1 3  17 10 f 230.448 2.52108 94.2641      2.9982    100.946      3.02304   167.616     194.494     0           0           
1 1 1 3  17 11 o 69.8008 2.5912  9.39071      0.937909  8.57485      0.92947   22.8733     137.313     68.3737     317.313     
1 1 1 3  17 12 o 185.7   2.35095 62.6021      2.35847   64.0922      2.16058   178.081     173.437     31.1071     173.437     
1 1 1 3  17 13 o 164.875 2.34457 49.4808      1.92153   50.3926      2.08404   160.756     165.36      34.7516     165.36      
1 1 1 3  17 14 o 181.384 2.33171 60.4872      2.09058   60.3886      2.28936   138.971     350.871     39.8763     170.871     
1 1 1 3  17 15 o 159.173 2.23266 43.7968      1.83411   49.3576      1.84591   162.511     240.101     49.4042     240.101     
1 1 1 3  17 16 f 97.6481 2.20085 17.8803      1.14957   17.1868      1.07549   95.7724     324.482     0           0           
1 1 1 3  17 17 o 23.5471 3.47118 1.12218      0.415807  0.998985     0.404252  7.87061     173.032     29.2048     173.032     
1 1 1 3  17 18 o 45.5873 2.59714 3.89605      0.615765  3.79712      0.601319  17.8405     7.95792     28.5952     187.958     
1 1 1 3  17 19 o 80.4244 2.42712 12.9513      0.9813    10.9197      1.02741   55.6085     241.657     21.3473     61.657      
1 1 1 3  17 20 o 116.898 2.20227 25.6551      1.37724   24.615       1.28924   113.012     248.607     29.1072     248.607     
1 1 1 3  17 21 o 80.7469 2.18556 11.4587      0.910547  12.5605      0.91433   77.4129     234.016     27.8794     234.016     
1 1 1 3  17 22 o 183.217 2.16992 62.9481      2.06408   60.5216      2.05711   177.903     111.495     41.3356     111.495     
1 1 1 3  17 23 o 232.062 2.22421 96.9879      2.66952   101.206      2.68086   224.762     84.9054     49.5056     84.9054     
1 1 1 3  17 24 o 131.713 2.16226 32.2485      1.47515   31.6096      1.47725   124.351     72.97       25.4428     72.9701     
1 1 1 3  17 25 o 138.211 2.17246 35.7606      1.55975   34.6029      1.55286   142.121     55.536      49.737      55.536      
1 1 1 3  17 26 o 93.8056 2.21447 16.4271      1.07758   16.0523      1.07292   81.8536     178.439     6.00951     178.439     
1 1 1 3  17 27 o 77.0846 2.35323 10.2848      0.90066   11.7233      0.975895  57.5139     202.134     13.5995     22.1344     
1 1 1 3  17 28 o 47.7391 2.88493 4.67712      0.674294  3.86203      0.727158  25.0834     152.948     26.5011     332.948     
1 1 1 3  17 29 o 42.0801 3.03458 2.95347      0.665514  3.72832      0.624864  22.3207     237.666     21.3212     57.6663     
1 1 1 3  17 30 o 50.9165 2.50798 4.65085      0.652842  5.01833      0.662308  35.5663     171.99      10.2237     351.99      
1 1 1 3  17 31 o 24.2681 3.69063 1.32386      0.447879  0.987148     0.454457  2.6354      126.25      28.519      306.25      
1 1 1 3  17 32 o 46.2996 2.68054 3.33468      0.632626  4.78331      0.622549  41.8328     52.4557     11.4472     52.4557     
1 1 1 3  17 33 o 43.516  2.87767 4.13738      0.645906  3.06851      0.627229  39.8938     87.3058     12.0071     87.3058     
1 1 1 3  17 34 o 39.5068 2.88891 2.91107      0.567247  3.02576      0.598919  33.3515     85.6546     5.21934     85.6546     
1 1 1 3  17 35 f 36.853  3.44126 2.22996      0.592121  3.07034      0.689416  18.4787     165.251     0           0           
1 1 1 3  17 36 o 57.0041 2.73603 6.54799      0.803774  5.76234      0.800946  50.6103     279.215     9.07267     279.215     
1 1 1 3  17 37 o 76.5062 2.61267 11.5351      1.11206   10.5861      0.952985  57.0558     304.61      10.4972     124.61      
1 1 1 3  17 38 o 18.68   4.24003 0.859752     0.497239  0.521981     0.442313  9.66643     36.749      2.72106     216.749     
1 1 1 3  17 39 o 18.2185 4.18844 0.465149     0.463404  0.830693     0.462191  7.77275     290.699     7.65433     110.699     
1 1 1 3  17 40 o 28.471  3.82209 1.41597      0.551001  1.89073      0.531496  21.242      54.1494     0.543515    54.1493     
1 1 1 3  17 41 o 67.2132 2.57297 8.31625      0.889559  8.9578       0.895831  64.8581     351.312     23.2347     351.312     
1 1 1 3  17 42 o 27.2529 3.90574 1.5813       0.539448  1.49793      0.526291  18.2049     12.3195     3.69533     192.32      
1 1 1 3  17 43 o 44.2813 3.15096 3.77975      0.736479  4.0033       0.686393  35.6578     59.4453     2.74252     59.4454     
1 1 1 3  17 44 o 25.5344 4.50887 1.18472      0.619609  1.7148       0.586408  19.3043     222.143     2.25747     222.143     
1 1 1 3  17 45 o 28.792  4.03907 1.6807       0.564804  1.91078      0.598598  21.0765     135.57      0.351892    315.57      
1 1 1 3  17 46 o 16.0315 4.11104 0.864499     0.489518  0.0599517    0.474484  8.29006     99.4864     0.447109    279.486     
1 1 1 3  17 47 o 9.91781 3.31122 -0.193115    0.437336  -0.611796    0.469341  1.09617     135.151     9.58047     135.151     
1 1 1 3  17 48 o 25.8899 4.53652 1.46046      0.58437   1.75118      0.628578  21.0648     24.1764     7.85767     24.1764     
1 1 1 3  17 49 o 13.6327 4.06771 -0.74368     0.557738  0.724151     0.575751  2.87537     263.254     8.25772     83.2537     
1 1 1 3  17 50 o 29.8673 4.88235 1.76473      0.748158  2.85137      0.758255  26.3865     275.054     12.1114     275.054     
1 1 1 3  17 51 o 33.9236 4.1502  3.25181      0.691044  2.21323      0.696343  24.2011     289.927     0.0719949   109.927     
1 1 1 3  17 52 o 11.1118 3.64448 -0.231269    0.49124   -0.0796972   0.511662  3.2749      185.703     16.6904     185.703     
1 1 1 3  17 53 o 16.5954 3.85104 1.4781       0.556519  -0.691828    0.509121  6.09214     314.642     0.114307    314.642     
1 1 1 3  17 54 o 30.2177 4.95466 1.8125       0.778001  3.34366      0.795071  25.4508     236.265     10.6362     236.265     
1 1 1 3  17 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  18 0  o 115.323 2.17296 24.4488      1.29688   24.4488      1.29688   108.498     90          11.3179     90          
1 1 1 3  18 1  f 170.394 2.19238 54.0816      1.93637   52.5526      1.93618   179.229     215.348     0           0           
1 1 1 3  18 2  o 130.95  2.17124 32.5227      1.47276   30.4686      1.47368   93.8721     28.4924     38.7716     208.492     
1 1 1 3  18 3  o 200.842 2.23019 75.6146      2.31954   72.5534      2.32325   213.042     223.597     74.6759     223.597     
1 1 1 3  18 4  o 78.5396 2.25834 12.05        0.907389  10.6655      0.923839  22.5029     286.948     86.4678     106.948     
1 1 1 3  18 5  o 83.1506 2.15052 12.9436      0.964617  12.4833      0.885589  53.0861     286.5       31.0318     106.5       
1 1 1 3  18 6  o 156.897 2.42698 44.0834      1.96711   46.3834      1.97992   126.944     151.323     19.3456     331.323     
1 1 1 3  18 7  o 68.7919 2.57656 9.3391       0.91813   8.1247       0.909932  39.163      307.498     31.317      127.498     
1 1 1 3  18 8  o 173.335 2.43777 54.4974      2.18426   55.9118      2.19626   128.595     170.046     45.9655     350.047     
1 1 1 3  18 9  o 55.7983 2.71726 5.95177      0.773184  5.55376      0.787693  7.78421     116.167     73.056      296.167     
1 1 1 3  18 10 o 296.995 2.66118 162.489      4.09131   161.823      4.10242   277.526     257.181     31.9063     257.181     
1 1 1 3  18 11 f 117.008 2.70781 24.1013      1.63068   26.3238      1.64785   100.697     330.766     0           0           
1 1 1 3  18 12 o 190.395 2.8747  63.274       2.95221   70.1942      2.69713   186.066     218.212     40.5092     218.212     
1 1 1 3  18 13 o 62.2624 2.50768 6.87189      0.840853  7.43143      0.765127  39.1142     49.0116     19.9198     229.012     
1 1 1 3  18 14 o 20.3306 3.787   0.551957     0.417923  1.02174      0.411226  15.9575     213.392     45.2335     213.392     
1 1 1 3  18 15 o 56.0697 2.32233 5.91582      0.697642  5.6809       0.646219  42.4928     324.136     10.1277     324.136     
1 1 1 3  18 16 o 222.474 2.31918 91.0155      2.6791    90.9448      2.66991   221.231     208.959     56.2816     208.959     
1 1 1 3  18 17 o 28.4888 3.22907 1.56023      0.467796  1.5068       0.453732  3.31851     60.338      26.5979     60.338      
1 1 1 3  18 18 o 82.2814 2.40699 12.0144      0.993456  12.9438      1.05564   52.9821     227.183     29.3678     47.1828     
1 1 1 3  18 19 o 105.36  2.30029 20.274       1.25622   20.6052      1.25325   64.4975     12.6071     48.4855     192.607     
1 1 1 3  18 20 f 81.8148 2.19247 12.2946      0.929177  12.3661      0.927078  74.3401     157.462     0           0           
1 1 1 3  18 21 f 99.6938 2.14768 19.0465      1.1121    17.5754      1.10399   42.8354     232.612     0           0           
1 1 1 3  18 22 o 114.724 2.22552 24.6657      1.36783   23.8467      1.27627   105.728     219.766     18.2897     219.766     
1 1 1 3  18 23 o 99.1887 2.1864  18.1003      1.12206   18.1845      1.12348   77.6132     7.24312     11.746      187.243     
1 1 1 3  18 24 o 61.5266 2.34134 7.87284      0.744897  6.18734      0.735605  53.6526     60.5475     7.41635     60.5475     
1 1 1 3  18 25 o 41.4678 2.65329 3.75073      0.562265  2.70713      0.55424   29.2002     133.235     4.59596     313.235     
1 1 1 3  18 26 o 44.2276 2.58164 3.64005      0.58736   3.65236      0.585821  28.851      134.703     11.4061     314.703     
1 1 1 3  18 27 o 72.9687 2.43531 10.9221      0.925773  8.89148      0.905657  53.7477     258.04      12.9896     78.0403     
1 1 1 3  18 28 f 69.9933 2.48091 8.60204      0.884559  9.63171      0.908923  48.9648     237.069     0           0           
1 1 1 3  18 29 o 53.2107 2.80858 5.44868      0.805423  5.16884      0.732442  34.7562     338.544     16.3518     158.543     
1 1 1 3  18 30 o 21.7226 4.37624 0.609932     0.47182   1.275        0.584097  6.46495     158.447     2.87009     338.447     
1 1 1 3  18 31 o 36.6801 3.04552 2.8882       0.555454  2.25593      0.569497  22.6706     347.424     11.7661     167.424     
1 1 1 3  18 32 o 23.0437 3.91513 1.32389      0.510747  0.818349     0.420054  13.104      300.962     2.32262     120.962     
1 1 1 3  18 33 o 16.8747 4.09238 0.269035     0.492036  0.689096     0.413258  4.72423     18.4498     6.99575     198.45      
1 1 1 3  18 34 o 22.1294 3.78747 1.17228      0.435591  0.793356     0.431064  7.90618     51.7675     16.7222     231.768     
1 1 1 3  18 35 o 11.992  3.58136 0.235737     0.430673  -0.163332    0.346989  4.21214     41.7855     22.3777     41.7855     
1 1 1 3  18 36 o 13.6313 3.84762 -0.0615708   0.423383  0.40337      0.430294  6.23313     322.509     30.8117     322.509     
1 1 1 3  18 37 o 10.1752 3.26744 -0.167966    0.371727  -0.201653    0.378183  2.71903     31.9113     13.1716     31.9113     
1 1 1 3  18 38 o 47.9409 2.83438 4.65366      0.674946  4.18693      0.715662  39.9276     98.4961     4.34055     98.4961     
1 1 1 3  18 39 o 56.6038 2.82751 7.1229       0.832613  5.28115      0.804294  45.4195     174.333     1.25487     174.333     
1 1 1 3  18 40 o 43.306  3.12768 4.32864      0.750491  3.07873      0.633277  32.3774     62.1511     2.59638     242.151     
1 1 1 3  18 41 o 39.7738 3.27648 4.03187      0.685292  2.36469      0.614216  31.2359     181.442     1.31268     181.442     
1 1 1 3  18 42 o 14.3033 4.00061 0.0365693    0.447025  0.499342     0.462156  2.73555     264.641     11.9773     84.6406     
1 1 1 3  18 43 o 16.8005 4.3775  0.528872     0.499474  0.579478     0.5053    8.29681     90.0757     1.8148      90.0757     
1 1 1 3  18 44 o 27.5149 4.28117 2.29906      0.617402  1.13556      0.594148  20.7303     164.952     1.43133     164.952     
1 1 1 3  18 45 o 16.9867 4.33375 0.656126     0.47027   0.566689     0.51076   9.04998     267.08      1.88436     267.08      
1 1 1 3  18 46 o 13.419  3.88861 -0.227599    0.468383  0.539857     0.467584  2.17179     73.7327     10.3254     253.733     
1 1 1 3  18 47 o 9.6695  3.23313 -0.108785    0.445474  -0.69565     0.423714  0.697214    180.641     5.49936     180.641     
1 1 1 3  18 48 o 19.1853 4.42573 1.45809      0.574246  0.161747     0.621614  7.94431     91.9439     9.45658     271.944     
1 1 1 3  18 49 o 13.4996 4.07738 0.833066     0.619862  -1.20954     0.590798  3.05985     296.764     3.31177     116.764     
1 1 1 3  18 50 o 18.1332 4.73287 0.38722      0.592074  1.2745       0.648126  7.65331     82.3917     1.0162      82.3917     
1 1 1 3  18 51 o 10.874  3.59182 -0.193918    0.49967   -0.221385    0.501814  0.413293    309.773     4.73743     309.773     
1 1 1 3  18 52 o 14.779  4.37234 0.352743     0.573408  0.532599     0.554881  3.82401     213.91      2.93453     33.9102     
1 1 1 3  18 53 o 15.9424 4.52838 0.418        0.572209  0.834577     0.588772  5.58913     288.059     0.036061    108.059     
1 1 1 3  18 54 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  19 0  o 317.909 2.65982 185.593      4.38175   185.593      4.38175   309.516     270         57.4144     270         
1 1 1 3  19 1  o 223.753 2.46017 90.8027      2.84975   93.2132      2.8568    191.722     331.76      8.21734     151.76      
1 1 1 3  19 2  o 118.103 2.22373 25.305       1.44487   25.9574      1.26793   61.7633     192.891     79.9876     12.8907     
1 1 1 3  19 3  o 43.213  2.47709 3.25221      0.564613  3.66232      0.531182  6.56983     249.338     48.637      69.3376     
1 1 1 3  19 4  o 94.3257 2.15993 16.3082      1.01312   16.4076      1.09489   83.837      106.766     11.0051     106.766     
1 1 1 3  19 5  o 56.6374 2.4239  5.88787      0.706176  5.94474      0.710407  11.507      73.9777     67.8896     253.978     
1 1 1 3  19 6  o 181.925 2.35803 61.0009      2.11708   60.6277      2.32471   172.89      262.462     29.7981     262.462     
1 1 1 3  19 7  o 36.378  3.14043 2.57152      0.573319  2.37539      0.584969  1.43028     312.119     44.3956     132.119     
1 1 1 3  19 8  o 116.354 2.44982 25.1979      1.47161   24.6169      1.47996   142.718     187.999     94.7052     187.999     
1 1 1 3  19 9  o 129.888 2.45184 31.7946      1.64676   30.2845      1.65101   106.023     197.106     10.5669     17.106      
1 1 1 3  19 10 o 143.647 2.56879 39.5662      2.0065    36.4112      1.8166    137.532     3.04846     29.0359     3.04846     
1 1 1 3  19 11 o 139.85  2.86526 34.8802      2.16339   37.2061      1.97406   138.294     29.8662     38.122      29.8662     
1 1 1 3  19 12 o 130.711 2.68031 32.3461      1.81213   30.5967      1.81498   146.635     68.1341     73.7508     68.1341     
1 1 1 3  19 13 o 88.805  2.9029  15.4688      1.41064   13.6701      1.25596   79.2268     318.761     13.8139     318.761     
1 1 1 3  19 14 o 80.5883 2.40415 11.3849      1.07211   12.5625      0.915804  72.675      273.499     17.478      273.499     
1 1 1 3  19 15 o 185.011 2.39082 63.7045      2.19121   62.2499      2.3877    182.175     268.104     47.3029     268.104     
1 1 1 3  19 16 o 192.913 2.27901 68.8143      2.28643   68.1118      2.27151   202.044     298.19      74.1112     298.19      
1 1 1 3  19 17 o 116.79  2.35212 25.177       1.3748    25.0775      1.46842   121.685     310.95      49.1315     310.95      
1 1 1 3  19 18 o 101.056 2.3632  18.9496      1.19218   18.7042      1.2781    90.2266     309.715     12.3673     309.715     
1 1 1 3  19 19 o 135.312 2.13629 33.3304      1.50097   34.0777      1.49564   138.312     218.581     48.0322     218.581     
1 1 1 3  19 20 o 31.2575 2.79476 1.99062      0.449072  1.683        0.434666  12.0873     121.011     5.62517     301.011     
1 1 1 3  19 21 o 42.1494 2.52567 2.79188      0.536706  3.8591       0.545794  35.1139     258.297     20.5803     258.297     
1 1 1 3  19 22 o 13.6591 3.48968 0.437594     0.331488  0.095895     0.32743   9.80012     321.184     28.8246     321.184     
1 1 1 3  19 23 o 95.6664 2.17864 17.2016      1.08084   16.6161      1.07692   92.5441     347.359     25.5765     347.359     
1 1 1 3  19 24 o 41.1146 2.59447 3.00205      0.544467  3.31445      0.548847  31.2859     247.341     1.25615     247.341     
1 1 1 3  19 25 o 59.8917 2.62646 7.17474      0.724742  6.20337      0.874926  48.8229     163.148     1.0906      163.148     
1 1 1 3  19 26 o 32.2066 3.11138 1.88192      0.472721  2.06387      0.538987  18.9441     346.03      8.83254     346.03      
1 1 1 3  19 27 o 43.9589 2.77937 3.45525      0.624469  3.81045      0.627646  40.0728     126.222     13.8705     126.222     
1 1 1 3  19 28 o 20.0044 4.25103 0.665307     0.55324   0.858875     0.418029  2.00332     270.45      20.2454     90.4498     
1 1 1 3  19 29 o 48.8848 3.12596 5.03393      0.822308  4.0633       0.744221  35.3277     42.6278     7.70475     222.628     
1 1 1 3  19 30 o 30.9669 3.50572 1.98403      0.563215  1.75213      0.524501  22.143      293.702     1.59075     113.702     
1 1 1 3  19 31 o 11.7195 3.44615 0.013329     0.345242  0.137494     0.348768  1.65238     204.802     10.1109     204.802     
1 1 1 3  19 32 o 71.1363 2.53892 9.35418      0.935092  9.67309      0.930964  65.4647     349.256     15.2485     349.256     
1 1 1 3  19 33 o 26.8228 3.54964 1.23319      0.460531  1.62146      0.489732  22.7833     222.3       7.91216     222.3       
1 1 1 3  19 34 o 15.2514 3.87082 0.273265     0.38885   0.514325     0.399383  4.48699     131.964     4.96408     311.964     
1 1 1 3  19 35 o 32.8433 3.12568 2.29973      0.526237  1.90845      0.508434  13.1669     158.436     25.0035     338.436     
1 1 1 3  19 36 o 13.2053 3.96447 -0.211141    0.531508  0.244699     0.448818  0.582783    306.387     15.9576     306.387     
1 1 1 3  19 37 o 30.162  3.78622 1.4925       0.522782  2.22515      0.618595  17.9482     191.612     9.74772     11.6118     
1 1 1 3  19 38 o 49.9202 2.98756 5.95698      0.763399  3.83074      0.739677  37.244      109.974     3.82291     289.974     
1 1 1 3  19 39 o 16.1493 4.09928 0.204702     0.427382  0.727145     0.478045  5.49489     28.4624     8.33529     208.462     
1 1 1 3  19 40 o 13.6142 3.88241 0.2824       0.429123  0.183667     0.415983  3.2697      174.726     6.96151     354.726     
1 1 1 3  19 41 o 24.1811 4.17482 1.18498      0.520206  1.34654      0.518351  14.32       42.2003     6.3085      222.2       
1 1 1 3  19 42 o 58.3428 2.73373 7.7169       0.827597  5.72756      0.803989  51.0554     294.725     11.7304     294.725     
1 1 1 3  19 43 o 11.4302 3.61847 0.0213593    0.466181  -0.152478    0.41563   0.843306    273.334     10.2424     93.334      
1 1 1 3  19 44 o 36.1705 3.76605 2.65591      0.682759  2.965        0.685107  26.1724     249.28      1.71884     69.2803     
1 1 1 3  19 45 o 34.4588 3.68695 3.28973      0.641433  1.92139      0.603931  28.5735     196.066     6.95108     196.066     
1 1 1 3  19 46 f 14.9598 4.21155 0.58617      0.507     0.243307     0.486834  7.30113     221.238     0           0           
1 1 1 3  19 47 o 17.7071 4.44229 1.06504      0.540741  0.38431      0.541725  9.46667     276.956     0.241693    276.956     
1 1 1 3  19 48 f 14.1004 4.19125 0.623523     0.561301  -0.0568946   0.516708  15.3967     227.644     0           0           
1 1 1 3  19 49 o 18.9724 4.79042 1.64241      0.693207  -0.0245777   0.739861  8.8602      315.626     3.64605     135.626     
1 1 1 3  19 50 o 16.2888 4.71871 0.626492     0.661912  0.614396     0.608935  4.1512      281.448     9.52695     101.448     
1 1 1 3  19 51 o 12.483  3.91963 -0.162884    0.530554  0.325961     0.510366  1.06837     256.538     7.96828     76.5385     
1 1 1 3  19 52 o 19.6933 4.54916 0.447361     0.600615  1.62511      0.604024  10.201      274.958     3.97728     94.958      
1 1 1 3  19 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  20 0  o 138.442 2.20139 35.2254      1.57797   35.2254      1.57797   105.839     90          30.4435     270         
1 1 1 3  20 1  o 130.26  2.21543 28.8643      1.49262   33.6061      1.49111   98.6706     44.3568     25.1059     224.357     
1 1 1 3  20 2  o 110.463 2.21556 22.1972      1.26897   22.6861      1.26555   118.226     46.5369     53.7725     46.5369     
1 1 1 3  20 3  o 113.913 2.19153 23.7967      1.29548   23.9281      1.29018   104.634     6.25269     17.8707     6.25268     
1 1 1 3  20 4  o 86.4657 2.27648 13.2471      1.00615   14.284       1.03062   63.0315     18.1094     16.4854     198.109     
1 1 1 3  20 5  o 43.7663 2.70244 3.56844      0.629069  3.53481      0.584101  9.64396     154.428     42.8363     334.428     
1 1 1 3  20 6  o 96.9986 2.51172 17.3937      1.24382   17.2655      1.27733   78.873      169.423     3.24097     349.423     
1 1 1 3  20 7  o 32.4518 3.55958 2.05152      0.61018   1.92836      0.54842   0.68442     236.63      27.7406     56.6295     
1 1 1 3  20 8  o 52.8716 2.94478 4.85573      0.829568  5.51916      0.762385  35.2542     229.318     3.79345     229.318     
1 1 1 3  20 9  o 260.804 2.73395 122.697      3.85219   127.859      3.52443   270.235     88.0464     90.5026     88.0464     
1 1 1 3  20 10 o 67.9799 3.48062 7.57146      1.31674   9.65688      1.05388   37.2787     292.579     27.3104     292.579     
1 1 1 3  20 11 o 84.3714 3.13704 13.7202      1.36005   12.6385      1.37187   63.7239     295.956     9.55547     115.956     
1 1 1 3  20 12 o 162.156 2.7249  47.1158      2.30119   49.826       2.27756   146.181     208.829     16.2024     208.829     
1 1 1 3  20 13 o 102.753 2.76184 18.129       1.4594    20.9145      1.47244   68.6487     25.5381     34.9135     205.538     
1 1 1 3  20 14 o 114.14  2.75792 24.084       1.63123   24.0384      1.62746   91.7058     47.4251     8.54375     227.425     
1 1 1 3  20 15 o 19.147  3.53329 0.400389     0.415139  0.961726     0.33569   11.8469     266.978     37.9264     266.978     
1 1 1 3  20 16 o 121.981 2.41313 27.9974      1.45101   26.9126      1.591     118.819     77.8024     32.3194     77.8024     
1 1 1 3  20 17 o 31.7236 2.93101 1.88969      0.463846  1.89599      0.476992  8.94368     288.113     26.3599     108.113     
1 1 1 3  20 18 o 90.0162 2.25503 14.9096      1.0816    15.0146      1.01827   60.8475     72.0239     29.5309     252.024     
1 1 1 3  20 19 o 24.8099 3.19523 1.15052      0.396811  1.20548      0.394649  8.98623     74.5776     54.0978     74.5776     
1 1 1 3  20 20 o 91.9469 2.42973 16.9264      1.043     14.4213      1.23831   68.5332     173.268     16.6444     353.268     
1 1 1 3  20 21 o 61.5262 2.27756 6.84693      0.719557  7.18415      0.727987  31.5555     76.0802     37.9122     256.08      
1 1 1 3  20 22 o 51.5297 2.5207  4.96951      0.697488  4.91788      0.639735  37.8225     334.508     6.16631     154.508     
1 1 1 3  20 23 o 89.5076 2.42312 14.8454      1.21565   14.8982      1.01914   83.2192     37.7673     18.7287     37.7673     
1 1 1 3  20 24 o 34.7491 2.79401 2.15559      0.492313  2.4026       0.495117  17.7762     17.2222     16.7582     197.222     
1 1 1 3  20 25 o 63.4381 2.31566 7.53183      0.761756  7.44762      0.75604   65.5251     0.883369    29.6193     0.883369    
1 1 1 3  20 26 o 118.209 2.35943 26.0995      1.44357   25.9199      1.44498   119.428     34.4295     43.1372     34.4295     
1 1 1 3  20 27 f 73.1926 2.47495 10.3219      0.940759  9.71745      0.931388  66.0954     194.867     0           0           
1 1 1 3  20 28 o 17.1751 4.08629 0.532348     0.432188  0.556498     0.428259  1.42448     215.301     17.9345     35.3009     
1 1 1 3  20 29 o 88.445  2.45037 14.7468      1.12028   14.5704      1.12213   65.6738     286.024     13.7056     106.024     
1 1 1 3  20 30 o 17.8208 3.57593 -0.0444024   0.406029  1.1424       0.429933  8.10178     180.346     1.47738     0.34604     
1 1 1 3  20 31 o 68.9116 2.83707 8.6895       1.12062   9.31373      0.8678    53.1506     350.183     5.39039     170.183     
1 1 1 3  20 32 o 13.5438 3.76128 0.0201031    0.399626  0.384947     0.396688  1.20872     303.086     1.89451     123.086     
1 1 1 3  20 33 o 28.8064 3.47911 1.78244      0.486639  1.50906      0.510973  16.0945     356.351     11.5759     176.351     
1 1 1 3  20 34 o 11.8683 3.58129 0.100905     0.379449  -0.0400482   0.402735  3.48721     168.824     20.2569     168.824     
1 1 1 3  20 35 o 28.2831 3.68637 1.48342      0.519253  1.74773      0.520672  20.5937     213.672     0.352713    33.6718     
1 1 1 3  20 36 o 11.573  3.53475 -0.353462    0.442445  0.186246     0.379643  0.237872    185.346     4.5288      5.34563     
1 1 1 3  20 37 o 65.3631 2.98356 8.64306      1.00506   7.95907      1.00439   60.0351     177.568     17.3067     177.568     
1 1 1 3  20 38 o 87.7536 2.54416 14.7084      1.18216   14.8549      1.12633   79.2905     48.947      20.1183     48.947      
1 1 1 3  20 39 o 13.7121 3.63772 -0.357734    0.408721  0.660277     0.420197  3.85279     264.256     2.08986     84.2556     
1 1 1 3  20 40 o 39.6968 3.13702 2.55782      0.6112    3.82108      0.637003  34.0291     68.5172     7.80346     68.5172     
1 1 1 3  20 41 o 11.8852 3.61967 -0.10264     0.413817  0.188527     0.407651  1.1842      280.142     1.04543     100.142     
1 1 1 3  20 42 o 7.88423 2.72985 -0.76387     0.365995  -0.516239    0.381955  2.23559     270.115     8.79517     270.115     
1 1 1 3  20 43 f 12.4665 3.82388 0.129364     0.463964  0.0510108    0.451376  9.99996     239.683     0           0           
1 1 1 3  20 44 o 34.5042 3.93224 2.78063      0.680243  2.50234      0.677013  27.7222     177.574     5.36513     177.574     
1 1 1 3  20 45 o 16.7476 4.38679 0.54402      0.502554  0.723884     0.512482  7.79809     287.769     0.728028    107.769     
1 1 1 3  20 46 o 14.5495 4.17262 0.317411     0.486661  0.47028      0.497042  4.81984     287.954     2.4133      107.954     
1 1 1 3  20 47 o 21.6586 4.75703 1.06957      0.588377  1.39623      0.600715  7.43206     340.17      4.5251      340.17      
1 1 1 3  20 48 o 19.1162 4.89319 0.890039     0.6355    1.08614      0.618317  9.03255     320.965     1.53434     140.965     
1 1 1 3  20 49 o 8.97027 3.12909 -0.648703    0.455393  -1.03372     0.593654  0.967906    213.317     3.91352     213.317     
1 1 1 3  20 50 o 21.4841 5.15454 1.74296      0.739888  1.03621      0.649316  13.5927     69.2762     5.21668     69.2762     
1 1 1 3  20 51 o 13.1432 4.06844 0.0645879    0.532407  0.368566     0.533413  1.33488     280.947     0.727677    100.947     
1 1 1 3  21 0  o 185.767 2.1027  63.3965      2.0236    63.3965      2.0236    189.658     270         57.8501     270         
1 1 1 3  21 1  o 94.3882 2.15948 16.9747      1.02245   15.8374      1.08384   74.3645     289.844     6.71119     109.844     
1 1 1 3  21 2  o 86.4391 2.17232 13.4841      0.94126   14.0363      1.00229   68.7058     324.797     3.28173     144.797     
1 1 1 3  21 3  o 74.533  2.28907 10.7143      0.886699  9.77712      0.876844  45.119      53.9729     30.3323     233.973     
1 1 1 3  21 4  o 13.3853 3.35987 0.424425     0.306676  0.105139     0.301431  15.0373     94.6112     34.3296     94.6112     
1 1 1 3  21 5  o 278.989 2.60937 139.119      3.76686   147.775      3.77802   296.034     83.2789     113.228     83.2789     
1 1 1 3  21 6  o 65.4441 2.76668 8.95679      0.869999  6.95729      0.970237  32.1682     288.192     40.7814     108.192     
1 1 1 3  21 7  o 122.862 2.71042 27.3543      1.7226    28.374       1.72512   119.177     124.231     32.5796     124.231     
1 1 1 3  21 8  o 17.243  4.30967 0.461889     0.479978  0.507717     0.48158   6.58448     99.2066     18.2038     99.2066     
1 1 1 3  21 9  o 86.4838 3.23284 14.5801      1.62724   13.1912      1.25164   68.6524     255.163     5.17108     75.1632     
1 1 1 3  21 10 o 40.6703 4.50932 2.92038      0.920281  3.40971      0.913823  22.7716     137.291     5.41836     137.291     
1 1 1 3  21 11 o 81.3057 3.01382 13.6209      1.20149   10.9696      1.30419   68.9744     155.113     4.35455     155.113     
1 1 1 3  21 12 o 102.692 2.76723 20.4646      1.4717    18.5909      1.46659   93.6273     164.198     15.5095     164.198     
1 1 1 3  21 13 o 40.9793 3.41311 3.4684       0.712139  2.86771      0.704604  16.7136     220.855     30.3577     40.8548     
1 1 1 3  21 14 o 79.1024 2.85995 12.3162      1.17437   10.9339      1.16071   61.7801     3.33952     7.79774     183.34      
1 1 1 3  21 15 o 33.5317 3.87777 2.4998       0.649036  1.83121      0.643156  9.92512     86.4988     30.3969     266.499     
1 1 1 3  21 16 o 38.3202 2.84414 2.67546      0.520287  2.82812      0.591931  8.20464     202.28      43.7993     22.2795     
1 1 1 3  21 17 o 48.5081 3.17286 3.82904      0.797103  5.04267      0.760403  27.15       160.912     23.0118     340.912     
1 1 1 3  21 18 o 56.9274 2.42496 5.9258       0.748203  6.11284      0.672716  43.1637     266.001     5.0671      86.0007     
1 1 1 3  21 19 o 19.0344 3.45082 0.526978     0.352067  0.878597     0.344014  0.109926    172.798     14.0872     172.798     
1 1 1 3  21 20 o 70.0916 2.25759 8.68137      0.813018  9.55379      0.822103  57.7899     195.434     1.34969     195.434     
1 1 1 3  21 21 o 133.147 2.1484  33.3602      1.48314   32.2684      1.48213   120.454     163.3       19.0447     163.3       
1 1 1 3  21 22 o 36.1301 2.75492 3.24492      0.500938  1.786        0.479768  11.525      183.674     33.3494     3.67385     
1 1 1 3  21 23 o 43.7602 2.51497 3.37593      0.562347  3.81         0.567312  29.4982     94.7428     10.0034     274.743     
1 1 1 3  21 24 o 36.0462 2.75226 2.48227      0.501202  2.43541      0.510797  28.1675     107.014     1.8051      107.014     
1 1 1 3  21 25 o 17.9704 3.78082 0.639289     0.382906  0.618792     0.373472  1.00669     320.176     25.8883     320.176     
1 1 1 3  21 26 o 81.8021 2.45832 12.8013      1.04322   12.2723      1.03658   73.1525     149.668     12.7416     149.668     
1 1 1 3  21 27 o 13.0435 3.63789 0.418316     0.399778  -0.141797    0.372969  0.263273    257.196     8.72888     77.1963     
1 1 1 3  21 28 o 42.8503 3.18889 2.94869      0.656116  4.15004      0.733272  30.0588     230.222     7.99546     50.2221     
1 1 1 3  21 29 o 72.4396 2.47311 9.91313      0.889829  9.8232       0.960097  56.1438     119.438     4.96693     299.439     
1 1 1 3  21 30 o 28.9705 3.71995 1.40784      0.502395  1.95622      0.574374  10.0134     276.448     24.6731     96.448      
1 1 1 3  21 31 o 40.7907 3.34453 3.58642      0.699207  2.92009      0.683306  45.2713     325.449     29.941      325.449     
1 1 1 3  21 32 f 30.0103 3.3534  2.19036      0.508319  1.40685      0.486885  18.9169     63.4507     0           0           
1 1 1 3  21 33 f 43.0546 2.83485 3.45193      0.628708  3.6921       0.62106   31.2127     121.724     0           0           
1 1 1 3  21 34 f 60.5209 2.68474 7.56864      0.844161  6.4884       0.828813  41.5809     326.613     0           0           
1 1 1 3  21 35 o 26.7396 3.80919 1.38048      0.499792  1.55781      0.519839  23.3735     214.402     10.8122     214.402     
1 1 1 3  21 36 o 7.91603 2.71835 -0.638196    0.355705  -0.483444    0.347729  1.91614     45.4268     6.50662     45.4268     
1 1 1 3  21 37 o 56.7085 3.13425 5.94259      0.906396  6.79826      0.918646  54.7144     88.7136     21.653      88.7136     
1 1 1 3  21 38 o 10.2156 3.31756 -0.0791323   0.379426  -0.42017     0.438825  0.0663605   2.92953     0.663158    182.93      
1 1 1 3  21 39 o 13.7089 3.87929 0.445257     0.431953  0.0408172    0.429999  2.53586     356.467     11.6333     176.467     
1 1 1 3  21 40 o 9.78741 3.22969 -0.0787492   0.425042  -0.556917    0.391229  1.48459     118.636     12.0614     118.636     
1 1 1 3  21 41 o 21.0266 4.30862 0.816002     0.521227  1.20847      0.492757  14.9923     245.799     4.12683     245.799     
1 1 1 3  21 42 o 27.1711 4.10779 1.58784      0.562649  1.75518      0.559637  18.1634     213.798     2.07048     33.7981     
1 1 1 3  21 43 o 12.203  3.80074 0.178624     0.482121  -0.0810992   0.457799  1.52677     331.297     5.47732     151.297     
1 1 1 3  21 44 o 27.2831 4.47823 1.68309      0.621519  1.91089      0.62201   19.1759     285.966     0.354138    285.966     
1 1 1 3  21 45 o 17.3074 4.48098 0.578877     0.521918  0.869013     0.537518  8.22231     39.0277     1.27586     219.028     
1 1 1 3  21 46 o 8.85872 3.06304 -0.411569    0.484931  -0.905069    0.436458  1.64281     257.932     6.24951     257.932     
1 1 1 3  21 47 o 16.9633 4.28437 1.381        0.612153  -0.196415    0.521368  5.53024     330.72      0.509736    150.72      
1 1 1 3  21 48 o 14.8241 4.37365 0.512439     0.558877  0.375293     0.562258  3.57785     99.6395     2.43054     279.64      
1 1 1 3  21 49 o 11.5412 3.76899 -0.19755     0.527801  0.024621     0.530814  0.782655    325.78      5.01134     145.78      
1 1 1 3  21 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  22 0  o 54.9533 2.32489 5.60967      0.656778  5.60967      0.656778  27.0858     90          39.862      270         
1 1 1 3  22 1  o 33.4105 2.65879 2.02995      0.451571  2.14465      0.453108  2.85982     4.75619     43.7963     184.756     
1 1 1 3  22 2  o 72.1689 2.16069 9.86404      0.806875  9.3616       0.805667  62.6525     100.239     7.8215      100.239     
1 1 1 3  22 3  o 106.862 2.16063 21.7312      1.15823   20.3877      1.22868   97.5389     205.41      16.1565     205.41      
1 1 1 3  22 4  o 73.8123 2.21659 9.61437      0.81894   10.5127      0.873682  47.8927     203.388     26.3448     23.3878     
1 1 1 3  22 5  o 132.682 2.31759 31.0829      1.52036   33.879       1.66827   128.456     311.618     33.1581     311.618     
1 1 1 3  22 6  o 91.3502 2.67747 15.9529      1.18651   14.9565      1.33319   49.4518     141.036     54.5337     321.036     
1 1 1 3  22 7  o 72.9333 2.86864 9.56425      1.08306   10.1959      1.07627   57.5357     94.7861     5.1318      274.786     
1 1 1 3  22 8  o 68.786  3.16637 8.84558      1.11685   8.79247      1.12878   44.8346     235.386     23.7254     55.3862     
1 1 1 3  22 9  o 20.3369 4.78237 0.126377     0.645465  1.18876      0.644917  0.0859271   101.292     15.5938     281.292     
1 1 1 3  22 10 o 27.9705 4.54267 1.18307      0.562352  1.91886      0.735587  11.9516     330.021     6.50159     150.021     
1 1 1 3  22 11 o 76.4308 2.86104 10.9118      1.1276    10.8148      1.1313    59.8161     16.9992     6.33453     196.999     
1 1 1 3  22 12 o 77.7478 2.87854 12.0525      1.15545   10.473       1.15229   72.9531     102.948     18.6793     102.948     
1 1 1 3  22 13 o 142.932 2.76504 39.1204      2.04607   36.7669      2.0458    122.57      36.3686     5.28388     36.3686     
1 1 1 3  22 14 o 66.8667 2.95693 8.70626      1.02362   7.99801      1.01479   53.174      52.5181     2.2813      232.518     
1 1 1 3  22 15 o 74.7393 2.75339 10.2762      1.00335   10.5377      1.12061   54.0523     147.096     14.5161     327.096     
1 1 1 3  22 16 o 31.1017 4.21678 2.66726      0.61961   1.20447      0.672008  16.9427     301.496     8.11698     121.496     
1 1 1 3  22 17 f 87.4893 2.6131  14.6399      1.15097   13.8708      1.21061   76.9697     57.3144     0           0           
1 1 1 3  22 18 o 83.1015 2.30534 13.5322      0.947377  12.1407      1.0264    76.4433     225.558     16.8157     225.558     
1 1 1 3  22 19 o 33.954  2.56691 2.10707      0.446584  2.23461      0.442446  27.5758     227.322     8.32869     227.322     
1 1 1 3  22 20 o 47.108  2.38193 4.18662      0.578225  4.11055      0.577348  19.9899     252.216     35.7859     72.2162     
1 1 1 3  22 21 o 113.063 2.34138 25.4338      1.47734   22.2555      1.26542   109.643     226.363     33.0817     226.363     
1 1 1 3  22 22 o 51.1276 2.5532  4.82713      0.694516  4.99474      0.648106  36.2021     244.144     9.61992     64.1444     
1 1 1 3  22 23 o 18.7706 3.5308  0.344268     0.367157  1.03588      0.379169  2.39028     110.76      20.5354     290.76      
1 1 1 3  22 24 o 40.4968 2.70917 3.19133      0.542731  3.02466      0.578851  34.3596     185.752     5.54713     185.752     
1 1 1 3  22 25 o 33.1735 3.12616 2.43039      0.501281  1.82876      0.530691  13.788      208.182     24.5455     28.1816     
1 1 1 3  22 26 o 18.7275 3.81712 0.374879     0.383873  1.0121       0.43598   6.36349     293.944     12.7309     113.944     
1 1 1 3  22 27 o 105.407 2.59817 21.9666      1.41374   19.9548      1.41827   93.4563     202.217     16.0279     202.217     
1 1 1 3  22 28 f 19.2876 4.03991 0.842144     0.456089  0.655703     0.410745  21.5203     155.086     0           0           
1 1 1 3  22 29 o 63.9056 2.42927 7.42664      0.800839  8.01586      0.801749  37.0726     243.294     28.1227     63.294      
1 1 1 3  22 30 o 36.7567 3.20916 2.92422      0.607032  2.36762      0.58566   32.5225     199.121     9.32925     199.121     
1 1 1 3  22 31 o 23.6289 4.02924 1.28042      0.456702  1.02174      0.524667  16.7591     349.225     1.65852     349.225     
1 1 1 3  22 32 o 29.072  3.85874 2.41805      0.563278  1.12564      0.545319  25.9404     117.065     11.3537     117.065     
1 1 1 3  22 33 o 25.5362 3.88946 1.136        0.502361  1.56971      0.499187  19.9582     19.964      4.64093     19.964      
1 1 1 3  22 34 o 37.6573 3.14305 2.47673      0.586972  3.15349      0.610615  38.6936     274.427     21.8241     274.427     
1 1 1 3  22 35 o 18.9934 3.79424 1.28292      0.463062  0.162682     0.43632   8.83219     8.11605     8.112       188.116     
1 1 1 3  22 36 o 21.7428 4.25442 1.28501      0.519722  0.787055     0.488362  16.7309     64.3567     6.48713     64.3567     
1 1 1 3  22 37 o 33.4271 3.85013 1.87273      0.652394  2.88371      0.600134  32.0875     193.225     15.5439     193.225     
1 1 1 3  22 38 o 15.4564 4.32552 0.438981     0.520839  0.391675     0.507085  7.13853     26.7013     0.248024    206.701     
1 1 1 3  22 39 f 21.9736 4.41333 1.37468      0.530861  0.851385     0.549595  14.0097     164.452     0           0           
1 1 1 3  22 40 o 32.9072 3.86802 1.47999      0.598389  3.40696      0.623192  28.7235     212.754     10.4414     212.754     
1 1 1 3  22 41 o 37.8385 3.41391 2.90021      0.64855   3.18914      0.659101  33.7136     146.832     12.4981     146.832     
1 1 1 3  22 42 o 13.7886 4.04851 0.428851     0.489176  0.127546     0.473219  3.59233     206.667     5.13621     26.6668     
1 1 1 3  22 43 o 20.9179 4.55472 0.812492     0.568511  1.38008      0.554348  13.7913     150.211     2.37323     150.211     
1 1 1 3  22 44 o 10.951  3.57007 -0.35077     0.475117  0.0145083    0.476376  0.0955015   117.694     4.92456     117.694     
1 1 1 3  22 45 o 29.1504 4.72267 2.28452      0.684636  2.04917      0.71372   23.5794     152.904     9.7349      152.904     
1 1 1 3  22 46 o 46.7362 3.38164 5.72412      0.806517  3.91717      0.780384  41.2859     271.785     15.6572     271.785     
1 1 1 3  22 47 o 11.0431 3.66733 -0.259084    0.545992  -0.181556    0.522808  0.0175676   304.769     5.95914     124.769     
1 1 1 3  22 48 o 14.8925 4.25579 0.8207       0.551135  0.0743702    0.520938  4.08924     257.158     0.447658    77.1583     
1 1 1 3  22 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  23 0  o 67.0783 2.60439 8.36337      0.899279  8.36337      0.899279  74.3623     90          35.2757     90          
1 1 1 3  23 1  o 174.05  2.28346 57.2821      2.22141   54.6734      1.89226   178.144     335.36      63.995      335.36      
1 1 1 3  23 2  o 54.1147 2.26835 5.21203      0.634648  5.6496       0.631241  27.5615     334.583     32.2907     154.583     
1 1 1 3  23 3  o 34.0232 2.89359 2.18896      0.551493  2.16927      0.441329  19.943      338.782     7.92522     158.782     
1 1 1 3  23 4  o 81.9863 2.39422 13.2168      1.0864    11.7126      0.945022  84.2265     242.256     34.824      242.256     
1 1 1 3  23 5  o 25.0493 3.07267 1.26343      0.348876  1.13624      0.414575  4.4607      92.4269     23.1522     272.427     
1 1 1 3  23 6  o 51.2777 3.0929  5.79561      0.796291  4.13293      0.809197  39.3963     323.532     1.73518     143.532     
1 1 1 3  23 7  o 88.9303 2.94034 15.5946      1.26935   13.9078      1.41703   84.3044     192.105     22.5132     192.105     
1 1 1 3  23 8  o 19.1087 4.50169 0.552869     0.53094   0.763267     0.5202    1.91023     155.584     21.1466     155.584     
1 1 1 3  23 9  o 61.4349 3.66986 8.29309      0.997167  6.05656      1.23454   55.012      73.8982     12.2784     73.8982     
1 1 1 3  23 10 o 54.4613 3.09589 5.51796      0.870086  5.62109      0.86301   14.1076     28.7291     60.2636     208.729     
1 1 1 3  23 11 o 64.8334 2.87457 8.54349      0.913572  7.20391      0.993647  49.7291     82.689      5.4333      262.689     
1 1 1 3  23 12 o 22.6174 4.22412 0.956344     0.467505  1.05972      0.537816  6.07766     80.4127     10.7978     260.413     
1 1 1 3  23 13 o 89.2577 2.75588 16.6558      1.20583   13.1888      1.30923   68.1075     337.353     10.686      157.353     
1 1 1 3  23 14 f 15.7161 4.06027 0.187014     0.412572  0.574185     0.466689  18.1899     341.596     0           0           
1 1 1 3  23 15 o 48.02   3.64848 4.97514      0.910967  3.88294      0.869251  31.6494     176.851     12.8821     356.851     
1 1 1 3  23 16 o 30.9839 4.29587 1.50609      0.692252  2.32265      0.629015  10.8545     309.813     25.2561     129.813     
1 1 1 3  23 17 o 25.3881 4.05757 0.712722     0.491289  1.93371      0.588267  9.68849     15.345      16.944      195.345     
1 1 1 3  23 18 o 39.2147 3.39356 2.78636      0.637012  3.12941      0.714461  22.2096     149.767     17.1487     329.767     
1 1 1 3  23 19 o 41.4021 2.97285 3.16055      0.601401  3.36364      0.656922  36.9745     217.295     10.0814     217.295     
1 1 1 3  23 20 o 39.4238 2.72246 2.77604      0.517245  3.12036      0.581755  24.0675     88.8706     13.9662     268.871     
1 1 1 3  23 21 o 27.6451 2.87824 1.52934      0.400204  1.40932      0.399475  9.40069     87.4711     23.6067     267.471     
1 1 1 3  23 22 o 106.932 2.29561 22.1615      1.31894   20.5959      1.22339   104.158     227.963     34.293      227.963     
1 1 1 3  23 23 o 55.4396 2.40231 5.48344      0.68416   6.07526      0.688686  37.1526     165.35      14.6639     345.35      
1 1 1 3  23 24 o 25.1351 3.32944 1.35613      0.422499  1.13608      0.412734  20.927      323.689     10.8733     323.689     
1 1 1 3  23 25 o 27.3114 3.34419 1.51725      0.450482  1.42016      0.461484  12.5972     180.536     16.1208     0.535876    
1 1 1 3  23 26 o 45.5887 2.93421 4.44666      0.649846  3.55788      0.704636  27.3016     79.3714     17.33       259.371     
1 1 1 3  23 27 o 48.6557 2.80108 3.98832      0.690182  5.11348      0.702469  33.1963     206.928     10.2181     26.9284     
1 1 1 3  23 28 o 32.7143 3.27757 2.69382      0.559068  1.58543      0.503099  30.8129     291.931     14.1183     291.931     
1 1 1 3  23 29 o 87.788  2.43278 14.5368      1.14302   14.6945      1.0647    74.2214     282.01      9.09439     282.01      
1 1 1 3  23 30 o 21.6223 4.0944  0.968004     0.461831  0.982691     0.474281  14.5928     159.356     2.27337     159.356     
1 1 1 3  23 31 o 18.7893 4.15062 0.729606     0.450248  0.726034     0.446778  4.72085     279.121     16.5363     99.1205     
1 1 1 3  23 32 o 72.2313 2.81659 10.0277      1.04755   10.2172      1.05342   66.7938     101.865     20.7792     101.865     
1 1 1 3  23 33 o 15.9306 4.13682 0.372623     0.465509  0.555318     0.438647  0.586672    326.328     20.5044     146.328     
1 1 1 3  23 34 o 7.05742 2.46253 -0.641439    0.33214   -0.67454     0.316427  1.96839     351.729     6.2228      351.729     
1 1 1 3  23 35 o 15.7912 4.16533 0.38043      0.463728  0.557996     0.456822  5.45195     354.923     9.1092      174.923     
1 1 1 3  23 36 o 16.3266 4.01965 0.917749     0.47892   0.0948827    0.435948  7.53804     225.786     5.1572      45.7855     
1 1 1 3  23 37 o 34.7472 3.45558 2.21037      0.604647  2.85863      0.592167  33.476      302.012     16.882      302.012     
1 1 1 3  23 38 o 17.3474 4.31077 0.329763     0.531426  0.927725     0.490764  8.69743     281.139     0.592385    101.139     
1 1 1 3  23 39 o 27.9172 4.15536 0.650608     0.631569  3.1437       0.660773  20.3985     272.621     1.83329     272.621     
1 1 1 3  23 40 o 11.2381 3.58135 0.1621       0.46633   -0.365824    0.434649  0.530564    21.6333     2.5913      201.633     
1 1 1 3  23 41 o 19.8527 4.48237 1.22109      0.536749  0.72163      0.533126  12.7298     327.419     3.82912     327.419     
1 1 1 3  23 42 o 12.5389 3.81612 -0.279816    0.480645  0.426426     0.473044  1.46406     81.3916     5.27284     261.392     
1 1 1 3  23 43 o 14.9459 4.06509 -0.275175    0.525867  0.912696     0.512913  2.38366     129.878     1.34744     309.878     
1 1 1 3  23 44 o 16.3444 4.58729 0.869044     0.603707  0.34675      0.583115  5.28588     59.6553     2.97456     239.655     
1 1 1 3  23 45 o 22.3812 4.79695 1.05831      0.614092  1.67914      0.626866  14.9223     82.2042     5.61819     82.2042     
1 1 1 3  23 46 o 14.2235 4.22356 -0.203158    0.583753  0.750851     0.562768  2.02789     59.0122     0.597993    239.012     
1 1 1 3  23 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  24 0  o 81.6102 2.16656 12.3188      0.913591  12.3188      0.913591  69.814      90          3.2403      90          
1 1 1 3  24 1  o 40.619  2.46307 2.89809      0.508359  3.27719      0.517751  27.6352     63.4584     6.70776     243.458     
1 1 1 3  24 2  o 43.973  2.41342 3.71784      0.546956  3.50213      0.544322  42.7167     141.687     22.1077     141.687     
1 1 1 3  24 3  o 28.9136 2.73806 1.64533      0.399987  1.5228       0.39957   17.8141     56.9415     0.325795    56.9416     
1 1 1 3  24 4  o 72.7312 2.16761 9.16019      0.786543  10.4882      0.844281  69.7208     26.8475     21.9577     26.8475     
1 1 1 3  24 5  o 79.8211 2.60093 11.6382      1.00424   12.1263      1.14021   77.4295     299.957     25.2186     299.957     
1 1 1 3  24 6  f 43.4671 3.49398 3.71489      0.696842  3.49142      0.834933  39.9482     190.696     0           0           
1 1 1 3  24 7  o 65.4565 3.12527 8.31861      0.975627  7.8263       1.12102   63.9192     227.851     23.1386     227.851     
1 1 1 3  24 8  o 59.7683 3.90743 6.36891      1.26287   7.33556      1.10431   39.5148     0.427596    17.3963     180.428     
1 1 1 3  24 9  o 36.8948 4.64304 2.53713      0.909792  2.86024      0.79072   23.0461     83.2377     9.91799     263.238     
1 1 1 3  24 10 o 44.8895 3.59866 3.61478      0.863416  4.11829      0.765746  31.722      23.1434     7.03623     203.143     
1 1 1 3  24 11 o 35.5658 3.922   2.72982      0.760296  2.21627      0.640384  32.8111     65.0626     16.8243     65.0626     
1 1 1 3  24 12 o 39.8026 3.62639 2.58362      0.677835  3.5704       0.781488  24.4557     351.013     13.2613     171.013     
1 1 1 3  24 13 o 37.1189 3.6722  2.50152      0.609841  2.84845      0.762953  32.4887     166.717     9.63778     166.717     
1 1 1 3  24 14 o 19.6737 4.25642 0.698672     0.446422  0.820059     0.502946  7.22869     302.228     8.0583      122.228     
1 1 1 3  24 15 o 41.866  3.45517 3.84708      0.726969  2.93791      0.730156  29.5458     73.0339     6.62262     253.034     
1 1 1 3  24 16 o 88.74   2.75874 15.1204      1.31619   14.5476      1.21506   82.6863     199.345     21.2273     199.345     
1 1 1 3  24 17 o 25.5078 4.00608 1.81173      0.52833   0.834363     0.525437  16.6822     347.552     2.91792     167.552     
1 1 1 3  24 18 o 11.5969 3.55874 0.157658     0.411721  -0.36444     0.417052  5.27961     60.4493     23.7206     60.4492     
1 1 1 3  24 19 f 58.7673 2.86729 6.83809      0.862747  6.26755      0.871551  43.376      109.586     0           0           
1 1 1 3  24 20 o 35.6075 3.60257 3.24747      0.627723  1.81099      0.619732  22.2783     343.848     10.7183     163.848     
1 1 1 3  24 21 o 26.3363 3.28922 1.53101      0.402001  1.1997       0.454169  20.8575     210.973     4.56786     210.973     
1 1 1 3  24 22 o 16.8645 3.54179 0.584525     0.339745  0.537299     0.324589  3.46775     309.306     15.2574     129.306     
1 1 1 3  24 23 o 16.9436 3.59364 0.550386     0.345819  0.585116     0.335824  6.82255     47.9759     5.67116     227.976     
1 1 1 3  24 24 o 66.5787 2.3917  8.28907      0.801252  8.4604       0.843943  56.1758     278.227     6.8037      278.227     
1 1 1 3  24 25 o 19.0607 3.82953 1.01105      0.421653  0.456572     0.402503  10.1704     159.444     2.61475     339.444     
1 1 1 3  24 26 o 60.7076 2.48937 7.17264      0.753626  6.8431       0.803708  50.3601     327.344     5.37606     327.344     
1 1 1 3  24 27 o 38.6581 3.04681 2.879        0.597381  2.95362      0.602952  29.8042     229.79      0.712413    229.79      
1 1 1 3  24 28 o 39.2224 3.05782 3.4281       0.676282  2.62168      0.548708  32.3395     7.38123     5.13711     7.38123     
1 1 1 3  24 29 o 21.6819 4.17751 0.807862     0.493257  1.18284      0.484053  9.14856     222.602     12.3899     42.6021     
1 1 1 3  24 30 o 19.5951 4.07347 0.737149     0.44688   0.883242     0.438545  12.7851     12.2628     3.83662     12.2628     
1 1 1 3  24 31 o 33.5982 3.37726 2.46631      0.57452   2.11283      0.566038  28.7089     292.017     7.69269     292.017     
1 1 1 3  24 32 o 22.6955 4.22513 1.12294      0.508207  1.13046      0.499426  10.1666     344.816     12.2439     164.816     
1 1 1 3  24 33 o 73.0002 2.73167 10.6502      1.023     10.3146      1.03642   62.9012     40.2596     13.294      40.2596     
1 1 1 3  24 34 o 62.9461 2.79076 7.8733       0.905336  7.85136      0.906669  48.5239     22.0469     0.659062    22.0467     
1 1 1 3  24 35 o 27.8493 4.13069 1.62082      0.56967   1.82904      0.585135  19.5719     342.742     0.58265     162.742     
1 1 1 3  24 36 o 17.8953 4.04134 0.156021     0.463716  1.19287      0.497029  9.07155     0.136438    2.82742     180.136     
1 1 1 3  24 37 o 25.6494 4.22184 1.11125      0.557015  1.96287      0.566536  16.5196     311.838     2.42205     131.838     
1 1 1 3  24 38 o 21.0962 4.42962 1.28921      0.536391  0.865293     0.517713  14.3003     110.604     3.64565     110.604     
1 1 1 3  24 39 o 15.1909 4.24018 0.793021     0.556787  0.0985612    0.464974  4.45908     84.9241     0.120846    264.924     
1 1 1 3  24 40 o 11.9384 3.80046 0.0696475    0.489419  -0.0848684   0.502352  0.752239    233.171     6.48297     53.1707     
1 1 1 3  24 41 o 22.7695 4.51214 1.0955       0.566027  1.52932      0.558294  13.9563     278.246     0.199587    98.2463     
1 1 1 3  24 42 o 20.0991 4.06922 1.7902       0.568822  0.0948761    0.535899  10.434      219.594     2.42255     39.5945     
1 1 1 3  24 43 o 9.84478 3.3358  -0.21229     0.49872   -0.691955    0.480823  1.14177     9.78562     6.58712     9.78562     
1 1 1 3  24 44 o 21.9367 4.88281 1.82152      0.678269  0.919349     0.608726  12.9636     224.349     1.27983     44.3487     
1 1 1 3  24 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  25 0  o 20.014  4.43427 0.937667     0.403643  0.937667     0.403643  0.47668     269.998     0.0527295   269.998     
1 1 1 3  25 1  o 133.434 2.34606 32.617       1.67879   33.742       1.56023   120.563     189.349     22.2241     189.349     
1 1 1 3  25 2  o 46.684  2.41615 4.64429      0.582913  3.56024      0.571308  38.8384     275.987     4.36651     275.987     
1 1 1 3  25 3  o 28.4237 2.92169 1.56191      0.406979  1.53363      0.428163  12.5263     285.253     17.4109     105.253     
1 1 1 3  25 4  o 58.4524 2.4933  6.7784       0.706367  6.03671      0.78773   47.2161     198.821     0.7298      198.821     
1 1 1 3  25 5  o 36.5481 3.40581 2.90344      0.533824  2.26057      0.680543  26.4369     158.568     2.99066     338.568     
1 1 1 3  25 6  o 135.537 2.77702 32.141       1.76227   36.9815      2.13625   133.448     201.816     45.0954     201.816     
1 1 1 3  25 7  o 17.7352 4.26907 0.665017     0.505832  0.495269     0.434083  8.56032     202.052     42.3961     202.052     
1 1 1 3  25 8  o 43.8102 3.49906 3.88376      0.779264  3.51954      0.780164  43.1919     221.653     19.3086     221.653     
1 1 1 3  25 9  f 84.7675 2.64102 13.8388      1.15491   13.1667      1.15961   83.9913     101.948     0           0           
1 1 1 3  25 10 o 67.4954 2.72326 9.02594      0.94587   8.15389      0.94954   67.6069     212.878     27.0699     212.878     
1 1 1 3  25 11 o 60.6438 2.80655 7.61075      0.878265  6.31571      0.870813  46.2678     336.967     4.86347     156.967     
1 1 1 3  25 12 o 46.5698 3.03359 4.34199      0.727049  3.9281       0.719828  40.8603     309.308     8.43414     309.308     
1 1 1 3  25 13 o 12.0558 3.60882 0.19832      0.395654  -0.197037    0.408738  1.72738     34.2679     15.1875     34.2679     
1 1 1 3  25 14 o 49.0257 3.11512 4.62967      0.753255  4.55833      0.811175  35.6714     307.784     6.47119     127.784     
1 1 1 3  25 15 o 48.008  3.33507 4.93934      0.81433   3.96207      0.814415  35.3423     87.3521     5.23665     267.352     
1 1 1 3  25 16 o 34.5663 3.677   2.41527      0.602502  2.28464      0.669341  16.9991     353.747     19.6835     173.747     
1 1 1 3  25 17 o 47.4387 3.23132 4.75983      0.743876  3.93515      0.808979  38.0504     285.847     1.61856     285.848     
1 1 1 3  25 18 o 72.5835 2.78007 10.2408      1.02741   9.78258      1.05534   47.5642     64.3577     20.9374     244.358     
1 1 1 3  25 19 o 17.9774 4.41183 0.754925     0.482914  0.418262     0.547149  5.30612     90.9876     12.872      270.988     
1 1 1 3  25 20 o 78.945  2.92515 11.6904      1.11528   12.1657      1.26757   66.4584     179.363     7.37941     179.363     
1 1 1 3  25 21 o 41.8773 3.79034 4.46747      0.735177  2.6099       0.79282   32.7324     85.3793     0.986199    85.3794     
1 1 1 3  25 22 o 21.2667 4.36715 1.04571      0.435677  0.785005     0.61656   12.443      7.4818      2.8213      187.482     
1 1 1 3  25 23 o 68.7837 2.74955 8.65606      0.842413  9.48164      1.10109   56.6059     113.012     5.07605     113.012     
1 1 1 3  25 24 o 22.835  3.77759 1.44319      0.475266  0.734829     0.419791  13.7137     1.18097     4.03568     181.181     
1 1 1 3  25 25 o 18.4737 3.88806 0.717132     0.422336  0.681781     0.377762  6.6112      192.209     11.3804     12.209      
1 1 1 3  25 26 o 23.3907 3.9328  0.984551     0.479295  1.30649      0.465223  17.9893     329.337     5.53371     329.337     
1 1 1 3  25 27 o 39.2045 3.22388 3.63947      0.70576   2.52483      0.580181  34.5183     109.694     10.0638     109.694     
1 1 1 3  25 28 o 11.51   3.37106 -0.58967     0.427906  0.348941     0.350335  0.945486    54.2841     2.34277     234.284     
1 1 1 3  25 29 o 30.6047 3.90564 2.70805      0.632656  1.33856      0.551928  23.4244     150.34      2.00698     150.34      
1 1 1 3  25 30 o 45.6344 3.05373 4.44795      0.740808  3.8918       0.686873  40.7894     276.459     12.5593     276.459     
1 1 1 3  25 31 o 15.7618 4.07574 0.734064     0.480286  0.221308     0.415285  4.02888     315.845     12.6407     135.845     
1 1 1 3  25 32 o 33.535  3.55533 2.95198      0.61647   1.82784      0.564073  30.7381     114.527     13.1117     114.527     
1 1 1 3  25 33 o 32.1326 3.72505 1.85537      0.603305  2.59549      0.575721  25.0086     170.168     3.64691     170.168     
1 1 1 3  25 34 o 17.2551 4.50545 0.376599     0.554926  0.8864       0.546911  4.79902     88.9534     12.1965     268.953     
1 1 1 3  25 35 o 20.0794 4.52024 1.12288      0.565401  0.822067     0.49669   12.5244     12.3        2.29554     12.3        
1 1 1 3  25 36 o 13.8161 3.82482 -0.397627    0.490701  0.70211      0.451522  3.69793     331.199     4.83543     151.199     
1 1 1 3  25 37 o 10.8135 3.40856 0.361429     0.457463  -0.884074    0.403799  0.33409     156.81      2.55225     336.81      
1 1 1 3  25 38 o 11.8826 3.76479 0.00466516   0.502408  0.0228742    0.455056  0.726599    116.909     4.37142     296.909     
1 1 1 3  25 39 o 19.2319 4.60684 1.18146      0.584235  0.721854     0.522026  9.53599     301.976     0.0280576   121.978     
1 1 1 3  25 40 o 17.0543 4.53249 0.350868     0.64205   0.948191     0.52814   5.99055     50.8744     1.56        230.874     
1 1 1 3  25 41 o 19.9142 4.88805 1.08992      0.604122  1.08795      0.629418  8.72107     316.192     6.79551     136.192     
1 1 1 3  25 42 o 13.0082 4.01106 -0.121516    0.519475  0.45108      0.529518  1.99231     189.862     3.32553     9.86154     
1 1 1 3  25 43 o 14.051  4.09131 0.921647     0.585011  -0.477486    0.50307   3.89867     198.347     2.14666     18.3465     
1 1 1 3  25 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  26 0  o 9.21829 3.77972 0.199412     0.294888  0.199412     0.294888  0.730337    90.0005     2.92209     90.0005     
1 1 1 3  26 1  f 62.6116 2.26808 7.36271      0.733005  7.30411      0.7343    44.7291     37.2791     0           0           
1 1 1 3  26 2  o 29.2408 3.02229 1.25598      0.4364    2.08944      0.425983  22.3816     207.754     1.45712     207.754     
1 1 1 3  26 3  o 87.0068 2.29849 13.8699      1.01698   14.4416      1.05275   77.8563     28.7262     15.4285     28.7262     
1 1 1 3  26 4  o 53.1801 2.47893 5.03903      0.644323  5.60701      0.71523   57.7369     42.0973     32.2909     42.0973     
1 1 1 3  26 5  o 36.6375 3.21983 2.72732      0.548458  2.44854      0.635546  22.0864     34.3614     12.8911     214.361     
1 1 1 3  26 6  o 60.5113 2.94018 7.22889      0.961872  6.68349      0.871569  40.2783     79.9272     16.2567     259.927     
1 1 1 3  26 7  o 13.1497 3.9732  -0.248188    0.506694  0.214543     0.481764  1.21902     51.3996     7.09461     231.4       
1 1 1 3  26 8  o 66.6083 3.18509 7.80521      0.941675  9.18742      1.24161   55.6529     319.501     4.96473     319.501     
1 1 1 3  26 9  o 32.1052 4.08059 2.27836      0.580415  1.84853      0.709656  18.9445     141.908     11.0795     321.908     
1 1 1 3  26 10 o 26.2665 4.33264 1.26416      0.518737  1.5612       0.640504  22.0143     327.244     11.3374     327.244     
1 1 1 3  26 11 o 12.8935 3.73409 0.315947     0.406788  -0.134395    0.422463  1.3481      205.601     16.7975     205.601     
1 1 1 3  26 12 o 46.4509 3.10088 3.89541      0.725057  4.41234      0.749444  27.6135     79.9769     17.8795     259.977     
1 1 1 3  26 13 o 33.1995 3.76998 1.91102      0.589191  2.49112      0.664263  19.7831     78.2643     11.0857     258.264     
1 1 1 3  26 14 o 25.979  4.30449 1.92776      0.587079  0.886131     0.588005  17.2822     48.5415     2.51171     228.541     
1 1 1 3  26 15 o 26.6561 4.20275 1.42974      0.58313   1.48817      0.548774  20.1232     117.367     2.81534     117.367     
1 1 1 3  26 16 o 19.308  4.19771 1.0666       0.487835  0.393708     0.488089  9.56963     140.961     5.01995     320.961     
1 1 1 3  26 17 o 43.5482 3.20412 3.71668      0.705235  3.66423      0.719916  35.5405     63.2835     4.06446     63.2835     
1 1 1 3  26 18 o 19.8562 4.39097 0.818653     0.49987   0.793723     0.503899  8.55021     41.6511     9.24568     221.651     
1 1 1 3  26 19 o 15.2421 4.15659 0.48922      0.457088  0.173512     0.492346  2.77792     160.574     1.09785     340.574     
1 1 1 3  26 20 o 37.2318 3.53315 2.72472      0.65612   2.79532      0.673261  31.5024     184.747     7.24999     184.747     
1 1 1 3  26 21 o 58.1485 2.99803 7.54457      0.891016  5.63561      0.887224  51.6579     21.8404     13.2268     21.8404     
1 1 1 3  26 22 o 14.8959 4.24511 0.0887263    0.470505  0.467529     0.547978  3.71601     160.942     1.55381     340.942     
1 1 1 3  26 23 o 21.0006 4.6928  1.33454      0.602796  0.498187     0.614608  13.5554     6.73822     0.607514    6.73823     
1 1 1 3  26 24 o 39.2512 3.37796 3.03559      0.619802  3.14373      0.722439  38.1467     246.119     17.9913     246.119     
1 1 1 3  26 25 o 15.1559 3.68887 0.591329     0.343869  0.246093     0.39036   6.28025     41.4652     2.68202     221.465     
1 1 1 3  26 26 o 56.8099 2.61066 6.16072      0.7348    6.38199      0.793995  44.5388     277.044     1.89206     277.044     
1 1 1 3  26 27 o 42.2237 3.19228 3.82236      0.72152   3.37348      0.654745  34.2273     181.303     4.80518     181.303     
1 1 1 3  26 28 o 49.6538 2.89411 4.74239      0.743514  5.07941      0.731583  42.088      266.828     8.93525     266.828     
1 1 1 3  26 29 o 14.429  3.90525 0.249189     0.442997  0.459504     0.388083  5.19485     47.7553     1.31163     227.755     
1 1 1 3  26 30 o 25.6979 3.94291 1.24879      0.515758  1.6619       0.506789  19.8881     182.722     4.66058     182.722     
1 1 1 3  26 31 o 12.855  3.73947 0.258313     0.417456  0.176206     0.384286  2.19525     164.084     3.90568     344.084     
1 1 1 3  26 32 o 30.1369 3.63117 2.30981      0.555689  1.63896      0.531475  19.0037     254.64      5.13259     74.6402     
1 1 1 3  26 33 o 33.791  3.69462 2.31285      0.624382  2.67592      0.62481   30.2283     355.933     12.9817     355.933     
1 1 1 3  26 34 o 12.157  3.74983 0.141934     0.470003  0.0448933    0.419044  1.06099     40.3625     1.81994     220.363     
1 1 1 3  26 35 o 11.2319 3.49498 0.353726     0.446434  -0.585533    0.411746  0.243401    23.425      1.23943     203.425     
1 1 1 3  26 36 o 22.9468 4.17813 2.06147      0.58854   0.55336      0.531509  14.5645     61.2765     0.140254    61.2764     
1 1 1 3  26 37 o 15.8391 4.32782 0.752898     0.520764  0.350064     0.508801  4.34024     326.575     3.04763     146.575     
1 1 1 3  26 38 o 12.9785 3.9832  0.313854     0.52448   0.0480463    0.471677  0.627395    190.867     9.52271     10.8674     
1 1 1 3  26 39 o 14.4825 3.94022 -0.584304    0.520503  0.960723     0.516852  1.35076     267.761     0.563115    87.7614     
1 1 1 3  26 40 o 14.3804 4.20716 -0.0552363   0.530233  0.749383     0.554791  3.83777     242.066     4.05072     62.0658     
1 1 1 3  26 41 o 23.8066 5.21282 1.47003      0.708257  1.84641      0.719966  16.6461     29.2718     3.88374     29.2718     
1 1 1 3  26 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  27 0  o 29.0268 3.19748 1.68303      0.446319  1.68303      0.446319  23.1505     270         0.24065     89.9999     
1 1 1 3  27 1  o 61.9711 2.37989 7.318        0.779144  7.15847      0.744     49.8329     159.39      1.77067     159.39      
1 1 1 3  27 2  o 50.8004 2.45911 4.22391      0.634318  5.58145      0.643755  31.0184     280.939     17.921      100.939     
1 1 1 3  27 3  o 51.5498 2.46237 5.64112      0.656557  4.44457      0.645218  49.9364     4.27336     19.7663     4.27336     
1 1 1 3  27 4  o 65.7975 2.4173  8.566        0.766404  7.77804      0.866432  59.1701     141.763     14.5238     141.763     
1 1 1 3  27 5  o 29.7515 3.79146 1.88743      0.560363  1.66201      0.564875  11.3133     216.432     22.5409     36.4316     
1 1 1 3  27 6  o 12.6285 3.69984 0.0415936    0.4007    0.185116     0.395669  0.936653    160.327     5.11416     340.327     
1 1 1 3  27 7  o 26.5076 4.54096 1.28684      0.602772  1.64792      0.635304  19.7387     40.3459     2.54685     40.346      
1 1 1 3  27 8  o 25.2474 4.39751 1.31673      0.52186   1.32646      0.622978  8.74014     343.991     19.7475     163.991     
1 1 1 3  27 9  o 29.1425 3.91674 1.60414      0.563614  1.83432      0.576258  25.5484     23.0929     10.5546     23.0929     
1 1 1 3  27 10 o 15.2239 3.96476 -0.0202302   0.433988  0.669971     0.456389  4.29687     345.664     4.58815     165.664     
1 1 1 3  27 11 o 12.2256 3.68711 0.091675     0.406098  -0.00673313  0.419553  0.398744    240.801     2.18384     60.8009     
1 1 1 3  27 12 o 19.883  4.22396 1.09084      0.490453  0.502818     0.489339  10.3484     320.917     4.4351      140.917     
1 1 1 3  27 13 o 9.16875 3.06228 -0.26372     0.380081  -0.575496    0.39203   2.57777     28.6829     9.87569     28.6829     
1 1 1 3  27 14 o 25.5111 4.38657 1.69857      0.612479  1.05831      0.54797   19.4912     232.66      4.80532     232.66      
1 1 1 3  27 15 o 14.0858 3.77869 -0.355856    0.431783  0.653757     0.450203  2.55541     31.7031     2.82669     211.703     
1 1 1 3  27 16 o 33.5383 3.76487 2.02009      0.622144  2.53929      0.638546  30.2495     46.4376     11.8613     46.4376     
1 1 1 3  27 17 o 12.6438 3.82098 -0.0748277   0.440062  0.17284      0.455144  1.42217     187.522     6.7372      7.52187     
1 1 1 3  27 18 o 16.4774 4.08681 -0.217019    0.524271  0.933357     0.496922  6.62834     59.8132     5.4683      239.813     
1 1 1 3  27 19 o 26.047  4.44448 1.3484       0.609011  1.56904      0.579956  20.9888     6.22727     6.47183     6.22727     
1 1 1 3  27 20 o 45.1519 3.55629 4.12445      0.847617  4.09911      0.787244  33.3564     153.569     2.10415     333.569     
1 1 1 3  27 21 o 19.1816 4.5842  1.36583      0.654126  0.0403815    0.568418  10.2879     186.412     4.123       6.41229     
1 1 1 3  27 22 o 55.2848 3.46648 5.82791      0.968508  6.53794      0.996286  39.9679     152.904     4.75739     332.904     
1 1 1 3  27 23 f 35.2455 4.23725 2.89256      0.693663  2.44263      0.783787  24.2365     123.212     0           0           
1 1 1 3  27 24 o 22.2159 4.79795 0.721925     0.566388  1.57453      0.677195  8.18932     180.404     15.2411     0.403698    
1 1 1 3  27 25 o 24.0355 4.22001 2.2873       0.610473  0.15268      0.700402  16.2378     208.123     1.07895     28.123      
1 1 1 3  27 26 o 17.2418 4.64141 0.750611     0.468572  0.216068     0.804677  9.02141     302.638     0.653177    122.638     
1 1 1 3  27 27 o 15.3273 3.93326 0.330461     0.426571  0.585117     0.396477  5.90761     5.15373     1.10977     185.154     
1 1 1 3  27 28 f 20.5411 3.68544 0.336781     0.470016  1.49017      0.429825  10.6856     105.72      0           0           
1 1 1 3  27 29 o 50.4107 2.95715 6.03259      0.808424  4.38132      0.71896   44.2696     349.339     13.9798     349.339     
1 1 1 3  27 30 o 20.0488 4.16566 1.17085      0.47959   0.704204     0.464463  9.9991      78.3765     5.87102     258.376     
1 1 1 3  27 31 o 18.1601 4.06841 1.07676      0.466354  0.434124     0.440071  9.76494     302.715     1.11013     122.715     
1 1 1 3  27 32 o 33.476  3.63424 2.53417      0.599661  2.39043      0.6196    30.6337     77.3184     14.9659     77.3184     
1 1 1 3  27 33 o 20.2945 4.41639 1.1921       0.528355  0.848761     0.500604  10.014      169.654     4.76757     169.654     
1 1 1 3  27 34 o 13.6132 3.95201 0.513401     0.475371  0.0683576    0.439064  1.95669     90.463      6.56545     270.463     
1 1 1 3  27 35 o 21.714  4.49772 1.23807      0.549799  1.14067      0.527712  12.7006     198.685     0.808798    198.685     
1 1 1 3  27 36 o 13.0811 3.9387  -0.0549874   0.488498  0.433929     0.480139  1.28652     242.261     3.29328     62.2609     
1 1 1 3  27 37 o 13.1251 4.01786 0.243785     0.518062  0.198299     0.487671  1.20841     106.679     1.77571     286.679     
1 1 1 3  27 38 o 22.5419 4.4466  2.05235      0.625224  0.658954     0.571826  14.8852     225.536     2.26232     225.536     
1 1 1 3  27 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  28 0  o 5.28554 2.60176 -0.225454    0.254767  -0.225454    0.254767  6.22667     90.0002     14.3595     90.0002     
1 1 1 3  28 1  o 53.441  2.49072 5.26527      0.683517  5.60242      0.688316  47.9254     160.281     13.424      160.281     
1 1 1 3  28 2  o 22.8742 3.45398 0.960704     0.401834  1.15109      0.392677  14.1277     108.909     2.90463     288.909     
1 1 1 3  28 3  o 12.0092 3.25653 0.127605     0.287113  0.270849     0.28654   0.685513    291.877     12.33       291.877     
1 1 1 3  28 4  o 17.2272 3.64103 0.883302     0.352321  0.170326     0.443274  3.55879     25.7267     0.773552    25.7267     
1 1 1 3  28 5  o 51.8808 2.97168 4.07427      0.762168  6.46081      0.79206   40.7256     247.577     1.38024     247.577     
1 1 1 3  28 6  o 8.52545 2.90857 -0.312923    0.4227    -0.655232    0.310083  2.30991     205.68      7.86345     205.68      
1 1 1 3  28 7  o 25.958  4.67141 1.15158      0.632674  1.73301      0.642494  18.9067     285.184     2.22152     285.185     
1 1 1 3  28 8  o 40.5981 3.25712 3.13806      0.668564  3.34043      0.677765  37.8029     104.751     14.9271     104.751     
1 1 1 3  28 9  o 17.1481 4.04394 0.87706      0.451551  0.178154     0.463705  7.07347     247.944     5.68468     67.9438     
1 1 1 3  28 10 o 7.49872 2.59008 -0.509789    0.328617  -0.676421    0.336464  2.45021     194.672     7.27033     194.672     
1 1 1 3  28 11 o 24.4706 4.14199 0.676146     0.534874  1.88504      0.561546  13.9955     77.1807     6.64989     257.181     
1 1 1 3  28 12 o 28.9545 4.13301 2.39042      0.588066  1.17919      0.610539  22.2832     316.426     3.10708     316.426     
1 1 1 3  28 13 o 31.1086 4.24894 2.36964      0.651431  1.71896      0.664892  14.6463     73.641      17.1422     253.641     
1 1 1 3  28 14 o 20.0438 4.51632 0.986975     0.544225  0.716206     0.519259  6.90478     359.531     13.8956     179.531     
1 1 1 3  28 15 f 35.8501 3.66654 2.74573      0.657027  2.49738      0.664107  37.6932     67.5829     0           0           
1 1 1 3  28 16 o 50.6814 3.12832 5.293        0.804208  4.87809      0.820658  41.7216     50.7448     6.22585     50.7448     
1 1 1 3  28 17 o 17.9074 3.74045 -0.335612    0.471372  1.34893      0.505497  5.40118     113.786     13.5398     293.786     
1 1 1 3  28 18 o 53.222  3.12023 5.61535      0.848536  5.65687      0.857621  48.1989     129.425     15.6432     129.425     
1 1 1 3  28 19 o 17.2166 4.22156 0.0989396    0.48758   1.00741      0.524396  9.56477     43.1208     1.35692     43.1208     
1 1 1 3  28 20 o 9.62218 3.22146 -0.181422    0.421264  -0.821551    0.464411  0.569086    170.579     7.75442     170.579     
1 1 1 3  28 21 o 26.2069 4.87654 1.53614      0.653876  1.67055      0.688968  19.5428     1.79024     2.55177     1.79024     
1 1 1 3  28 22 o 12.2708 3.82435 0.0165843    0.465494  -0.0017249   0.482327  1.9909      211.405     7.21409     31.4047     
1 1 1 3  28 23 o 49.2722 3.36543 4.85591      0.836201  5.16524      0.861491  38.0362     191.762     2.36559     191.762     
1 1 1 3  28 24 o 19.4727 4.69735 0.728787     0.554792  1.03455      0.589392  8.42862     285.827     8.40829     105.827     
1 1 1 3  28 25 o 24.5199 4.46879 2.18712      0.636881  0.673348     0.632571  14.25       117.151     4.94178     297.151     
1 1 1 3  28 26 o 51.1017 4.30754 4.6748       0.983728  7.27074      1.25499   40.0471     267.661     4.58133     267.661     
1 1 1 3  28 27 o 19.5083 5.25912 0.262043     0.692349  1.60803      0.863787  9.25157     131.54      5.62073     311.54      
1 1 1 3  28 28 o 44.8878 4.31178 4.71877      0.838689  4.51035      1.07091   45.9568     235.606     27.998      235.606     
1 1 1 3  28 29 o 46.3331 3.11407 4.32085      0.72655   4.67083      0.751159  44.3543     356.42      21.8923     356.42      
1 1 1 3  28 30 o 12.4618 3.54695 0.0136006    0.396844  0.390429     0.343547  1.38858     322.138     6.15188     142.138     
1 1 1 3  28 31 o 18.336  4.12004 1.05911      0.473274  0.550037     0.431813  8.12487     257.058     4.14755     77.0582     
1 1 1 3  28 32 o 8.74545 2.9382  -0.323834    0.38892   -0.303814    0.33128   0.61831     303.62      2.11364     303.62      
1 1 1 3  28 33 o 11.6622 3.60539 0.249653     0.436555  -0.117672    0.402393  0.0317387   318.793     6.17122     318.793     
1 1 1 3  28 34 o 10.5948 3.43643 -0.0633155   0.461577  -0.137905    0.391142  0.732269    178.672     6.94481     178.672     
1 1 1 3  28 35 o 13.1049 3.91783 0.0886129    0.496154  0.390231     0.4416    1.9597      213.63      3.01155     33.6303     
1 1 1 3  28 36 o 12.7709 3.87519 -0.203648    0.50058   0.467863     0.476028  2.20673     41.5338     3.53678     221.534     
1 1 1 3  28 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  29 0  o 43.9372 2.75666 3.70938      0.615945  3.70938      0.615945  27.733      270         13.1063     90          
1 1 1 3  29 1  o 16.3491 3.6041  0.312142     0.345895  0.744509     0.359816  4.9623      168.176     10.8268     348.176     
1 1 1 3  29 2  o 42.5311 2.65413 3.40744      0.562078  3.59034      0.596277  29.8737     211.231     4.79057     31.231      
1 1 1 3  29 3  o 21.5665 3.53516 1.18175      0.374094  0.738177     0.41093   14.7845     241.107     1.32839     241.107     
1 1 1 3  29 4  o 42.7473 3.25576 3.79364      0.708482  3.46559      0.709971  33.9868     198.166     3.44322     198.166     
1 1 1 3  29 5  o 19.6779 4.26743 0.538249     0.49336   1.07771      0.494349  11.9208     320.814     0.647187    140.814     
1 1 1 3  29 6  o 8.16604 2.81803 -0.2652      0.423053  -0.714059    0.273829  3.02934     73.8796     10.939      73.8796     
1 1 1 3  29 7  o 19.0692 4.65483 0.372578     0.562072  1.09167      0.605682  10.9562     337.936     1.28909     157.936     
1 1 1 3  29 8  o 13.6937 3.9686  0.225675     0.444949  0.198219     0.454051  0.109932    81.0788     16.6854     261.079     
1 1 1 3  29 9  o 49.4303 3.1569  5.02944      0.802458  4.67055      0.797037  37.5258     199.501     0.0872418   19.501      
1 1 1 3  29 10 o 17.6262 4.1605  1.02432      0.500074  0.145216     0.485651  3.87584     13.5088     16.1901     193.509     
1 1 1 3  29 11 o 35.9833 3.75204 3.17269      0.669194  2.21347      0.667484  23.6052     208.622     6.47306     28.6217     
1 1 1 3  29 12 o 26.35   4.38786 1.97727      0.58488   1.08919      0.623288  15.2335     8.6743      7.43265     188.674     
1 1 1 3  29 13 o 29.0387 4.25517 1.84769      0.630384  1.80982      0.608491  21.6181     139.997     1.51518     139.997     
1 1 1 3  29 14 o 14.4172 4.05322 0.539332     0.477423  0.0087071    0.467902  5.46395     18.8965     2.97431     198.896     
1 1 1 3  29 15 o 20.2655 3.86753 1.65037      0.527372  0.00346251   0.505531  14.715      13.9166     7.43632     13.9166     
1 1 1 3  29 16 o 13.9884 3.9878  0.505907     0.467386  -0.0437035   0.465238  3.15941     70.9067     0.20236     250.907     
1 1 1 3  29 17 o 13.5638 4.02672 0.123817     0.465491  0.262288     0.492774  3.9201      35.2685     4.43145     215.268     
1 1 1 3  29 18 o 12.0608 3.75646 0.0929858    0.452507  -0.0959177   0.465748  1.74552     206.007     4.06356     26.0072     
1 1 1 3  29 19 o 9.64285 3.26279 -0.628666    0.419619  -0.32822     0.493782  3.53901     265.352     15.9533     265.352     
1 1 1 3  29 20 o 17.7007 4.86853 0.394409     0.589032  0.937781     0.70523   7.94444     110.875     4.33869     290.875     
1 1 1 3  29 21 o 12.3924 3.67489 0.520697     0.463184  -0.767437    0.476528  0.615281    249.476     10.2817     69.4755     
1 1 1 3  29 22 o 19.5045 4.62951 1.12251      0.559852  0.663133     0.573674  10.4176     243.282     2.61353     63.2822     
1 1 1 3  29 23 o 12.2942 3.83312 -0.373059    0.480384  0.316549     0.511126  1.49093     194.472     5.15107     14.4718     
1 1 1 3  29 24 o 28.3833 4.66556 2.0176       0.657025  1.86862      0.690866  18.5636     327.492     2.25054     147.492     
1 1 1 3  29 25 o 27.8685 4.97995 2.13439      0.762062  1.79863      0.677901  23.4598     155.121     10.7916     155.121     
1 1 1 3  29 26 o 14.4836 4.51994 -0.444452    0.521447  0.880191     0.810944  3.62177     323.575     2.62591     143.575     
1 1 1 3  29 27 o 14.4173 4.41361 0.487476     0.587024  -0.062067    0.672344  2.82931     351.464     8.01206     171.464     
1 1 1 3  29 28 o 20.6451 5.43268 1.29843      0.756215  1.11445      0.807573  10.1343     144.285     3.69849     324.285     
1 1 1 3  29 29 o 29.3473 4.98744 1.8352       0.795002  2.6706       0.73265   22.7456     356.688     8.11751     356.688     
1 1 1 3  29 30 o 14.1083 4.1562  -0.647404    0.612586  0.778991     0.56579   2.14157     100.121     7.73231     280.121     
1 1 1 3  29 31 o 11.1908 3.58728 0.0753069    0.357623  -0.24631     0.569827  0.0565474   304.629     2.23467     124.629     
1 1 1 3  29 32 o 12.8072 3.59245 -0.139123    0.424042  0.53735      0.372233  1.18896     300.678     9.24234     120.678     
1 1 1 3  29 33 o 12.722  3.77454 0.1727       0.441496  0.307525     0.404738  1.99481     288.925     6.25761     108.925     
1 1 1 3  29 34 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  30 0  o 31.2498 3.17326 1.96831      0.483301  1.96831      0.483301  29.3673     89.9999     10.7148     89.9999     
1 1 1 3  30 1  o 30.4017 3.22284 1.48938      0.475691  2.30699      0.492001  26.1178     49.1046     8.72646     49.1046     
1 1 1 3  30 2  o 25.1531 3.27034 1.32495      0.403984  1.27495      0.417078  21.8479     6.01771     9.95402     6.01771     
1 1 1 3  30 3  o 48.3435 3.15372 5.14844      0.692279  4.2513       0.834115  40.9634     126.086     9.36673     126.087     
1 1 1 3  30 4  o 23.1024 4.34155 1.4463       0.545518  0.938667     0.527376  17.9506     141.534     5.61537     141.534     
1 1 1 3  30 5  f 21.0815 4.47635 0.806127     0.530182  1.18643      0.540037  15.3784     158.355     0           0           
1 1 1 3  30 6  f 25.6124 4.59857 1.89313      0.67566   1.12275      0.561578  17.3332     196.586     0           0           
1 1 1 3  30 7  o 14.4185 3.95198 -0.457754    0.424739  0.847575     0.549144  5.54716     246.38      3.42346     66.3798     
1 1 1 3  30 8  f 14.1219 4.04284 0.331161     0.455618  0.235007     0.465413  7.73733     180.873     0           0           
1 1 1 3  30 9  o 18.7126 4.15908 1.23829      0.511628  0.179093     0.512501  11.5447     259.009     4.20828     259.009     
1 1 1 3  30 10 o 22.7632 4.359   1.6445       0.561543  0.703588     0.556023  14.9201     262.523     0.740337    82.5226     
1 1 1 3  30 11 o 29.0503 4.16708 1.73732      0.59566   1.98118      0.616642  19.0164     97.0283     3.45616     277.028     
1 1 1 3  30 12 o 26.3952 4.55047 1.54044      0.606321  1.65612      0.62767   21.9416     200.345     9.2034      200.345     
1 1 1 3  30 13 o 16.4657 4.35453 0.714708     0.507542  0.358133     0.513173  6.2897      101.687     6.50157     281.687     
1 1 1 3  30 14 o 17.078  4.39781 0.816696     0.507241  0.382046     0.535123  3.77604     329.199     14.2739     149.199     
1 1 1 3  30 15 o 17.7859 4.38993 0.344879     0.516607  1.01364      0.532881  6.18996     3.97857     9.72557     183.979     
1 1 1 3  30 16 o 31.2124 4.24285 1.98112      0.656254  2.41714      0.665653  24.7251     28.7978     6.0459      28.7978     
1 1 1 3  30 17 o 14.7638 4.17194 0.610604     0.505788  0.0754064    0.496569  2.58475     180.952     11.6156     0.951932    
1 1 1 3  30 18 o 19.1576 4.85005 0.795318     0.566075  0.981511     0.65476   9.97647     149.879     2.54533     329.879     
1 1 1 3  30 19 o 14.5055 4.24254 0.703864     0.569236  -0.325254    0.572035  4.20674     340.07      4.57377     160.07      
1 1 1 3  30 20 o 24.5489 4.70341 1.45609      0.614838  1.50416      0.611908  16.3434     340.796     0.250918    340.797     
1 1 1 3  30 21 o 13.6324 4.04245 -0.13593     0.496914  0.526416     0.51327   2.87533     29.6131     2.07715     209.613     
1 1 1 3  30 22 o 14.311  4.09538 0.721553     0.518627  -0.263015    0.53155   3.75199     48.5827     4.29637     228.583     
1 1 1 3  30 23 o 16.0424 4.36513 0.0480765    0.551716  0.935341     0.560008  2.96929     8.59813     0.0129298   188.598     
1 1 1 3  30 24 o 13.9352 4.23431 0.543146     0.606109  -0.0691799   0.512033  1.50715     234.195     1.93686     54.1951     
1 1 1 3  30 25 o 16.7461 4.83849 0.907643     0.685298  0.299356     0.681547  4.0327      88.7593     0.966531    268.759     
1 1 1 3  30 26 o 18.2113 4.77899 1.25961      0.624315  0.179509     0.740111  7.35584     240.661     3.67935     60.661      
1 1 1 3  30 27 o 18.1434 4.73157 1.27679      0.615879  0.1697       0.727635  7.47931     88.5261     4.15622     268.526     
1 1 1 3  30 28 o 14.7531 4.43405 0.675579     0.58432   -0.138605    0.691797  3.56919     212.625     5.12012     32.6253     
1 1 1 3  30 29 o 19.4646 5.33957 0.87093      0.751907  1.38383      0.801984  8.6671      115.518     3.03965     115.518     
1 1 1 3  30 30 o 10.8106 3.65066 -0.448404    0.610461  -0.345033    0.536405  0.194758    40.3072     4.70935     220.307     
1 1 1 3  30 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  31 0  f 9.77899 3.98065 0.257652     0.323462  0.257652     0.323462  2.31114     270         0           0           
1 1 1 3  31 1  o 18.4701 3.65656 0.910531     0.37836   0.577853     0.360365  10.2591     321.52      0.235228    141.52      
1 1 1 3  31 2  f 14.6419 3.62389 0.622663     0.318928  0.0334813    0.464222  11.1324     205.66      0           0           
1 1 1 3  31 3  o 31.0297 4.12083 2.02068      0.622941  2.24956      0.654213  24.5717     87.5131     5.92009     87.5131     
1 1 1 3  31 4  o 22.2165 4.54015 1.33618      0.546567  0.975438     0.573812  12.7904     247.67      3.36745     67.6704     
1 1 1 3  31 5  o 21.8979 4.59907 1.10686      0.559555  1.15582      0.560619  14.3234     236.764     1.99505     236.764     
1 1 1 3  31 6  f 15.5467 4.35138 0.178207     0.574147  0.622709     0.506285  12.5036     79.0314     0           0           
1 1 1 3  31 7  f 16.4002 4.39101 0.841219     0.516346  0.0632007    0.610873  14.0372     113.308     0           0           
1 1 1 3  31 8  o 14.812  4.09818 0.675257     0.488981  -0.00473571  0.486695  4.2302      312.404     2.38861     132.404     
1 1 1 3  31 9  o 14.0327 3.92827 0.690018     0.482127  -0.332454    0.484372  2.69243     165.266     9.02995     345.266     
1 1 1 3  31 10 o 21.9523 4.51032 0.986115     0.5473    1.30439      0.549175  15.1099     11.2149     5.01384     11.2149     
1 1 1 3  31 11 o 19.9316 4.63563 0.71796      0.543755  1.19013      0.58301   9.91083     222.268     5.12501     42.268      
1 1 1 3  31 12 o 38.5329 3.87632 3.01708      0.737887  3.51049      0.764688  32.4993     328.018     10.1056     328.018     
1 1 1 3  31 13 o 12.8943 3.88876 -0.054335    0.464826  0.334988     0.47044   2.23642     145.129     4.24795     325.129     
1 1 1 3  31 14 o 15.2913 3.66184 -0.836229    0.460997  1.1576       0.503892  4.94592     56.7258     6.9957      236.726     
1 1 1 3  31 15 o 22.1814 4.45726 0.713984     0.55253   1.68822      0.587728  15.278      245.243     3.44315     245.243     
1 1 1 3  31 16 o 34.3907 4.07317 2.58003      0.690318  2.79658      0.710462  30.8072     194.939     14.3963     194.939     
1 1 1 3  31 17 o 17.4795 4.54456 1.02201      0.544428  0.283256     0.634694  7.65678     168.417     0.228948    168.417     
1 1 1 3  31 18 o 16.4581 4.659   0.726162     0.599467  0.42921      0.620208  5.50491     189.084     1.13516     9.08416     
1 1 1 3  31 19 o 29.68   4.80597 1.78097      0.762854  2.65812      0.704695  22.4646     154.709     5.79645     154.709     
1 1 1 3  31 20 o 19.6423 4.8204  0.951313     0.577679  1.044        0.621409  6.16736     164.406     11.8496     344.406     
1 1 1 3  31 21 o 18.0589 4.73567 0.792809     0.58423   0.835318     0.594743  6.85395     341.634     1.22972     161.634     
1 1 1 3  31 22 o 33.6399 4.32034 2.64929      0.698289  2.71597      0.752202  26.1902     276.58      7.08558     276.58      
1 1 1 3  31 23 o 11.4913 3.67734 0.256022     0.495213  -0.576466    0.497731  0.0887345   216.026     3.14403     36.0255     
1 1 1 3  31 24 o 22.3316 5.29611 1.36995      0.785306  1.49435      0.677333  13.652      13.1154     1.78848     13.1154     
1 1 1 3  31 25 o 20.8141 5.19941 1.0768       0.635336  1.44967      0.763424  11.6841     195.372     0.260995    15.3722     
1 1 1 3  31 26 o 15.2884 4.42009 0.827185     0.589387  0.0671586    0.582069  4.99927     200.766     2.71299     20.7664     
1 1 1 3  31 27 o 20.3665 5.18444 0.643208     0.631924  1.82199      0.812639  10.1244     220.414     4.55412     40.414      
1 1 1 3  31 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  32 0  o 17.5214 4.59553 0.821832     0.387424  0.821832     0.387424  10.7299     90          1.64005     270         
1 1 1 3  32 1  o 12.1224 3.54891 -0.0246561   0.302113  0.404719     0.431761  1.42448     297.2       3.2374      117.2       
1 1 1 3  32 2  o 25.4275 4.49263 1.3014       0.589817  1.80433      0.601394  13.2956     184.471     8.19468     4.47074     
1 1 1 3  32 3  o 19.1356 4.57043 1.01544      0.529453  0.738897     0.562406  9.02646     43.9404     5.57567     223.94      
1 1 1 3  32 4  o 20.8877 4.60624 0.623778     0.554039  1.52363      0.612153  13.4428     112.117     2.48425     112.117     
1 1 1 3  32 5  o 14.9026 4.18498 0.264368     0.472001  0.563329     0.502402  3.51037     228.193     0.417827    48.1928     
1 1 1 3  32 6  o 13.6659 3.96383 -0.541393    0.571468  0.631344     0.482302  3.19994     191.713     5.01508     11.7133     
1 1 1 3  32 7  o 30.2405 4.75806 2.16053      0.654811  2.31322      0.798382  23.2144     162.076     5.43729     162.076     
1 1 1 3  32 8  o 21.8195 4.648   1.38301      0.57444   0.987318     0.579736  12.902      346.614     1.37669     166.614     
1 1 1 3  32 9  o 18.2618 4.37783 1.24828      0.546709  0.220395     0.568587  7.6033      5.41498     6.39532     185.415     
1 1 1 3  32 10 o 30.7891 4.40639 1.79174      0.67152   2.74468      0.687508  25.3323     271.87      9.7582      271.87      
1 1 1 3  32 11 o 17.7839 4.43664 1.0618       0.52686   0.363398     0.568226  5.46446     350.176     10.2886     170.176     
1 1 1 3  32 12 o 20.6156 4.68898 0.967249     0.5849    1.17606      0.560808  9.17022     308.616     4.0766      308.616     
1 1 1 3  32 13 o 16.1216 4.27906 0.0947111    0.50777   0.955651     0.540964  4.98122     98.4768     3.73514     278.477     
1 1 1 3  32 14 o 17.7703 4.57019 0.806294     0.548864  0.730458     0.541062  6.86728     297.067     2.93549     117.067     
1 1 1 3  32 15 o 11.8269 3.72529 -0.118605    0.464828  0.144003     0.465783  0.00169437  279.214     3.19764     99.2143     
1 1 1 3  32 16 o 23.0287 4.81393 0.858939     0.586878  1.94149      0.696272  14.4926     115.864     4.96542     115.864     
1 1 1 3  32 17 o 12.5029 3.81077 0.575417     0.519452  -0.882259    0.524057  0.585557    182.049     2.99444     2.04949     
1 1 1 3  32 18 o 9.62308 3.23831 -1.0766      0.47568   -0.0392665   0.457301  0.459414    258.589     2.30173     258.589     
1 1 1 3  32 19 o 27.978  4.54251 1.31927      0.648582  2.68416      0.683562  20.3383     142.837     4.65223     142.837     
1 1 1 3  32 20 o 18.0553 4.5885  1.20079      0.58023   0.402634     0.594726  8.30812     91.0426     1.26515     271.043     
1 1 1 3  32 21 o 14.0305 4.19407 0.0251363    0.528554  0.57914      0.550697  2.68586     48.6327     1.98817     228.633     
1 1 1 3  32 22 o 21.1719 4.62204 1.83719      0.637502  0.513122     0.626319  13.0433     107.605     1.47098     107.605     
1 1 1 3  32 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  32 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  33 0  o 41.1259 2.96801 3.38637      0.61636   3.38637      0.61636   33.6707     270         7.1386      270         
1 1 1 3  33 1  o 19.1451 4.4062  0.831983     0.504111  0.964915     0.501208  7.73613     185.409     1.22512     185.409     
1 1 1 3  33 2  o 30.7004 4.24239 1.8314       0.658434  2.61959      0.637812  22.2993     170.003     4.11639     170.003     
1 1 1 3  33 3  o 19.1975 4.64611 1.08101      0.560795  0.765409     0.565489  7.54596     248.659     1.23044     248.659     
1 1 1 3  33 4  o 32.1863 4.41747 2.72373      0.69022   2.22542      0.726293  25.5966     174.243     9.02022     174.243     
1 1 1 3  33 5  o 16.6232 4.39758 0.91647      0.524544  0.250928     0.567918  4.6389      196.176     7.44211     16.1762     
1 1 1 3  33 6  o 14.8605 4.36312 0.341823     0.60629   0.433141     0.506971  2.80949     138.839     6.43427     318.839     
1 1 1 3  33 7  o 22.5569 4.78628 1.77595      0.61277   0.807845     0.721449  13.3706     85.3429     0.811211    85.3429     
1 1 1 3  33 8  o 12.3804 3.84352 0.250353     0.474302  -0.112579    0.492045  0.497661    169.165     3.82186     349.165     
1 1 1 3  33 9  o 9.45538 3.18781 -0.683717    0.419915  -0.160737    0.451288  1.0966      242.154     4.72903     242.154     
1 1 1 3  33 10 o 14.5154 4.21297 0.534948     0.509393  0.206403     0.522109  2.81926     300.701     3.57105     120.701     
1 1 1 3  33 11 o 19.5595 4.67077 1.26739      0.572584  0.677559     0.602356  9.55855     1.00544     2.08975     1.00544     
1 1 1 3  33 12 o 25.3898 4.80447 1.65931      0.648743  1.6851       0.640886  17.3127     24.6633     3.20494     24.6632     
1 1 1 3  33 13 o 13.7506 4.14456 0.232522     0.508104  0.335922     0.531815  2.38053     354.225     6.1973      174.225     
1 1 1 3  33 14 o 16.3021 4.44514 0.826908     0.536538  0.397157     0.555948  2.73853     119.636     0.296028    119.636     
1 1 1 3  33 15 o 17.3733 4.74836 0.55412      0.552318  1.00801      0.665917  6.81541     90.7909     5.18923     270.791     
1 1 1 3  33 16 o 16.3308 4.66904 0.849715     0.620877  0.359958     0.633099  6.08145     48.5906     0.777905    228.591     
1 1 1 3  33 17 o 12.7659 4.05969 -0.0547153   0.584526  0.179322     0.548395  0.883565    223.557     10.7677     43.5574     
1 1 1 3  33 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  33 19 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  34 0  o 9.20492 4.23561 0.0890001    0.487497  0.0890001    0.487497  0.602982    270         3.27019     270         
1 1 1 3  34 1  o 17.4019 4.26699 1.03469      0.494956  0.417373     0.499205  6.67794     347.931     6.14701     167.931     
1 1 1 3  34 2  o 22.5838 4.68654 1.06467      0.581328  1.62671      0.60865   12.2637     133.774     3.68688     313.774     
1 1 1 3  34 3  o 13.2786 3.86863 -0.321645    0.490623  0.628676     0.473114  1.0761      124.393     0.944847    304.393     
1 1 1 3  34 4  o 11.1497 3.57691 0.0836965    0.445548  -0.218281    0.461339  0.305083    139.197     4.66445     319.197     
1 1 1 3  34 5  o 15.5661 4.34562 0.719197     0.512755  0.311957     0.554883  5.13534     192.926     4.79747     12.9257     
1 1 1 3  34 6  o 17.1864 4.203   -0.436106    0.603783  1.41049      0.582674  4.06053     321.043     1.37581     321.043     
1 1 1 3  34 7  o 18.4758 4.98974 1.3061       0.700773  0.470212     0.698971  8.9983      280.687     1.76761     100.687     
1 1 1 3  34 8  o 21.6244 4.57602 0.681626     0.592008  1.76412      0.61032   13.7198     266.696     7.06422     266.696     
1 1 1 3  34 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  34 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  34 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 3  34 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  0  0  o 558.417 4.1354  571.853      11.9674   571.853      11.9674   676.958     1.01533e-07 266.325     1.01533e-07 
1 1 1 4  0  1  o 587.982 3.01768 633.913      9.19637   633.913      9.19637   564.15      270         16.7965     90          
1 1 1 4  0  2  o 828.972 3.85489 1260.28      16.5631   1260.28      16.5631   634.492     6.06183e-07 345.125     180         
1 1 1 4  0  3  o 631.502 3.16258 731.26       10.3514   731.26       10.3514   536.884     270         155.437     90          
1 1 1 4  0  4  o 410.019 2.47761 308.247      5.26497   308.247      5.26497   248.35      1.42497e-06 301.025     180         
1 1 1 4  0  5  o 223.965 2.05523 91.9913      2.3851    91.9913      2.3851    157.718     90          120.048     270         
1 1 1 4  0  6  o 83.3203 1.92162 12.7658      0.827942  12.7658      0.827942  22.9484     0           26.1851     180         
1 1 1 4  0  7  o 205.427 2.03312 77.403       2.16401   77.403       2.16401   220.599     90          42.5391     90          
1 1 1 4  0  8  o 15.2126 3.51593 0.540839     0.24561   0.540839     0.24561   54.1754     180         111.356     180         
1 1 1 4  0  9  o 7.36867 3.14626 0.0948791    0.219793  0.0948791    0.219793  66.5598     270         133.955     270         
1 1 1 4  0  10 o 193.177 2.34931 68.4776      2.35093   68.4776      2.35093   92.8842     360         188.001     180         
1 1 1 4  0  11 o 216.907 2.39963 86.32        2.69655   86.32        2.69655   267.267     270         115.769     270         
1 1 1 4  0  12 o 120.889 2.11235 26.8387      1.32186   26.8387      1.32186   71.8916     180         376.94      180         
1 1 1 4  0  13 o 87.9193 2.14758 14.2198      0.976083  14.2198      0.976083  15.5264     270         119.642     90          
1 1 1 4  0  14 o 684.956 3.88512 860.469      13.7922   860.469      13.7922   680.915     180         44.8788     180         
1 1 1 4  0  15 o 376.693 2.61267 260.184      5.10044   260.184      5.10044   401.214     270         79.5476     270         
1 1 1 4  0  16 o 300.9   2.27801 166.016      3.5522    166.016      3.5522    191.921     360         192.415     180         
1 1 1 4  0  17 o 156.624 2.06175 45.0102      1.67257   45.0102      1.67257   125.101     270         48.2653     90          
1 1 1 4  0  18 o 183.767 2.42008 61.9665      2.3035    61.9665      2.3035    170.753     180         8.6225      360         
1 1 1 4  0  19 f 312.12  2.93581 178.686      4.74796   178.686      4.74796   357.072     90          0           0           
1 1 1 4  0  20 o 223.5   2.51088 91.6378      2.90728   91.6378      2.90728   82.2334     180         259.524     9.27171e-06 
1 1 1 4  0  21 o 364.173 2.46531 243.184      4.65287   243.184      4.65287   356.929     90          24.8636     90          
1 1 1 4  0  22 o 38.086  2.81064 2.74516      0.539781  2.74516      0.539781  28.0396     180         70.6095     180         
1 1 1 4  0  23 o 297.297 2.32216 162.094      3.57761   162.094      3.57761   346.641     90          134.06      90          
1 1 1 4  0  24 o 188.361 2.15796 65.0965      2.10576   65.0965      2.10576   260.212     180         200.319     180         
1 1 1 4  0  25 o 232.425 2.21611 99.1006      2.66887   99.1006      2.66887   270.847     270         107.274     270         
1 1 1 4  0  26 o 12.9466 4.91729 0.43843      0.454612  0.43843      0.454612  31.5395     180         64.8075     180         
1 1 1 4  0  27 o 90.2624 2.55534 15.0151      1.19124   15.0151      1.19124   55.4242     270         51.5839     90          
1 1 1 4  0  28 o 82.804  2.60317 12.6522      1.1123    12.6522      1.1123    46.4273     180         28.7389     180         
1 1 1 4  0  29 o 180.297 2.18587 59.6731      2.04153   59.6731      2.04153   177.489     270         22.7246     270         
1 1 1 4  0  30 o 163.597 2.18022 49.144       1.84738   49.144       1.84738   124.552     1.14626e-06 51.2058     180         
1 1 1 4  0  31 f 73.0532 2.29632 9.84853      0.865643  9.84853      0.865643  50.1599     90          0           0           
1 1 1 4  0  32 f 211.546 2.2402  82.1576      2.4553    82.1576      2.4553    162.447     180         0           0           
1 1 1 4  0  33 o 226.421 2.26775 94.1191      2.6604    94.1191      2.6604    209.254     90          8.00708     90          
1 1 1 4  0  34 o 97.4097 2.26819 17.4669      1.14246   17.4669      1.14246   127.135     0           106.067     0           
1 1 1 4  0  35 o 47.6445 2.77253 4.25199      0.673695  4.25199      0.673695  34.6423     90          4.49928     270         
1 1 1 4  0  36 o 184.542 2.26151 62.5617      2.16187   62.5617      2.16187   169.782     180         9.5166      180         
1 1 1 4  0  37 o 255.968 2.35802 120.358      3.1275    120.358      3.1275    290.614     90          125.631     90          
1 1 1 4  0  38 o 10.9927 4.62737 0.240949     0.462365  0.240949     0.462365  21.3342     360         46.3362     360         
1 1 1 4  0  39 o 28.7413 4.11142 1.69669      0.542517  1.69669      0.542517  3.18879     90          28.2861     270         
1 1 1 4  0  40 o 70.2604 2.63358 9.16081      0.952959  9.16081      0.952959  80.0301     180         36.9384     180         
1 1 1 4  0  41 o 80.3746 2.80785 11.9945      1.16329   11.9945      1.16329   114.318     90          88.6938     90          
1 1 1 4  0  42 f 107.162 2.71975 21.266       1.50636   21.266       1.50636   42.6939     180         0           0           
1 1 1 4  0  43 o 12.2822 4.86159 0.386517     0.464439  0.386517     0.464439  5.8716      90          17.4633     90          
1 1 1 4  0  44 o 86.5665 2.4398  13.9044      1.09084   13.9044      1.09084   78.6473     360         8.85556     360         
1 1 1 4  0  45 o 55.6019 2.70792 5.80903      0.771825  5.80903      0.771825  53.5147     270         12.2432     270         
1 1 1 4  0  46 o 47.122  2.95611 4.22683      0.70839   4.22683      0.70839   45.9138     3.02617e-06 11.9775     3.02617e-06 
1 1 1 4  0  47 o 79.313  2.89411 11.8061      1.18257   11.8061      1.18257   87.0956     90          40.6106     90          
1 1 1 4  0  48 o 73.1789 2.96149 10.0956      1.11489   10.0956      1.11489   74.1278     180         25.7739     180         
1 1 1 4  0  49 o 35.7308 3.58846 2.54478      0.625965  2.54478      0.625965  35.1072     90          10.8051     90          
1 1 1 4  0  50 o 9.31683 4.26635 0.0203594    0.486395  0.0203594    0.486395  1.91577     8.65139e-06 8.73328     8.65139e-06 
1 1 1 4  0  51 f 8.95278 4.16053 -0.0389611   0.487692  -0.0389611   0.487692  2.67334     89.9999     0           0           
1 1 1 4  0  52 f 28.9126 4.59346 1.83128      0.600875  1.83128      0.600875  17.2071     360         0           0           
1 1 1 4  0  53 o 45.6921 3.24594 4.09746      0.749622  4.09746      0.749622  46.6188     90          19.2601     90          
1 1 1 4  0  54 o 7.66381 3.72363 -0.270377    0.481132  -0.270377    0.481132  0.246535    180         1.02074     180         
1 1 1 4  0  55 o 61.1622 2.93133 7.26745      0.91939   7.26745      0.91939   57.2356     90          16.8442     90          
1 1 1 4  0  56 o 14.2596 5.67904 0.664286     0.638677  0.664286     0.638677  2.75743     0           15.442      180         
1 1 1 4  0  57 o 10.4578 4.85529 0.0899644    0.661772  0.0899644    0.661772  0.130967    90          3.29216     270         
1 1 1 4  0  58 o 6.95824 3.52083 -0.743506    0.58489   -0.743506    0.58489   2.37871     360         7.23806     360         
1 1 1 4  0  59 o 18.3279 6.41625 1.21561      0.733332  1.21561      0.733332  12.11       270         2.29303     270         
1 1 1 4  0  60 o 8.79381 4.19808 -0.0771652   0.557214  -0.0771652   0.557214  2.61647     8.66916e-06 9.64417     8.66917e-06 
1 1 1 4  0  61 o 5.67783 2.93446 -1.13029     0.531861  -1.13029     0.531861  2.59572     90          6.2949      90          
1 1 1 4  0  62 o 34.8548 5.61566 3.08886      0.884178  3.08886      0.884178  36.9097     180         21.2168     180         
1 1 1 4  0  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  1  0  o 338.557 2.2915  210.163      4.02062   210.163      4.02062   306.054     180         47.1065     5.05766e-06 
1 1 1 4  1  1  o 441.422 2.56559 360.565      5.87351   354.014      5.86711   505.569     33.9937     164.078     33.9937     
1 1 1 4  1  2  o 380.304 2.39731 261.803      4.72298   268.58       4.72832   308.567     356.294     113.156     176.294     
1 1 1 4  1  3  o 375.464 2.57769 255.89       5.35556   261.117      4.64533   313.349     13.6228     93.5787     193.623     
1 1 1 4  1  4  o 350.309 2.49842 231.669      4.86455   218.467      4.20126   264.817     126.081     141.378     306.081     
1 1 1 4  1  5  o 397.035 2.53075 291.368      5.3843    286.777      5.02914   428.471     32.6506     97.8451     32.6506     
1 1 1 4  1  6  o 279.898 2.24218 145.716      3.14444   141.6        3.35488   295.526     102.288     65.739      102.288     
1 1 1 4  1  7  o 398.149 2.6567  291.821      5.07626   289.694      5.8588    317.566     343.045     128.278     163.045     
1 1 1 4  1  8  o 80.3035 2.11226 12.272       0.81198   11.4189      0.933785  9.76396     122.183     136.919     122.183     
1 1 1 4  1  9  o 60.9921 2.04845 6.42659      0.623177  7.26005      0.668547  10.1835     323.203     60.728      323.203     
1 1 1 4  1  10 o 121.272 1.95831 25.8378      1.22692   28.1202      1.23378   25.5713     313.441     160.114     133.441     
1 1 1 4  1  11 o 195.523 2.04702 70.1582      2.07447   70.0381      2.07486   126.997     324.24      105.784     144.24      
1 1 1 4  1  12 o 435.021 2.58547 349.977      5.83395   344.171      5.82614   437.008     89.736      45.3603     89.736      
1 1 1 4  1  13 o 110.787 1.98881 22.9441      1.14312   22.0777      1.13987   72.7531     348.31      7.91284     168.31      
1 1 1 4  1  14 o 338.555 2.34053 212.748      4.11161   207.555      4.10296   314.265     170.185     9.75255     350.185     
1 1 1 4  1  15 o 456.151 2.65783 386.616      6.29109   376.425      6.27712   525.917     317.716     188.598     317.716     
1 1 1 4  1  16 o 410.987 2.62985 310.81       5.41376   308.571      5.78393   398.72      150.68      21.1371     150.68      
1 1 1 4  1  17 o 257.859 2.37366 123.12       2.93935   120.687      3.38568   134.506     239.735     212.092     59.735      
1 1 1 4  1  18 o 663.992 3.83372 822.375      13.2087   795.323      13.1794   634.917     1.05249     10.5388     1.05248     
1 1 1 4  1  19 o 498.606 3.54732 453.718      9.16025   458.34       9.17626   460.913     144.107     18.0314     324.107     
1 1 1 4  1  20 o 252.18  2.68602 114.58       3.65967   118.666      3.34952   241.914     294.818     23.7477     294.818     
1 1 1 4  1  21 o 225.488 2.54243 95.9962      3.22703   90.5138      2.7069    239.569     20.4236     76.9271     20.4236     
1 1 1 4  1  22 o 115.635 2.20196 24.0059      1.36025   25.071       1.27325   82.758      166.108     22.1138     166.108     
1 1 1 4  1  23 o 56.1205 2.39968 5.22132      0.688656  6.4035       0.695974  3.72869     87.9905     19.603      87.9905     
1 1 1 4  1  24 o 24.9403 3.60273 1.48278      0.45261   0.907603     0.448159  13.5458     182.319     29.5828     182.319     
1 1 1 4  1  25 o 98.0686 2.31163 18.0431      1.17251   17.2848      1.17398   54.9246     296.74      12.7531     116.74      
1 1 1 4  1  26 o 21.4615 4.35644 1.02945      0.491185  0.681122     0.546062  58.7243     280.654     127.047     280.654     
1 1 1 4  1  27 o 71.2353 2.64274 8.31323      0.960774  10.4305      0.975987  30.7514     199.811     16.6937     19.8114     
1 1 1 4  1  28 o 217.373 2.37494 86.5918      2.67062   86.8822      2.68142   182.814     16.5761     29.2975     196.576     
1 1 1 4  1  29 o 21.2881 3.94827 0.624602     0.425583  1.11405      0.470892  14.769      320.166     37.8575     320.166     
1 1 1 4  1  30 f 113.36  2.18225 23.5618      1.27799   23.6567      1.28427   98.6671     311.076     0           0           
1 1 1 4  1  31 o 36.5588 2.85022 2.6895       0.528383  2.2924       0.53052   20.3221     288.25      90.8005     288.25      
1 1 1 4  1  32 o 58.6754 2.44098 5.90025      0.729986  6.81052      0.746405  12.601      10.8285     68.8093     190.829     
1 1 1 4  1  33 o 244.786 2.29816 110.141      2.91443   110.005      2.91769   281.585     167.251     125.005     167.251     
1 1 1 4  1  34 o 134.212 2.23284 34.6104      1.56261   31.6009      1.54259   129.719     198.629     24.4717     198.629     
1 1 1 4  1  35 o 93.0087 2.30817 16.1598      1.10889   15.6753      1.11302   63.6753     76.0438     32.9308     256.044     
1 1 1 4  1  36 o 186.395 2.2621  62.5934      2.17999   65.1461      2.19082   170.617     308.925     12.1011     308.925     
1 1 1 4  1  37 o 49.6376 2.71914 4.38704      0.688027  4.74562      0.699901  30.0395     289.125     7.29929     109.125     
1 1 1 4  1  38 o 51.0926 2.70552 5.00423      0.717052  4.676        0.705316  35.2536     73.0553     8.32302     73.0553     
1 1 1 4  1  39 o 24.9476 4.00474 1.51222      0.520199  0.91273      0.500932  1.24736     327.279     19.8534     327.279     
1 1 1 4  1  40 o 39.2694 3.28556 2.76072      0.66178   3.04628      0.64733   29.8721     260.255     12.2648     260.255     
1 1 1 4  1  41 o 18.8396 4.74666 0.691587     0.589598  0.476176     0.584205  1.16814     24.1754     16.4189     24.1753     
1 1 1 4  1  42 f 117.084 2.69465 23.6041      1.61354   27.4241      1.64829   84.143      128.363     0           0           
1 1 1 4  1  43 o 59.5023 2.78676 6.76794      0.857163  6.48319      0.85201   43.2643     205.19      12.0559     25.1901     
1 1 1 4  1  44 o 61.3301 2.60121 6.86069      0.819512  7.22004      0.826524  64.2746     220.568     28.4547     220.568     
1 1 1 4  1  45 o 36.3463 3.22765 2.71738      0.597351  2.35766      0.589697  22.7964     173.555     12.2405     353.555     
1 1 1 4  1  46 o 62.6496 2.81533 7.23302      0.909658  7.62568      0.908869  63.2336     116.72      23.1915     116.72      
1 1 1 4  1  47 o 51.4322 3.62823 4.5932       0.953832  5.71145      0.941864  41.1        211.138     2.2389      31.1377     
1 1 1 4  1  48 o 24.7288 4.70146 1.35248      0.636091  1.19416      0.595692  12.3324     156.89      12.7928     336.89      
1 1 1 4  1  49 f 13.6794 3.91224 -0.508159    0.47137   0.548236     0.500219  5.99128     40.5664     0           0           
1 1 1 4  1  50 o 43.1889 3.13639 3.88521      0.697828  3.40098      0.684512  29.1476     46.1646     11.0272     226.165     
1 1 1 4  1  51 o 15.1962 4.12276 -0.0578333   0.489076  0.643178     0.489112  4.86526     303.71      5.65966     123.71      
1 1 1 4  1  52 o 56.9894 2.98165 6.47788      0.850987  6.23062      0.89595   41.4378     81.3615     8.59089     261.361     
1 1 1 4  1  53 o 23.6455 4.59688 1.21132      0.583755  1.27913      0.578425  15.2465     314.367     3.868       134.367     
1 1 1 4  1  54 o 26.8353 4.32141 2.02496      0.610276  1.20442      0.57945   25.7733     45.0121     14.6411     45.0121     
1 1 1 4  1  55 o 11.615  3.73725 -0.476595    0.513732  0.080722     0.500644  2.06221     197.099     2.46776     17.0991     
1 1 1 4  1  56 o 19.6047 4.79126 0.952312     0.591373  0.903996     0.59308   12.3066     324.798     0.392852    144.798     
1 1 1 4  1  57 o 17.8499 4.7906  1.09493      0.650689  0.368614     0.620459  4.34451     12.4791     15.46       192.479     
1 1 1 4  1  58 o 11.7064 3.89823 -0.426791    0.579867  -0.152319    0.637748  1.3591      186.492     4.46772     6.49181     
1 1 1 4  1  59 o 15.566  4.45654 -0.136976    0.610035  0.980948     0.618952  2.78307     21.9081     0.233323    21.9081     
1 1 1 4  1  60 o 17.5548 4.63356 0.0872669    0.656203  1.33364      0.633587  6.66216     91.6361     0.235712    91.6361     
1 1 1 4  1  61 o 17.9351 4.86152 0.936981     0.635933  0.868537     0.630231  8.42063     42.5388     1.43654     222.539     
1 1 1 4  1  62 o 22.5032 5.18074 0.745458     0.774368  2.45523      0.805084  12.9114     225.917     3.9094      45.9168     
1 1 1 4  1  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  2  0  o 312.684 2.56434 179.303      4.15509   179.303      4.15509   203.122     8.74086e-06 202.121     180         
1 1 1 4  2  1  o 226.199 2.20722 94.559       2.39772   93.0594      2.76239   161.411     123.296     100.987     303.296     
1 1 1 4  2  2  o 355.036 2.53048 238.112      4.30802   224.26       4.96038   274.108     144.353     131.993     324.353     
1 1 1 4  2  3  o 338.238 2.479   214.772      4.02786   204.845      4.62809   317.946     76.0585     8.89968     256.059     
1 1 1 4  2  4  o 475.026 2.7657  415.112      6.5814    412.563      7.02995   472.194     149.587     30.6263     149.587     
1 1 1 4  2  5  o 142.692 1.93903 38.8827      1.43682   35.8076      1.43005   72.6382     312.58      107.676     132.58      
1 1 1 4  2  6  o 98.8442 1.91909 19.1147      0.984089  16.7763      0.977837  40.9582     50.4974     252.919     50.4974     
1 1 1 4  2  7  o 226.519 2.06485 93.7476      2.42439   94.4289      2.42461   206.236     336.879     7.01376     156.879     
1 1 1 4  2  8  o 318.891 2.26287 189.567      3.74395   183.454      3.73647   283.052     206.581     38.8218     26.5808     
1 1 1 4  2  9  o 280.546 2.18669 145.497      3.17968   143.186      3.1801    263.713     218.739     0.264215    218.74      
1 1 1 4  2  10 o 271.755 2.1749  135.945      3.06382   134.916      3.06357   301.433     309.498     98.0577     309.498     
1 1 1 4  2  11 o 277.788 2.19107 142.557      3.1567    140.449      3.15322   253.293     359.401     14.2062     179.401     
1 1 1 4  2  12 o 280.064 2.20102 145.583      3.19807   142.059      3.19223   239.507     197.542     46.4314     17.5421     
1 1 1 4  2  13 o 279.186 2.20357 144.198      3.19088   141.615      3.18692   205.479     349.688     113.475     169.688     
1 1 1 4  2  14 o 383.05  2.45394 269.849      4.87671   268.182      4.86826   341.583     143.857     42.0596     323.857     
1 1 1 4  2  15 o 279.584 2.29681 146.505      3.44565   140.135      3.21151   224.775     21.2466     72.8828     201.247     
1 1 1 4  2  16 o 314.419 2.30177 179.317      3.7479    183.165      3.75479   286.945     35.4789     14.3407     215.479     
1 1 1 4  2  17 o 478.434 2.73441 418.509      6.78061   420.889      6.78209   452.831     20.7025     1.11086     20.7038     
1 1 1 4  2  18 o 71.0814 2.7131  8.39086      0.986897  10.2379      0.998418  8.24698     47.4691     99.7335     47.4691     
1 1 1 4  2  19 o 197.336 2.56371 71.0909      2.49805   71.7118      2.74215   97.8521     353.457     163.991     173.457     
1 1 1 4  2  20 o 241.452 2.1948  106.95       2.74515   106.82       2.74883   150.646     318.321     142.846     138.321     
1 1 1 4  2  21 o 539.223 3.14117 538.375      8.78941   528.339      8.77002   576.846     44.1884     143.388     44.1884     
1 1 1 4  2  22 o 286.012 2.45052 151.339      3.63247   148.694      3.63344   259.561     175.358     5.78068     355.358     
1 1 1 4  2  23 o 315.415 2.44194 185.379      3.85798   179.578      4.11793   259.631     73.1867     62.157      253.187     
1 1 1 4  2  24 f 189.604 2.33416 67.5472      2.12661   64.3508      2.442     131.926     118.648     0           0           
1 1 1 4  2  25 o 61.3889 2.58022 6.76041      0.787164  7.1207       0.84759   62.3982     191.609     214.604     191.609     
1 1 1 4  2  26 o 94.2423 2.95721 16.0559      1.5149    16.627       1.35971   34.8782     23.8213     15.2737     23.8213     
1 1 1 4  2  27 o 45.36   3.15343 4.77344      0.773105  2.96842      0.676493  2.63206     193.577     22.1781     193.577     
1 1 1 4  2  28 o 147.757 2.4273  38.4124      1.91759   41.8096      1.78867   111.642     224.545     40.5942     44.5454     
1 1 1 4  2  29 o 70.7873 2.58604 8.56485      0.969977  9.9156       0.912055  56.3413     35.2012     4.96262     35.2012     
1 1 1 4  2  30 o 229.858 2.25299 96.0086      2.68074   98.019       2.68796   203.325     302.216     10.1101     122.216     
1 1 1 4  2  31 o 114.264 2.19684 23.4005      1.29569   24.5912      1.30385   122.799     308.161     51.1972     308.161     
1 1 1 4  2  32 o 199.448 2.23245 72.4816      2.30369   73.637       2.31233   146.363     201.665     65.5391     21.6649     
1 1 1 4  2  33 o 77.5456 2.42569 11.0806      0.934658  11.0614      1.00905   77.4903     121.651     39.8197     121.651     
1 1 1 4  2  34 o 160.398 2.30289 47.0779      1.84413   47.4605      1.98329   145.779     122.388     7.69297     122.388     
1 1 1 4  2  35 o 35.4677 3.2616  2.22748      0.55446   2.48929      0.616916  3.18457     71.5764     55.5452     71.5764     
1 1 1 4  2  36 o 137.896 2.25306 34.9519      1.60549   34.9545      1.61544   106.795     73.9549     27.8693     253.955     
1 1 1 4  2  37 o 88.5903 2.34634 14.1116      1.07173   14.808       1.0791    96.0993     74.3128     49.9132     74.3128     
1 1 1 4  2  38 o 25.9311 3.9757  1.52666      0.523175  1.07521      0.517564  8.8255      79.0666     41.4387     79.0666     
1 1 1 4  2  39 o 121.667 2.2965  27.6294      1.44423   26.9581      1.44962   124.732     113.18      40.6583     113.18      
1 1 1 4  2  40 o 86.4796 2.56599 12.1421      1.13047   15.6557      1.15338   66.5279     230.422     14.8223     50.4218     
1 1 1 4  2  41 o 48.7293 3.15163 4.3784       0.779545  4.52779      0.795015  37.4133     176.719     3.65298     356.719     
1 1 1 4  2  42 o 27.2335 4.04157 2.03042      0.545345  0.919063     0.570107  12.4016     289.92      1.78972     109.92      
1 1 1 4  2  43 o 33.5342 3.77304 1.78475      0.601102  2.59709      0.660576  12.5388     182.024     26.8376     2.02372     
1 1 1 4  2  44 o 79.1704 2.55389 12.3236      1.01557   11.113       1.06911   60.9375     252.418     11.3502     72.4184     
1 1 1 4  2  45 o 17.4549 4.11592 0.0805621    0.442265  0.95621      0.512842  2.73796     263.716     2.65784     83.7162     
1 1 1 4  2  46 o 51.6273 2.98918 4.71878      0.792182  5.44581      0.789831  41.2033     304.339     2.40313     124.339     
1 1 1 4  2  47 o 87.6643 2.87055 13.5406      1.28654   15.6347      1.31152   82.5468     234.46      18.9655     234.46      
1 1 1 4  2  48 o 42.459  3.08065 3.71879      0.670229  3.2381       0.66395   37.2336     52.9142     6.24694     52.9142     
1 1 1 4  2  49 o 35.3695 3.76098 2.63634      0.668949  2.36893      0.665903  34.6194     182.252     14.9946     182.252     
1 1 1 4  2  50 f 61.694  2.69843 7.48283      0.862644  7.09713      0.854513  23.3013     150.791     0           0           
1 1 1 4  2  51 o 18.3627 4.45544 0.578895     0.505902  0.768721     0.521336  8.58517     271.259     6.39684     91.2587     
1 1 1 4  2  52 o 12.9506 3.94752 -0.0413626   0.477233  0.144531     0.489404  1.55976     90.4363     19.3244     90.4363     
1 1 1 4  2  53 o 27.4216 4.26436 1.83557      0.590912  1.43278      0.590704  13.4365     351.066     15.0286     171.066     
1 1 1 4  2  54 o 16.9543 4.50229 0.521044     0.545735  0.6206       0.528874  9.60284     352.2       0.335207    172.2       
1 1 1 4  2  55 o 32.4746 4.09395 1.91859      0.651542  2.76492      0.667204  23.9531     76.9131     1.57047     256.913     
1 1 1 4  2  56 o 15.227  4.39271 0.425563     0.538563  0.382221     0.557006  5.14671     197.195     0.0227621   197.195     
1 1 1 4  2  57 o 17.9133 4.84735 0.704964     0.640527  0.830222     0.619947  9.42648     50.9089     1.58144     230.909     
1 1 1 4  2  58 o 12.9879 4.20838 -0.277188    0.619757  0.17913      0.66611   2.88331     60.6212     4.54369     240.621     
1 1 1 4  2  59 o 15.524  4.47281 0.8367       0.584338  0.0763011    0.623086  5.59514     247.144     4.83478     67.1438     
1 1 1 4  2  60 o 34.1467 4.58961 4.15649      0.83831   1.94241      0.726424  31.9654     60.2225     17.1423     60.2225     
1 1 1 4  2  61 o 13.3526 4.21082 0.0806082    0.597591  0.303435     0.590422  1.89285     296.976     8.35066     116.976     
1 1 1 4  2  62 o 21.12   5.34728 1.07815      0.679203  1.87168      0.817803  13.9134     91.5971     3.43166     91.5971     
1 1 1 4  2  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  3  0  o 72.5349 1.90536 9.68376      0.714151  9.68376      0.714151  2.15722     3.3761e-05  100.321     3.37611e-05 
1 1 1 4  3  1  o 421.255 2.50759 325.559      5.47641   325.265      5.47482   415.009     50.4054     22.1953     50.4054     
1 1 1 4  3  2  o 355.12  2.32729 231.923      4.28569   230.558      4.28241   310.933     338.236     56.5767     158.236     
1 1 1 4  3  3  o 91.1046 1.89683 15.2054      0.895058  15.2547      0.894541  23.6735     40.2925     198.01      40.2925     
1 1 1 4  3  4  f 200.916 2.01425 73.904       2.09793   74.1217      2.09762   364.406     309.444     0           0           
1 1 1 4  3  5  o 20.0387 2.63651 1.0657       0.274182  0.498598     0.249832  41.5638     60.0683     87.2791     60.0683     
1 1 1 4  3  6  f 506.875 2.98418 468.307      8.36942   474.507      7.26543   491.902     245.808     0           0           
1 1 1 4  3  7  o 88.8976 1.98785 15.3108      0.94726   13.722       0.882811  8.21612     146.465     117.772     326.465     
1 1 1 4  3  8  o 352.388 2.34456 229.228      4.28386   226.279      4.28133   322.618     253.694     24.7207     73.6938     
1 1 1 4  3  9  o 297.841 2.30034 164.203      3.43109   161.185      3.66555   348.597     151.211     141.598     151.211     
1 1 1 4  3  10 o 35.4528 2.36788 2.12942      0.399065  2.5303       0.46166   37.7716     126.859     90.3378     126.859     
1 1 1 4  3  11 o 129.893 2.04635 31.5689      1.33354   30.3066      1.41864   94.1919     63.5541     24.3477     243.554     
1 1 1 4  3  12 o 195.506 2.04923 69.5228      2.07504   70.6295      2.07837   156.819     185.495     41.7954     5.49454     
1 1 1 4  3  13 o 91.7343 1.98372 14.7765      0.940095  16.1203      0.943025  15.9533     76.7042     106.374     256.704     
1 1 1 4  3  14 o 217.326 2.09924 87.623       2.36613   85.5496      2.36336   207.515     352.346     20.0112     352.346     
1 1 1 4  3  15 o 488.38  2.75101 440.872      6.97105   433.79       6.9574    376.037     308.684     175.739     128.684     
1 1 1 4  3  16 o 373.127 2.44259 255.695      4.7248    254.799      4.7238    317.052     181.163     68.4922     1.16271     
1 1 1 4  3  17 o 164.786 2.30064 49.6658      2.03539   49.8991      1.89197   134.311     214.194     18.5166     34.1936     
1 1 1 4  3  18 o 505.594 3.56301 476.503      9.34208   461.347      9.33209   465.823     329.121     21.9938     149.12      
1 1 1 4  3  19 o 235.464 2.32784 101.395      2.83706   101.908      2.84542   203.017     312.866     23.181      132.866     
1 1 1 4  3  20 o 220.894 2.16525 88.3846      2.47466   90.5399      2.48371   224.286     284.995     53.8753     284.995     
1 1 1 4  3  21 o 198.754 2.22298 72.4233      2.21008   72.4385      2.36772   209.851     252.244     73.3055     252.244     
1 1 1 4  3  22 o 225.237 2.34149 91.7907      2.73214   94.2827      2.73506   167.59      224.978     73.2844     44.9783     
1 1 1 4  3  23 o 235.976 2.20931 102.875      2.70568   101.369      2.69913   223.564     285.481     22.3149     285.481     
1 1 1 4  3  24 f 309.461 2.34907 176.92       3.77      174.418      3.76627   153.95      5.62851     0           0           
1 1 1 4  3  25 o 110.074 2.47321 22.6947      1.41565   21.8179      1.40291   52.7076     326.894     28.8333     326.894     
1 1 1 4  3  26 o 137.907 2.71144 35.6613      1.94276   34.228       1.92968   117.355     317.474     0.1279      317.471     
1 1 1 4  3  27 o 140.58  2.29854 36.6096      1.6753    35.9334      1.67455   83.0105     23.1546     83.2519     203.155     
1 1 1 4  3  28 o 185.945 2.18238 64.4596      2.10601   62.4634      2.10071   171.772     248.09      7.66455     248.09      
1 1 1 4  3  29 o 105.689 2.44531 20.8265      1.28317   20.2449      1.38868   107.258     49.6259     35.0007     49.6259     
1 1 1 4  3  30 o 171.267 2.35749 51.2517      1.92786   56.5537      2.2574    122.987     234.577     62.2275     54.5774     
1 1 1 4  3  31 o 93.2152 2.31959 15.9292      1.08161   16.0289      1.15548   79.9475     88.7206     3.21304     88.7206     
1 1 1 4  3  32 o 72.983  2.41576 10.5975      0.887394  9.04843      0.927217  16.5826     278.736     90.4743     98.7365     
1 1 1 4  3  33 o 163.431 2.29468 48.9195      2.0049    49.2146      1.88063   120.504     202.176     49.7831     22.1764     
1 1 1 4  3  34 o 145.635 2.30752 38.1805      1.79417   39.7683      1.68528   96.9707     134.128     63.893      314.128     
1 1 1 4  3  35 o 38.9866 3.11541 2.84936      0.639113  2.82102      0.5974    13.5998     222.443     15.8567     42.4432     
1 1 1 4  3  36 o 91.2268 2.40385 16.0553      1.17887   14.615       1.09118   63.626      264.448     28.1958     84.4482     
1 1 1 4  3  37 o 50.1294 2.70792 4.76933      0.704307  4.54441      0.692266  31.7953     247.541     1.06829     67.5413     
1 1 1 4  3  38 o 28.498  3.71941 1.33011      0.532499  1.78808      0.521434  1.02621     292.05      26.2901     292.05      
1 1 1 4  3  39 o 96.1257 2.3495  16.3262      1.16388   17.7957      1.1727    82.7228     140.669     1.60468     140.669     
1 1 1 4  3  40 o 111.041 2.66508 23.2668      1.54066   22.4056      1.52275   112.397     30.6628     33.9356     30.6628     
1 1 1 4  3  41 o 91.639  2.73059 14.5304      1.27451   16.7057      1.31129   91.6737     55.5801     27.8506     55.5801     
1 1 1 4  3  42 f 48.8002 2.83904 4.39425      0.686752  4.52571      0.736563  25.7604     42.4997     0           0           
1 1 1 4  3  43 o 53.4307 2.89063 5.40497      0.801087  5.31673      0.787962  50.534      187.489     15.1404     187.489     
1 1 1 4  3  44 o 54.4786 2.88625 5.33268      0.804224  5.86043      0.812931  48.0126     136.323     6.93761     136.323     
1 1 1 4  3  45 o 32.7903 3.36702 2.04076      0.55615   2.1215       0.554779  22.3352     343.634     6.22517     163.634     
1 1 1 4  3  46 o 58.1758 3.08571 6.14161      0.919845  6.77748      0.925997  44.5654     11.2417     7.12887     191.242     
1 1 1 4  3  47 o 44.1758 3.41507 4.02704      0.77697   3.54268      0.759693  33.5344     329.85      4.83867     149.85      
1 1 1 4  3  48 o 42.4877 3.22559 3.20731      0.713778  3.8007       0.674329  32.0824     36.6049     4.43331     216.605     
1 1 1 4  3  49 o 35.161  3.81591 2.13886      0.660881  2.84607      0.676402  22.314      272.24      11.1151     92.2398     
1 1 1 4  3  50 o 43.3052 3.22912 3.46813      0.683696  3.89301      0.744654  37.2968     32.2887     5.78772     32.2887     
1 1 1 4  3  51 o 22.4443 4.41234 1.19824      0.534545  0.951482     0.534156  13.7724     335.655     4.11088     155.655     
1 1 1 4  3  52 o 12.3834 3.85293 0.0378281    0.482248  -0.0944493   0.477799  1.34401     99.1754     2.40879     279.175     
1 1 1 4  3  53 o 14.694  4.20111 0.452848     0.502338  0.116963     0.505047  2.10717     228.068     15.1547     48.0678     
1 1 1 4  3  54 o 27.5001 4.36446 2.08341      0.619473  1.3252       0.605009  25.0901     122.541     10.6287     122.541     
1 1 1 4  3  55 o 13.7341 4.0954  -0.215139    0.506221  0.50605      0.539818  3.32263     253.293     10.1242     73.2925     
1 1 1 4  3  56 o 46.6425 3.33052 4.62997      0.788631  4.52001      0.799393  45.4981     216.043     19.6711     216.043     
1 1 1 4  3  57 o 13.6506 4.22951 -0.546638    0.628901  0.54491      0.607498  3.12141     276.215     7.55642     96.2153     
1 1 1 4  3  58 o 16.4258 4.57624 -0.0258815   0.596008  1.10564      0.6511    7.62862     181.355     0.177789    181.355     
1 1 1 4  3  59 o 22.5594 4.67562 0.634522     0.658397  2.08861      0.664041  11.9592     128.859     6.90435     308.859     
1 1 1 4  3  60 f 13.8703 4.37359 0.393331     0.642979  0.0273894    0.643617  4.44435     353.543     0           0           
1 1 1 4  3  61 o 10.1395 3.48175 -0.509551    0.567778  -0.643093    0.584618  0.673079    319.422     5.98826     319.422     
1 1 1 4  3  62 o 22.9986 5.00757 2.25128      0.72683   0.959306     0.702735  15.043      280.076     0.00535061  280.075     
1 1 1 4  3  63 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  4  0  o 155.375 1.93816 44.2944      1.5599    44.2944      1.5599    124.362     180         51.6585     1.19765e-05 
1 1 1 4  4  1  o 116.818 1.9012  25.9346      1.15235   24.1224      1.14913   34.9919     322.546     129.526     142.546     
1 1 1 4  4  2  o 117.673 1.9025  24.7615      1.15957   26.0229      1.16086   76.2245     303.424     29.8074     303.424     
1 1 1 4  4  3  o 141.517 1.93154 37.5115      1.4187    35.9384      1.41473   89.1081     350.086     68.2688     170.086     
1 1 1 4  4  4  o 69.7725 1.92737 8.30108      0.693226  9.60231      0.69558   16.1905     330.389     118.614     330.389     
1 1 1 4  4  5  o 227.304 2.06025 96.749       2.43051   92.7603      2.42382   164.953     49.2637     94.0776     229.264     
1 1 1 4  4  6  o 51.7941 1.98649 4.28715      0.52426   5.62571      0.531735  100.011     256.069     271.489     256.069     
1 1 1 4  4  7  o 187.095 2.00412 63.3234      1.94202   65.0568      1.94505   85.7201     67.5536     174.188     247.554     
1 1 1 4  4  8  o 223.132 2.06697 92.109       2.39172   90.4857      2.38958   180.146     216.988     52.8121     36.988      
1 1 1 4  4  9  o 307.138 2.24092 172.338      3.56658   173.632      3.56883   244.034     212.455     92.3001     32.4553     
1 1 1 4  4  10 o 163.866 1.99061 49.606       1.69181   48.8569      1.68984   169.115     342.162     117.964     342.162     
1 1 1 4  4  11 o 411.459 2.51081 307.558      5.3548    313.325      5.35514   433.594     247.528     87.1543     247.528     
1 1 1 4  4  12 o 249.968 2.21849 112.142      2.96273   116.991      2.77858   298.97      94.3386     144.378     94.3386     
1 1 1 4  4  13 o 133.411 2.16373 31.6214      1.5877    33.6727      1.38958   104.504     227.278     7.42503     47.2781     
1 1 1 4  4  14 o 387.534 2.55441 271.452      5.2856    279.268      4.96682   344.24      183.67      43.2275     3.67007     
1 1 1 4  4  15 o 524.209 2.95848 508.147      7.77377   499.637      8.29114   494.041     146.989     5.78758     326.989     
1 1 1 4  4  16 o 362.905 2.68356 243.634      4.85636   239.328      5.22947   244.907     283.827     193.276     103.827     
1 1 1 4  4  17 o 354.867 2.90524 231.676      5.10565   230.172      5.57095   381.494     208.172     101.825     208.172     
1 1 1 4  4  18 o 284.405 2.72663 150.663      3.84223   145.994      4.18378   235.356     170.921     55.701      350.921     
1 1 1 4  4  19 o 224.275 2.31091 91.4482      2.68192   92.998       2.69109   172.028     140.105     63.9342     320.105     
1 1 1 4  4  20 o 162.354 2.10169 48.7516      1.76972   47.9026      1.76766   150.382     159.513     26.9115     159.513     
1 1 1 4  4  21 f 429.485 2.62263 338.764      5.83887   337.823      5.83853   362.888     108.667     0           0           
1 1 1 4  4  22 o 176.868 2.27978 58.2221      2.09465   56.5204      2.0854    179.747     216.73      58.6177     216.73      
1 1 1 4  4  23 o 237.735 2.36929 103.89       2.92123   103.442      2.91822   253.699     102.046     83.091      102.046     
1 1 1 4  4  24 o 277.97  2.29416 144.54       3.30677   138.964      3.30357   276.568     75.833      49.0231     75.833      
1 1 1 4  4  25 o 143.458 2.45783 36.0321      1.81828   39.5631      1.83326   49.7003     240.052     153.704     60.0521     
1 1 1 4  4  26 o 110.15  2.3008  21.2236      1.30706   23.3714      1.31552   101.814     126.349     36.6402     126.349     
1 1 1 4  4  27 o 128.888 2.30006 30.5264      1.53544   30.4933      1.53546   63.9321     275.467     100.907     95.4666     
1 1 1 4  4  28 o 280.601 2.32232 145.909      3.37969   143.19       3.37583   264.98      257.554     17.2656     257.554     
1 1 1 4  4  29 o 119.854 2.24771 27.2353      1.44882   25.5627      1.34189   88.8075     35.57       33.9039     215.57      
1 1 1 4  4  30 o 189.614 2.35513 64.1722      2.30325   67.9219      2.32557   173.324     181.346     6.00324     181.346     
1 1 1 4  4  31 o 82.6419 2.26687 13.3878      0.978165  11.7629      0.958401  69.5102     64.0841     4.45993     64.084      
1 1 1 4  4  32 o 94.6831 2.24575 17.3209      1.10604   15.6689      1.09373   101.811     267.576     50.121      267.576     
1 1 1 4  4  33 o 139.208 2.20924 36.9669      1.60558   34.2495      1.58186   114.896     292.077     15.5296     112.077     
1 1 1 4  4  34 o 24.2233 3.90454 0.792636     0.48438   1.47875      0.488297  10.0849     128.837     37.9359     128.837     
1 1 1 4  4  35 o 37.8531 3.06618 2.69135      0.590032  2.6563       0.591498  9.09104     138.524     4.90411     318.524     
1 1 1 4  4  36 o 231.112 2.39163 97.3992      2.76363   99.0875      2.96467   242.44      352.62      77.2653     352.62      
1 1 1 4  4  37 o 72.0049 2.5033  9.68174      0.904466  9.45837      0.956966  39.5793     5.46185     39.6814     185.462     
1 1 1 4  4  38 o 110.035 2.39178 23.4027      1.32606   21.2744      1.39266   104.227     355.6       20.7308     355.6       
1 1 1 4  4  39 o 140.076 2.44457 37.2588      1.78603   35.1817      1.762     116.33      234.974     10.2669     54.9744     
1 1 1 4  4  40 o 67.9965 2.82485 10.0644      1.00838   7.2432       0.96035   42.9542     44.7792     29.1778     224.779     
1 1 1 4  4  41 o 73.6491 2.64729 9.29697      1.00042   10.8997      1.00993   75.8458     73.9656     29.12       73.9656     
1 1 1 4  4  42 o 72.6164 2.78185 8.94333      1.06458   10.7798      1.00792   72.3962     187.865     24.2689     187.865     
1 1 1 4  4  43 o 32.121  3.58197 2.65479      0.593313  1.41903      0.537689  18.6167     254.409     10.5643     74.4089     
1 1 1 4  4  44 o 62.2291 2.76396 7.61964      0.89379   6.94835      0.879437  44.4511     243.773     14.7315     63.773      
1 1 1 4  4  45 o 36.3112 3.51195 3.09552      0.646651  2.06891      0.621735  21.0276     77.3735     16.0628     257.373     
1 1 1 4  4  46 o 34.0325 4.0699  1.6132       0.672416  3.09943      0.676185  22.8836     221.059     8.13209     41.0588     
1 1 1 4  4  47 o 14.5832 4.09181 0.383031     0.456301  0.0977303    0.48097   1.08885     72.6988     15.9601     252.699     
1 1 1 4  4  48 o 30.971  4.06515 1.3341       0.617069  2.63499      0.624219  20.1622     166.258     8.07444     346.258     
1 1 1 4  4  49 o 42.8505 3.17434 2.8301       0.669084  4.40865      0.69234   39.03       127.662     9.94015     127.662     
1 1 1 4  4  50 o 17.0962 4.47799 0.648548     0.536445  0.3862       0.525999  7.64331     31.1035     3.35459     211.104     
1 1 1 4  4  51 o 13.5148 3.87221 0.538855     0.481268  -0.452622    0.468667  1.61954     116.106     11.6868     296.106     
1 1 1 4  4  52 f 45.957  3.1549  4.09334      0.745973  4.29692      0.737491  31.7715     356.036     0           0           
1 1 1 4  4  53 o 12.8763 3.94603 0.077131     0.49252   0.0502073    0.479975  1.79737     108.112     11.3153     288.112     
1 1 1 4  4  54 o 49.1479 3.14794 5.55415      0.799383  4.28129      0.776981  48.5885     297.479     20.4679     297.479     
1 1 1 4  4  55 f 46.2563 3.29329 4.47448      0.771969  4.39872      0.785492  32.423      97.8474     0           0           
1 1 1 4  4  56 o 15.7447 4.49688 0.187572     0.600453  0.687337     0.570106  5.56446     10.4828     7.56412     190.483     
1 1 1 4  4  57 o 18.1896 4.71407 1.18427      0.61812   0.372938     0.618936  10.086      38.5466     0.790259    218.547     
1 1 1 4  4  58 o 17.06   4.68116 0.200777     0.631428  1.09989      0.635806  8.25438     206.813     1.59578     206.813     
1 1 1 4  4  59 o 12.6097 3.87356 0.673886     0.558743  -1.13937     0.559361  1.58451     30.0792     6.1302      210.079     
1 1 1 4  4  60 o 13.8905 4.36079 -0.00525627  0.655744  0.423859     0.619847  2.16314     145.74      3.40398     325.74      
1 1 1 4  4  61 o 11.1111 3.70745 -0.657757    0.572658  0.0479387    0.566151  0.284359    250.137     3.50684     70.1368     
1 1 1 4  4  62 o 13.996  4.35653 0.104486     0.626146  0.526523     0.617449  1.229       132.699     0.174214    312.699     
1 1 1 4  5  0  o 145.342 1.92821 38.765       1.45155   38.765       1.45155   155.873     180         41.3755     180         
1 1 1 4  5  1  o 267.576 2.20427 129.83       2.94992   132.784      3.16312   314.428     119.518     134.457     119.518     
1 1 1 4  5  2  f 127.608 2.1445  30.7535      1.3631    29.0029      1.46677   166.071     324.089     0           0           
1 1 1 4  5  3  o 66.4758 2.08699 8.16166      0.716971  8.0775       0.717705  47.1743     246.535     188.187     246.535     
1 1 1 4  5  4  o 402.419 2.63827 300.067      5.50369   294.085      5.50264   326.642     172.722     115.306     352.722     
1 1 1 4  5  5  o 236.982 2.15236 101.556      2.54904   104.43       2.73782   196.835     68.7908     47.1055     248.791     
1 1 1 4  5  6  f 154.613 1.95838 42.7699      1.56735   44.9065      1.57112   99.6379     182.734     0           0           
1 1 1 4  5  7  o 127.141 1.92901 30.0339      1.27176   29.2446      1.2707    66.3025     150.754     83.4756     330.754     
1 1 1 4  5  8  o 234.216 2.08525 103.147      2.53556   98.0481      2.52677   241.423     196.592     53.6309     196.592     
1 1 1 4  5  9  o 464.948 2.65091 406.544      6.40092   386.458      6.37457   415.12      86.9334     56.1002     266.933     
1 1 1 4  5  10 o 227.774 2.08623 96.6981      2.4664    93.5431      2.45957   182.222     13.566      56.2386     193.566     
1 1 1 4  5  11 o 328.609 2.29624 202.269      3.91719   193.721      3.90443   329.689     174.175     42.6276     174.175     
1 1 1 4  5  12 o 411.776 2.51209 308.986      5.35922   312.765      5.36468   460.262     8.379       143.91      8.37899     
1 1 1 4  5  13 o 236.094 2.1215  103.847      2.59786   100.531      2.59434   242.747     233.407     55.4178     233.407     
1 1 1 4  5  14 o 151.729 2.0196  41.5135      1.58689   42.8964      1.58968   135.812     52.0853     18.1059     52.0854     
1 1 1 4  5  15 o 379.863 2.61973 269.462      5.16201   259.711      5.15359   390.042     241.533     68.1562     241.533     
1 1 1 4  5  16 o 315.228 2.46184 180.246      4.01726   184.135      4.02784   256.873     178.111     74.0929     358.111     
1 1 1 4  5  17 o 596.731 3.4432  658.156      11.0601   648.167      10.2306   674.897     192.627     225.538     192.627     
1 1 1 4  5  18 f 226.304 2.61184 91.1985      3.18736   96.6577      2.92519   181.919     131.844     0           0           
1 1 1 4  5  19 o 226.316 2.41148 90.3814      2.92072   97.5167      2.72322   203.463     318.363     1.62268     138.363     
1 1 1 4  5  20 f 81.6659 2.2432  13.2252      0.981358  11.307       0.913922  31.1662     214.966     0           0           
1 1 1 4  5  21 o 205.86  2.22297 77.9885      2.4432    77.4345      2.29933   102.4       319.184     168.512     139.184     
1 1 1 4  5  22 o 316.254 2.43104 183.181      3.85144   183.721      4.11513   354.157     0.537573    131.61      0.537573    
1 1 1 4  5  23 o 155.211 2.46989 43.414       1.82106   44.9834      2.14526   158.591     28.7922     107.253     28.7922     
1 1 1 4  5  24 o 270.417 2.73713 135.765      4.01946   132.671      3.64887   294.903     265.128     101.696     265.128     
1 1 1 4  5  25 o 235.86  2.55741 102.587      3.13186   101.629      3.1215    232.579     200.494     39.7355     200.494     
1 1 1 4  5  26 o 79.5879 2.35918 11.0497      0.965478  12.2588      0.975235  50.3565     88.6726     15.3754     88.6726     
1 1 1 4  5  27 o 40.9509 2.83802 2.67478      0.5856    3.57919      0.593761  0.150838    61.3861     41.0641     61.3862     
1 1 1 4  5  28 o 119.993 2.16117 25.6276      1.33972   27.2608      1.34679   100.597     144.587     9.84117     324.587     
1 1 1 4  5  29 o 59.2292 2.38526 6.62776      0.732989  6.3016       0.72541   38.6069     122.361     1.09736     122.361     
1 1 1 4  5  30 o 83.0013 2.4284  13.7388      1.0464    11.6588      1.03424   68.2086     260.875     0.446167    260.875     
1 1 1 4  5  31 o 289.686 2.5325  155.855      3.80092   152.586      3.80438   290.192     311.807     58.2123     311.807     
1 1 1 4  5  32 o 187.545 2.22738 63.9199      2.16231   65.2929      2.1683    145.64      88.752      43.5711     268.752     
1 1 1 4  5  33 o 259.205 2.32635 123.1        3.12405   123.797      3.12735   238.383     24.4556     13.0945     24.4555     
1 1 1 4  5  34 o 20.8796 4.07771 1.06978      0.476858  0.587383     0.45391   15.2401     1.91904     45.2556     1.91904     
1 1 1 4  5  35 o 37.7015 3.06506 3.02053      0.599344  2.31029      0.570944  5.78563     105.052     37.64       285.052     
1 1 1 4  5  36 f 56.0166 2.60312 6.19171      0.766253  5.4244       0.736215  49.3853     278.77      0           0           
1 1 1 4  5  37 o 15.8301 4.0091  0.0885185    0.433501  0.620352     0.444643  11.3419     281.143     27.752      281.143     
1 1 1 4  5  38 o 40.2024 3.00756 2.81819      0.621656  3.23077      0.608982  22.3539     270.762     3.33459     270.762     
1 1 1 4  5  39 o 71.9306 2.78755 9.42165      1.0348    9.78123      1.0357    69.3996     19.2908     19.0835     19.2908     
1 1 1 4  5  40 o 54.7879 2.72287 5.25157      0.745767  5.93578      0.79086   39.7656     64.4709     10.7654     244.471     
1 1 1 4  5  41 o 38.7833 3.19357 2.50969      0.641958  3.19531      0.602004  31.6473     57.8564     7.00559     57.8564     
1 1 1 4  5  42 o 36.6765 3.53595 2.47577      0.628428  2.67269      0.681299  29.0335     191.158     5.44361     191.158     
1 1 1 4  5  43 o 46.0679 2.89988 3.64325      0.657335  4.37847      0.712598  35.8591     132.872     2.33617     312.872     
1 1 1 4  5  44 o 63.32   2.88185 7.74147      0.911783  7.38554      0.967099  68.4662     189.242     33.1142     189.242     
1 1 1 4  5  45 o 44.7171 3.66642 4.70684      0.859066  3.13603      0.790466  36.8225     74.8844     1.36216     74.8844     
1 1 1 4  5  46 o 42.6182 3.43763 3.06199      0.73462   4.00357      0.74502   36.5544     125.768     4.36422     125.768     
1 1 1 4  5  47 f 13.3381 3.96483 0.135348     0.479189  0.0591872    0.450629  21.2607     152.344     0           0           
1 1 1 4  5  48 o 25.5749 4.29482 1.22593      0.555631  1.48296      0.568016  15.3677     18.4521     7.74457     198.452     
1 1 1 4  5  49 o 38.0245 3.48299 2.49042      0.677447  3.25794      0.643377  29.3239     346.197     1.46028     166.197     
1 1 1 4  5  50 o 47.8182 3.341   4.61295      0.836607  4.41555      0.79811   37.9132     51.0541     0.591494    231.054     
1 1 1 4  5  51 o 42.427  3.24427 3.38693      0.696405  3.75037      0.706626  26.0582     97.3151     15.279      277.315     
1 1 1 4  5  52 o 32.8486 3.91904 1.71827      0.626254  2.85006      0.638874  24.2982     61.1266     1.92983     241.127     
1 1 1 4  5  53 o 40.2917 3.40245 3.6916       0.699428  2.9637       0.686117  31.2753     13.0254     0.343748    193.025     
1 1 1 4  5  54 o 33.2643 4.0079  1.76643      0.647484  3.12127      0.655358  27.8527     45.585      5.16857     45.585      
1 1 1 4  5  55 o 21.4139 4.74037 1.101        0.589411  1.1155       0.580133  14.2882     307.79      0.587383    127.79      
1 1 1 4  5  56 o 14.337  4.37568 -0.224262    0.610176  0.563328     0.626144  2.88641     152.871     0.939436    332.871     
1 1 1 4  5  57 o 18.0785 4.70286 0.571899     0.577426  1.03121      0.60222   10.034      315.368     1.79041     315.368     
1 1 1 4  5  58 o 12.6721 4.02975 -0.159877    0.564762  0.226253     0.557269  1.49976     108.555     1.50477     288.555     
1 1 1 4  5  59 o 14.5786 4.42419 0.318221     0.57981   0.438664     0.619323  3.62841     175.534     5.04381     355.534     
1 1 1 4  5  60 o 11.4669 3.81481 -0.0787044   0.569705  -0.420125    0.604986  0.124668    108.843     1.56736     288.843     
1 1 1 4  5  61 o 11.6871 3.93915 -0.0642828   0.692259  -0.505871    0.622522  0.649424    307.637     12.5327     307.637     
1 1 1 4  5  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  6  0  o 58.1859 1.95059 6.24794      0.585295  6.24794      0.585295  29.0462     360         121.238     360         
1 1 1 4  6  1  o 138.498 2.0735  36.25        1.48893   34.112       1.48729   126.545     197.686     63.2007     197.686     
1 1 1 4  6  2  o 99.9208 2.06518 17.9481      1.06673   18.7018      1.07001   52.0317     192.811     19.1292     12.8109     
1 1 1 4  6  3  o 189.813 2.14829 65.2185      2.11203   66.9196      2.11523   166.346     56.6327     9.40381     236.633     
1 1 1 4  6  4  o 409.642 2.65699 307.011      5.64168   308.56       5.64208   457.648     315.976     138.495     315.976     
1 1 1 4  6  5  o 304.618 2.38101 166.965      3.75471   173.388      3.76376   331.648     58.1256     93.7446     58.1256     
1 1 1 4  6  6  o 251.112 2.26454 115.801      2.94845   115.442      2.94688   197.113     18.3617     74.0373     198.362     
1 1 1 4  6  7  o 370.505 2.45982 255.263      4.88763   248.188      4.55895   307.589     183.239     87.1723     3.23878     
1 1 1 4  6  8  o 205.106 2.02732 78.3661      2.15786   75.8901      2.15264   185.722     159.054     0.430551    339.054     
1 1 1 4  6  9  o 249.182 2.11863 115.009      2.73824   112.657      2.73465   268.902     134.207     81.4092     134.207     
1 1 1 4  6  10 o 597.022 3.05883 655.103      9.46824   652.151      9.46417   542.115     306.951     53.516      126.951     
1 1 1 4  6  11 o 322.775 2.28188 191.237      3.81802   190.754      3.81776   378.34      329.76      157.032     329.76      
1 1 1 4  6  12 o 535.969 2.87117 530.021      7.97893   523.438      7.97449   513.505     286.924     10.4591     286.925     
1 1 1 4  6  13 o 566.279 2.97421 587.847      8.72805   588.175      8.73268   577.148     94.2105     81.6832     94.2105     
1 1 1 4  6  14 o 69.6302 2.157   8.42428      0.751462  9.39949      0.802023  53.0542     135.428     209.453     135.428     
1 1 1 4  6  15 o 408.974 2.69757 298.591      5.70079   314.888      5.73447   434.636     21.4374     103.641     21.4374     
1 1 1 4  6  16 o 465.853 2.87154 400.939      6.93199   395          6.93603   427.773     70.7556     19.5863     250.756     
1 1 1 4  6  17 o 201.287 2.25287 74.9644      2.35232   73.6054      2.34882   197.844     323.905     40.1688     323.905     
1 1 1 4  6  18 o 416.527 2.84937 313.69       5.91149   322.708      6.38923   369.453     276.909     38.431      96.9088     
1 1 1 4  6  19 o 34.0007 3.04546 1.77262      0.510057  2.57489      0.52545   63.9502     175.234     150.054     175.234     
1 1 1 4  6  20 o 46.4249 2.45315 4.36257      0.586787  3.60516      0.581486  38.855      334.897     113.123     334.897     
1 1 1 4  6  21 o 318.698 2.34589 186.929      3.87743   185.639      3.87338   327.756     203.775     72.1791     203.775     
1 1 1 4  6  22 o 134.798 2.10362 33.2423      1.4705    33.4069      1.46924   88.6973     326.988     47.5652     146.988     
1 1 1 4  6  23 o 126.694 2.44468 29.2896      1.60515   29.6553      1.60277   66.4287     87.4075     80.9407     267.408     
1 1 1 4  6  24 o 103.347 2.7052  18.8914      1.44612   20.3889      1.44565   80.4429     318.876     30.0619     318.876     
1 1 1 4  6  25 o 275.812 2.543   142.618      3.77834   136.716      3.49228   255.095     221.925     7.39853     221.924     
1 1 1 4  6  26 o 70.4487 2.42859 9.39649      0.890664  8.87295      0.877493  44.5973     51.2901     14.8042     51.2901     
1 1 1 4  6  27 o 125.515 2.38588 30.3885      1.61456   27.539       1.48806   89.142      284.644     44.7209     104.644     
1 1 1 4  6  28 o 56.7081 2.54979 4.97995      0.728853  6.96601      0.748993  20.3657     308.659     46.2212     128.659     
1 1 1 4  6  29 o 120.95  2.24601 26.4007      1.36218   27.3666      1.45151   104.311     312.5       2.74021     132.5       
1 1 1 4  6  30 o 20.1233 3.87023 0.226031     0.442146  1.26377      0.477386  21.7258     6.64085     54.0453     6.64085     
1 1 1 4  6  31 o 25.117  3.94219 0.833414     0.479561  1.62359      0.533416  34.5378     275.319     97.4856     275.319     
1 1 1 4  6  32 o 252.32  2.38195 119.593      3.01692   114.4        3.20563   254.077     222.46      56.9277     222.46      
1 1 1 4  6  33 o 72.002  2.37207 9.36394      0.881853  9.73413      0.883708  73.4287     259.52      40.4197     259.52      
1 1 1 4  6  34 o 109.194 2.26364 21.27        1.27698   22.606       1.28202   108.442     297.463     30.0929     297.463     
1 1 1 4  6  35 o 88.7146 2.32404 14.9769      1.07284   14.0149      1.06041   46.0359     50.0678     59.4737     230.068     
1 1 1 4  6  36 o 162.6   2.25704 47.8419      1.89565   49.4399      1.90886   135.437     322.057     12.6865     142.057     
1 1 1 4  6  37 o 36.7833 3.13527 2.44062      0.585539  2.63422      0.585105  13.6069     74.2331     11.5111     254.233     
1 1 1 4  6  38 o 17.4237 4.29394 0.649987     0.482923  0.347882     0.482986  21.365      239.893     61.3222     239.893     
1 1 1 4  6  39 o 93.2679 2.68979 14.9016      1.28744   17.3943      1.30305   95.0833     15.1211     31.4501     15.1211     
1 1 1 4  6  40 o 11.6362 3.45602 0.329041     0.424123  -0.642157    0.373454  8.26681     336.709     21.9228     336.709     
1 1 1 4  6  41 o 53.4063 2.68043 4.44758      0.718521  6.27987      0.741813  50.1658     115.739     14.9604     115.739     
1 1 1 4  6  42 o 26.2031 4.05129 0.981988     0.525617  1.75562      0.554145  12.7456     224.944     6.46033     44.9442     
1 1 1 4  6  43 f 65.2604 2.53356 8.13372      0.859445  7.80197      0.848012  40.8832     305.988     0           0           
1 1 1 4  6  44 o 30.9401 3.71092 1.94116      0.555873  1.81325      0.590014  26.5757     272.258     16.2946     272.258     
1 1 1 4  6  45 o 18.6161 4.64416 0.894236     0.589595  0.314703     0.563525  6.44002     298.158     10.3495     118.158     
1 1 1 4  6  46 o 22.0658 3.77702 0.197916     0.486928  1.73297      0.502535  14.5548     71.2851     7.6013      71.2851     
1 1 1 4  6  47 o 28.3755 3.85335 1.40714      0.535694  1.83985      0.55587   24.4165     48.6377     6.80749     48.6377     
1 1 1 4  6  48 o 32.9572 3.87373 2.08607      0.633026  2.29363      0.643547  32.6159     98.9925     16.0306     98.9925     
1 1 1 4  6  49 o 26.1838 4.27891 1.38149      0.546625  1.48689      0.591727  20.2285     36.1858     2.49729     36.1858     
1 1 1 4  6  50 o 34.1975 3.87839 2.18336      0.660918  2.60327      0.663775  19.6342     133.975     14.2701     313.975     
1 1 1 4  6  51 o 16.9509 4.55039 0.589481     0.556685  0.438356     0.548111  7.7972      243.396     4.4113      63.3957     
1 1 1 4  6  52 o 17.6998 4.54427 0.718427     0.541641  0.539444     0.539197  7.46369     277.112     8.9628      97.1119     
1 1 1 4  6  53 o 12.1769 3.87547 -0.115545    0.537678  -0.0727156   0.48981   1.88833     278.841     1.7426      98.8406     
1 1 1 4  6  54 o 14.8002 4.22247 0.614053     0.533905  0.0185984    0.503644  6.67638     168.179     0.749913    348.179     
1 1 1 4  6  55 o 21.4303 3.81827 2.17819      0.607106  -0.313716    0.55933   16.7187     286.014     7.03658     286.014     
1 1 1 4  6  56 o 22.4034 5.24337 1.66157      0.750743  1.04119      0.68696   10.4038     211.714     10.6424     31.7137     
1 1 1 4  6  57 o 13.7569 4.21003 0.116772     0.569421  0.331167     0.54217   3.87771     224.49      5.08751     44.4897     
1 1 1 4  6  58 o 17.9389 4.71643 1.193        0.632661  0.460849     0.583631  5.92585     196.447     2.24191     196.447     
1 1 1 4  6  59 o 15.6413 4.65452 0.666088     0.645277  0.398899     0.645757  2.48622     98.3049     13.1595     278.305     
1 1 1 4  6  60 o 11.9157 3.9238  0.00365008   0.590733  -0.256653    0.593986  0.247848    42.7168     8.6319      222.717     
1 1 1 4  6  61 f 14.4728 4.55395 0.337497     0.687558  0.421998     0.68862   8.50957     19.8241     0           0           
1 1 1 4  6  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  7  0  o 91.8948 2.06101 15.526       0.979515  15.526       0.979515  42.2197     180         18.685      360         
1 1 1 4  7  1  o 187.697 2.13967 65.2385      2.08352   63.949       2.07992   157.712     346.617     22.3256     166.617     
1 1 1 4  7  2  f 496.519 2.93067 456.564      7.54742   447.772      7.53779   381.716     9.37996     0           0           
1 1 1 4  7  3  o 161.583 2.02788 48.2733      1.75918   47.461       1.63657   116.397     216.494     52.8979     36.4939     
1 1 1 4  7  4  o 225.666 2.03964 93.4442      2.38683   93.2773      2.38495   179.086     221.571     58.0528     41.5714     
1 1 1 4  7  5  o 321.774 2.32932 190.772      4.02118   188.892      3.74559   313.772     166.822     23.7403     166.822     
1 1 1 4  7  6  f 363.405 2.53598 242.774      4.77847   241.507      4.77581   319.285     335.934     0           0           
1 1 1 4  7  7  o 263.015 2.29098 125.908      3.12117   127.742      3.12562   266.466     107.361     47.3284     107.361     
1 1 1 4  7  8  o 169.541 1.98588 51.8803      1.7433    53.5096      1.74695   113.601     264.441     75.6353     84.4409     
1 1 1 4  7  9  o 531.251 2.83936 518.958      7.82054   516.016      7.8174    550.218     2.74981     92.9235     2.74981     
1 1 1 4  7  10 o 310.084 2.24423 178.097      3.6099    174.452      3.60441   290.829     157.189     3.1737      157.189     
1 1 1 4  7  11 o 128.804 1.98684 31.6278      1.32918   29.2208      1.32262   92.1377     220.583     23.7169     40.5825     
1 1 1 4  7  12 o 30.5413 2.54332 2.01577      0.39135   1.47389      0.389582  27.335      172.815     62.0724     172.815     
1 1 1 4  7  13 o 541.616 2.99784 534.819      8.13373   541.06       8.69298   534.06      230.049     46.1086     230.049     
1 1 1 4  7  14 f 350.35  2.53135 227.434      4.59667   222.685      4.59717   236.722     57.2545     0           0           
1 1 1 4  7  15 o 242.495 2.2904  110.19       2.88008   105.457      2.87699   218.545     240.603     4.5926      60.6029     
1 1 1 4  7  16 o 580.813 3.23935 621.924      9.76067   615.616      9.74462   598.183     224.077     105.951     224.077     
1 1 1 4  7  17 o 261.376 2.3558  125.564      3.1944    124.969      3.18919   276.658     134.005     79.8762     134.005     
1 1 1 4  7  18 o 191.16  2.2501  65.9792      2.22441   68.0368      2.23455   130.099     206.628     81.6293     26.628      
1 1 1 4  7  19 o 179.699 2.2438  60.4194      2.0913    58.0236      2.08825   177.757     96.2116     47.2877     96.2116     
1 1 1 4  7  20 o 255.729 2.21378 122.371      2.93748   117.52       2.93089   268.162     182.177     76.1129     182.177     
1 1 1 4  7  21 o 285.81  2.27904 148.069      3.37108   151.606      3.38159   247.56      112.792     26.0603     292.792     
1 1 1 4  7  22 o 81.0065 2.30304 12.129       0.963084  11.9864      0.967033  18.043      117.063     74.3821     297.063     
1 1 1 4  7  23 f 179.199 2.27241 57.4459      2.108     60.4101      2.11279   203.636     101.012     0           0           
1 1 1 4  7  24 o 124.981 2.46826 28.2574      1.59239   29.1335      1.60246   61.6357     68.5685     94.7976     248.568     
1 1 1 4  7  25 o 162.909 2.21901 49.1072      1.94004   48.3079      1.80626   137.63      39.358      15.7338     219.358     
1 1 1 4  7  26 o 236.987 2.30955 101.018      2.73734   105.208      2.93662   239.921     20.6383     49.3754     20.6383     
1 1 1 4  7  27 o 183.213 2.31845 61.3626      2.19978   61.9068      2.20387   149.14      75.594      31.9083     255.594     
1 1 1 4  7  28 f 154.296 2.16422 42.1837      1.72387   45.2625      1.73687   137.57      61.1028     0           0           
1 1 1 4  7  29 o 61.7253 2.36198 6.13175      0.740651  7.9662       0.757186  43.6044     294.532     5.78248     294.532     
1 1 1 4  7  30 o 102.495 2.21176 19.2134      1.17257   19.4096      1.17485   74.5208     175.311     27.6582     355.311     
1 1 1 4  7  31 o 83.2771 2.53547 13.4652      1.13841   12.0935      1.0461    21.9718     339.279     99.6185     159.279     
1 1 1 4  7  32 o 191.592 2.38999 67.9455      2.36212   66.9726      2.38473   196.547     71.0443     53.5937     71.0443     
1 1 1 4  7  33 o 148.842 2.29515 41.5637      1.83313   39.8747      1.70826   151.932     45.5304     43.4324     45.5304     
1 1 1 4  7  34 f 143.492 2.30094 38.3462      1.76363   37.3651      1.65879   131.839     53.515      0           0           
1 1 1 4  7  35 o 67.432  2.60272 9.41421      0.91184   7.43801      0.893015  60.3107     156.647     18.5742     156.647     
1 1 1 4  7  36 o 94.2576 2.39028 16.6926      1.13043   16.0698      1.19883   60.4243     19.7922     39.4857     199.792     
1 1 1 4  7  37 o 23.8645 3.58745 2.13667      0.508171  0.0888009    0.492605  6.73032     18.9301     37.74       18.9301     
1 1 1 4  7  38 o 50.4341 3.14326 4.52861      0.788203  4.98396      0.838702  12.5593     72.268      58.7716     252.268     
1 1 1 4  7  39 o 91.8663 2.59997 15.4883      1.20032   15.8058      1.27046   99.2084     279.736     43.1093     279.736     
1 1 1 4  7  40 o 66.0689 2.47875 8.40173      0.852239  7.82184      0.839075  43.9379     98.3955     22.8702     278.396     
1 1 1 4  7  41 o 56.8212 2.61155 6.03317      0.765532  6.01948      0.764533  52.1994     42.6723     12.2353     42.6723     
1 1 1 4  7  42 o 80.1242 2.59027 12.162       1.07046   11.817       1.07522   76.1185     108.345     18.1923     108.345     
1 1 1 4  7  43 o 68.2172 2.52281 9.24415      0.900269  8.19848      0.876479  64.1644     132.858     15.0992     132.858     
1 1 1 4  7  44 o 13.0334 3.76077 0.469947     0.473087  -0.549813    0.435066  4.88225     181.905     24.0621     181.905     
1 1 1 4  7  45 o 39.1913 3.59215 3.01352      0.743964  2.97485      0.679614  33.8381     350.019     5.24157     350.019     
1 1 1 4  7  46 o 56.816  2.82012 5.46744      0.842819  6.84427      0.790971  52.8414     75.205      12.7328     75.205      
1 1 1 4  7  47 o 46.3499 2.92745 4.11676      0.695449  4.13765      0.696446  38.7841     23.5867     2.80264     23.5867     
1 1 1 4  7  48 o 19.9058 4.45081 0.522995     0.517297  1.08023      0.542725  11.5462     33.226      2.6218      213.226     
1 1 1 4  7  49 o 51.137  2.88197 5.74831      0.772686  4.41113      0.735741  42.6664     15.0242     3.35466     15.0242     
1 1 1 4  7  50 o 75.191  2.61141 10.2753      1.00662   11.4428      1.02113   59.9766     7.26204     1.54158     187.262     
1 1 1 4  7  51 o 12.875  3.85748 -0.695812    0.481069  0.481124     0.520054  1.82664     57.4236     1.7951      237.424     
1 1 1 4  7  52 o 11.698  3.7357  -0.133289    0.488254  -0.122622    0.475616  0.406189    40.443      11.7828     220.443     
1 1 1 4  7  53 o 21.4952 4.29174 0.421113     0.548364  1.64162      0.567292  13.0688     91.9261     4.59643     271.926     
1 1 1 4  7  54 f 17.4475 4.53818 0.587026     0.548253  0.737331     0.534928  14.4747     201.542     0           0           
1 1 1 4  7  55 o 24.7878 5.08672 2.04171      0.730053  1.13055      0.704521  14.9826     337.674     5.37863     157.674     
1 1 1 4  7  56 o 12.3169 3.87762 0.301657     0.507184  -0.435962    0.547594  1.41136     186.09      8.82424     6.09019     
1 1 1 4  7  57 o 22.3896 4.84231 0.928385     0.609092  1.75081      0.662284  15.6161     209.247     1.61847     209.247     
1 1 1 4  7  58 o 18.0456 4.18583 1.59421      0.598777  -0.285128    0.567352  9.13565     190.537     2.24928     10.5369     
1 1 1 4  7  59 o 14.959  4.60179 0.52234      0.672736  0.286537     0.664499  2.72616     226.174     1.82717     46.1742     
1 1 1 4  7  60 o 13.4228 4.32311 -0.218741    0.712698  0.374177     0.64796   2.26933     234.229     3.21182     54.2285     
1 1 1 4  7  61 o 16.8356 4.8782  0.448422     0.6855    1.11138      0.707501  7.78941     143.264     2.40078     323.264     
1 1 1 4  8  0  o 37.577  2.53866 2.65847      0.483471  2.65847      0.483471  14.1157     180         34.9844     180         
1 1 1 4  8  1  o 84.5714 2.09337 12.1031      0.909204  14.194       0.919741  1.13496     215.35      127.2       215.35      
1 1 1 4  8  2  o 97.049  1.93516 17.1925      0.972739  17.3657      0.97231   45.3053     214.173     34.6119     34.1727     
1 1 1 4  8  3  f 522.223 2.80586 502.946      7.59712   497.17       7.59357   486.445     314.159     0           0           
1 1 1 4  8  4  o 216.18  2.04643 84.1654      2.29065   87.189       2.29531   150.762     335.27      95.6778     155.27      
1 1 1 4  8  5  o 256.287 2.11207 122.021      2.80817   118.807      2.80325   185.557     74.0209     105.172     254.021     
1 1 1 4  8  6  o 260.186 2.11552 124.936      2.85484   123.267      2.85147   326.299     282.398     184.16      282.398     
1 1 1 4  8  7  o 415.492 2.6803  322.383      5.77941   310.71       5.76474   412.492     27.4986     42.3677     27.4986     
1 1 1 4  8  8  o 124.577 2.10554 28.9067      1.36148   27.9964      1.35764   95.4451     248.763     39.8778     248.763     
1 1 1 4  8  9  o 12.5075 3.05296 0.232341     0.239695  0.283334     0.241747  51.8678     197.941     105.664     197.941     
1 1 1 4  8  10 o 219.395 2.07475 88.8124      2.36099   87.6671      2.35799   182.709     16.3627     33.4924     196.363     
1 1 1 4  8  11 o 205.473 2.06202 76.238       2.19354   78.5632      2.19864   212.22      319.049     60.8543     319.049     
1 1 1 4  8  12 o 129.761 2.05832 30.3415      1.34298   31.3977      1.42585   51.1291     113.1       119.727     293.1       
1 1 1 4  8  13 o 232.423 2.25661 100.61       2.71851   97.4811      2.71846   250.312     39.6253     84.5126     39.6253     
1 1 1 4  8  14 o 231.883 2.27215 98.9973      2.72896   98.1677      2.73316   185.81      349.175     50.1057     169.175     
1 1 1 4  8  15 o 238.895 2.14278 107.352      2.65814   101.949      2.64774   197.155     205.282     40.1194     25.2818     
1 1 1 4  8  16 o 79.9925 2.27001 11.4896      0.937875  12.0163      0.940506  4.36458     307.575     121.17      307.575     
1 1 1 4  8  17 o 268.344 2.4598  130.855      3.55014   133.261      3.2852    174.393     22.5378     143.891     202.538     
1 1 1 4  8  18 o 136.631 2.21726 33.2001      1.56571   35.2831      1.57415   87.9199     280.465     53.2003     100.465     
1 1 1 4  8  19 o 98.8092 2.24137 18.2917      1.14975   17.5606      1.14304   51.7635     80.605      0.0997884   260.604     
1 1 1 4  8  20 o 118.701 2.16396 24.9869      1.36716   26.7314      1.28945   91.9924     291.264     14.2838     291.264     
1 1 1 4  8  21 o 171.186 2.24514 52.712       1.99099   54.8147      1.99296   115.122     305.696     71.5834     125.696     
1 1 1 4  8  22 o 109.919 2.24223 22.0042      1.27471   22.3685      1.2777    73.1524     114.843     31.6478     294.843     
1 1 1 4  8  23 o 97.9674 2.28845 17.5654      1.15702   17.6991      1.16405   83.2578     87.9081     24.5202     87.9081     
1 1 1 4  8  24 o 16.1561 3.98822 0.386846     0.388268  0.467677     0.433309  49.1041     331.009     106.624     331.009     
1 1 1 4  8  25 o 26.9544 3.56651 1.93656      0.479908  0.898715     0.469374  2.32241     174.814     7.95667     174.814     
1 1 1 4  8  26 o 70.5725 2.3304  8.99402      0.823445  9.33718      0.876789  59.3984     293.033     18.5327     293.033     
1 1 1 4  8  27 o 127.214 2.30157 30.3478      1.51785   29.1346      1.51467   87.4274     221.718     50.0669     41.718      
1 1 1 4  8  28 o 153.548 2.1618  43.6576      1.72361   42.9273      1.71764   133.197     333.824     5.85669     153.824     
1 1 1 4  8  29 f 53.2208 2.45257 4.6991       0.664408  5.78157      0.676881  73.8856     290.049     0           0           
1 1 1 4  8  30 o 36.2709 2.86896 2.42167      0.528846  2.47803      0.531466  3.98029     307.807     13.3078     127.807     
1 1 1 4  8  31 o 192.696 2.30197 70.1242      2.38469   66.3447      2.21423   160.783     344.962     20.9682     164.962     
1 1 1 4  8  32 o 49.1176 2.8314  4.14825      0.707533  4.80144      0.719397  31.4086     66.4691     2.42228     246.469     
1 1 1 4  8  33 o 16.3508 4.08228 0.363898     0.444355  0.491569     0.421981  10.7344     46.8653     26.4304     46.8653     
1 1 1 4  8  34 o 74.9391 2.36671 11.0028      0.917624  9.71769      0.913924  41.3384     86.3609     42.1576     266.361     
1 1 1 4  8  35 o 39.5275 2.96322 3.21245      0.60067   2.63152      0.590679  13.7002     286.097     8.95912     106.097     
1 1 1 4  8  36 o 66.6127 2.45942 9.06681      0.853821  7.37655      0.83366   31.4293     82.8312     47.8873     262.831     
1 1 1 4  8  37 o 205.676 2.44404 78.2292      2.5983    77.8892      2.61302   186.883     68.7625     15.7112     68.7625     
1 1 1 4  8  38 o 168.182 2.7276  53.0156      2.47809   51.7453      2.27544   149.201     6.8022      7.21675     6.8022      
1 1 1 4  8  39 o 84.7438 2.45792 13.0786      1.10287   13.5545      1.05001   80.4777     316.424     18.0027     316.424     
1 1 1 4  8  40 o 22.0083 4.0473  0.788734     0.475609  1.10908      0.464483  4.4373      234.909     10.5704     54.9094     
1 1 1 4  8  41 o 22.6922 4.11669 0.87844      0.491665  1.1564       0.486679  6.3726      225.117     2.66822     45.1165     
1 1 1 4  8  42 o 41.6138 3.39652 3.79972      0.719106  2.86244      0.706909  22.22       3.48086     22.8577     183.481     
1 1 1 4  8  43 o 19.05   4.4134  0.450464     0.465182  0.937405     0.556934  6.63367     194.204     4.72531     14.2043     
1 1 1 4  8  44 o 50.1218 3.15615 4.61226      0.817338  5.00734      0.803467  40.4111     19.1936     1.11664     199.194     
1 1 1 4  8  45 o 64.0465 2.83565 8.32314      0.872813  7.26151      0.984222  52.254      80.9301     1.28391     260.93      
1 1 1 4  8  46 o 34.3032 3.75113 2.10971      0.652109  2.56968      0.630925  25.687      59.9317     2.6397      239.932     
1 1 1 4  8  47 o 32.6478 3.54847 2.2116       0.582356  2.02627      0.57947   19.9566     134.381     11.4368     314.381     
1 1 1 4  8  48 o 105.264 2.64187 20.8155      1.43761   21.4551      1.44065   96.5857     132.293     20.9041     132.293     
1 1 1 4  8  49 o 17.5086 4.15723 0.0941865    0.491184  0.987958     0.49834   8.33221     321.987     0.0665114   321.987     
1 1 1 4  8  50 o 26.6988 4.10141 2.02076      0.567627  1.0386       0.550271  17.3212     105.419     5.2754      285.419     
1 1 1 4  8  51 o 19.5382 4.6668  0.873739     0.558661  0.772112     0.56506   11.1789     209.675     3.99518     29.6747     
1 1 1 4  8  52 o 31.1592 4.13894 2.09981      0.616104  2.10489      0.67088   19.4871     145.212     8.7391      325.212     
1 1 1 4  8  53 o 13.9618 4.14438 0.337927     0.504021  0.104843     0.518126  5.54348     42.3352     1.82484     222.335     
1 1 1 4  8  54 o 52.6963 3.07026 5.62983      0.824407  5.7566       0.838065  51.3321     116.243     21.2924     116.243     
1 1 1 4  8  55 o 19.0442 4.49054 -0.0802439   0.618447  1.59045      0.643072  11.4489     67.168      0.66568     67.168      
1 1 1 4  8  56 o 12.624  3.98866 0.0262686    0.536965  0.081245     0.530201  2.27795     170.16      6.50971     350.16      
1 1 1 4  8  57 o 10.6181 3.53997 -0.109288    0.502049  -0.547398    0.524431  0.131593    307.397     5.50719     127.397     
1 1 1 4  8  58 o 22.9081 4.88806 1.40272      0.626808  1.47055      0.631047  15.7001     209.535     7.06553     209.535     
1 1 1 4  8  59 o 20.3036 5.25219 1.36944      0.704314  1.1089       0.754216  11.5345     16.1497     1.28193     16.1498     
1 1 1 4  8  60 o 12.3131 3.96788 0.414412     0.59774   -0.475205    0.557782  1.58567     147.085     4.82738     327.085     
1 1 1 4  8  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  9  0  o 162.323 2.31017 48.355       1.94204   48.355       1.94204   188.821     180         134.824     180         
1 1 1 4  9  1  o 525.22  3.01497 504.064      8.20841   507.605      8.20819   506.501     252.157     19.4704     252.157     
1 1 1 4  9  2  o 164.777 1.96537 51.2827      1.68148   48.2834      1.67495   134.839     104.45      17.1717     284.45      
1 1 1 4  9  3  o 58.3129 2.31516 5.77064      0.658388  6.75578      0.73631   7.74125     304.398     40.2185     304.398     
1 1 1 4  9  4  o 384.24  2.80859 272.706      5.59901   268.718      5.58883   338.558     296.488     44.5941     116.488     
1 1 1 4  9  5  o 239.681 2.44887 107.784      3.04805   102.886      3.03598   215.809     292.428     6.67359     112.427     
1 1 1 4  9  6  f 301.706 2.59177 169.731      4.0594    164.081      4.04659   332.649     342.462     0           0           
1 1 1 4  9  7  o 321.63  2.32081 191.176      4.00895   188.128      3.72649   307.526     210.497     17.2747     210.497     
1 1 1 4  9  8  o 168.279 2.05519 50.4859      1.85349   53.3579      1.72506   184.768     209.742     117.965     209.742     
1 1 1 4  9  9  o 179.616 2.16508 59.3117      2.01625   58.9783      2.01537   158.379     162.904     2.14757     162.904     
1 1 1 4  9  10 o 152.791 1.99641 42.3156      1.57959   43.2798      1.58263   72.7824     39.0633     123.222     219.063     
1 1 1 4  9  11 o 302.059 2.36921 165.253      3.70236   169.326      3.71657   229.071     142.785     101.507     322.785     
1 1 1 4  9  12 o 126.288 2.13864 30.9228      1.40142   27.6204      1.39442   102.095     37.4617     28.2402     37.4617     
1 1 1 4  9  13 o 43.2364 2.45456 3.95279      0.544745  2.98157      0.538133  63.5009     206.291     165.85      206.291     
1 1 1 4  9  14 o 206.129 2.0931  79.7373      2.23812   76.0858      2.23398   158.17      51.1814     53.5156     231.181     
1 1 1 4  9  15 o 485.998 2.73311 434.329      6.88668   432.08       6.88387   520.578     120.347     137.537     120.347     
1 1 1 4  9  16 o 183.27  2.21701 62.235       2.10979   60.9518      2.10241   167.883     189.111     17.0899     189.111     
1 1 1 4  9  17 o 272.753 2.38225 138.2        3.36894   134.703      3.36691   235.715     112.481     25.2056     292.481     
1 1 1 4  9  18 o 140.75  2.213   34.0897      1.60384   38.6493      1.62162   62.5869     222.434     117.507     42.4338     
1 1 1 4  9  19 o 108.733 2.15636 20.7929      1.17054   22.6316      1.25833   52.1994     220.004     67.3949     40.0044     
1 1 1 4  9  20 o 201.295 2.21579 74.0993      2.3815    74.5688      2.23991   191.79      209.703     27.3421     209.703     
1 1 1 4  9  21 o 320.534 2.50405 189.375      4.16324   187.766      4.15777   289.288     238.798     7.32788     58.7982     
1 1 1 4  9  22 o 317.629 2.35758 180.832      3.87139   189.554      3.89072   334.769     294.213     90.3043     294.213     
1 1 1 4  9  23 o 12.8986 3.56946 0.303213     0.364468  0.0215297    0.342916  23.7256     272.38      50.2237     272.38      
1 1 1 4  9  24 o 249.759 2.31202 115.718      3.09242   113.323      2.89259   196.803     335.321     61.0308     155.322     
1 1 1 4  9  25 o 53.9604 2.57534 4.65964      0.703671  6.13751      0.719824  3.11709     255.477     79.0442     75.4766     
1 1 1 4  9  26 o 42.8996 2.74545 3.43365      0.609279  3.38632      0.598552  8.61676     200.873     28.7739     20.8732     
1 1 1 4  9  27 o 92.0921 2.34569 16.1989      1.12085   15.0081      1.11401   86.8579     52.119      22.2883     52.1189     
1 1 1 4  9  28 o 57.8221 2.36886 6.17986      0.704368  6.14511      0.709541  35.9212     255.345     8.85033     75.3447     
1 1 1 4  9  29 o 143.419 2.1719  36.4952      1.60635   39.0783      1.62203   97.0583     282.997     59.3834     102.997     
1 1 1 4  9  30 o 140.252 2.18815 36.3749      1.58918   35.8875      1.59235   131.607     293.595     17.5644     293.595     
1 1 1 4  9  31 o 88.3356 2.27497 15.3782      1.04417   13.3717      1.03263   76.1256     251.169     3.18542     251.169     
1 1 1 4  9  32 o 75.8248 2.51934 11.0727      0.985039  10.1339      0.988183  56.6891     66.2169     11.9015     246.217     
1 1 1 4  9  33 o 24.4753 3.98865 1.24937      0.472497  1.05397      0.520486  6.88657     25.8105     27.6098     25.8105     
1 1 1 4  9  34 o 15.9005 3.89307 0.695171     0.429344  0.0267097    0.420362  14.9619     144.68      35.8944     144.68      
1 1 1 4  9  35 o 142.683 2.25014 38.0108      1.66423   36.9532      1.66396   129.693     63.0004     12.8375     63.0004     
1 1 1 4  9  36 o 16.2594 3.95902 0.100142     0.412871  0.71868      0.448261  15.9582     79.2034     45.5011     79.2034     
1 1 1 4  9  37 o 87.83   2.66073 13.7952      1.20577   14.8071      1.21031   61.651      297.489     26.8384     117.489     
1 1 1 4  9  38 o 76.1743 2.554   11.1077      1.01428   10.4328      0.996617  65.192      115.653     2.23003     115.653     
1 1 1 4  9  39 o 67.3514 2.4686  9.66194      0.869231  7.2811       0.839094  55.7774     305.18      0.443931    125.18      
1 1 1 4  9  40 o 101.025 2.34957 19.3495      1.23471   18.5601      1.22257   109.781     128.186     49.5896     128.186     
1 1 1 4  9  41 o 52.9395 2.63706 5.6165       0.717441  4.90647      0.717795  48.9194     15.672      12.2047     15.672      
1 1 1 4  9  42 o 120.902 2.52316 28.2304      1.58454   26.4704      1.57363   120.709     40.3968     37.7034     40.3968     
1 1 1 4  9  43 o 73.9064 2.98428 10.1999      1.09032   10.5249      1.18582   75.2917     177.961     28.1931     177.961     
1 1 1 4  9  44 o 61.376  2.78574 7.67881      0.898135  6.61143      0.863401  53.504      241.672     5.8459      241.672     
1 1 1 4  9  45 o 57.7809 2.77833 7.77073      0.862242  5.05977      0.777729  37.6664     202.093     19.664      22.0929     
1 1 1 4  9  46 o 17.8197 4.2183  -0.0487268   0.538548  1.04097      0.518527  6.80955     282.469     1.39422     282.469     
1 1 1 4  9  47 o 16.0662 4.11491 0.170951     0.459495  0.680613     0.462451  1.95752     352.6       17.6364     172.6       
1 1 1 4  9  48 o 19.1616 4.56013 0.849679     0.535145  0.632835     0.543221  10.6214     208.063     2.31034     28.063      
1 1 1 4  9  49 o 21.9898 4.62388 1.25066      0.590351  0.835426     0.552699  7.5365      253.522     17.2728     73.5219     
1 1 1 4  9  50 o 12.5443 3.8426  -0.0370486   0.466386  0.104925     0.458103  2.18666     340.549     6.34832     160.549     
1 1 1 4  9  51 o 15.7034 4.28903 0.706836     0.537935  0.0875798    0.49461   7.22881     255.559     3.37015     75.559      
1 1 1 4  9  52 f 10.9444 3.60231 -0.543956    0.501132  -0.11536     0.503843  16.9464     240.279     0           0           
1 1 1 4  9  53 o 17.2291 4.23303 1.15293      0.551064  -0.0423497   0.516574  7.05741     136.49      9.03945     316.49      
1 1 1 4  9  54 o 14.3941 4.28509 -0.297295    0.583792  0.646371     0.586715  3.18373     113.216     0.690122    293.216     
1 1 1 4  9  55 o 18.9793 4.39191 1.36652      0.559321  0.294997     0.56082   10.8648     52.2048     4.15891     52.2048     
1 1 1 4  9  56 f 19.2688 4.80827 0.98809      0.610524  0.956294     0.585716  19.2255     30.2266     0           0           
1 1 1 4  9  57 o 14.4496 4.0689  0.949276     0.55975   -0.480463    0.512332  3.94035     309.033     5.95578     129.033     
1 1 1 4  9  58 o 16.522  4.58477 0.373653     0.586243  0.940884     0.595952  5.67157     86.1661     4.98162     266.166     
1 1 1 4  9  59 o 12.3597 4.08497 -0.499002    0.626734  0.212244     0.681192  0.941232    146.276     2.60203     326.276     
1 1 1 4  9  60 o 18.6111 4.7914  1.44425      0.653213  0.545615     0.614667  9.6098      242.007     3.4766      242.007     
1 1 1 4  9  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  10 0  o 503.714 2.94193 465.23       7.68034   465.23       7.68034   493.676     4.4132e-06  31.3073     4.4132e-06  
1 1 1 4  10 1  o 225.997 2.21363 92.3755      2.59037   94.9004      2.59578   221.724     123.942     36.2702     123.942     
1 1 1 4  10 2  o 248.821 2.18886 113.082      2.9234    113.921      2.71842   288.521     25.1821     130.445     25.1821     
1 1 1 4  10 3  o 436.09  2.97339 347.986      6.72136   349.487      6.72137   377.536     36.5053     63.1849     216.505     
1 1 1 4  10 4  o 291.79  2.56337 152.319      3.87018   159.941      3.88268   246.771     336.641     46.1506     156.641     
1 1 1 4  10 5  o 54.0956 2.53926 4.32017      0.688986  6.57743      0.705529  7.91463     137.185     31.4489     137.185     
1 1 1 4  10 6  o 262.295 2.50457 124.606      3.40085   127.687      3.40943   228.285     220.826     24.3698     40.8265     
1 1 1 4  10 7  o 126.936 2.34411 29.3796      1.53875   29.7442      1.54338   102.135     229.262     19.055      229.262     
1 1 1 4  10 8  o 369.311 2.45065 251.044      4.85825   249.107      4.51975   391.679     164.953     98.7704     164.953     
1 1 1 4  10 9  o 210.492 2.13612 78.6079      2.40474   83.8948      2.24707   228.225     202.871     87.8562     202.871     
1 1 1 4  10 10 o 138.746 2.32463 36.2057      1.66984   34.3977      1.67303   81.5778     181.632     71.7601     1.63209     
1 1 1 4  10 11 o 114.796 2.13199 24.8212      1.26612   23.5422      1.26825   73.1792     10.3086     25.3217     190.309     
1 1 1 4  10 12 o 331.157 2.46173 205.436      4.22426   196.807      4.22577   236.757     353.967     139.051     173.967     
1 1 1 4  10 13 o 129.215 2.03165 30.2383      1.35941   30.9895      1.36205   96.1743     50.034      12.7428     230.034     
1 1 1 4  10 14 o 273.259 2.20289 138.456      3.12267   135.407      3.11774   188.212     151.565     123.846     331.565     
1 1 1 4  10 15 o 329.988 2.48636 196.829      4.25035   202.655      4.25498   377.658     217.458     154.318     217.458     
1 1 1 4  10 16 o 321.874 2.47298 189.172      4.12622   190.925      4.12585   367.571     204.255     150.705     204.255     
1 1 1 4  10 17 o 116.074 2.20226 25.5013      1.32742   23.9713      1.31958   24.0682     335.776     146.925     155.776     
1 1 1 4  10 18 o 165.108 2.22393 51.2927      1.90752   48.7396      1.89848   190.253     253.387     128.251     253.387     
1 1 1 4  10 19 f 376.588 2.55713 256.36       4.81998   264.237      5.16193   376.61      185.131     0           0           
1 1 1 4  10 20 o 87.1309 2.26165 14.9688      1.02544   12.9667      1.01101   37.7328     282.007     62.9593     102.007     
1 1 1 4  10 21 o 169.807 2.17585 52.8365      1.85776   52.9906      1.97113   163.051     325.266     24.9007     325.265     
1 1 1 4  10 22 o 149.118 2.17958 40.4832      1.62574   41.1388      1.74258   134.315     230.172     3.18747     230.172     
1 1 1 4  10 23 o 130.069 2.25748 30.6526      1.51962   31.4643      1.52433   74.6833     31.0816     82.4327     211.082     
1 1 1 4  10 24 o 95.6485 2.15374 16.2641      1.06235   17.3682      1.06994   36.3292     306.291     94.2194     126.291     
1 1 1 4  10 25 o 58.6844 2.42561 6.45003      0.702739  6.24541      0.764001  31.5558     167.268     22.9921     347.268     
1 1 1 4  10 26 o 166.185 2.51186 52.1803      2.16783   49.3292      2.15874   176.247     127.634     59.239      127.634     
1 1 1 4  10 27 o 103.307 2.32403 19.1192      1.23823   20.1354      1.24724   93.7016     230.144     11.9484     230.144     
1 1 1 4  10 28 f 96.0257 2.19722 16.0971      1.08502   17.831       1.09791   88.5613     345.578     0           0           
1 1 1 4  10 29 o 121.452 2.18691 25.6197      1.36675   28.6281      1.38316   122.264     180.367     34.8444     180.367     
1 1 1 4  10 30 o 156.011 2.19469 45.3438      1.77735   44.0934      1.77215   142.96      101.604     11.7835     101.604     
1 1 1 4  10 31 o 140.315 2.20596 37.6898      1.60884   34.706       1.59847   109.274     80.1787     26.6082     260.179     
1 1 1 4  10 32 o 20.625  4.17777 0.847762     0.489542  0.766762     0.449653  11.8959     317.817     34.6202     317.817     
1 1 1 4  10 33 o 37.3762 3.25776 2.61519      0.619396  2.62201      0.616241  7.16637     174.268     29.0076     354.268     
1 1 1 4  10 34 o 11.3754 3.49176 -0.204057    0.385497  0.0496437    0.38816   17.3406     131.238     38.533      131.238     
1 1 1 4  10 35 o 96.8028 2.28714 17.7537      1.15001   16.829       1.14166   70.4567     83.9044     24.3949     263.904     
1 1 1 4  10 36 o 79.1228 2.48155 11.7725      1.00921   11.4039      1.02086   50.735      300.243     33.3071     120.243     
1 1 1 4  10 37 o 28.8291 3.73707 1.63229      0.545091  1.57137      0.530721  0.0679431   146.95      43.5851     326.949     
1 1 1 4  10 38 f 40.3004 2.88459 3.22087      0.59802   2.88538      0.589426  27.3097     357.879     0           0           
1 1 1 4  10 39 o 35.5475 3.07512 2.54474      0.557368  2.2506       0.550712  19.3665     157.682     15.7302     337.682     
1 1 1 4  10 40 o 74.7929 2.43166 11.4001      0.944208  9.49695      0.931192  62.5521     167.999     0.206627    167.999     
1 1 1 4  10 41 o 21.975  4.0019  0.708247     0.466389  1.21622      0.468511  5.48737     138.599     19.7549     318.599     
1 1 1 4  10 42 o 51.6384 3.08746 4.70605      0.813109  5.46933      0.820721  43.359      277.909     2.41323     277.909     
1 1 1 4  10 43 f 44.1563 3.45794 4.02107      0.743342  3.53078      0.802845  23.4545     347.282     0           0           
1 1 1 4  10 44 o 52.3035 2.75692 4.87723      0.730651  5.52264      0.752372  57.7931     117.826     31.4319     117.826     
1 1 1 4  10 45 f 37.2711 3.22774 2.74984      0.6116    2.6568       0.609439  31.1935     48.9657     0           0           
1 1 1 4  10 46 o 12.3844 3.83768 -0.00171459  0.483149  -0.079435    0.458762  2.12753     92.3137     18.4517     92.3137     
1 1 1 4  10 47 o 28.0482 4.13359 1.34654      0.599339  1.92807      0.563783  16.845      358.6       8.95622     178.6       
1 1 1 4  10 48 o 40.9788 3.44102 3.42714      0.710907  3.26581      0.721533  37.4998     194.961     11.1781     194.961     
1 1 1 4  10 49 f 46.1596 3.11968 4.2226       0.752464  4.20032      0.721931  41.4027     7.26146     0           0           
1 1 1 4  10 50 o 40.8294 3.31428 3.1184       0.684304  3.61869      0.68939   36.6932     27.0529     10.021      27.0529     
1 1 1 4  10 51 o 13.7729 4.01977 0.50836      0.511877  -0.163254    0.464395  1.11239     346.933     0.00659714  166.934     
1 1 1 4  10 52 o 22.4877 4.6568  1.89182      0.669106  0.48743      0.619185  18.7831     201.948     8.68192     201.948     
1 1 1 4  10 53 o 18.8316 4.64497 0.975502     0.564658  0.68518      0.559871  10.9026     7.27634     1.98753     187.276     
1 1 1 4  10 54 f 15.8467 4.55592 0.447737     0.591041  0.532614     0.583142  9.9626      280.235     0           0           
1 1 1 4  10 55 f 9.36954 3.21672 -0.458492    0.47295   -0.814275    0.51718   8.85637     303.047     0           0           
1 1 1 4  10 56 o 14.6943 4.2395  0.855542     0.572956  -0.287254    0.566284  4.81356     7.88024     4.56259     187.88      
1 1 1 4  10 57 o 13.5556 4.17213 -0.0508861   0.562169  0.467917     0.56161   2.16563     243.481     5.03935     63.4811     
1 1 1 4  10 58 o 13.4434 4.2661  0.0713393    0.583771  0.271046     0.649043  1.22997     325.384     10.546      145.384     
1 1 1 4  10 59 o 20.9066 5.52467 1.48328      0.739975  1.46932      0.892618  13.0216     21.7187     2.33574     21.7187     
1 1 1 4  10 60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  11 0  o 197.011 2.20829 71.1989      2.25388   71.1989      2.25388   98.8844     180         174.132     9.51699e-06 
1 1 1 4  11 1  o 463.62  2.82013 394.647      6.78134   393.679      6.77342   543.067     58.3554     223.253     58.3554     
1 1 1 4  11 2  o 105.963 2.09917 20.2452      1.19449   20.9592      1.10569   0.102302    205.487     176.479     205.487     
1 1 1 4  11 3  o 197.533 2.38283 70.9288      2.43996   72.1565      2.4396    214.914     62.6252     89.8088     62.6252     
1 1 1 4  11 4  o 297.858 2.58993 162.827      4.00029   162.536      3.99728   186.728     173.604     177.464     353.604     
1 1 1 4  11 5  o 417.668 2.93069 325.134      6.35181   314.767      6.33718   428.832     157.016     81.7402     157.016     
1 1 1 4  11 6  o 233.959 2.46496 101.013      2.99057   99.7226      2.98811   207.421     80.6712     7.51813     260.671     
1 1 1 4  11 7  o 255.84  2.51107 120.768      3.33093   119.28       3.32919   271.692     318.956     82.5569     318.956     
1 1 1 4  11 8  o 320.748 2.6731  188.657      4.44108   188.683      4.44768   276.118     180.456     38.6115     0.456452    
1 1 1 4  11 9  o 730.283 4.26598 977.706      15.352    980.611      16.9101   686.6       146.807     7.45972     146.807     
1 1 1 4  11 10 o 194.111 2.26873 70.0395      2.37666   68.15        2.18722   174.691     244.971     8.22478     244.971     
1 1 1 4  11 11 o 216.145 2.24418 85.2016      2.51304   86.1425      2.51573   140.877     48.8931     108.185     228.893     
1 1 1 4  11 12 o 54.2969 2.22626 5.27843      0.620389  5.57285      0.627219  13.9395     222.521     58.5036     222.521     
1 1 1 4  11 13 o 331.615 2.31722 205.476      3.98606   197.941      3.97941   323.714     0.38066     40.9187     0.38066     
1 1 1 4  11 14 o 267.433 2.18309 130.364      3.02251   131.984      3.03013   183.998     187.414     118.827     7.41417     
1 1 1 4  11 15 o 150.847 2.18558 41.3952      1.70666   42.0808      1.71124   133.857     110.609     18.0385     110.609     
1 1 1 4  11 16 o 290.295 2.39953 155.503      3.6155    153.731      3.60595   303.396     333.577     81.4763     333.577     
1 1 1 4  11 17 o 97.5392 2.24537 17.2906      1.13041   17.6575      1.13706   15.3413     284.982     131.41      104.982     
1 1 1 4  11 18 o 204.149 2.27116 74.866       2.4005    78.1047      2.4056    161.678     111.962     43.2613     291.962     
1 1 1 4  11 19 o 155.927 2.21539 43.7216      1.78548   45.522       1.79539   164.497     31.4974     58.2415     31.4974     
1 1 1 4  11 20 o 60.9499 2.35833 6.94889      0.74445   6.7312       0.739966  28.4326     9.04641     29.2636     189.046     
1 1 1 4  11 21 o 104.279 2.11755 19.8649      1.14211   20.0822      1.14474   107.731     61.765      40.3056     61.765      
1 1 1 4  11 22 o 119.303 2.26622 26.6109      1.39857   25.6934      1.40146   110.226     265.535     13.0399     265.535     
1 1 1 4  11 23 o 278.517 2.43476 139.906      3.5052    145.074      3.52447   265.839     80.1247     28.1228     80.1247     
1 1 1 4  11 24 f 98.3343 2.14704 18.1031      1.0928    17.4414      1.09308   63.263      313.606     0           0           
1 1 1 4  11 25 o 181.488 2.15225 59.4143      2.01834   61.5571      2.03088   167.853     27.1404     13.1763     27.1404     
1 1 1 4  11 26 o 197.091 2.53669 68.8462      2.57852   73.977       2.60295   193.891     203         37.562      203         
1 1 1 4  11 27 f 120.771 2.43203 26.1462      1.57853   27.5092      1.45703   159.721     13.4377     0           0           
1 1 1 4  11 28 o 38.1684 2.77124 2.95356      0.54745   2.47243      0.531179  10.3168     142.744     18.0692     322.744     
1 1 1 4  11 29 o 115.4   2.20458 24.1112      1.31367   24.8623      1.32129   94.7291     29.3487     10.4304     209.349     
1 1 1 4  11 30 o 107.921 2.23129 21.0327      1.24276   21.82        1.25083   81.4601     118.054     22.7106     298.054     
1 1 1 4  11 31 o 58.3072 2.47819 5.777        0.737368  6.79884      0.750866  18.1315     237.018     57.881      57.0182     
1 1 1 4  11 32 o 18.7922 4.02139 0.74277      0.42989   0.574022     0.423882  30.2382     166.902     76.9794     166.902     
1 1 1 4  11 33 f 62.8276 2.66788 7.66403      0.864941  6.95573      0.863214  84.0712     53.8858     0           0           
1 1 1 4  11 34 o 12.1833 3.62724 -0.191982    0.379865  0.197692     0.419557  7.98243     42.1674     19.1219     42.1674     
1 1 1 4  11 35 o 10.8418 3.35429 -0.425127    0.377022  0.106792     0.376994  5.46045     351.778     13.6666     351.778     
1 1 1 4  11 36 o 87.2679 2.50862 14.2934      1.19842   13.9344      1.06385   68.0773     226.792     11.9889     46.7918     
1 1 1 4  11 37 o 213.48  2.46439 85.6653      2.73384   83.2116      2.72005   200.823     301.865     34.7839     301.865     
1 1 1 4  11 38 o 23.7805 3.78516 0.80005      0.457821  1.43515      0.46383   5.87039     16.6393     17.7562     196.639     
1 1 1 4  11 39 f 41.6945 2.8392  3.07862      0.600851  3.48335      0.609717  40.5157     285.303     0           0           
1 1 1 4  11 40 o 53.7994 2.61027 5.60265      0.727602  5.26731      0.719129  55.0796     141.258     23.5005     141.258     
1 1 1 4  11 41 o 47.0436 2.90479 3.98129      0.693679  4.42599      0.707833  38.0627     43.2569     0.122052    223.259     
1 1 1 4  11 42 o 27.7707 4.40313 1.49635      0.609481  1.63898      0.627146  13.7894     4.82674     15.1987     184.827     
1 1 1 4  11 43 o 15.3429 3.85984 0.782309     0.455887  -0.297037    0.460394  4.8435      339.298     5.40417     159.298     
1 1 1 4  11 44 o 49.8028 2.81486 4.36062      0.708095  5.12459      0.730915  40.8202     5.01942     0.962056    5.01943     
1 1 1 4  11 45 o 59.1869 2.66305 6.65582      0.811833  6.70203      0.813741  44.6479     209.685     6.94297     29.6854     
1 1 1 4  11 46 o 67.1512 2.69154 8.37364      0.894427  8.88156      0.971646  67.0619     199.936     25.7301     199.936     
1 1 1 4  11 47 f 11.1292 3.55798 0.0703893    0.462538  -0.597795    0.451551  11.2101     288.625     0           0           
1 1 1 4  11 48 o 13.2933 3.84376 -0.6104      0.467002  0.558673     0.498277  2.8256      70.9269     5.01222     250.927     
1 1 1 4  11 49 o 16.8308 4.33529 0.805023     0.522653  0.239386     0.497793  5.69377     240.899     11.1269     60.8985     
1 1 1 4  11 50 o 41.8828 3.32159 2.68489      0.674346  4.54605      0.698397  43.7999     334.356     23.4863     334.356     
1 1 1 4  11 51 o 16.9892 4.37183 0.774785     0.507028  0.415299     0.509705  7.07903     294.192     3.20928     294.192     
1 1 1 4  11 52 o 13.9446 4.13838 -0.0993399   0.520888  0.486025     0.528108  4.73595     75.7034     3.49096     255.703     
1 1 1 4  11 53 o 19.7369 5.06383 0.897987     0.617443  1.07509      0.718871  12.2039     126.888     2.6533      126.888     
1 1 1 4  11 54 o 16.4121 4.00799 -0.479494    0.517006  1.26955      0.552047  4.89024     52.2195     11.345      232.219     
1 1 1 4  11 55 o 8.52313 4.20455 -1.61413     0.401627  -0.804561    0.472479  1.17967     167.581     4.93665     167.581     
1 1 1 4  11 56 o 21.6371 4.93617 1.57061      0.630726  1.00096      0.677256  10.0271     350.632     8.89323     170.632     
1 1 1 4  11 57 o 14.8563 4.40668 0.469934     0.572854  0.414308     0.572206  2.72038     280.891     9.93318     100.891     
1 1 1 4  11 58 o 12.1974 4.03182 0.279814     0.68107   -0.595503    0.590491  1.13419     232.635     5.12644     52.6347     
1 1 1 4  11 59 o 14.3268 4.44081 0.198445     0.65501   0.521722     0.621564  4.43803     304.062     2.79435     124.062     
1 1 1 4  12 0  o 72.1329 2.01273 9.58204      0.749908  9.58204      0.749908  7.04611     180         32.7147     360         
1 1 1 4  12 1  o 279.994 2.33858 144.403      3.3965    143.103      3.39178   298.532     242.824     89.8876     242.824     
1 1 1 4  12 2  o 309.735 2.34556 174.439      3.89459   177.396      3.63009   333.846     337.785     102.981     337.785     
1 1 1 4  12 3  o 46.1673 2.65378 4.06498      0.628554  3.80666      0.630032  52.7958     6.64028     147.247     6.64028     
1 1 1 4  12 4  o 228.31  2.45325 97.6054      2.90767   93.5942      2.89824   247.881     162.306     92.2726     162.306     
1 1 1 4  12 5  o 342.842 2.70983 212.901      4.80979   218.286      4.82135   262.814     129.194     106.65      309.194     
1 1 1 4  12 6  o 468.518 3.1     397.709      7.52027   407.777      7.53639   474.551     122.167     81.317      122.167     
1 1 1 4  12 7  o 22.7151 3.94479 1.20257      0.448051  0.762229     0.486697  56.915      128.648     121.761     128.648     
1 1 1 4  12 8  o 68.6976 2.7488  8.22748      0.963058  9.15508      0.985567  6.18704     286.497     87.5025     286.497     
1 1 1 4  12 9  o 310.209 2.89841 177.7        4.65261   175.423      4.66839   298.624     279.041     31.6549     279.041     
1 1 1 4  12 10 o 477.311 3.02929 413.122      7.17235   423.093      7.81087   473.912     347.621     66.6395     347.621     
1 1 1 4  12 11 o 137.022 2.20268 34.8579      1.56469   34.0147      1.56411   127.054     123.218     52.8732     123.218     
1 1 1 4  12 12 o 119.898 2.09979 26.3012      1.25079   26.4474      1.3562    93.0747     102.765     37.258      102.765     
1 1 1 4  12 13 o 318.779 2.28211 191.724      3.77742   181.188      3.76274   299.027     164.897     17.5288     164.897     
1 1 1 4  12 14 o 237.245 2.21284 102.461      2.80626   104.057      2.63209   165.493     312.299     97.9261     132.299     
1 1 1 4  12 15 o 466.505 2.862   393.412      6.9137    405.804      6.92685   471.242     232.783     86.2033     232.783     
1 1 1 4  12 16 o 141.737 2.21169 37.2741      1.62777   36.4532      1.62203   104.482     276.425     37.7784     96.4249     
1 1 1 4  12 17 o 97.9502 2.24337 16.4402      1.13019   18.8523      1.14156   59.8814     346.888     43.6501     166.888     
1 1 1 4  12 18 f 236.387 2.51003 97.9621      3.07569   107.338      3.07049   192.875     228.243     0           0           
1 1 1 4  12 19 o 131.911 2.20713 31.2132      1.50647   32.6723      1.51141   104.582     276.788     24.4068     96.7877     
1 1 1 4  12 20 o 112.504 2.10026 22.9694      1.2218    23.5272      1.22561   97.5647     330.047     0.261643    330.048     
1 1 1 4  12 21 o 47.8074 2.46667 3.73825      0.581518  4.73154      0.630871  5.78213     221.385     84.4473     221.385     
1 1 1 4  12 22 o 184.841 2.28832 64.3118      2.19512   61.1937      2.18909   171.16      282.721     12.621      282.721     
1 1 1 4  12 23 o 181.272 2.14351 60.2405      2.01261   60.4265      2.01565   176.344     66.2366     30.9105     66.2366     
1 1 1 4  12 24 o 119.627 2.13521 26.0944      1.31996   26.494       1.32598   105.612     333.36      4.30435     333.36      
1 1 1 4  12 25 o 152.351 2.15223 42.5998      1.69578   42.6485      1.70354   105.924     335.37      57.3848     155.37      
1 1 1 4  12 26 o 21.2347 4.11806 0.836095     0.43139   0.8809       0.502837  27.4076     273.936     73.989      273.936     
1 1 1 4  12 27 o 151.106 2.53763 43.3976      1.99054   40.5804      1.98332   170.384     164.112     77.79       164.112     
1 1 1 4  12 28 o 78.2845 2.27902 11.5014      0.924101  11.064       0.921356  57.429      224.906     15.4377     44.9057     
1 1 1 4  12 29 f 139.348 2.20552 35.8565      1.59312   35.5221      1.59306   122.677     178.697     0           0           
1 1 1 4  12 30 o 60.2365 2.44307 6.5764       0.759398  6.8208       0.759663  20.5032     275.507     56.4589     95.5069     
1 1 1 4  12 31 o 204.141 2.24439 75.6832      2.37026   77.6699      2.37952   209.452     3.48427     63.668      3.48427     
1 1 1 4  12 32 o 105.355 2.24894 20.3479      1.22569   20.5614      1.22786   63.2611     305.116     53.9627     125.116     
1 1 1 4  12 33 o 70.2912 2.48118 8.9239       0.929829  9.3547       0.869578  68.797      315.366     23.2584     315.366     
1 1 1 4  12 34 o 42.298  3.26217 3.4221       0.694098  3.30313      0.712459  35.0898     25.8141     6.67753     25.8141     
1 1 1 4  12 35 o 59.0739 2.61177 6.96637      0.797694  6.02462      0.790909  53.2732     359.277     10.2049     359.277     
1 1 1 4  12 36 o 24.7748 3.96224 0.922456     0.501406  1.49209      0.500766  7.91612     295.466     12.0972     115.466     
1 1 1 4  12 37 o 66.6632 2.45194 8.78781      0.847156  7.76537      0.839468  59.4613     97.2984     8.96356     97.2984     
1 1 1 4  12 38 o 20.4263 3.99894 0.848828     0.437558  0.790453     0.438513  4.72834     91.3085     10.4935     271.308     
1 1 1 4  12 39 o 73.8853 2.41845 9.84732      0.917359  10.5482      0.929634  63.7193     49.8888     4.48223     49.8887     
1 1 1 4  12 40 o 59.4507 2.55807 6.37755      0.778727  6.91282      0.789828  47.2065     292.221     3.58114     112.221     
1 1 1 4  12 41 f 43.1001 3.12925 2.79479      0.668105  4.41273      0.67844   28.4751     333.318     0           0           
1 1 1 4  12 42 o 28.9813 4.46395 1.46742      0.686768  1.96449      0.618808  21.6757     89.4029     0.685775    269.403     
1 1 1 4  12 43 o 51.8455 2.85933 5.55825      0.739526  4.72115      0.77648   43.812      75.7868     3.55768     75.7868     
1 1 1 4  12 44 o 22.3918 4.1964  0.954465     0.489767  1.1188       0.50147   10.9928     132.458     10.6969     312.458     
1 1 1 4  12 45 o 54.0595 2.7526  5.94952      0.764774  5.27042      0.765049  51.1837     154.176     15.816      154.176     
1 1 1 4  12 46 o 12.5735 3.7301  0.343599     0.443821  -0.30996     0.42917   1.34104     167.373     5.00947     347.373     
1 1 1 4  12 47 o 34.6648 3.86132 2.48812      0.675868  2.43712      0.665949  27.7931     238.094     2.39303     238.094     
1 1 1 4  12 48 o 20.5953 4.20068 0.233724     0.524732  1.52007      0.557575  14.0035     209.909     7.06922     209.909     
1 1 1 4  12 49 o 26.2156 4.46222 1.70724      0.598278  1.35128      0.604573  18.0187     330         2.65757     150         
1 1 1 4  12 50 o 12.1217 3.74269 -0.294973    0.460855  0.244406     0.461008  2.808       124.232     4.93564     304.232     
1 1 1 4  12 51 o 13.3141 3.98255 0.0449306    0.475372  0.304528     0.480857  3.17147     17.9462     8.68139     197.946     
1 1 1 4  12 52 o 28.6904 4.89768 2.13266      0.709284  1.90839      0.733177  20.1221     91.6071     1.41593     271.607     
1 1 1 4  12 53 o 15.7268 4.64386 0.0639875    0.69814   0.711575     0.623697  5.9823      98.9516     5.06224     278.952     
1 1 1 4  12 54 o 28.836  4.39335 2.49002      0.641279  1.57181      0.642728  20.9688     107.245     0.494573    107.245     
1 1 1 4  12 55 o 29.561  4.56573 2.06838      0.686344  2.31482      0.674358  25.2489     37.0508     9.89689     37.0508     
1 1 1 4  12 56 o 14.354  4.10895 0.909687     0.56138   -0.486563    0.545186  2.81094     324.257     3.98932     144.257     
1 1 1 4  12 57 o 15.1891 4.45952 0.242234     0.594848  0.723195     0.587661  4.5225      149.99      3.6293      329.99      
1 1 1 4  12 58 o 13.1385 4.18519 0.225316     0.608217  0.121342     0.593048  2.56358     342.328     3.30327     162.328     
1 1 1 4  12 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  13 0  o 73.3378 2.0509  9.90594      0.776883  9.90594      0.776883  8.93616     180         22.5768     9.08656e-06 
1 1 1 4  13 1  o 220.465 2.23686 89.9187      2.55755   88.3613      2.55489   158.659     116.844     78.5187     296.844     
1 1 1 4  13 2  o 225.683 2.17392 92.5483      2.63073   94.2647      2.45055   223.87      340.947     47.6027     340.947     
1 1 1 4  13 3  o 260.919 2.51582 129.421      3.40982   120.418      3.39275   316.723     229.052     172.281     229.052     
1 1 1 4  13 4  o 112.689 2.35428 22.7653      1.37003   23.865       1.37696   79.471      227.024     6.35785     227.024     
1 1 1 4  13 5  o 271.062 2.66404 134.838      3.57329   134.76       3.90555   298.196     13.336      110.775     13.336      
1 1 1 4  13 6  o 37.5741 3.17018 2.78467      0.602167  2.4763       0.606072  61.535      317.553     152.111     317.553     
1 1 1 4  13 7  o 324.922 2.94211 189.678      4.93914   197.883      4.9704    382.736     36.6143     178.661     36.6143     
1 1 1 4  13 8  f 260.179 2.77272 125.987      3.73743   122.476      3.74089   232.059     291.716     0           0           
1 1 1 4  13 9  o 375.004 2.83046 260.404      5.50353   255.818      5.50023   349.745     105.001     13.4197     105.001     
1 1 1 4  13 10 o 285.377 2.60615 147.45       3.84739   151.471      3.86272   275.554     138.201     34.7226     138.201     
1 1 1 4  13 11 o 194.483 2.15515 67.3082      2.24605   71.496       2.09023   180.87      324.867     18.7499     324.867     
1 1 1 4  13 12 o 88.8819 2.2701  15.3651      1.0447    13.6872      1.04118   36.4942     228.395     14.3692     228.395     
1 1 1 4  13 13 o 277.212 2.29932 139.607      3.17696   142.438      3.42854   285.72      343.118     70.0305     343.118     
1 1 1 4  13 14 o 278.211 2.36423 142.66       3.41167   141.464      3.40738   321.79      348.002     141.391     348.002     
1 1 1 4  13 15 o 29.7927 2.91124 1.45895      0.429275  1.87717      0.441219  34.64       253.634     97.1886     253.634     
1 1 1 4  13 16 o 188.62  2.3301  67.5444      2.36386   63.1112      2.19317   203.286     246.757     68.9622     246.757     
1 1 1 4  13 17 f 63.0584 2.48844 7.76138      0.811577  6.90016      0.80682   71.6838     69.6365     0           0           
1 1 1 4  13 18 o 107.673 2.30302 22.2678      1.23665   20.3642      1.32377   107.694     14.8085     33.0419     14.8085     
1 1 1 4  13 19 o 220.153 2.167   88.3653      2.47124   89.5928      2.47458   204.389     285.322     13.2182     285.322     
1 1 1 4  13 20 o 227.448 2.18257 95.3491      2.57501   94.6185      2.57146   222.915     31.6651     38.1549     31.6651     
1 1 1 4  13 21 o 100.73  2.27462 19.6992      1.1908    17.6354      1.17935   79.2795     62.1259     12.9725     242.126     
1 1 1 4  13 22 o 40.6474 2.68935 2.77529      0.552226  3.36608      0.564548  6.23478     250.096     10.2293     70.0957     
1 1 1 4  13 23 o 143.267 2.124   37.5789      1.57537   37.8018      1.57937   124.938     105.583     1.26398     285.584     
1 1 1 4  13 24 o 330.77  2.49325 199.016      4.42089   203.135      4.12004   332.301     22.1206     73.8304     22.1206     
1 1 1 4  13 25 o 96.7648 2.1888  17.4676      1.0966    16.9674      1.09617   55.4977     75.9817     55.7623     255.982     
1 1 1 4  13 26 o 178.357 2.33122 58.0709      2.15116   58.8536      2.15938   141.957     154.809     30.4021     334.809     
1 1 1 4  13 27 o 175.321 2.56227 56.1355      2.32309   56.946       2.33402   126.041     152.022     55.8814     332.022     
1 1 1 4  13 28 o 146.776 2.27501 39.339       1.79352   39.8768      1.66489   105.793     194.655     43.8712     14.6551     
1 1 1 4  13 29 o 87.2155 2.27755 14.1862      1.02683   13.8362      1.02879   75.9693     122.691     8.32181     122.691     
1 1 1 4  13 30 f 163.75  2.21219 50.8344      1.87789   47.8645      1.87634   117.814     74.4166     0           0           
1 1 1 4  13 31 o 19.3405 3.958   0.840836     0.423064  0.574738     0.424299  11.8837     263.143     38.3666     263.143     
1 1 1 4  13 32 o 42.1894 2.76111 2.80471      0.581616  3.87463      0.602066  30.4445     202.235     0.702481    22.2355     
1 1 1 4  13 33 o 44.1716 2.79538 3.33522      0.61127   3.96202      0.654593  29.3761     230.734     11.2718     50.734      
1 1 1 4  13 34 o 40.9529 3.33321 3.72346      0.690334  2.65473      0.681414  18.8258     223.343     27.5089     43.343      
1 1 1 4  13 35 o 24.5389 3.97446 1.5466       0.485638  0.821387     0.521158  6.17975     25.7784     17.7447     205.778     
1 1 1 4  13 36 o 19.3146 4.09844 0.629999     0.441326  0.803934     0.44798   0.647711    297.757     21.752      297.757     
1 1 1 4  13 37 o 31.9823 3.26141 1.63248      0.507744  2.3181       0.532917  23.1718     297.924     0.94385     297.924     
1 1 1 4  13 38 o 29.6864 3.4061  1.78948      0.49943   1.6277       0.511499  21.71       77.3014     0.961327    77.3014     
1 1 1 4  13 39 o 56.0535 2.57243 6.17778      0.744559  5.64735      0.741149  59.4557     300.334     28.2992     300.334     
1 1 1 4  13 40 o 28.3557 3.69842 2.19497      0.527929  1.06525      0.506762  16.9519     84.2349     9.53055     264.235     
1 1 1 4  13 41 f 45.5324 2.98025 3.99316      0.675438  3.93077      0.714273  31.5646     50.4649     0           0           
1 1 1 4  13 42 o 40.7035 3.40466 3.39785      0.703044  3.06242      0.703781  31.6629     71.3089     1.64113     251.309     
1 1 1 4  13 43 o 26.5259 4.01548 0.953049     0.516235  1.98553      0.569555  20.4198     232.869     2.08667     232.869     
1 1 1 4  13 44 o 48.397  2.84115 4.65727      0.706668  4.36294      0.705365  37.6142     34.0133     2.21463     214.013     
1 1 1 4  13 45 o 39.9389 3.13948 2.96906      0.634423  3.29288      0.642251  34.9211     90.7596     7.58649     90.7596     
1 1 1 4  13 46 o 23.7201 4.3019  1.12546      0.524745  1.27206      0.53901   1.23235     5.15025     33.6906     185.15      
1 1 1 4  13 47 o 23.5743 4.50327 1.25859      0.545129  1.17486      0.583093  14.9047     26.0321     4.1433      206.032     
1 1 1 4  13 48 o 28.3147 4.40021 1.24836      0.645788  2.32145      0.62966   22.9546     54.2966     4.21813     54.2966     
1 1 1 4  13 49 o 22.2964 4.80255 1.08814      0.563916  1.23496      0.646393  14.2114     121.536     3.18639     301.536     
1 1 1 4  13 50 o 18.1449 4.38323 1.30909      0.604942  0.0445792    0.516834  10.2728     187.759     2.99893     7.75921     
1 1 1 4  13 51 o 18.9145 4.64267 1.08398      0.584149  0.599481     0.550318  10.093      10.2309     4.29454     10.2309     
1 1 1 4  13 52 o 14.0006 4.25605 0.332446     0.570457  0.133879     0.545566  2.59412     203.281     1.10054     23.281      
1 1 1 4  13 53 o 15.6498 4.35138 -0.0570484   0.538733  0.943502     0.586091  5.38043     344.182     0.368875    344.182     
1 1 1 4  13 54 o 17.6891 4.70759 0.657816     0.626981  0.920498     0.566772  8.74402     47.6458     0.839046    47.6459     
1 1 1 4  13 55 o 16.2521 4.50321 0.934426     0.58531   0.277387     0.564652  4.99319     108.797     1.21163     288.797     
1 1 1 4  13 56 o 35.8958 4.23377 4.05074      0.758301  2.27817      0.724025  32.8691     88.2557     15.6279     88.2557     
1 1 1 4  13 57 f 22.4115 5.07518 2.09923      0.729728  0.93516      0.707234  14.0852     297.512     0           0           
1 1 1 4  13 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  14 0  o 66.1036 2.08858 8.05938      0.712397  8.05938      0.712397  5.61466     180         20.8347     8.08609e-06 
1 1 1 4  14 1  o 127.458 2.15016 29.6388      1.42053   29.96        1.42062   89.4539     63.2613     30.0925     243.261     
1 1 1 4  14 2  o 267.308 2.25297 133.422      3.23639   128.757      3.00623   272.81      157.559     65.363      157.559     
1 1 1 4  14 3  o 64.9109 2.54221 7.43535      0.8454    8.08186      0.858005  5.80147     203.685     30.6594     23.6851     
1 1 1 4  14 4  o 300.628 2.86579 161.742      4.44744   170.121      4.48295   272.706     117.378     0.163518    297.378     
1 1 1 4  14 5  o 163.129 2.60952 49.1092      2.19941   48.5678      2.21362   101.276     218.721     83.9261     38.7208     
1 1 1 4  14 6  o 131.641 2.59666 31.9943      1.76503   31.6659      1.77519   125.171     139.614     40.5163     139.614     
1 1 1 4  14 7  o 259.851 2.66287 123.313      3.73539   124.577      3.43001   197.589     33.0416     75.4154     213.042     
1 1 1 4  14 8  o 84.4927 2.45591 12.5767      1.06804   13.6832      1.07755   49.8939     331.046     5.48105     331.046     
1 1 1 4  14 9  o 202.463 2.44819 73.0336      2.56021   77.4696      2.57728   202.289     42.2849     44.9815     42.2849     
1 1 1 4  14 10 o 162.307 2.41401 46.2379      2.0239    50.5148      2.03561   105.914     166.063     76.5096     346.063     
1 1 1 4  14 11 o 253.528 2.55381 115.846      3.34985   120.191      3.36187   290.017     353.898     124.015     353.898     
1 1 1 4  14 12 o 227.052 2.22998 95.6873      2.72568   93.5467      2.52151   220.036     102.792     30.7152     102.792     
1 1 1 4  14 13 o 152.392 2.32633 40.8014      1.89789   44.499       1.76676   149.569     112.663     28.9363     112.663     
1 1 1 4  14 14 o 210.096 2.34639 80.011       2.64925   82.0674      2.45493   246.307     217.932     116.635     217.932     
1 1 1 4  14 15 o 111.692 2.28539 22.8863      1.36481   22.9578      1.2771    110.536     229.064     30.5143     229.064     
1 1 1 4  14 16 o 40.381  2.75431 3.51065      0.574981  2.57453      0.554895  3.71304     7.82502     58.768      7.825       
1 1 1 4  14 17 o 29.5656 3.07452 1.14815      0.424412  2.22305      0.465292  17.4085     168.875     62.5892     168.875     
1 1 1 4  14 18 o 268.198 2.22616 131.565      3.09177   132.599      3.09794   262.839     8.49899     44.0895     8.49898     
1 1 1 4  14 19 o 149.548 2.10285 41.9121      1.6321    40.218       1.62771   148.873     275.45      36.0968     275.45      
1 1 1 4  14 20 o 55.8361 2.39423 6.52922      0.670711  5.01734      0.695472  33.652      351.876     4.33548     171.876     
1 1 1 4  14 21 o 21.0943 3.49438 1.26099      0.398318  0.465303     0.38404   8.16238     314.684     22.1474     314.684     
1 1 1 4  14 22 o 139.178 2.12479 34.9616      1.52908   36.1861      1.53652   102.375     324.776     39.3125     144.776     
1 1 1 4  14 23 o 116.258 2.15958 24.0736      1.29999   25.621       1.29965   104.327     329.857     8.24933     329.857     
1 1 1 4  14 24 o 134.28  2.14933 34.2005      1.49712   32.0602      1.4939    66.6852     94.4028     102.17      274.403     
1 1 1 4  14 25 o 159.068 2.17302 46.4719      1.78587   46.5121      1.79763   151.795     307.903     26.1569     307.903     
1 1 1 4  14 26 o 59.3381 2.55631 7.34087      0.783501  5.7134       0.773081  38.3305     95.1182     15.0595     275.118     
1 1 1 4  14 27 o 105.677 2.48077 21.9137      1.29561   19.2753      1.40477   103.301     212.567     29.3431     212.567     
1 1 1 4  14 28 f 121.853 2.38319 27.0633      1.49785   27.6394      1.50985   132.509     38.1497     0           0           
1 1 1 4  14 29 o 124.125 2.20107 28.882       1.41656   27.8552      1.41434   136.558     147.33      62.8482     147.33      
1 1 1 4  14 30 o 138.898 2.20472 36.1638      1.58613   34.9137      1.58821   132.303     335.536     26.0019     335.536     
1 1 1 4  14 31 o 53.3513 2.54268 6.54731      0.701124  4.15111      0.67389   46.6579     155.529     8.12541     155.529     
1 1 1 4  14 32 o 100.219 2.26591 19.4356      1.17923   17.7077      1.17044   99.5055     36.4288     29.1399     36.4288     
1 1 1 4  14 33 o 100.643 2.4077  19.0861      1.25141   18.4435      1.25674   102.398     196.889     34.9378     196.889     
1 1 1 4  14 34 o 28.0549 3.6054  1.81762      0.527143  1.24852      0.481336  4.95378     74.5494     31.0137     254.549     
1 1 1 4  14 35 o 25.312  4.16428 1.57909      0.54204   0.964339     0.541909  11.0251     74.3204     7.11607     254.32      
1 1 1 4  14 36 o 49.384  2.73367 4.88855      0.727141  4.28704      0.661779  46.3902     1.43826     14.321      1.43826     
1 1 1 4  14 37 o 34.2745 3.23871 2.22666      0.579425  2.28471      0.540943  29.1124     252.121     7.00892     252.121     
1 1 1 4  14 38 o 43.7734 2.92162 3.34474      0.67222   3.95336      0.628147  29.7462     358.208     11.2703     178.208     
1 1 1 4  14 39 o 61.8221 2.78223 7.82333      0.93394   6.66291      0.840736  50.0499     76.1142     1.5616      256.114     
1 1 1 4  14 40 o 13.7481 3.82965 0.539789     0.476357  -0.229713    0.390678  0.968116    179.683     13.4747     359.683     
1 1 1 4  14 41 o 49.4462 3.06991 5.41091      0.836819  4.03824      0.720722  46.7753     42.1324     14.1874     42.1324     
1 1 1 4  14 42 o 26.6    4.26398 2.03671      0.635476  0.956938     0.536774  20.1789     153.649     1.52543     153.649     
1 1 1 4  14 43 o 59.8173 2.7455  6.84819      0.819518  6.85772      0.872865  54.1059     226.521     12.0202     226.521     
1 1 1 4  14 44 o 15.6224 4.00972 0.0611822    0.446183  0.702675     0.453009  3.34242     29.9303     12.813      209.93      
1 1 1 4  14 45 o 54.2228 3.04639 5.2936       0.760665  6.22083      0.937961  46.7357     130.114     7.46313     130.114     
1 1 1 4  14 46 o 12.4757 3.7783  0.356724     0.493712  -0.388355    0.424798  1.74689     22.801      2.63777     202.801     
1 1 1 4  14 47 o 22.8696 4.41236 0.807438     0.52101   1.53117      0.581645  16.7858     106.32      1.71587     106.32      
1 1 1 4  14 48 o 42.3249 4.09756 2.79034      0.826734  5.02225      0.854825  40.3581     288.339     15.8523     288.339     
1 1 1 4  14 49 o 15.6285 4.24679 -0.144862    0.521506  0.867018     0.551731  6.59874     263.703     6.0584      83.7033     
1 1 1 4  14 50 o 31.7444 3.93432 2.6101       0.622484  1.86229      0.61576   27.3466     340.13      8.2828      340.13      
1 1 1 4  14 51 o 15.0246 4.3661  0.476249     0.538896  0.305742     0.558126  5.25386     30.7553     3.67867     210.755     
1 1 1 4  14 52 o 11.8414 3.76765 -0.589385    0.509883  0.299        0.517573  0.516335    146.729     10.5306     326.729     
1 1 1 4  14 53 o 27.1742 4.89924 2.13634      0.696993  1.73712      0.693843  21.0181     73.0616     4.6921      73.0616     
1 1 1 4  14 54 o 32.5715 4.39205 2.95221      0.685528  2.25712      0.73377   27.3754     142.668     9.26698     142.668     
1 1 1 4  14 55 o 11.9172 3.8551  0.11859      0.539489  -0.234195    0.538489  0.469851    107.842     4.5277      287.842     
1 1 1 4  14 56 o 12.3895 4.025   -0.118208    0.631585  0.100287     0.559341  0.593944    78.1016     1.12783     258.102     
1 1 1 4  14 57 o 13.5747 4.27272 -0.078582    0.592905  0.520358     0.637163  2.46451     142.709     1.0171      322.709     
1 1 1 4  15 0  o 322.977 2.29929 191.363      3.84855   191.363      3.84855   361.224     1.97409e-06 128.909     1.97409e-06 
1 1 1 4  15 1  o 111.912 2.17095 22.495       1.16285   23.5067      1.35016   92.5498     131.174     0.930069    131.174     
1 1 1 4  15 2  o 174.913 2.26218 56.8205      2.13393   55.4731      1.96657   141.574     23.6945     27.2674     203.695     
1 1 1 4  15 3  o 191.867 2.63388 65.9457      2.6105    69.2532      2.62783   192.386     207.926     44.488      207.926     
1 1 1 4  15 4  o 216.095 2.68368 84.3354      2.99637   87.1669      3.01553   177.254     7.99196     34.1751     187.992     
1 1 1 4  15 5  o 34.2676 3.44578 1.36143      0.559056  3.24045      0.546975  11.8083     278.18      41.3348     278.18      
1 1 1 4  15 6  o 142.295 2.40201 38.6277      1.77525   35.7353      1.7665    133.458     77.8369     19.0506     77.8369     
1 1 1 4  15 7  o 101.27  2.4233  18.8127      1.26771   18.8842      1.27282   97.3341     188.165     29.81       188.165     
1 1 1 4  15 8  o 92.4486 2.44325 14.5852      1.16144   16.8825      1.17209   69.7636     251.068     15.7382     71.0681     
1 1 1 4  15 9  o 246.716 2.53131 112.703      3.2369    110.843      3.23739   251.852     76.858      58.1112     76.858      
1 1 1 4  15 10 o 165.847 2.42711 49.6816      2.08053   51.3291      2.09233   126.712     227.795     43.229      47.7953     
1 1 1 4  15 11 o 181.739 2.44024 59.8139      2.29106   61.4938      2.30651   127.352     275.005     71.4462     95.005      
1 1 1 4  15 12 o 209.236 2.48883 80.2134      2.69716   80.5992      2.70155   223.565     60.2897     73.04       60.2897     
1 1 1 4  15 13 o 260.189 2.59029 123.824      3.78968   124.916      3.16652   261.83      351.924     55.6972     351.924     
1 1 1 4  15 14 o 103.915 2.85611 19.2155      1.59883   20.5557      1.46308   51.9636     229.077     76.6687     49.0771     
1 1 1 4  15 15 o 21.8267 3.44431 0.899797     0.386363  0.923319     0.373252  11.2217     265.691     29.5628     265.691     
1 1 1 4  15 16 o 144.226 2.30739 36.294       1.66794   40.1616      1.78271   150.49      280.881     50.2635     280.881     
1 1 1 4  15 17 o 23.661  3.27162 0.992195     0.380119  1.14181      0.393698  44.3242     291.546     115.087     291.546     
1 1 1 4  15 18 f 214.607 2.16081 83.5457      2.39872   85.6067      2.40863   148.983     250.846     0           0           
1 1 1 4  15 19 o 149.62  2.11383 42.0346      1.64177   40.1887      1.63656   166.814     354.303     74.1191     354.303     
1 1 1 4  15 20 o 120.076 2.26501 27.8662      1.41338   25.1749      1.40152   112.434     155.717     18.1227     155.717     
1 1 1 4  15 21 o 106.315 2.28693 21.3353      1.25818   20.241       1.25881   114.883     74.5053     51.1952     74.5053     
1 1 1 4  15 22 o 151.302 2.13426 43.4111      1.67896   40.7116      1.66783   145.402     147.892     26.9557     147.892     
1 1 1 4  15 23 o 41.5215 2.58776 3.42411      0.554467  2.97486      0.546311  0.333568    6.90241     61.2481     186.902     
1 1 1 4  15 24 o 63.2471 2.32116 7.37866      0.756107  7.36912      0.760644  31.075      206.166     40.0437     26.1665     
1 1 1 4  15 25 o 26.7878 3.47803 1.48213      0.454392  1.25425      0.473775  8.7975      252.087     40.7166     252.087     
1 1 1 4  15 26 o 50.2026 2.66509 4.61643      0.686593  4.72185      0.690319  30.8837     121.253     3.36171     301.253     
1 1 1 4  15 27 o 65.7935 2.42334 8.98691      0.854481  7.0593       0.790096  63.9636     281.242     32.1023     281.242     
1 1 1 4  15 28 o 59.0129 2.62191 6.57779      0.79351   6.32401      0.802004  45.1886     176.928     2.99661     356.928     
1 1 1 4  15 29 o 70.5522 2.43922 9.65158      0.928293  8.77196      0.8509    57.6605     168.481     1.79528     348.481     
1 1 1 4  15 30 o 65.3643 2.36959 8.39637      0.79937   7.43737      0.798707  77.2007     28.8089     51.8053     28.8089     
1 1 1 4  15 31 o 70.3745 2.33729 9.9554       0.850723  8.42187      0.845514  62.3843     277.239     7.96001     277.239     
1 1 1 4  15 32 o 37.5007 2.99959 2.64414      0.570152  2.65594      0.575563  24.714      38.3047     6.83662     218.305     
1 1 1 4  15 33 o 130.653 2.25096 31.0777      1.52285   32.1411      1.52579   144.275     48.0814     67.9368     48.0814     
1 1 1 4  15 34 o 71.0898 2.6315  8.95723      1.02217   9.92779      0.896973  72.4828     259.218     28.2547     259.218     
1 1 1 4  15 35 o 36.0253 3.50004 2.39963      0.641383  2.59985      0.629587  25.5662     205.173     18.9702     205.173     
1 1 1 4  15 36 o 66.3496 2.5907  9.14803      0.845932  7.41608      0.912167  51.8902     153.089     5.90993     333.089     
1 1 1 4  15 37 o 18.9027 3.7418  1.1494       0.435019  0.204471     0.418244  5.23147     88.6877     14.4239     268.688     
1 1 1 4  15 38 o 38.1564 3.1101  2.42487      0.602407  3.19182      0.591739  29.2036     53.8933     2.31499     233.893     
1 1 1 4  15 39 o 21.9935 4.06883 1.17793      0.483159  0.785079     0.464698  15.557      27.7721     2.73171     27.7721     
1 1 1 4  15 40 o 12.8725 3.77184 0.219189     0.419982  0.00838209   0.410516  1.18664     286.673     8.55369     106.673     
1 1 1 4  15 41 o 27.37   4.1544  1.14566      0.530807  1.98096      0.621455  18.3531     246.462     4.3167      66.4624     
1 1 1 4  15 42 o 11.6766 3.51647 0.316289     0.410855  -0.72701     0.450566  0.389518    48.7307     4.51406     228.731     
1 1 1 4  15 43 o 45.5682 3.17013 3.74262      0.742505  4.40684      0.729175  32.4803     204.458     7.20078     24.4577     
1 1 1 4  15 44 o 25.2279 4.26195 1.54226      0.571995  1.16745      0.530957  19.5301     320.796     3.49515     320.796     
1 1 1 4  15 45 o 43.9914 3.03273 3.62958      0.675903  4.01823      0.688667  40.0151     154.533     11.5942     154.533     
1 1 1 4  15 46 o 44.3958 3.04945 4.09643      0.692863  3.7602       0.691752  37.2689     192.932     5.44223     192.932     
1 1 1 4  15 47 o 17.8301 4.0679  0.0753383    0.49219   1.14649      0.495605  10.7467     345.873     1.03785     165.873     
1 1 1 4  15 48 o 14.3087 4.3172  0.0610373    0.526597  0.37395      0.605637  5.54941     343.173     2.26442     163.173     
1 1 1 4  15 49 o 21.2113 4.90846 1.35356      0.673255  0.879042     0.577732  13.0639     290.22      2.21008     110.22      
1 1 1 4  15 50 o 15.3371 4.33522 0.257858     0.530129  0.614817     0.529892  5.05884     148.804     0.801261    328.804     
1 1 1 4  15 51 o 12.3422 3.78149 0.507449     0.509017  -0.678669    0.488643  1.85619     139.98      3.00928     319.98      
1 1 1 4  15 52 f 17.9463 4.61309 0.340713     0.640887  1.16189      0.573157  13.4027     139.135     0           0           
1 1 1 4  15 53 o 17.832  4.82657 1.02534      0.687607  0.660883     0.558052  7.89321     2.72388     0.349543    182.724     
1 1 1 4  15 54 o 15.0762 4.54672 0.33239      0.613103  0.547032     0.64152   3.83025     109.969     4.23759     289.969     
1 1 1 4  15 55 f 15.2951 4.3228  1.0442       0.592756  -0.285053    0.600627  8.20371     34.4453     0           0           
1 1 1 4  15 56 f 14.9139 4.47241 0.280292     0.597508  0.668846     0.615254  4.89523     10.7847     0           0           
1 1 1 4  15 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  16 0  o 85.3059 2.31036 13.4064      1.01821   13.4064      1.01821   98.5302     6.86933e-06 66.0971     6.86933e-06 
1 1 1 4  16 1  o 75.7868 2.27055 10.9297      0.920511  10.2011      0.859676  43.3118     140.883     38.177      320.883     
1 1 1 4  16 2  o 155.553 2.37492 44.4901      1.91574   44.3594      1.91416   127.568     171.797     21.3864     351.797     
1 1 1 4  16 3  o 182.183 2.63462 60.515       2.47735   61.4155      2.49874   180.169     32.2579     35.5828     32.2579     
1 1 1 4  16 4  o 142.371 2.4155  36.0862      1.77811   38.368       1.78611   166.79      127.345     87.5785     127.345     
1 1 1 4  16 5  o 81.7899 2.48488 12.4174      1.04612   12.1984      1.0558    79.8693     99.2494     42.3369     99.2494     
1 1 1 4  16 6  o 105.115 2.41635 20.9249      1.31562   19.7065      1.31325   95.3115     160.759     12.1047     160.759     
1 1 1 4  16 7  o 172.859 2.41626 55.5293      2.16316   54.2208      2.16665   151.289     287.121     5.00451     107.121     
1 1 1 4  16 8  o 163.722 2.42194 49.2103      2.05121   49.2452      2.05962   112.579     125.006     66.3905     305.006     
1 1 1 4  16 9  o 85.3894 2.47249 14.0956      1.09001   12.7511      1.0919    69.7595     8.29954     0.194589    188.3       
1 1 1 4  16 10 o 106.397 2.44621 20.0259      1.34291   21.6189      1.35053   89.9462     113.219     1.62048     293.219     
1 1 1 4  16 11 o 108.977 2.58635 22.0919      1.52819   21.6008      1.38769   105.423     5.38438     26.7321     5.38438     
1 1 1 4  16 12 o 129.128 2.76891 30.3318      2.03096   31.0273      1.64629   97.808      122.495     29.7728     302.495     
1 1 1 4  16 13 o 48.9254 4.07695 4.65619      1.03008   4.29982      0.997872  0.817947    278.018     75.1482     278.018     
1 1 1 4  16 14 o 221.209 2.58603 91.0756      3.12186   88.7858      2.8038    204.906     344.943     16.6304     344.942     
1 1 1 4  16 15 o 49.7986 2.63035 4.15801      0.608796  5.02938      0.740895  19.9994     237.339     120.165     237.339     
1 1 1 4  16 16 f 120.205 2.19934 27.8595      1.32896   25.2644      1.40317   126.143     302.575     0           0           
1 1 1 4  16 17 o 21.708  3.27622 0.97864      0.362633  0.825002     0.352623  9.8417      269.55      28.5765     269.55      
1 1 1 4  16 18 o 109.072 2.12273 22.9766      1.20492   20.7802      1.19146   104.855     17.2601     24.0935     17.2601     
1 1 1 4  16 19 o 160.662 2.21316 49.0403      1.78538   45.822       1.89397   161.625     213.554     42.7842     213.554     
1 1 1 4  16 20 o 82.4175 2.35016 12.8715      1.00563   12.1426      0.997875  67.4873     163.599     1.6702      343.599     
1 1 1 4  16 21 o 50.0474 2.43333 4.92068      0.629821  4.34256      0.623433  25.849      4.84176     21.301      184.842     
1 1 1 4  16 22 o 222.054 2.20268 90.0437      2.53599   91.2112      2.53466   192.879     18.5421     2.99852     198.542     
1 1 1 4  16 23 o 120.3   2.16274 28.038       1.35476   25.2278      1.33922   80.0283     358.093     46.433      178.093     
1 1 1 4  16 24 o 143.789 2.16387 38.6006      1.61445   37.4509      1.61097   122.536     294.897     2.00787     114.897     
1 1 1 4  16 25 o 168.736 2.25964 52.509       1.90939   52.3001      2.04094   146.782     295.243     2.17758     295.243     
1 1 1 4  16 26 o 60.4216 2.52693 7.14243      0.789079  6.37845      0.784935  39.2247     200         18.8803     20.0004     
1 1 1 4  16 27 o 33.2545 3.07182 2.3669       0.530225  1.81494      0.499222  13.4857     294.833     18.3627     114.833     
1 1 1 4  16 28 o 27.9795 3.55554 1.78819      0.46158   1.23172      0.517648  12.6004     231.932     3.50098     51.9324     
1 1 1 4  16 29 o 19.0284 3.9682  0.350587     0.43936   0.989918     0.444823  14.093      73.2412     53.3779     73.2412     
1 1 1 4  16 30 o 53.1162 2.47669 4.89904      0.675917  5.60523      0.677903  35.6717     294.057     15.0824     114.057     
1 1 1 4  16 31 o 35.6198 3.09465 2.73191      0.560517  2.09221      0.550071  17.1172     31.685      20.0701     211.685     
1 1 1 4  16 32 o 65.377  2.45358 7.74435      0.845578  8.17449      0.809473  53.3498     338.652     0.939225    158.652     
1 1 1 4  16 33 o 47.5732 2.59784 4.1596       0.63256   4.32688      0.638683  38.4014     50.4528     0.803065    50.4528     
1 1 1 4  16 34 o 76.8513 2.51702 11.3254      1.0022    10.7678      0.997362  75.962      301.943     24.8842     301.943     
1 1 1 4  16 35 o 15.1183 3.94261 0.52208      0.433517  0.179696     0.397968  5.96093     117.076     31.4834     117.076     
1 1 1 4  16 36 o 35.3152 3.19387 2.50013      0.540064  2.30799      0.596553  21.2698     318.407     13.4614     138.407     
1 1 1 4  16 37 o 38.9454 3.42766 3.23696      0.598514  2.65501      0.723676  24.937      308.52      12.6268     128.52      
1 1 1 4  16 38 o 33.6449 3.70103 2.79802      0.582997  1.72508      0.626794  24.027      40.1414     4.57921     220.141     
1 1 1 4  16 39 o 26.511  3.97096 1.69032      0.559069  1.18133      0.501363  18.0303     197.104     3.37727     17.1036     
1 1 1 4  16 40 o 15.1392 4.17291 0.284923     0.509477  0.365948     0.438588  4.90885     347.683     31.044      347.683     
1 1 1 4  16 41 o 62.3225 2.60417 7.38432      0.838169  7.44111      0.83689   46.7023     239.226     6.8712      59.2263     
1 1 1 4  16 42 o 37.1096 3.38675 3.19202      0.656948  2.31238      0.607702  36.5706     112.442     17.0784     112.442     
1 1 1 4  16 43 o 48.3053 2.96006 3.91518      0.693743  5.24612      0.770581  45.5479     197.142     15.489      197.142     
1 1 1 4  16 44 o 26.0991 4.12497 1.64962      0.544576  1.26353      0.546398  18.4423     231.426     1.34855     51.4255     
1 1 1 4  16 45 o 15.7235 4.20147 0.539557     0.471803  0.354629     0.470713  7.27177     271.838     0.233157    91.8383     
1 1 1 4  16 46 o 29.6569 3.8749  1.57439      0.56226   2.21761      0.581236  28.1174     107.111     13.2951     107.111     
1 1 1 4  16 47 o 14.592  4.14031 0.323585     0.461738  0.372402     0.492704  1.87007     87.8354     0.325762    87.8354     
1 1 1 4  16 48 o 12.242  3.91469 -0.194637    0.452733  0.104333     0.597322  1.73197     205.177     3.06744     25.1772     
1 1 1 4  16 49 o 14.989  4.39326 0.959887     0.680665  -0.537907    0.559439  3.52057     126.542     0.434092    306.542     
1 1 1 4  16 50 f 16.7131 4.48305 0.232527     0.557055  0.968331     0.573268  11.144      200.274     0           0           
1 1 1 4  16 51 o 19.5986 4.86341 0.83283      0.619833  1.20062      0.619062  6.4853      234.441     13.4769     54.4409     
1 1 1 4  16 52 o 16.2366 4.54458 0.787519     0.571054  0.425212     0.582885  3.91359     238.674     0.148433    58.6741     
1 1 1 4  16 53 o 35.7345 3.99146 3.31769      0.719435  2.68134      0.70386   32.7821     139.464     15.9456     139.464     
1 1 1 4  16 54 o 15.7799 4.62947 0.767578     0.63104   0.391919     0.626623  4.55549     174.029     0.659033    354.029     
1 1 1 4  16 55 o 11.7057 3.83839 -0.157037    0.535878  -0.000865599 0.574148  0.802668    296.497     1.77115     116.497     
1 1 1 4  16 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  17 0  o 548.956 3.36896 553.596      9.58495   553.596      9.58495   585.445     5.71062e-06 178.598     5.71062e-06 
1 1 1 4  17 1  o 91.7076 2.33117 16.1017      1.11033   14.8411      1.10137   87.4389     350.897     26.3033     350.897     
1 1 1 4  17 2  o 65.2377 2.75652 7.94658      0.911178  7.75415      0.943801  12.7913     348.39      81.201      168.39      
1 1 1 4  17 3  o 22.6421 3.57968 1.04074      0.370087  0.916923     0.449531  24.9648     35.7462     65.7996     35.7462     
1 1 1 4  17 4  o 173.178 2.54747 55.2089      2.38657   54.9946      2.18288   161.682     99.857      17.5556     99.857      
1 1 1 4  17 5  o 18.7487 3.89201 0.870069     0.428111  0.439386     0.397271  24.2071     137.987     57.7635     137.987     
1 1 1 4  17 6  o 33.7685 3.42036 2.52295      0.606451  1.79175      0.551271  36.9395     40.0987     121.207     40.0987     
1 1 1 4  17 7  o 66.5604 2.69024 8.49121      0.965435  7.85321      0.883539  48.4762     151.094     0.227198    331.093     
1 1 1 4  17 8  o 39.5523 3.20663 2.64927      0.666207  3.19648      0.61164   1.58799     152.006     39.8942     332.006     
1 1 1 4  17 9  o 106.955 2.60548 20.7174      1.50214   21.3808      1.37751   75.7758     89.3385     31.9046     269.338     
1 1 1 4  17 10 o 79.1997 2.82553 11.7371      1.15125   11.3898      1.16086   32.5899     274.233     67.757      94.2332     
1 1 1 4  17 11 o 141.868 2.69185 37.3241      1.97617   36.7266      1.97921   118.568     62.2852     10.4856     242.285     
1 1 1 4  17 12 o 92.4841 3.57163 15.2004      1.71282   16.4263      1.69587   82.0243     70.2525     10.5497     70.2526     
1 1 1 4  17 13 o 91.8277 3.31291 14.9855      1.4473    16.1612      1.6939    80.2269     296.302     7.56896     296.302     
1 1 1 4  17 14 o 154.612 2.85542 42.0347      2.16135   46.0091      2.41257   135.813     198.926     1.30826     198.926     
1 1 1 4  17 15 o 144.407 2.2803  38.9516      1.72732   37.6743      1.6866    150.272     39.3324     50.3969     39.3324     
1 1 1 4  17 16 o 147.193 2.22278 41.8232      1.6304    37.8297      1.75012   134.485     190.67      12.7015     190.67      
1 1 1 4  17 17 o 48.039  2.3507  4.47231      0.585308  4.05576      0.577436  28.2688     121.361     4.75607     121.361     
1 1 1 4  17 18 o 79.2311 2.18643 11.9236      0.900306  11.187       0.891745  64.3406     152.938     1.14811     332.938     
1 1 1 4  17 19 o 74.8042 2.34157 10.8677      0.906925  9.76248      0.902682  45.9003     118.422     31.4222     298.422     
1 1 1 4  17 20 f 99.4374 2.24703 19.2421      1.19834   17.1811      1.11555   83.9299     104.686     0           0           
1 1 1 4  17 21 o 36.6187 2.70517 2.32874      0.50181   2.67033      0.508316  4.99594     49.9196     32.6789     229.92      
1 1 1 4  17 22 o 116.656 2.16009 26.1167      1.30894   23.9998      1.2998    109.204     37.3856     21.2697     37.3855     
1 1 1 4  17 23 o 10.267  3.11354 -0.267075    0.325185  0.114232     0.29725   17.3979     292.026     37.885      292.026     
1 1 1 4  17 24 o 16.0028 3.39895 0.0131426    0.346638  0.822276     0.35684   10.6689     143.348     29.4518     143.348     
1 1 1 4  17 25 o 46.6643 2.71225 4.08191      0.648571  4.01927      0.651914  30.3875     128.585     11.993      308.585     
1 1 1 4  17 26 o 63.8054 2.47259 7.94402      0.816248  7.15131      0.811524  66.7297     148.055     30.5104     148.055     
1 1 1 4  17 27 o 93.9511 2.29872 16.0253      1.14855   16.6189      1.0846    97.5343     239.918     37.3708     239.918     
1 1 1 4  17 28 o 30.552  3.05913 1.52712      0.4647    2.03057      0.469279  14.6956     193.091     13.1622     13.0907     
1 1 1 4  17 29 o 32.1506 3.34583 2.10801      0.547176  1.84132      0.533502  18.7565     243.669     7.68252     243.669     
1 1 1 4  17 30 o 33.2712 3.32029 2.24793      0.586115  1.98396      0.527849  17.2722     104.709     15.0601     284.709     
1 1 1 4  17 31 o 26.2595 3.5703  1.4675       0.480124  1.2236       0.456635  11.6022     228.69      12.6289     48.6898     
1 1 1 4  17 32 o 36.6708 2.99666 3.35618      0.543529  1.86318      0.532615  25.1279     307.9       6.66373     127.9       
1 1 1 4  17 33 o 56.5644 2.99855 5.78062      0.776561  6.3468       0.965233  55.3174     341.729     19.1172     341.729     
1 1 1 4  17 34 o 50.5584 2.68817 4.26135      0.67293   5.42893      0.722732  52.4546     344.117     24.2436     344.117     
1 1 1 4  17 35 o 16.0448 4.10058 0.710614     0.506777  0.137584     0.399238  4.24632     27.5347     2.40326     207.535     
1 1 1 4  17 36 o 19.3248 4.24021 0.58698      0.471055  0.882695     0.477369  1.19628     355.473     26.1123     175.473     
1 1 1 4  17 37 o 83.816  2.65337 13.2637      1.09394   13.3265      1.2031    85.5642     303.801     34.2743     303.801     
1 1 1 4  17 38 o 47.9799 2.76757 3.84951      0.670344  4.99049      0.686289  40.0398     33.5627     3.43798     33.5627     
1 1 1 4  17 39 o 15.3227 4.08917 0.504939     0.453711  0.231357     0.444929  4.71807     123.905     6.09355     303.905     
1 1 1 4  17 40 o 34.8138 3.36805 2.38448      0.607047  2.41813      0.575736  28.3776     331.53      3.39247     331.53      
1 1 1 4  17 41 o 34.5982 3.39348 2.51516      0.596686  2.25993      0.586679  30.3862     49.1815     8.37477     49.1815     
1 1 1 4  17 42 o 22.0157 4.48013 1.03862      0.573796  1.05181      0.505784  15.7828     323.714     2.66572     323.714     
1 1 1 4  17 43 o 25.7998 4.22503 1.20797      0.541193  1.67355      0.571697  12.811      151.105     12.9541     331.105     
1 1 1 4  17 44 o 30.4285 3.89332 2.50135      0.595257  1.4736       0.575369  24.6398     250.512     3.91688     250.512     
1 1 1 4  17 45 o 18.5739 4.48106 0.796318     0.549234  0.732023     0.485938  6.34428     280.328     13.4586     100.328     
1 1 1 4  17 46 o 27.2088 4.26363 1.29156      0.606149  2.07507      0.576805  16.8751     351.461     6.3284      171.461     
1 1 1 4  17 47 o 24.9152 4.54614 1.26914      0.574986  1.68743      0.613046  14.8517     335.742     5.79587     155.742     
1 1 1 4  17 48 o 23.87   4.61785 1.66148      0.58079   1.13127      0.622913  16.7235     0.323369    1.18036     0.323368    
1 1 1 4  17 49 o 27.2599 5.26355 2.60934      0.804055  1.43658      0.79406   19.283      307.433     0.349952    307.433     
1 1 1 4  17 50 o 25.2764 4.71299 2.11209      0.653072  1.21169      0.642281  14.2179     325.723     6.9697      145.723     
1 1 1 4  17 51 o 23.9452 4.69972 1.47955      0.605962  1.51094      0.602018  13.9629     322.844     4.02214     142.844     
1 1 1 4  17 52 o 12.9367 4.01465 0.19008      0.520232  0.154474     0.513942  0.937316    17.3472     8.91013     197.347     
1 1 1 4  17 53 o 13.4132 4.12213 0.0219536    0.538327  0.452402     0.547018  2.38188     154.775     3.4097      334.775     
1 1 1 4  17 54 f 16.8446 4.71362 0.596103     0.645822  0.910806     0.596926  5.42262     68.4448     0           0           
1 1 1 4  17 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  18 0  o 219.446 2.27209 88.408       2.5833    88.408       2.5833    174.36      180         44.3827     8.65172e-06 
1 1 1 4  18 1  o 158.971 2.14449 47.9997      1.71291   44.8362      1.81488   149.425     260.148     20.918      260.148     
1 1 1 4  18 2  o 249.816 2.55404 111.889      3.30155   117.521      3.31186   257.535     128.471     72.3643     128.471     
1 1 1 4  18 3  o 83.0303 2.58462 12.8975      1.04094   12.493       1.17202   48.017      268.793     42.8682     88.7928     
1 1 1 4  18 4  o 186.331 2.70107 65.1691      2.61646   62.496       2.6007    170.67      146.833     13.3142     146.833     
1 1 1 4  18 5  o 152.778 2.69169 42.5268      2.13098   43.319       2.13046   136.997     349.952     7.22975     349.952     
1 1 1 4  18 6  o 197.708 2.72272 68.9746      2.78254   74.8145      2.7952    188.43      137.773     28.6471     137.773     
1 1 1 4  18 7  o 240.557 2.78578 104.456      3.47033   108.382      3.47635   238.719     168.561     52.1616     168.561     
1 1 1 4  18 8  o 91.5643 2.75603 16.3906      1.30767   14.5256      1.29935   41.0692     324.111     74.4188     144.111     
1 1 1 4  18 9  f 166.578 2.69314 50.504       2.32545   51.535       2.32528   140.121     189.797     0           0           
1 1 1 4  18 10 o 77.8763 2.86272 10.8017      1.16136   11.5774      1.13996   43.7298     331.449     42.6462     151.449     
1 1 1 4  18 11 o 95.3447 3.29706 17.837       1.77094   15.7647      1.47828   95.8841     344.047     33.6161     344.047     
1 1 1 4  18 12 o 133.241 3.51184 34.2044      2.43779   31.3784      2.40269   119.424     189.76      8.33001     189.76      
1 1 1 4  18 13 o 94.331  2.68633 17.5132      1.24488   15.3111      1.36148   86.241      306.702     14.7084     306.702     
1 1 1 4  18 14 o 61.2598 2.85323 6.59937      0.852894  7.2834       0.949604  46.6374     105.411     0.460781    105.411     
1 1 1 4  18 15 o 146.624 2.5029  41.0108      1.89956   38.1166      1.90147   149.533     182.761     46.7279     182.761     
1 1 1 4  18 16 o 136.659 2.23149 34.0033      1.64106   34.6517      1.51668   99.12       167.912     37.6069     347.912     
1 1 1 4  18 17 o 17.8326 3.49504 0.865088     0.336129  0.287739     0.382944  13.438      251.167     34.3245     251.167     
1 1 1 4  18 18 o 70.3903 2.32497 9.01096      0.820102  9.25866      0.871638  67.4134     108.322     34.4797     108.322     
1 1 1 4  18 19 o 78.337  2.34217 11.872       0.951339  10.7681      0.945072  51.6075     184.226     25.3932     4.22595     
1 1 1 4  18 20 o 24.3239 3.65577 1.29642      0.418611  0.97908      0.474563  4.65279     201.181     24.2892     201.181     
1 1 1 4  18 21 o 72.3591 2.26276 10.0839      0.851151  9.24554      0.841253  39.6549     161.644     40.729      341.644     
1 1 1 4  18 22 o 135.656 2.1651  36.0582      1.52946   31.7934      1.51199   155.775     283.553     81.2097     283.553     
1 1 1 4  18 23 o 69.6115 2.27475 9.85956      0.825183  8.09286      0.807471  64.6497     322.115     14.6588     322.115     
1 1 1 4  18 24 o 59.6904 2.49882 6.45336      0.764927  6.76276      0.774337  29.5422     15.0333     40.1439     195.033     
1 1 1 4  18 25 f 50.8974 2.59761 4.93491      0.684456  4.70628      0.676838  49.6918     203.407     0           0           
1 1 1 4  18 26 o 70.9035 2.45405 9.47654      0.898347  9.18187      0.899864  63.0464     255.69      9.10574     255.69      
1 1 1 4  18 27 o 43.7838 2.61244 3.12106      0.577726  4.07597      0.589651  32.7949     164.88      2.2306      344.88      
1 1 1 4  18 28 o 43.207  2.93878 3.47543      0.571305  3.55261      0.720122  31.8995     273.629     3.50677     93.6293     
1 1 1 4  18 29 o 32.8644 3.41849 2.23055      0.524798  1.92244      0.593701  24.4141     28.7827     2.717       28.7827     
1 1 1 4  18 30 o 21.8754 4.25454 1.08199      0.495034  0.814173     0.506825  8.20724     189.774     9.2148      9.77364     
1 1 1 4  18 31 o 12.6897 3.65755 -0.153005    0.449256  0.281409     0.352163  5.65596     324.055     23.4963     324.055     
1 1 1 4  18 32 o 21.0889 3.86767 1.1258       0.453962  0.660795     0.411089  10.7608     324.521     4.14213     144.521     
1 1 1 4  18 33 o 38.4702 3.08907 2.75297      0.610964  2.92309      0.598079  34.6766     129.617     9.24944     129.617     
1 1 1 4  18 34 o 51.8009 2.60115 4.8908       0.689382  5.24754      0.697999  33.4877     170.505     17.3543     350.505     
1 1 1 4  18 35 o 16.5217 3.88392 0.684163     0.405271  0.323579     0.392492  3.38751     165.965     15.0478     345.965     
1 1 1 4  18 36 o 12.9423 3.799   0.0204326    0.443012  0.200283     0.402436  0.536337    252.743     1.16565     72.7426     
1 1 1 4  18 37 o 25.4056 3.97425 1.1637       0.479422  1.48625      0.541236  16.6932     194.062     3.78989     14.0617     
1 1 1 4  18 38 o 20.7519 4.14565 0.706222     0.458704  1.07754      0.483171  13.1176     348.978     0.285548    168.978     
1 1 1 4  18 39 o 52.0169 2.86861 5.96023      0.777362  4.54441      0.748836  45.858      229.179     9.54289     229.179     
1 1 1 4  18 40 o 27.8502 3.73902 2.22076      0.517841  1.03799      0.512192  25.3029     69.4997     11.7417     69.4997     
1 1 1 4  18 41 o 35.2215 3.50601 2.14916      0.627694  2.89556      0.595767  29.3012     217.675     4.97926     217.675     
1 1 1 4  18 42 o 24.8785 4.3223  1.4565       0.574098  1.2477       0.533433  15.405      244.938     5.55916     64.9378     
1 1 1 4  18 43 o 14.7786 4.10603 0.169534     0.45018   0.521354     0.484394  3.27009     348.646     12.5167     168.646     
1 1 1 4  18 44 o 29.2292 4.08531 1.75967      0.572816  1.99096      0.62167   29.1235     114.911     17.22       114.911     
1 1 1 4  18 45 o 14.1257 3.95201 0.637858     0.475939  -0.137554    0.455634  4.74771     27.2141     5.32781     207.214     
1 1 1 4  18 46 o 13.3145 3.93116 -0.129195    0.48041   0.458695     0.470638  2.6741      189.432     2.55555     9.43198     
1 1 1 4  18 47 o 11.7334 3.73887 0.0338764    0.48456   -0.121779    0.476897  1.98271     316.909     17.0837     316.909     
1 1 1 4  18 48 o 10.9436 3.56492 -0.982237    0.465226  0.268397     0.527344  0.543492    170.637     2.98192     350.637     
1 1 1 4  18 49 f 11.9371 3.91655 -0.18261     0.564851  -0.113525    0.593953  3.23367     100.557     0           0           
1 1 1 4  18 50 o 16.0799 4.59225 0.408132     0.620537  0.747373     0.583042  4.8152      126.775     7.00484     306.775     
1 1 1 4  18 51 f 14.4187 4.046   -0.349544    0.533437  0.855457     0.516825  5.74702     136.106     0           0           
1 1 1 4  18 52 o 12.3474 3.923   0.115967     0.526578  0.0572242    0.521199  1.01618     183.463     2.3386      3.46314     
1 1 1 4  18 53 o 27.6282 4.74822 2.007        0.674828  2.09403      0.672015  23.9655     350.577     12.7113     350.577     
1 1 1 4  18 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  19 0  o 43.1412 2.42    3.47942      0.53311   3.47942      0.53311   65.374      180         207.249     180         
1 1 1 4  19 1  o 149.799 2.08026 42.4747      1.61794   39.9615      1.61175   159.946     26.2564     60.9373     26.2564     
1 1 1 4  19 2  o 107.716 2.16161 20.634       1.1568    22.0333      1.2549    117.776     94.5442     55.4276     94.5442     
1 1 1 4  19 3  o 102.931 2.51665 20.2525      1.20796   18.7583      1.45112   107.861     138.74      43.7408     138.74      
1 1 1 4  19 4  o 231.695 2.65157 98.1928      3.04217   99.2393      3.32215   229.951     311.522     52.8942     311.522     
1 1 1 4  19 5  o 160.646 2.57192 47.427       2.04717   47.4717      2.23226   138.682     214.269     2.60234     34.2688     
1 1 1 4  19 6  o 129.898 2.71966 30.4952      1.82601   31.6392      1.83209   109.569     170.423     5.081       350.423     
1 1 1 4  19 7  f 95.9664 2.75228 17.3402      1.37113   16.6052      1.36114   73.8184     103.107     0           0           
1 1 1 4  19 8  o 90.6921 2.78119 14.8734      1.30335   15.4556      1.30503   46.361      114.278     61.3484     294.278     
1 1 1 4  19 9  o 194.764 2.90206 67.2109      3.058     72.5095      2.78126   199.411     349.972     59.8055     349.972     
1 1 1 4  19 10 f 77.3137 2.98777 12.3224      1.13208   9.83024      1.22806   50.7525     248.842     0           0           
1 1 1 4  19 11 o 27.2902 4.83821 1.73425      0.647864  1.12037      0.74036   4.46968     162.332     26.6192     162.332     
1 1 1 4  19 12 f 47.2776 3.39579 4.66695      0.719603  3.69426      0.879675  61.1579     194.75      0           0           
1 1 1 4  19 13 o 69.9562 2.66867 9.20172      0.958019  8.87074      0.96974   52.9582     300.794     4.56097     120.794     
1 1 1 4  19 14 o 113.53  2.52386 23.948       1.47959   23.5489      1.48713   109.152     324.972     27.8577     324.972     
1 1 1 4  19 15 o 82.1354 2.62822 13.1169      1.11754   11.803       1.11246   73.2774     203.973     14.6379     203.973     
1 1 1 4  19 16 o 59.5294 2.79131 6.96072      0.855666  6.17638      0.854812  41.1463     280.169     8.8461      100.169     
1 1 1 4  19 17 o 52.4877 2.47308 5.00928      0.702405  5.18686      0.632142  27.2593     114.614     26.5128     294.615     
1 1 1 4  19 18 o 121.072 2.39911 26.0129      1.42998   28.071       1.57869   117.216     87.8592     29.2869     87.8592     
1 1 1 4  19 19 o 62.1693 2.37402 7.71147      0.792868  6.60134      0.731607  46.9412     72.4977     6.65266     252.498     
1 1 1 4  19 20 o 50.9771 2.41802 5.13164      0.638555  4.51098      0.630329  51.3536     357.353     30.3905     357.353     
1 1 1 4  19 21 o 74.102  2.22898 10.61        0.85495   9.69379      0.852262  43.8052     27.1585     36.9052     207.159     
1 1 1 4  19 22 o 45.9629 2.46727 4.31643      0.585249  3.55655      0.577792  39.9089     243.853     9.62228     243.853     
1 1 1 4  19 23 o 11.1179 3.37026 0.138867     0.300766  -0.372276    0.445376  21.5832     68.606      53.0547     68.606      
1 1 1 4  19 24 o 37.7048 3.03461 2.95605      0.52473   2.41678      0.617927  12.9609     301.087     33.1044     121.087     
1 1 1 4  19 25 o 18.64   3.91802 0.581509     0.433467  0.740082     0.386104  0.00291491  221.844     12.6894     41.8597     
1 1 1 4  19 26 o 57.0151 2.83361 6.38868      0.948041  5.79838      0.707536  49.7047     340.684     7.55605     340.684     
1 1 1 4  19 27 o 45.1059 2.58774 4.01212      0.603749  3.61991      0.595036  41.8628     115.782     14.1084     115.782     
1 1 1 4  19 28 o 36.5732 2.97767 2.70628      0.552595  2.38154      0.553471  27.8899     220.769     0.0959353   40.7706     
1 1 1 4  19 29 o 42.3416 2.81528 3.28808      0.607998  3.49883      0.61293   25.3379     208.071     17.2645     28.071      
1 1 1 4  19 30 o 43.2785 2.87176 3.87267      0.601409  3.25209      0.659569  25.3446     30.8705     19.0346     210.87      
1 1 1 4  19 31 o 35.7526 3.23515 2.37642      0.583404  2.55467      0.587672  28.5205     229.56      1.34253     229.56      
1 1 1 4  19 32 o 46.279  2.84933 4.09421      0.678591  4.04975      0.674852  42.0226     107.15      9.98778     107.15      
1 1 1 4  19 33 o 37.4778 3.04451 2.28921      0.5529    3.14711      0.602531  30.4829     168.055     2.11515     168.055     
1 1 1 4  19 34 o 38.2143 2.93071 3.26382      0.568552  2.38461      0.561274  26.8567     34.5633     6.62073     214.563     
1 1 1 4  19 35 o 23.7084 3.9733  1.0329       0.490582  1.26904      0.473638  13.8302     130.485     6.69172     310.485     
1 1 1 4  19 36 o 56.3343 2.66353 6.3056       0.758241  5.81692      0.785707  42.6142     80.1925     4.90299     260.192     
1 1 1 4  19 37 o 37.3885 3.50431 3.08654      0.693052  2.49041      0.63089   27.7747     14.0897     2.36605     194.09      
1 1 1 4  19 38 o 29.5531 4.15311 1.56859      0.594375  2.08199      0.633853  28.439      25.9919     16.887      25.9919     
1 1 1 4  19 39 o 14.2997 3.93732 0.0541436    0.41476   0.509887     0.452482  3.8207      301.46      2.18268     121.46      
1 1 1 4  19 40 o 43.3723 3.12457 3.71848      0.67066   3.75132      0.713907  34.9703     333.814     2.64817     333.814     
1 1 1 4  19 41 o 37.0753 3.27604 2.6501       0.613474  2.91383      0.616962  30.2025     195.261     3.794       195.261     
1 1 1 4  19 42 o 30.9213 3.9896  1.76652      0.623243  2.36313      0.600334  28.3056     225.214     11.3384     225.214     
1 1 1 4  19 43 o 21.4606 4.46669 0.97302      0.524837  1.15078      0.537763  13.5535     162.299     2.58147     342.299     
1 1 1 4  19 44 o 23.7342 4.31665 1.45336      0.536411  1.14909      0.537229  17.7696     96.7175     3.31385     96.7175     
1 1 1 4  19 45 o 14.0448 3.94947 -0.158106    0.468511  0.651251     0.47427   2.42506     252.615     11.0288     72.6149     
1 1 1 4  19 46 o 19.8499 4.44311 1.30919      0.54633   0.595523     0.53169   11.1082     207.436     5.43175     207.436     
1 1 1 4  19 47 o 22.2148 4.55152 1.66456      0.586732  0.82786      0.580584  16.7786     21.1813     7.32945     21.1813     
1 1 1 4  19 48 o 18.4109 4.59896 0.524866     0.534359  1.20139      0.596657  8.15948     34.8457     2.4104      34.8457     
1 1 1 4  19 49 o 27.2705 5.34883 1.71784      0.726304  2.5346       0.849315  21.6203     27.086      10.1267     27.086      
1 1 1 4  19 50 o 18.8636 4.85268 0.696011     0.626286  1.23906      0.634376  9.41035     19.0368     0.648777    199.037     
1 1 1 4  19 51 o 8.32063 2.90314 -0.414412    0.453495  -1.17401     0.447651  1.03415     4.37609     4.01399     4.37609     
1 1 1 4  19 52 f 13.6912 4.1024  0.790913     0.575959  -0.412838    0.53708   12.3131     49.4505     0           0           
1 1 1 4  20 0  o 52.0625 2.31076 5.0335       0.617909  5.0335       0.617909  40.5479     180         12.8331     180         
1 1 1 4  20 1  o 22.2821 3.19761 0.98399      0.356175  0.912631     0.357185  5.15471     227.003     17.1156     227.003     
1 1 1 4  20 2  o 175.086 2.16285 54.814       1.88425   57.8755      2.04165   162.062     201.024     21.3803     201.024     
1 1 1 4  20 3  o 92.5905 2.30214 16.1139      1.10308   15.4495      1.10294   79.2719     100.231     5.18727     100.231     
1 1 1 4  20 4  o 70.3122 2.62009 9.78204      0.947945  8.48612      0.951157  44.0255     106.099     25.3286     286.099     
1 1 1 4  20 5  o 82.7432 2.56262 12.9936      1.09511   12.2547      1.09702   71.1895     137.231     8.27575     137.231     
1 1 1 4  20 6  o 52.7188 2.79855 5.62394      0.752972  4.6913       0.759512  30.1916     274.623     12.7836     274.623     
1 1 1 4  20 7  o 55.917  2.80423 6.78042      0.802976  4.8747       0.795362  5.49807     213.925     78.572      33.9249     
1 1 1 4  20 8  o 198.904 2.89386 73.5676      2.81589   72.2722      3.13939   174.009     283.51      4.06882     283.51      
1 1 1 4  20 9  o 35.9812 3.67123 2.38313      0.629714  2.50367      0.699629  6.56789     109.577     16.6694     289.577     
1 1 1 4  20 10 o 42.5117 3.4129  3.37458      0.753157  3.38993      0.723952  16.9265     183.225     18.0167     3.22463     
1 1 1 4  20 11 o 91.7855 2.85769 17.4714      1.35943   13.7719      1.34044   89.5588     305.735     29.4927     305.735     
1 1 1 4  20 12 o 105.002 2.53064 21.0683      1.3739    19.6167      1.37545   82.8377     12.75       11.0803     192.75      
1 1 1 4  20 13 f 59.6722 2.76151 6.63937      0.843442  6.55488      0.855369  54.6708     252.842     0           0           
1 1 1 4  20 14 o 95.8085 2.56946 16.4558      1.26522   17.4556      1.2819    81.3296     343.041     2.20709     343.041     
1 1 1 4  20 15 o 15.4407 4.12492 0.215037     0.447787  0.422844     0.461633  4.3586      233.803     12.3304     233.803     
1 1 1 4  20 16 f 58.3978 2.79966 6.55692      0.835014  6.11328      0.848506  75.6322     147.398     0           0           
1 1 1 4  20 17 o 32.8117 3.87361 1.195        0.569733  3.13498      0.669717  3.24753     102.199     44.055      282.199     
1 1 1 4  20 18 o 98.4372 2.74022 18.1316      1.29753   17.7967      1.48483   86.6031     257.229     7.18593     257.229     
1 1 1 4  20 19 o 110.974 2.27948 22.8575      1.2496    22.6597      1.36685   90.2478     99.3452     7.30825     279.345     
1 1 1 4  20 20 o 40.1469 2.64858 3.46676      0.578731  2.58899      0.509666  23.4895     335.811     15.0582     155.811     
1 1 1 4  20 21 o 47.9054 2.8284  3.98916      0.75471   4.60604      0.614116  29.8735     39.7284     16.7421     219.728     
1 1 1 4  20 22 o 63.8009 2.30201 8.14473      0.759418  6.98584      0.754969  52.0664     23.4807     0.0476812   23.4845     
1 1 1 4  20 23 o 102.397 2.22015 19.693       1.17992   19.1717      1.17406   92.5525     320.243     14.0448     320.243     
1 1 1 4  20 24 o 57.8427 2.44065 5.65643      0.699764  6.84655      0.756375  50.1567     41.6402     6.88231     41.6402     
1 1 1 4  20 25 o 48.313  2.63161 4.77034      0.657376  4.00327      0.647197  46.734      166.246     17.9555     166.246     
1 1 1 4  20 26 o 40.6378 2.80806 2.94925      0.597148  3.29825      0.566458  26.2229     64.1726     12.015      244.173     
1 1 1 4  20 27 o 28.279  3.42229 1.40779      0.481851  1.71324      0.482928  15.5509     189.821     11.0973     9.82053     
1 1 1 4  20 28 o 20.9639 3.92265 1.07284      0.44482   0.685201     0.432081  3.22136     278.987     23.8388     98.9868     
1 1 1 4  20 29 o 90.0484 2.28319 15.3221      1.06236   14.9902      1.06551   86.5299     48.877      24.9435     48.877      
1 1 1 4  20 30 o 52.9365 2.50764 5.72491      0.691863  4.84992      0.673945  59.0275     298.865     33.8009     298.865     
1 1 1 4  20 31 o 11.2256 3.48498 0.0847596    0.417093  -0.260304    0.373921  1.91592     64.3354     13.688      64.3354     
1 1 1 4  20 32 o 20.6489 4.26205 0.768252     0.536721  0.947554     0.444193  12.0909     6.36187     2.98164     186.362     
1 1 1 4  20 33 o 46.1067 2.96133 5.37058      0.751663  2.98353      0.629501  34.8967     184.605     3.46234     4.60545     
1 1 1 4  20 34 o 19.5292 4.10701 1.00412      0.453993  0.531102     0.467781  10.4809     265.732     3.3584      265.732     
1 1 1 4  20 35 o 14.1156 3.81118 -0.0360477   0.407258  0.533684     0.41955   3.17366     259.137     5.64454     79.1369     
1 1 1 4  20 36 o 37.1118 3.38902 3.70465      0.591807  1.89164      0.606948  33.538      54.6186     10.7117     54.6186     
1 1 1 4  20 37 o 39.8194 3.2726  3.35578      0.683578  2.93855      0.642019  34.3022     257.514     7.38748     257.514     
1 1 1 4  20 38 o 10.3363 3.34968 0.0648508    0.434847  -0.845989    0.434234  0.468856    145.555     7.93688     145.555     
1 1 1 4  20 39 o 32.1499 3.5917  2.53604      0.576928  1.74951      0.566457  25.1264     249.35      1.90266     249.35      
1 1 1 4  20 40 o 12.0467 3.55061 -0.448329    0.409698  0.406327     0.413133  1.0291      239.329     0.844038    59.3286     
1 1 1 4  20 41 o 24.1265 4.20582 1.50037      0.52734   1.10772      0.525015  13.3541     194.358     8.52057     14.3577     
1 1 1 4  20 42 o 20.5671 4.39596 1.26909      0.543638  0.687827     0.499041  10.3147     195.221     7.84207     15.2214     
1 1 1 4  20 43 o 11.5206 3.63208 0.165073     0.450663  -0.316177    0.453881  0.834139    98.5        3.0207      278.5       
1 1 1 4  20 44 o 11.4498 3.59677 0.224149     0.450545  -0.360736    0.436859  0.360478    225.549     8.6443      45.549      
1 1 1 4  20 45 o 26.0584 4.28547 2.27597      0.599925  1.02799      0.584187  20.5606     156.024     5.64246     156.024     
1 1 1 4  20 46 o 13.6268 4.08882 -0.0251842   0.506885  0.488247     0.524475  3.20034     275.624     6.38042     95.6242     
1 1 1 4  20 47 o 32.6321 4.1206  1.9981       0.663204  3.04982      0.663145  28.273      151.247     11.3928     151.247     
1 1 1 4  20 48 f 10.4921 3.52315 -0.885692    0.501688  0.0132325    0.549774  6.64813     127.295     0           0           
1 1 1 4  20 49 o 17.5518 4.68046 1.09471      0.604131  0.489561     0.600464  7.42005     171.463     0.0700164   171.463     
1 1 1 4  20 50 f 14.9153 4.31488 0.844358     0.561904  -0.0273921   0.586413  6.40497     215.767     0           0           
1 1 1 4  20 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  21 0  o 44.3878 2.3652  3.67995      0.536928  3.67995      0.536928  6.28522     7.3923e-06  63.3117     180         
1 1 1 4  21 1  o 90.1593 2.10064 14.713       0.978716  15.2221      0.981906  55.2042     296.622     40.3106     116.622     
1 1 1 4  21 2  o 149.534 2.15659 41.3501      1.60399   40.9202      1.73589   141.45      27.5651     27.9934     27.5651     
1 1 1 4  21 3  o 42.1889 2.84207 3.3689       0.568768  3.25715      0.653931  18.5399     280.365     19.3474     100.365     
1 1 1 4  21 4  o 109.337 2.49389 23.0595      1.41145   21.0545      1.40955   97.765      350.731     11.974      350.731     
1 1 1 4  21 5  o 75.903  2.58873 10.8828      1.01245   10.4069      1.01808   52.9911     134.772     18.3414     314.772     
1 1 1 4  21 6  o 137.955 2.5781  37.6554      1.91926   32.6499      1.76543   124.915     92.331      15.1137     92.331      
1 1 1 4  21 7  o 117.071 2.70169 26.2509      1.63579   24.3913      1.63709   94.1084     261.856     10.1203     81.8557     
1 1 1 4  21 8  o 82.2745 2.78326 12.3397      1.17939   12.7131      1.18763   39.4795     201.261     58.9836     21.2609     
1 1 1 4  21 9  o 60.6509 2.8524  7.68306      0.854033  6.01861      0.910045  46.6553     261.675     3.21844     81.6751     
1 1 1 4  21 10 o 143.471 2.7707  37.1833      2.05012   38.942       2.06663   125.459     53.8535     6.21723     53.8536     
1 1 1 4  21 11 o 45.7602 3.3014  4.54646      0.717335  3.34579      0.793604  16.6048     318.941     39.8149     138.941     
1 1 1 4  21 12 o 46.8411 2.91999 3.57944      0.688692  4.64014      0.706943  45.2385     7.34676     26.9526     7.34676     
1 1 1 4  21 13 o 25.8521 3.96333 1.62247      0.519541  0.989097     0.517847  4.21023     291.126     25.6346     111.126     
1 1 1 4  21 14 o 106.729 2.55357 21.5634      1.41121   20.611       1.40966   105.664     97.064      31.6522     97.064      
1 1 1 4  21 15 o 70.1052 2.69613 9.12785      0.968192  9.12755      0.983897  44.1958     102.372     28.1787     282.372     
1 1 1 4  21 16 o 47.0983 3.0007  4.34739      0.721419  3.96518      0.726397  40.109      50.8594     7.74571     50.8594     
1 1 1 4  21 17 o 40.1851 3.53423 2.82651      0.70761   3.31198      0.730591  30.8411     359.975     2.45257     359.975     
1 1 1 4  21 18 o 42.7152 3.35582 3.31285      0.757097  3.59045      0.698142  31.3742     318.792     2.55719     138.792     
1 1 1 4  21 19 o 44.6331 3.37033 4.96164      0.773831  2.74112      0.71718   21.2556     196.391     28.5583     16.3911     
1 1 1 4  21 20 o 100.931 2.31977 20.3433      1.15861   17.5086      1.25109   65.2458     124.27      38.4034     304.27      
1 1 1 4  21 21 o 22.3284 3.26801 0.978554     0.369685  0.959136     0.361869  3.8059      103.183     21.3056     283.183     
1 1 1 4  21 22 o 101.201 2.23065 18.7591      1.16712   19.2936      1.17022   101.29      349.515     34.6837     349.515     
1 1 1 4  21 23 o 33.8168 2.94394 1.99544      0.487849  2.36395      0.5218    22.522      9.95764     6.36619     189.958     
1 1 1 4  21 24 o 96.2766 2.3913  17.7728      1.19292   16.8394      1.18957   92.1504     210.14      25.117      210.141     
1 1 1 4  21 25 f 19.1484 3.70756 0.443367     0.399052  0.991067     0.391939  8.80769     147.639     0           0           
1 1 1 4  21 26 o 39.001  3.00136 2.82599      0.612349  2.98635      0.579366  33.0717     224.081     5.16943     224.081     
1 1 1 4  21 27 o 34.103  3.16    2.44685      0.542826  2.04348      0.542999  25.3819     118.182     2.32843     298.182     
1 1 1 4  21 28 o 33.7244 3.17976 2.58748      0.593031  1.84028      0.491417  23.4863     23.5185     5.66728     203.519     
1 1 1 4  21 29 o 17.7961 3.97171 0.68405      0.426009  0.553749     0.394373  8.32542     124.641     3.96344     304.641     
1 1 1 4  21 30 o 26.9342 3.61704 1.83214      0.482092  1.09675      0.484309  15.2814     166.612     10.0595     346.612     
1 1 1 4  21 31 o 19.6322 4.28678 0.603384     0.476961  0.952703     0.495636  5.71651     272.069     16.3014     92.0693     
1 1 1 4  21 32 o 19.6483 3.84188 1.34739      0.479584  0.14171      0.458467  2.62394     234.687     23.2556     54.687      
1 1 1 4  21 33 o 20.1523 3.95635 0.278137     0.504038  1.3044       0.462249  10.5779     228.933     5.80337     48.9331     
1 1 1 4  21 34 o 57.3307 2.74411 6.59169      0.814532  6.05664      0.805958  49.692      238.052     8.89293     238.052     
1 1 1 4  21 35 o 36.4925 3.17031 2.34059      0.581899  2.93467      0.584581  31.7904     45.5872     8.16805     45.5872     
1 1 1 4  21 36 o 11.4623 3.52436 0.059306     0.397456  -0.0613614   0.385308  0.893966    255.854     4.33292     75.8544     
1 1 1 4  21 37 o 14.9685 3.78621 0.810657     0.448491  -0.257837    0.434105  5.98616     42.6329     4.35759     222.633     
1 1 1 4  21 38 o 19.3847 4.48526 0.641183     0.528211  0.989504     0.526044  13.1921     302.63      4.19847     302.63      
1 1 1 4  21 39 o 15.2813 4.23723 0.404558     0.463378  0.409891     0.515432  7.15216     215.631     0.743543    35.6308     
1 1 1 4  21 40 o 26.494  4.05519 1.82012      0.555786  1.29612      0.529183  24.5602     182.861     13.6196     182.861     
1 1 1 4  21 41 o 35.5715 3.45085 2.88338      0.63342   2.46198      0.60418   30.4965     350.729     8.49751     350.729     
1 1 1 4  21 42 o 12.8713 3.85478 -0.140529    0.467769  0.387531     0.459304  2.22796     221.811     6.16789     41.8107     
1 1 1 4  21 43 o 16.0675 4.30454 0.338671     0.493127  0.754097     0.513189  6.17427     241.308     0.21708     241.308     
1 1 1 4  21 44 o 13.927  4.10883 0.351441     0.489448  0.259518     0.499373  3.73076     142.281     6.74537     322.281     
1 1 1 4  21 45 o 24.976  4.35036 2.45015      0.640267  0.737936     0.605943  20.128      279.286     10.5254     279.286     
1 1 1 4  21 46 o 27.2587 4.52563 2.36225      0.657806  1.41414      0.620808  19.0741     173.351     1.59794     173.351     
1 1 1 4  21 47 o 38.4547 4.06818 5.02113      0.80946   2.13572      0.691846  35.6615     295.191     17.6699     295.191     
1 1 1 4  21 48 o 12.0385 3.83158 0.403227     0.532367  -0.677649    0.557499  0.98035     241.817     4.81505     61.8167     
1 1 1 4  21 49 o 18.4205 4.90614 1.03471      0.630551  0.906465     0.648461  8.00739     205.632     6.43185     25.6316     
1 1 1 4  21 50 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  22 0  o 32.5286 2.71911 2.027        0.441659  2.027        0.441659  16.5897     2.66024e-05 20.4974     180         
1 1 1 4  22 1  o 76.942  2.17017 10.8334      0.863162  11.0222      0.864407  71.3922     173.561     15.3647     173.561     
1 1 1 4  22 2  o 50.5511 2.33651 4.75052      0.578858  4.71687      0.637171  28.5302     160.198     24.7785     340.198     
1 1 1 4  22 3  o 81.7729 2.43799 12.7558      0.970682  11.9798      1.08373   75.5842     196.022     15.0488     196.022     
1 1 1 4  22 4  o 93.6146 2.54555 17.2922      1.23679   15.169       1.22571   86.7254     129.96      16.4323     129.96      
1 1 1 4  22 5  o 120.854 2.60512 28.3925      1.69111   25.6866      1.56984   105.8       25.0986     6.82641     25.0986     
1 1 1 4  22 6  o 59.0301 2.93521 6.99866      0.890995  5.99722      0.889509  55.8811     11.7309     17.4844     11.7309     
1 1 1 4  22 7  o 116.573 2.71187 25.783       1.6323    24.5774      1.6397    118.139     114.159     39.8181     114.159     
1 1 1 4  22 8  o 58.9174 2.76872 6.437        0.830009  6.47603      0.851464  42.3854     263.758     11.2657     83.7583     
1 1 1 4  22 9  o 112.546 2.66798 23.2754      1.62332   23.6777      1.4804    84.0114     354.06      22.0426     174.06      
1 1 1 4  22 10 o 102.591 2.83312 19.6945      1.49743   19.4062      1.50983   103.855     226.129     36.2024     226.129     
1 1 1 4  22 11 o 181.423 2.67802 60.5356      2.37945   61.473       2.65182   179.805     24.5621     52.1439     24.5621     
1 1 1 4  22 12 o 28.5734 3.76433 1.01711      0.518172  2.23017      0.544881  13.8346     215.338     0.456588    35.3377     
1 1 1 4  22 13 f 39.4588 3.15574 2.64375      0.624949  3.24715      0.638393  17.0289     205.394     0           0           
1 1 1 4  22 14 o 27.3155 3.82913 1.41741      0.511567  1.4836       0.534523  11.4907     165.806     10.6108     345.806     
1 1 1 4  22 15 o 50.9905 2.90568 4.62579      0.752992  5.12806      0.769119  40.8636     47.5765     1.09875     47.5763     
1 1 1 4  22 16 o 160.813 2.70081 50.4124      2.14256   45.9017      2.33986   147.123     236.736     24.1157     236.736     
1 1 1 4  22 17 o 133.629 2.83342 32.9217      1.95377   33.7718      1.96699   122.84      44.6002     22.2102     44.6001     
1 1 1 4  22 18 o 60.9103 2.82862 7.2727       0.888015  6.65479      0.886865  40.608      128.639     18.2804     308.639     
1 1 1 4  22 19 o 86.3763 2.68205 13.8051      1.19131   14.1107      1.20456   70.1879     283.531     2.44192     103.531     
1 1 1 4  22 20 o 53.81   2.93836 5.94991      0.80878   5.00167      0.81203   44.0576     154.609     1.35813     154.609     
1 1 1 4  22 21 o 91.9745 2.49998 15.7721      1.18847   15.8723      1.19086   70.3342     70.339      11.3474     250.339     
1 1 1 4  22 22 o 75.1062 2.32756 11.1305      0.934787  9.96809      0.873419  71.6056     123.57      20.4154     123.57      
1 1 1 4  22 23 o 87.2106 2.49908 14.2796      1.16758   14.2447      1.08568   85.1281     59.4281     27.2755     59.4281     
1 1 1 4  22 24 o 18.5709 3.84728 0.859185     0.41132   0.496501     0.391357  4.51143     127.244     16.5632     307.244     
1 1 1 4  22 25 o 25.868  3.89438 1.04747      0.491036  1.65422      0.52573   18.6811     91.6906     0.204393    271.691     
1 1 1 4  22 26 o 77.0794 2.65705 11.2588      1.05505   11.1762      1.06174   68.2245     47.6702     11.1822     47.6703     
1 1 1 4  22 27 o 20.2254 3.78657 0.529453     0.420827  1.11305      0.416605  0.808247    286.767     31.8263     286.767     
1 1 1 4  22 28 o 35.5288 2.95559 2.66926      0.543048  2.21394      0.522263  18.4964     145.917     18.7851     325.917     
1 1 1 4  22 29 o 41.4418 2.77289 3.39615      0.595764  3.19378      0.581308  31.6977     44.5267     1.5787      224.527     
1 1 1 4  22 30 o 25.5187 3.89982 1.27786      0.516565  1.38274      0.485018  17.4183     12.8596     1.92395     192.86      
1 1 1 4  22 31 o 14.6369 3.87599 0.499138     0.403873  0.157421     0.412258  3.60061     237.5       7.48354     57.5005     
1 1 1 4  22 32 o 16.8938 4.21164 0.544923     0.451252  0.537803     0.466446  5.93589     278.292     8.88828     98.2916     
1 1 1 4  22 33 o 22.7516 4.125   0.504227     0.528525  1.68258      0.536366  14.7238     142.585     2.09834     322.585     
1 1 1 4  22 34 o 19.1508 3.84658 0.250251     0.443486  1.22916      0.453825  12.269      312.52      3.58404     312.52      
1 1 1 4  22 35 o 8.366   2.83324 -0.427046    0.358519  -0.438657    0.342146  1.5706      219.105     6.9454      219.105     
1 1 1 4  22 36 o 15.1641 4.08857 0.528728     0.461571  0.268752     0.439376  4.77548     12.0637     0.664296    12.0637     
1 1 1 4  22 37 o 24.3828 3.81386 0.451458     0.525934  2.19668      0.51912   15.3088     185.348     4.7396      5.34809     
1 1 1 4  22 38 o 28.5488 4.00658 1.77071      0.602468  1.79029      0.540385  26.1163     355.399     11.974      355.399     
1 1 1 4  22 39 o 11.3942 3.57296 -0.862671    0.477469  0.312671     0.465526  1.09307     137.947     5.12379     317.947     
1 1 1 4  22 40 o 10.4322 3.43152 -0.246513    0.427702  -0.240324    0.46998   0.601683    130.046     7.84576     130.046     
1 1 1 4  22 41 o 12.7845 3.8193  -0.221253    0.456832  0.443337     0.464713  2.30575     239.742     4.0678      59.7418     
1 1 1 4  22 42 o 11.3329 3.58778 0.280745     0.474352  -0.555812    0.444419  0.465512    236.109     11.9254     236.109     
1 1 1 4  22 43 o 10.7721 3.53099 -0.142893    0.471765  -0.221206    0.46767   0.293357    262.365     8.05043     262.365     
1 1 1 4  22 44 o 10.6624 3.52486 -0.151034    0.492526  -0.314107    0.475746  0.627425    46.9643     6.53712     46.9643     
1 1 1 4  22 45 o 17.8336 4.61003 0.794844     0.569196  0.827472     0.542528  5.92063     298.832     0.624832    298.832     
1 1 1 4  22 46 o 12.3492 3.90514 0.0293919    0.51181   0.128287     0.513918  1.01859     280.53      4.58603     100.53      
1 1 1 4  22 47 o 36.7312 4.20012 3.51213      0.786867  3.08818      0.757042  34.162      339.239     17.6468     339.239     
1 1 1 4  22 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  23 0  o 36.7015 3.22358 2.60031      0.587801  2.60031      0.587801  22.6009     3.97171e-05 16.4465     180         
1 1 1 4  23 1  o 135.091 2.36674 34.2235      1.73062   33.3192      1.58084   119.36      253.926     11.411      253.926     
1 1 1 4  23 2  o 32.1347 2.72061 1.60716      0.417375  2.30942      0.466094  3.33844     299.684     42.4175     119.684     
1 1 1 4  23 3  o 74.8141 2.62171 10.8057      1.04087   10.0059      0.986464  85.9712     217.788     52.0679     217.788     
1 1 1 4  23 4  o 23.9097 4.65198 1.31658      0.708641  0.943696     0.483031  6.49739     344.498     46.757      344.498     
1 1 1 4  23 5  o 140.434 3.15986 38.9607      2.61527   34.7267      1.96254   138.869     222.168     41.9739     222.168     
1 1 1 4  23 6  o 57.0845 2.86919 5.7588       0.810166  6.42917      0.877205  36.2505     142.086     20.0354     322.086     
1 1 1 4  23 7  o 80.1775 2.58588 12.7128      1.07202   11.2122      1.06861   55.2921     350.482     22.2109     170.482     
1 1 1 4  23 8  o 21.4225 4.03134 1.12864      0.458087  0.658483     0.472434  0.31498     291.211     24.2857     111.211     
1 1 1 4  23 9  o 27.4348 4.05489 1.1475       0.589531  1.81346      0.526311  5.94654     41.3926     26.9352     221.393     
1 1 1 4  23 10 o 53.6504 3.18145 5.04979      0.8611    5.80306      0.890478  41.1894     208.519     3.35275     28.5191     
1 1 1 4  23 11 o 99.1069 2.58833 19.0905      1.32543   17.4936      1.32732   82.2286     274.644     0.187766    94.6443     
1 1 1 4  23 12 o 39.0865 3.13519 3.06226      0.613934  2.73427      0.630691  23.5899     257.376     13.2543     77.3758     
1 1 1 4  23 13 o 61.594  2.7512  6.68483      0.864568  7.53952      0.88166   72.9757     232.236     50.6686     232.236     
1 1 1 4  23 14 o 20.3784 4.02829 1.14784      0.467525  0.461988     0.461517  2.26247     141.666     32.3122     141.666     
1 1 1 4  23 15 o 14.2372 3.81073 0.556434     0.425505  -0.193034    0.429859  3.31467     310.556     18.8198     310.556     
1 1 1 4  23 16 o 33.7727 3.9543  2.66518      0.662719  1.83477      0.659432  25.586      230.223     0.888589    230.222     
1 1 1 4  23 17 o 37.5506 4.20354 2.87603      0.919121  2.67795      0.643768  30.508      53.4649     3.68001     53.4648     
1 1 1 4  23 18 o 39.9544 3.54135 2.82269      0.737447  3.35584      0.684023  37.0501     33.5384     12.9248     33.5384     
1 1 1 4  23 19 o 32.364  4.05437 2.77796      0.608932  1.45485      0.663943  30.5125     132.477     16.5858     132.477     
1 1 1 4  23 20 o 90.43   2.85534 14.5582      1.24339   16.3498      1.42754   88.68       291.564     29.3853     291.564     
1 1 1 4  23 21 o 61.9058 3.07097 7.6492       0.928842  6.94032      1.01982   47.1056     189.197     6.27636     9.19747     
1 1 1 4  23 22 f 12.9395 3.8056  0.0272271    0.304564  0.258508     0.524998  3.00975     25.3382     0           0           
1 1 1 4  23 23 o 16.0081 3.16438 0.983818     0.351166  -0.366689    0.399122  2.07403     41.1293     17.0752     221.129     
1 1 1 4  23 24 o 16.2668 3.80311 0.406805     0.387861  0.582344     0.365745  2.76014     316.35      0.0126585   316.35      
1 1 1 4  23 25 o 47.7654 2.77882 4.70729      0.705916  4.01646      0.657612  42.6181     33.975      9.85539     33.975      
1 1 1 4  23 26 o 46.9542 2.61031 4.57971      0.635628  3.83324      0.621727  39.5081     225.58      5.03586     225.58      
1 1 1 4  23 27 o 42.1527 2.77086 3.62973      0.60706   3.19772      0.588923  19.8746     176.619     26.8157     356.619     
1 1 1 4  23 28 f 41.8566 2.86737 2.74719      0.601565  4.07711      0.604764  26.3601     221.639     0           0           
1 1 1 4  23 29 o 43.4059 2.92483 3.66158      0.679198  3.64282      0.61935   36.1099     274.313     4.94387     274.313     
1 1 1 4  23 30 o 45.24   3.03471 4.03844      0.711847  3.94624      0.694463  35.1634     75.8461     0.0117478   255.837     
1 1 1 4  23 31 o 16.7683 3.9321  0.221755     0.436139  0.820993     0.420029  3.9368      232.934     1.11421     232.934     
1 1 1 4  23 32 o 25.7599 3.92797 0.981948     0.516846  1.84327      0.512507  14.3453     317.96      9.2505      137.96      
1 1 1 4  23 33 o 28.9955 3.88151 1.33845      0.525549  2.24334      0.598255  21.6559     215.061     0.564693    215.061     
1 1 1 4  23 34 o 29.0409 4.06022 2.1616       0.589694  1.47866      0.587367  24.0858     287.67      5.93803     287.67      
1 1 1 4  23 35 f 27.6339 3.98307 2.09281      0.552739  1.25316      0.550872  21.7453     204.073     0           0           
1 1 1 4  23 36 o 23.5072 4.3937  1.22325      0.551622  1.29423      0.535923  14.0908     302.233     5.19424     122.233     
1 1 1 4  23 37 o 10.7645 3.36234 0.247264     0.410568  -0.545196    0.382333  2.41363     114.174     16.3457     114.174     
1 1 1 4  23 38 o 45.3174 3.02827 4.38074      0.705409  4.04331      0.69953   47.1335     49.3854     27.533      49.3854     
1 1 1 4  23 39 f 17.7428 4.50591 0.699657     0.568831  0.759055     0.492248  11.1216     288.871     0           0           
1 1 1 4  23 40 o 12.8822 3.94552 -0.426209    0.511238  0.477919     0.529467  2.39456     245.409     3.068       65.4086     
1 1 1 4  23 41 f 12.433  3.84911 -0.00383729  0.482099  0.206044     0.469921  3.80036     60.5659     0           0           
1 1 1 4  23 42 o 23.1136 4.36109 0.65604      0.618271  2.01239      0.584098  14.4121     101.183     1.14008     281.183     
1 1 1 4  23 43 o 8.79028 3.04289 -0.478991    0.468738  -0.910867    0.463189  0.466034    326.693     1.65321     326.693     
1 1 1 4  23 44 o 16.1289 4.11736 -0.235168    0.524168  1.17284      0.542689  5.6184      169.124     3.97092     349.124     
1 1 1 4  23 45 o 15.8284 4.44136 0.606745     0.550836  0.595733     0.535534  5.54886     343.268     4.4924      163.268     
1 1 1 4  23 46 o 14.3986 4.24187 0.876727     0.594276  -0.331076    0.570429  3.53311     91.3886     8.299       271.389     
1 1 1 4  23 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  24 0  o 15.9123 4.1974  0.632023     0.322278  0.632023     0.322278  3.94943     360         25.6085     360         
1 1 1 4  24 1  o 14.4092 2.95092 -0.0877334   0.285439  0.728931     0.287737  1.38577     17.7121     7.99333     17.7121     
1 1 1 4  24 2  o 80.2015 2.40552 11.5191      0.920808  12.4272      1.07343   70.6514     227.292     9.6581      227.292     
1 1 1 4  24 3  o 67.0671 2.8736  8.91367      0.991045  7.96623      0.994749  46.6483     238.89      16.3688     58.8897     
1 1 1 4  24 4  o 114.003 2.73664 24.8981      1.61287   23.6597      1.61593   95.4644     145.953     1.62769     145.952     
1 1 1 4  24 5  o 38.2878 3.2495  2.69635      0.609047  2.88995      0.655232  33.8526     155.756     12.1078     155.756     
1 1 1 4  24 6  o 71.397  2.66411 9.16486      0.973704  9.90955      0.99067   68.5091     123.33      20.9531     123.33      
1 1 1 4  24 7  o 11.5564 3.47611 -0.0966429   0.354747  0.114335     0.379903  3.71817     106.761     12.2078     106.761     
1 1 1 4  24 8  o 82.1557 2.78145 13.0404      1.11915   12.2644      1.23505   72.1286     32.5208     9.37088     32.5209     
1 1 1 4  24 9  o 62.2917 3.34201 7.79694      1.00756   6.94463      1.12015   45.9498     92.9421     9.42936     272.942     
1 1 1 4  24 10 o 48.547  3.38543 5.11663      0.814758  3.91645      0.846786  35.0847     277.798     7.45291     97.7983     
1 1 1 4  24 11 o 30.2947 4.35907 2.15855      0.67932   1.52613      0.644425  11.2589     269.551     23.7991     89.5505     
1 1 1 4  24 12 o 51.4615 3.11303 4.66033      0.76885   5.41607      0.877125  44.7339     136.357     7.33503     136.357     
1 1 1 4  24 13 o 44.2205 3.39251 4.73152      0.707363  2.88071      0.75959   34.982      161.928     0.0980535   161.927     
1 1 1 4  24 14 o 80.5851 2.99806 12.6909      1.25342   11.8923      1.24176   61.8928     191.761     8.14299     11.7608     
1 1 1 4  24 15 o 42.3265 4.1082  3.07514      0.874868  4.00046      0.862773  27.4193     139.616     12.3573     319.616     
1 1 1 4  24 16 o 50.1908 3.69663 4.47643      0.997682  5.29446      0.870777  44.1138     206.737     8.19461     206.737     
1 1 1 4  24 17 o 12.8943 3.89863 -0.271813    0.534805  0.189727     0.42707   0.980345    260.185     5.16286     80.1854     
1 1 1 4  24 18 o 65.8197 2.95476 7.82462      1.03171   8.6343       0.967131  61.3746     315.663     16.5106     315.663     
1 1 1 4  24 19 o 33.8228 3.64925 2.10893      0.612824  2.38653      0.625089  25.236      50.5002     1.6166      230.5       
1 1 1 4  24 20 o 45.6071 3.28783 3.33048      0.744645  4.76165      0.769438  40.7558     88.9259     9.72058     88.9259     
1 1 1 4  24 21 o 60.8331 3.12273 6.60285      0.908079  7.623        1.04907   48.3795     324.243     0.732329    144.244     
1 1 1 4  24 22 o 17.1928 4.18319 -0.19053     0.467546  1.08605      0.577344  7.15861     17.94       5.01059     197.94      
1 1 1 4  24 23 o 71.3805 3.57016 10.1334      1.29411   9.79332      1.32939   57.3314     97.2124     0.407221    97.2123     
1 1 1 4  24 24 o 31.9155 3.97504 1.98141      0.62635   2.14521      0.640745  20.1318     228.843     8.28043     48.8434     
1 1 1 4  24 25 o 24.5455 3.38328 0.928992     0.428459  1.50494      0.39508   11.0056     139.378     14.2192     319.378     
1 1 1 4  24 26 o 33.3747 3.01479 2.19012      0.515244  2.16266      0.504075  29.0657     346.272     8.43387     346.272     
1 1 1 4  24 27 o 35.0147 2.98156 2.57161      0.536317  2.22425      0.522514  29.8541     78.9671     7.02567     78.9671     
1 1 1 4  24 28 o 32.8423 3.16794 2.52856      0.526323  1.77195      0.510928  22.8722     79.5432     3.91434     259.543     
1 1 1 4  24 29 o 24.882  4.00083 1.60346      0.517488  1.0223       0.499612  16.1915     129.274     3.36844     309.274     
1 1 1 4  24 30 o 17.5692 4.19106 0.465243     0.452909  0.785761     0.465892  7.24939     228.899     8.60964     48.8988     
1 1 1 4  24 31 o 18.4114 4.1534  0.601158     0.457871  0.830036     0.445096  2.64486     262.638     20.8825     82.6377     
1 1 1 4  24 32 o 47.3028 2.88519 5.16634      0.706321  3.74995      0.681924  32.2815     18.8605     8.30946     198.861     
1 1 1 4  24 33 o 16.8913 4.20291 0.665603     0.467718  0.528217     0.44746   8.1791      321.089     5.20716     141.089     
1 1 1 4  24 34 o 16.9414 4.30079 0.501597     0.470078  0.708215     0.495008  9.07393     145.784     0.815674    325.784     
1 1 1 4  24 35 o 17.3348 4.45917 1.01868      0.57692   0.228028     0.520886  8.96796     253.971     0.164408    253.971     
1 1 1 4  24 36 o 29.9005 3.88292 2.32991      0.582818  1.63576      0.570716  22.8111     152.747     3.04922     152.747     
1 1 1 4  24 37 o 29.6863 4.00082 2.01069      0.596405  1.9612       0.589976  28.3813     70.2307     18.4598     70.2307     
1 1 1 4  24 38 o 17.1759 4.01773 1.21827      0.513181  -0.0144381   0.469408  8.74068     160.641     1.36691     340.641     
1 1 1 4  24 39 o 17.3804 4.35327 1.00549      0.52953   0.416175     0.487558  8.65156     223.537     1.38113     43.5365     
1 1 1 4  24 40 o 18.2029 4.61938 1.1385       0.613288  0.539825     0.513774  8.37826     164.382     1.11077     164.382     
1 1 1 4  24 41 o 12.519  3.94278 0.0224634    0.498537  0.145932     0.534623  0.374664    207.603     1.75858     27.6028     
1 1 1 4  24 42 o 16.1096 4.50677 0.747384     0.565175  0.440373     0.562247  5.20563     105.496     2.96143     285.496     
1 1 1 4  24 43 o 11.0211 3.64497 -0.115736    0.529441  -0.285065    0.507195  0.121429    226.521     2.87333     46.5209     
1 1 1 4  24 44 o 17.5964 4.04836 1.54992      0.57066   -0.273267    0.524266  4.57057     145.9       1.9628      145.9       
1 1 1 4  24 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  25 0  o 11.6604 4.15024 0.376252     0.309259  0.376252     0.309259  7.61743     180         28.5554     180         
1 1 1 4  25 1  o 47.5754 2.48322 3.99986      0.593976  4.50846      0.621824  39.7316     87.3154     3.98041     87.3154     
1 1 1 4  25 2  o 45.9701 2.59506 3.8764       0.597985  4.08294      0.628609  32.4464     273.458     8.34716     93.458      
1 1 1 4  25 3  o 19.6197 4.32588 0.639902     0.520878  0.845206     0.464571  7.0608      102.327     9.23175     282.327     
1 1 1 4  25 4  o 23.4703 3.93126 1.82337      0.54278   0.429179     0.481137  14.2222     174.546     4.31088     174.546     
1 1 1 4  25 5  o 75.8365 2.82439 11.5376      1.05683   10.1668      1.14416   69.991      202.944     16.6232     202.944     
1 1 1 4  25 6  o 40.297  3.4306  3.85233      0.660657  2.47832      0.698279  35.8896     252.773     9.57072     252.773     
1 1 1 4  25 7  o 55.8943 3.01248 6.11429      0.822149  5.74967      0.904261  40.4673     233.475     9.22779     53.4748     
1 1 1 4  25 8  o 34.3814 4.06354 1.44876      0.671198  3.39862      0.667078  31.8203     136.383     13.0431     136.383     
1 1 1 4  25 9  o 45.3614 3.84964 4.00095      0.937862  4.01703      0.831263  36.0093     262.934     0.155624    262.934     
1 1 1 4  25 10 o 28.3191 3.80709 1.72816      0.538014  1.4511       0.537886  11.7856     240.357     19.8605     60.3574     
1 1 1 4  25 11 o 34.2841 3.48018 2.07843      0.592412  2.50032      0.605717  30.965      271.394     10.0883     271.394     
1 1 1 4  25 12 o 72.9126 2.74078 10.209       1.03311   9.857        1.03097   60.8878     330.021     3.55227     330.021     
1 1 1 4  25 13 o 14.0891 3.74293 -0.27285     0.418088  0.603798     0.427663  2.64266     256.648     4.68218     76.6485     
1 1 1 4  25 14 o 54.2496 2.95634 6.32502      0.817815  4.92197      0.8202    43.6356     278.13      0.47804     278.13      
1 1 1 4  25 15 o 31.4676 4.08941 1.62915      0.627108  2.37113      0.653141  18.1184     9.93007     12.1278     189.93      
1 1 1 4  25 16 o 43.935  3.47443 3.07391      0.781286  4.49469      0.731803  34.7503     84.7939     0.410384    84.7939     
1 1 1 4  25 17 o 40.581  3.39588 3.52032      0.690472  2.90784      0.702141  23.9381     8.37805     15.9898     188.378     
1 1 1 4  25 18 o 26.1865 4.203   1.37442      0.556274  1.43748      0.558642  14.6168     60.6206     9.46435     240.621     
1 1 1 4  25 19 o 46.2899 3.28078 4.88891      0.771287  3.4966       0.762161  37.9771     67.8437     3.42571     67.8437     
1 1 1 4  25 20 o 58.8619 3.06169 8.03158      0.923493  5.44301      0.904674  47.4534     291.146     1.63479     291.146     
1 1 1 4  25 21 o 54.7332 3.55625 6.33814      0.881261  5.45354      1.07548   37.3603     280.382     11.7395     100.382     
1 1 1 4  25 22 o 29.2589 5.30676 1.56841      0.664823  2.2187       0.955885  11.4245     43.7055     21.2866     223.705     
1 1 1 4  25 23 f 25.5384 5.25981 1.56469      0.728902  1.29561      0.755283  26.5037     344.055     0           0           
1 1 1 4  25 24 o 25.8523 4.83801 1.45898      0.662858  1.43501      0.653832  18.2389     178.63      0.0895146   178.63      
1 1 1 4  25 25 o 19.0555 4.72668 0.649906     0.606736  0.800652     0.554913  2.4723      126.852     21.9656     306.852     
1 1 1 4  25 26 o 25.9202 3.6486  1.57056      0.441965  1.19862      0.499593  18.5723     215.834     0.102847    35.8343     
1 1 1 4  25 27 o 47.5088 2.72236 4.1813       0.666417  4.60195      0.661185  34.5518     115.652     4.38622     295.652     
1 1 1 4  25 28 f 40.9869 3.09496 2.96045      0.644588  3.74739      0.639658  30.3196     229.971     0           0           
1 1 1 4  25 29 o 6.35741 2.19584 -0.805457    0.297027  -0.251391    0.208711  0.698308    123.906     2.00731     123.906     
1 1 1 4  25 30 o 22.0013 4.17442 1.24952      0.483527  0.893861     0.500244  17.7217     161.332     7.63696     161.332     
1 1 1 4  25 31 o 17.1013 4.0215  0.93969      0.455593  0.249731     0.442396  7.66063     346.499     6.82824     166.499     
1 1 1 4  25 32 o 18.9607 3.85313 0.110647     0.45631   1.39015      0.489435  12.2721     164.869     3.98251     164.869     
1 1 1 4  25 33 o 13.5387 3.89252 0.0956308    0.440368  0.4064       0.432628  1.06703     243.474     0.500774    63.4737     
1 1 1 4  25 34 o 48.4106 3.30149 4.33158      0.785327  5.50252      0.847194  41.326      312.079     10.3617     312.079     
1 1 1 4  25 35 o 25.5458 4.44678 2.06747      0.589805  1.07909      0.631465  16.4936     272.458     2.3787      92.4579     
1 1 1 4  25 36 o 16.6283 4.01298 1.36107      0.577754  -0.587957    0.513707  7.57659     333.103     3.65674     153.103     
1 1 1 4  25 37 o 10.2613 3.41127 -0.397214    0.490052  -0.200671    0.443264  0.0269371   171.232     1.8348      171.232     
1 1 1 4  25 38 o 14.0052 3.88289 -0.718266    0.511463  0.877629     0.513108  2.03077     335.652     1.58283     155.652     
1 1 1 4  25 39 o 14.195  4.25611 0.159934     0.57508   0.456098     0.528539  1.17251     325.852     1.3697      145.852     
1 1 1 4  25 40 o 13.2193 4.08863 0.343351     0.555536  0.0179312    0.51472   1.45245     176.971     3.48915     356.971     
1 1 1 4  25 41 o 11.1295 3.75004 -0.289574    0.66281   -0.377909    0.517538  0.119795    356.103     2.00067     176.103     
1 1 1 4  25 42 o 19.5294 5.36812 1.18791      0.738662  1.18181      0.826231  10.9112     123.703     1.77381     123.703     
1 1 1 4  25 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  26 0  o 35.5744 2.88898 2.44284      0.514531  2.44284      0.514531  41.411      7.17326e-10 24.9598     7.17326e-10 
1 1 1 4  26 1  o 73.328  2.39196 10.3521      0.906102  9.81479      0.906835  75.8984     60.774      33.84       60.774      
1 1 1 4  26 2  o 14.3594 3.60686 0.349681     0.335002  0.35476      0.339013  2.79268     114.324     8.57001     294.324     
1 1 1 4  26 3  o 12.4042 3.63281 -0.157917    0.400515  0.267766     0.393336  0.654773    32.7353     4.46863     212.735     
1 1 1 4  26 4  o 77.8709 2.72197 12.409       1.09813   10.5202      1.08732   59.6515     64.307      6.67604     244.307     
1 1 1 4  26 5  o 23.6483 3.98139 1.75902      0.495665  0.477271     0.5526    9.7708      165.216     15.3375     345.216     
1 1 1 4  26 6  o 12.5425 3.75401 0.14509      0.395723  -0.0673414   0.457423  3.02071     231.48      20.4819     231.48      
1 1 1 4  26 7  o 85.7905 2.84924 15.5243      1.20741   12.4485      1.29453   79.3113     231.464     20.154      231.464     
1 1 1 4  26 8  o 82.5508 3.00152 14.3657      1.31408   11.6493      1.24162   83.7247     318.31      34.6935     318.31      
1 1 1 4  26 9  o 14.1612 4.12855 -0.180336    0.505089  0.395205     0.515242  1.61731     245.356     11.8434     65.3559     
1 1 1 4  26 10 o 36.4639 3.47689 3.23861      0.638294  2.02674      0.61517   28.0313     240.779     0.111304    60.7801     
1 1 1 4  26 11 o 27.1903 3.99777 1.66683      0.542842  1.32826      0.547562  19.3193     219.03      0.960131    39.0304     
1 1 1 4  26 12 o 41.9068 3.26042 3.61995      0.691782  3.20228      0.698076  26.4136     207.168     12.9513     27.1677     
1 1 1 4  26 13 o 13.0754 3.85934 0.115192     0.435845  0.114397     0.435646  1.29217     123.462     8.14229     303.462     
1 1 1 4  26 14 o 79.1771 2.94673 12.9062      1.14631   11.1221      1.24713   66.1092     241.486     5.69318     241.486     
1 1 1 4  26 15 o 9.92803 3.27511 -0.282506    0.414769  -0.413585    0.414908  2.47074     108.398     11.463      108.398     
1 1 1 4  26 16 o 71.9572 2.83693 10.5973      1.05378   9.23778      1.0502    67.7541     264.177     21.4713     264.177     
1 1 1 4  26 17 o 47.8998 3.15739 4.30257      0.772186  4.61978      0.776916  41.4767     182.769     8.50155     182.769     
1 1 1 4  26 18 o 26.2129 4.29024 1.52773      0.56751   1.34152      0.576349  8.67056     343.719     21.7945     163.719     
1 1 1 4  26 19 o 40.1795 3.49562 3.41637      0.714873  2.99452      0.707782  23.9225     353.494     14.246      173.494     
1 1 1 4  26 20 f 69.5999 3.10346 9.10808      1.03814   9.73092      1.18809   56.8658     60.7664     0           0           
1 1 1 4  26 21 o 19.8934 4.93753 0.677259     0.57651   0.943745     0.684394  11.6964     39.2147     0.432988    219.215     
1 1 1 4  26 22 o 29.5056 4.66506 0.800659     0.768529  3.07929      0.748223  20.6259     140.533     2.0605      320.533     
1 1 1 4  26 23 o 40.9841 4.12782 3.88739      0.838725  3.11327      0.851945  32.0399     27.7833     1.62681     27.7833     
1 1 1 4  26 24 o 15.2909 4.05248 0.953637     0.569767  -0.647983    0.493514  6.29947     332.982     2.58721     152.982     
1 1 1 4  26 25 o 37.5718 4.16697 4.0256       0.829197  2.09265      0.712672  32.8116     217.459     9.40423     217.459     
1 1 1 4  26 26 o 49.0302 3.4277  4.8127       0.854917  4.96477      0.864574  39.971      317.12      4.87557     317.12      
1 1 1 4  26 27 o 16.937  4.50933 1.0696       0.642953  -0.106267    0.54226   9.02073     123.07      1.91061     303.07      
1 1 1 4  26 28 o 10.0655 3.15612 0.115015     0.343189  -0.31871     0.336906  0.272716    255.167     1.84992     75.1665     
1 1 1 4  26 29 o 22.9131 3.87492 1.2495       0.466676  1.05428      0.442425  16.3261     10.4247     1.57486     10.4247     
1 1 1 4  26 30 o 15.5168 3.94499 0.355066     0.425162  0.609409     0.399597  4.77862     342.207     0.329231    342.207     
1 1 1 4  26 31 o 29.3692 3.75505 2.97676      0.563154  0.985587     0.519831  20.6705     252.885     0.520417    72.8855     
1 1 1 4  26 32 o 12.7945 3.58253 -0.312859    0.40626   0.56147      0.402024  2.32689     313.143     4.89314     133.143     
1 1 1 4  26 33 o 17.2467 4.30165 0.854774     0.490875  0.498375     0.484329  5.98064     312.087     9.69877     132.087     
1 1 1 4  26 34 f 13.4559 3.97543 0.332231     0.491353  0.197064     0.434     15.7855     9.48929     0           0           
1 1 1 4  26 35 o 11.6132 3.57597 -0.426714    0.450542  0.337876     0.424706  0.306891    315.59      8.26472     135.59      
1 1 1 4  26 36 o 8.87535 2.99589 -1.00083     0.423889  -0.0907702   0.39142   2.39186     156.037     8.87205     156.037     
1 1 1 4  26 37 o 9.4379  3.16571 0.022699     0.450491  -0.931567    0.4013    1.32844     263.853     5.50236     263.853     
1 1 1 4  26 38 o 8.90056 3.04671 -0.606316    0.443869  -0.430317    0.422378  1.59253     335.143     6.12675     335.143     
1 1 1 4  26 39 o 9.49418 3.20611 -0.846596    0.447141  -0.0858428   0.456954  0.370641    31.3799     2.25533     31.3798     
1 1 1 4  26 40 o 12.6445 3.95196 0.386869     0.515209  -0.235104    0.547469  2.02401     355.492     5.00763     175.492     
1 1 1 4  26 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  27 0  o 38.0093 2.71082 2.77118      0.520657  2.77118      0.520657  43.6828     360         26.1506     360         
1 1 1 4  27 1  o 28.0751 3.0991  1.85543      0.427931  1.25205      0.431159  21.8563     78.7572     2.94532     78.7572     
1 1 1 4  27 2  o 21.014  3.9391  0.939696     0.389045  0.849168     0.488935  9.18291     135.716     10.9553     315.716     
1 1 1 4  27 3  o 9.71739 3.13457 -0.138265    0.345247  -0.264025    0.357084  0.43068     286.292     2.20959     286.292     
1 1 1 4  27 4  f 69.3576 2.88571 8.84674      0.98823   9.55119      1.07784   40.2445     168.22      0           0           
1 1 1 4  27 5  o 55.6496 3.00093 5.97034      0.828879  5.93292      0.887853  40.322      221.487     7.30643     41.4868     
1 1 1 4  27 6  o 34.1688 3.58277 2.2755       0.614105  2.34943      0.616543  20.0247     31.4797     12.3521     211.48      
1 1 1 4  27 7  o 21.6882 4.2331  0.687026     0.495833  1.25099      0.51195   14.0236     131.433     0.322908    131.432     
1 1 1 4  27 8  o 16.4508 4.46066 0.402461     0.519777  0.44848      0.546084  4.04672     124.658     0.333244    304.658     
1 1 1 4  27 9  o 13.9209 3.93879 0.430461     0.410684  -0.193712    0.525343  2.33195     165.232     3.45828     345.232     
1 1 1 4  27 10 o 44.691  3.28532 4.41126      0.769671  3.41854      0.724581  44.2584     345.805     20.2743     345.805     
1 1 1 4  27 11 o 51.8342 3.17159 5.58747      0.867826  4.86619      0.819228  52.1984     101.501     24.287      101.501     
1 1 1 4  27 12 o 28.7688 4.10109 2.43478      0.606978  1.06592      0.58108   11.4531     292.084     20.4101     112.084     
1 1 1 4  27 13 o 41.7034 3.5876  3.19417      0.778932  3.72336      0.728331  30.9585     14.6826     2.19162     194.683     
1 1 1 4  27 14 o 51.9202 3.66967 5.34529      1.01481   5.37965      0.93081   44.4002     327.851     8.29575     327.851     
1 1 1 4  27 15 o 61.0773 3.33968 6.87499      1.12456   7.77103      0.945408  51.3881     301.668     7.38334     301.668     
1 1 1 4  27 16 o 52.203  3.27245 5.81793      0.913369  4.9127       0.839203  50.0643     350.086     19.7058     350.086     
1 1 1 4  27 17 o 14.7729 4.14588 0.525644     0.481038  -0.0533358   0.518471  4.47408     23.6647     5.52736     203.665     
1 1 1 4  27 18 f 25.5007 4.66408 1.15684      0.580244  1.69695      0.669371  12.9321     262.249     0           0           
1 1 1 4  27 19 o 13.5891 4.08886 0.332174     0.466597  -0.370622    0.619698  3.35853     46.0852     5.75964     226.085     
1 1 1 4  27 20 o 22.9987 4.94499 1.65143      0.633595  0.551967     0.806839  6.42619     194.018     20.6009     14.0184     
1 1 1 4  27 21 o 12.3558 3.95636 -0.189236    0.528599  -0.122785    0.560524  1.46982     225.811     9.53071     45.8109     
1 1 1 4  27 22 o 18.4962 4.86686 0.625959     0.597885  0.771576     0.649539  9.16922     168.663     5.63318     348.664     
1 1 1 4  27 23 o 21.4232 5.00946 0.747589     0.621211  1.36745      0.695906  14.6883     252.947     1.26471     252.947     
1 1 1 4  27 24 o 12.0012 3.836   -0.378013    0.550884  0.0470462    0.490866  2.26043     86.2119     2.75574     266.212     
1 1 1 4  27 25 o 19.3027 4.84731 1.03779      0.634811  0.633985     0.595699  11.6969     346.959     0.732896    166.959     
1 1 1 4  27 26 o 19.5188 4.81047 0.693013     0.598028  1.05343      0.61057   7.47592     153.912     11.4339     333.912     
1 1 1 4  27 27 o 24.0862 5.34199 0.903156     0.755186  2.05727      0.810302  14.8106     19.9609     3.14134     199.961     
1 1 1 4  27 28 o 14.4243 4.42282 -0.03688     0.564878  0.433872     0.663423  2.8807      213.236     9.73139     33.2358     
1 1 1 4  27 29 o 13.9978 4.25546 0.348509     0.554108  0.0400435    0.571877  3.45608     153.936     5.78651     333.936     
1 1 1 4  27 30 f 24.3833 4.06769 1.48512      0.484471  1.24526      0.530995  15.6576     86.3576     0           0           
1 1 1 4  27 31 o 11.3715 3.38682 -0.178391    0.385335  0.294102     0.340417  0.562086    179.69      1.61847     359.69      
1 1 1 4  27 32 o 17.0145 4.17649 0.489453     0.47657   0.838131     0.449021  7.7476      14.2542     0.287248    14.2542     
1 1 1 4  27 33 o 11.888  3.6602  -0.133986    0.458393  0.245504     0.412518  0.167343    355.119     0.742468    175.119     
1 1 1 4  27 34 o 19.5364 4.10455 0.432102     0.510116  1.37501      0.486611  8.19926     157.308     2.86896     157.308     
1 1 1 4  27 35 o 10.6352 3.41704 -0.408117    0.436483  0.118628     0.415479  1.52782     232.521     9.6538      232.521     
1 1 1 4  27 36 o 9.91297 3.28913 -0.32555     0.459468  -0.178629    0.399693  0.690422    178.225     4.44568     178.225     
1 1 1 4  27 37 o 15.0989 4.04672 1.02926      0.533638  -0.229718    0.477832  3.44214     183.292     0.538549    3.29195     
1 1 1 4  27 38 o 13.5095 3.9344  0.777587     0.523687  -0.493687    0.498688  3.22173     106.572     3.23787     286.572     
1 1 1 4  27 39 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  28 0  o 9.08712 3.766   0.19242      0.297885  0.19242      0.297885  5.4271      2.23137e-05 19.2907     2.23137e-05 
1 1 1 4  28 1  o 47.78   2.53944 4.1221       0.605715  4.59982      0.643037  37.9415     84.0257     1.98506     84.0257     
1 1 1 4  28 2  o 33.3373 3.7868  3.1886       0.632633  1.44415      0.587657  30.7177     228.722     13.1794     228.722     
1 1 1 4  28 3  o 20.8136 4.30415 0.685809     0.494456  1.1145       0.509704  13.1233     53.4155     3.92643     53.4155     
1 1 1 4  28 4  o 12.6092 3.7598  0.0688038    0.415656  0.112242     0.424695  0.531744    20.935      14.0615     20.935      
1 1 1 4  28 5  o 26.2793 4.22602 1.03073      0.552829  1.8903       0.58931   21.4243     339.899     7.40913     339.899     
1 1 1 4  28 6  o 19.0376 3.71346 1.44062      0.492342  -0.294888    0.509597  9.75022     155.93      3.26501     155.93      
1 1 1 4  28 7  o 8.6857  2.92318 -0.315147    0.348018  -0.562532    0.380744  1.94324     181.949     7.29511     181.949     
1 1 1 4  28 8  o 60.8558 3.44845 7.54762      1.06725   7.0721       1.08806   52.9611     32.8966     11.2931     32.8966     
1 1 1 4  28 9  o 25.7778 4.38054 0.623646     0.553913  2.31663      0.691411  18.3908     115.339     0.583997    115.34      
1 1 1 4  28 10 o 11.3991 3.56926 0.0229746    0.399299  -0.20277     0.444665  2.21434     221.909     16.3448     221.909     
1 1 1 4  28 11 o 37.6451 3.60556 3.19291      0.665909  2.53346      0.690725  27.554      130.921     1.89437     310.921     
1 1 1 4  28 12 o 21.0113 4.57525 0.99671      0.539357  0.893295     0.557064  13.4211     55.5712     0.263754    235.571     
1 1 1 4  28 13 o 16.9868 4.4155  0.446219     0.484178  0.636939     0.538524  7.41266     84.0546     5.59785     264.055     
1 1 1 4  28 14 o 39.6784 3.84097 3.22668      0.763907  3.23995      0.774619  30.4277     99.1522     0.769937    99.1521     
1 1 1 4  28 15 o 25.833  4.25151 0.805841     0.568619  2.13498      0.603911  17.059      73.0743     2.94495     253.074     
1 1 1 4  28 16 o 22.6707 4.55436 1.02504      0.5553    1.24458      0.568399  17.8279     292.841     7.48596     292.841     
1 1 1 4  28 17 o 20.86   4.58101 1.12368      0.547093  0.786929     0.562053  13.7641     15.3583     0.235438    15.3584     
1 1 1 4  28 18 o 41.0532 4.17975 3.25516      0.745613  3.95338      0.97924   43.4299     328.416     26.6149     328.416     
1 1 1 4  28 19 o 17.192  4.79461 0.631377     0.578476  0.419455     0.698631  4.36824     313.31      14.398      133.311     
1 1 1 4  28 20 o 27.8323 4.93554 1.54405      0.694578  2.08666      0.734804  21.6592     25.8292     3.75552     25.8291     
1 1 1 4  28 21 o 26.8853 4.91749 1.84377      0.645957  1.55069      0.74827   14.7272     136.432     9.37783     316.432     
1 1 1 4  28 22 o 32.5336 4.75495 2.2607       0.759485  2.62709      0.791872  24.9231     91.2287     2.7215      91.2287     
1 1 1 4  28 23 o 22.9392 4.69766 2.06005      0.690496  0.355865     0.696117  13.1066     77.3731     5.10219     257.373     
1 1 1 4  28 24 o 13.6132 4.18577 -0.0270217   0.5816    0.258214     0.533767  2.68011     323.059     2.69152     143.059     
1 1 1 4  28 25 f 10.3257 3.48921 -0.459144    0.556142  -0.515459    0.489444  6.72417     93.0221     0           0           
1 1 1 4  28 26 o 18.0238 4.76693 0.130347     0.7057    1.16073      0.628682  4.07954     141.308     15.4471     321.308     
1 1 1 4  28 27 f 12.4504 4.07273 -0.0245677   0.624794  -0.369438    0.621884  4.53767     193.821     0           0           
1 1 1 4  28 28 o 14.4489 4.30667 0.617697     0.578979  -0.144732    0.581762  3.49763     145.121     8.78191     325.121     
1 1 1 4  28 29 o 34.5576 4.6916  2.98391      0.811065  2.84566      0.808576  21.7227     244.251     6.09445     64.2511     
1 1 1 4  28 30 o 21.9053 4.63696 2.07985      0.688134  0.307952     0.665705  9.99536     115.026     8.7272      295.026     
1 1 1 4  28 31 o 17.5125 4.80103 0.999882     0.635324  0.468317     0.643977  6.72979     193.981     1.78064     13.981      
1 1 1 4  28 32 o 12.5617 3.74638 0.245531     0.408718  0.161355     0.427828  0.707639    22.7126     5.83612     202.713     
1 1 1 4  28 33 o 21.0378 4.26193 1.00856      0.51821   1.17746      0.467667  12.767      41.5818     2.87427     41.5818     
1 1 1 4  28 34 o 18.9831 4.31302 0.746846     0.508655  1.06898      0.475317  8.6471      34.5244     3.08224     34.5244     
1 1 1 4  28 35 o 14.1948 3.68631 1.01228      0.486548  -0.567359    0.420438  3.08951     225.134     1.06658     45.1337     
1 1 1 4  28 36 o ?       ?       ?            ?         ?            ?         7.04393     140.325     0           0           
1 1 1 4  28 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  29 0  o 12.2411 4.21698 0.428122     0.314752  0.428122     0.314752  0.795148    360         14.2511     180         
1 1 1 4  29 1  o 21.4089 3.99167 0.846967     0.406074  1.09981      0.493541  12.2475     341.209     4.92889     161.209     
1 1 1 4  29 2  o 11.6123 3.64037 0.0437391    0.389818  -0.233366    0.496348  1.63458     201.299     16.1768     201.299     
1 1 1 4  29 3  o 60.9055 3.05825 6.95981      0.984868  7.62002      0.927285  52.6064     304.434     11.2921     304.434     
1 1 1 4  29 4  o 38.2801 3.70129 2.76848      0.706969  3.22007      0.720346  31.0319     326.369     4.57467     326.369     
1 1 1 4  29 5  o 24.1061 4.45807 1.60779      0.579559  0.931105     0.573962  20.0381     297.711     10.1448     297.711     
1 1 1 4  29 6  o 18.0451 4.27446 1.07328      0.526191  0.146036     0.515634  6.95377     318.581     3.12205     318.581     
1 1 1 4  29 7  f 19.9614 4.51552 1.07741      0.532158  0.611535     0.554061  12.0227     195.521     0           0           
1 1 1 4  29 8  o 19.0463 4.54659 1.33734      0.617436  -0.153651    0.660033  11.2909     153.221     1.03508     333.221     
1 1 1 4  29 9  o 54.9927 3.28909 6.1274       0.887838  5.97536      0.965795  44.9765     219.371     5.71331     219.371     
1 1 1 4  29 10 o 17.7752 4.36405 0.196634     0.49357   1.03776      0.558842  8.53926     192.828     3.36214     192.828     
1 1 1 4  29 11 o 19.0433 4.23165 1.29638      0.533479  0.0760802    0.557812  1.98313     330.461     23.1        150.461     
1 1 1 4  29 12 o 15.9544 4.32137 0.449581     0.48887   0.469459     0.510753  7.3752      211.115     0.452369    211.115     
1 1 1 4  29 13 o 30.0462 4.36684 1.64172      0.625742  2.35524      0.691998  22.2771     321.956     0.829576    321.956     
1 1 1 4  29 14 o 59.7265 3.27776 6.9313       1.02523   7.52869      0.983682  46.7808     229.519     2.33643     229.519     
1 1 1 4  29 15 o 42.9206 3.5275  4.13427      0.765014  3.50367      0.76858   34.1356     321.218     3.80732     321.218     
1 1 1 4  29 16 o 28.4298 4.70601 2.11949      0.642515  1.59567      0.732091  23.8759     118.919     8.09602     118.919     
1 1 1 4  29 17 o 14.6855 4.32361 0.449269     0.483531  -0.0455214   0.666966  2.00724     232.525     0.0490678   232.525     
1 1 1 4  29 18 o 28.9262 5.17216 1.60748      0.701014  2.50833      0.861189  23.3968     34.7318     6.79758     34.7318     
1 1 1 4  29 19 o 38.345  4.32468 3.06214      0.814021  3.51785      0.846215  36.4084     246.499     17.7966     246.499     
1 1 1 4  29 20 o 15.8268 4.44753 0.683067     0.536919  0.141741     0.605997  5.8529      280.268     2.82758     100.268     
1 1 1 4  29 21 o 19.9306 5.05808 1.02053      0.652571  0.921152     0.679152  9.8359      222.756     5.41741     42.7555     
1 1 1 4  29 22 o 9.34643 3.21463 -0.766815    0.472328  -0.56218     0.513842  6.4392      130.441     22.4417     130.441     
1 1 1 4  29 23 o 12.6078 3.82632 0.69835      0.577737  -1.19249     0.474654  2.01153     113.973     5.69237     293.973     
1 1 1 4  29 24 o 39.3979 4.39979 5.01946      0.903143  2.37938      0.783598  29.2666     106.054     1.37763     106.054     
1 1 1 4  29 25 o 23.3237 5.26489 1.54331      0.755992  1.39669      0.68051   15.7847     1.2104      1.97488     1.21039     
1 1 1 4  29 26 o 21.6715 5.10696 1.9694       0.759558  0.474985     0.765851  12.5002     178.227     1.94618     358.227     
1 1 1 4  29 27 o 33.7082 4.75643 2.99491      0.747652  2.62696      0.850112  30.834      335.336     16.9911     335.336     
1 1 1 4  29 28 f 13.8576 4.15595 0.694872     0.578262  -0.445542    0.561856  13.4789     124.391     0           0           
1 1 1 4  29 29 o 10.2481 3.44491 -0.077663    0.514813  -0.860749    0.504008  0.718933    72.7996     4.35008     72.7996     
1 1 1 4  29 30 o 10.8582 3.63108 -0.109193    0.542785  -0.624944    0.55183   0.524495    149.22      6.13212     149.22      
1 1 1 4  29 31 o 13.8715 4.34281 0.123574     0.593513  0.322687     0.641637  2.56461     165.572     3.44229     345.572     
1 1 1 4  29 32 o 15.299  4.50265 0.998924     0.671357  -0.174918    0.596406  4.99111     76.8487     3.6021      256.849     
1 1 1 4  29 33 o 16.9849 4.69933 0.0871255    0.650119  1.2297       0.665889  6.20602     84.8754     7.3699      264.875     
1 1 1 4  29 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  30 0  o 10.4527 4.02622 0.310931     0.308941  0.310931     0.308941  0.521922    360         13.4762     360         
1 1 1 4  30 1  o 35.9209 3.5429  2.70132      0.640092  2.64551      0.643286  30.2333     124.46      7.4283      124.46      
1 1 1 4  30 2  o 18.6848 4.3303  0.784877     0.483026  0.737931     0.484979  4.24244     62.3148     17.5731     242.315     
1 1 1 4  30 3  o 38.8379 3.61306 2.80601      0.7141    3.47561      0.691756  30.0318     141.29      2.1025      141.29      
1 1 1 4  30 4  o 28.9735 4.17716 2.52732      0.640213  1.23051      0.581321  25.0847     133.93      9.25844     133.93      
1 1 1 4  30 5  o 10.6878 3.429   0.0063834    0.425212  -0.335899    0.408376  0.489373    119.022     1.54157     299.022     
1 1 1 4  30 6  f 9.93853 3.22462 -0.84714     0.394062  0.104605     0.416355  9.10362     200.621     0           0           
1 1 1 4  30 7  f 20.1351 4.70688 0.388198     0.686957  1.30698      0.580277  9.25661     292.645     0           0           
1 1 1 4  30 8  o 14.2207 4.39654 0.0357831    0.579485  0.190355     0.648923  3.18884     3.25428     10.0518     183.254     
1 1 1 4  30 9  o 12.5377 3.76122 0.42121      0.461776  -0.515042    0.481693  0.505428    31.7287     13.0827     211.729     
1 1 1 4  30 10 o 15.4334 4.3667  0.246405     0.49171   0.559569     0.571063  6.03288     19.5219     4.11029     199.522     
1 1 1 4  30 11 o 29.8827 4.41979 2.98976      0.662064  1.16696      0.699679  25.0255     102.946     8.32452     102.946     
1 1 1 4  30 12 o 21.8703 4.86859 1.23017      0.584911  1.0477       0.659051  11.0026     290.499     7.492       110.499     
1 1 1 4  30 13 o 33.8431 4.51263 2.47544      0.687015  2.74921      0.836059  23.8009     297.814     1.30712     117.814     
1 1 1 4  30 14 o 12.3266 3.84909 0.253727     0.479547  -0.419606    0.539565  0.290888    299.683     11.3225     119.683     
1 1 1 4  30 15 o 37.6324 4.10091 2.3096       0.692699  4.07376      0.843925  35.2496     304.11      17.0661     304.11      
1 1 1 4  30 16 o 11.1703 3.68423 -0.142867    0.447231  -0.467959    0.612659  0.306838    38.7074     5.28808     218.707     
1 1 1 4  30 17 o 17.734  4.86483 0.904116     0.609471  0.415472     0.723204  3.94706     323.39      14.977      143.39      
1 1 1 4  30 18 o 11.3736 3.73656 -0.455076    0.5051    -0.0454479   0.557668  0.445531    197.33      2.04106     17.3304     
1 1 1 4  30 19 f 29.8177 4.91331 1.98015      0.704792  2.42203      0.787418  22.6815     3.31218     0           0           
1 1 1 4  30 20 f 12.4707 3.91615 0.264312     0.495831  -0.357912    0.565386  7.1275      352.134     0           0           
1 1 1 4  30 21 o 15.0011 4.48914 0.0373101    0.577543  0.646829     0.648694  3.49588     26.9544     0.744134    206.954     
1 1 1 4  30 22 o 54.0737 4.00689 7.23334      1.08804   6.03588      1.10844   53.082      140.784     27.9809     140.784     
1 1 1 4  30 23 o 18.2289 4.88912 1.10779      0.671839  0.539639     0.62451   8.06397     124.01      0.214447    304.01      
1 1 1 4  30 24 o 14.9372 4.43734 -0.0698399   0.64928   0.675954     0.586009  2.8778      220.37      8.13175     40.3702     
1 1 1 4  30 25 o 28.6179 5.54805 3.15657      0.985661  1.58071      0.742787  22.8074     112.436     12.3418     112.436     
1 1 1 4  30 26 o 15.8831 4.6925  0.559285     0.600247  0.460755     0.698384  4.43958     98.4808     2.96259     278.481     
1 1 1 4  30 27 o 15.564  4.54663 0.532517     0.591097  0.483513     0.601465  1.37296     266.1       0.200496    86.0996     
1 1 1 4  30 28 o 17.1399 4.11209 1.54388      0.606972  -0.665054    0.573589  6.39563     21.4203     1.00363     21.4203     
1 1 1 4  30 29 o 19.9952 5.15113 1.13868      0.69643   1.18531      0.688893  10.3654     270.552     2.90547     90.5516     
1 1 1 4  30 30 o 10.5006 3.54728 -0.28469     0.539986  -0.52808     0.547664  0.195175    156.535     4.0671      336.535     
1 1 1 4  30 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  31 0  o 11.2582 4.72294 0.341126     0.47862   0.341126     0.47862   0.522991    180         4.98441     9.06159e-05 
1 1 1 4  31 1  o 25.2438 4.07107 1.61554      0.518007  1.24396      0.527586  15.0421     276.759     4.67938     96.759      
1 1 1 4  31 2  o 10.6596 3.38849 -0.271684    0.4006    0.0559159    0.395491  0.0430027   129.768     4.05542     129.768     
1 1 1 4  31 3  o 26.9015 4.2329  1.07951      0.583221  2.27033      0.596763  18.7824     273.865     0.668792    273.865     
1 1 1 4  31 4  o 15.6477 4.19858 0.184551     0.47713   0.729335     0.499021  5.30573     253.112     1.28377     73.112      
1 1 1 4  31 5  o 15.5782 4.31457 0.419626     0.516699  0.498427     0.498409  4.49191     18.5964     8.38517     198.596     
1 1 1 4  31 6  o 16.7916 4.49532 0.75419      0.553089  0.422113     0.533064  7.16309     294.029     0.979022    114.029     
1 1 1 4  31 7  o 15.7258 4.43412 0.382226     0.54722   0.535287     0.544155  5.26162     107.907     1.04745     287.907     
1 1 1 4  31 8  o 29.1892 5.42961 2.70707      0.858039  1.71756      0.845144  25.576      300.768     13.8012     300.768     
1 1 1 4  31 9  o 9.76854 3.26389 -0.151786    0.444972  -0.643221    0.436537  0.696206    37.5422     5.52951     37.5422     
1 1 1 4  31 10 f 33.9194 4.50381 3.4151       0.729166  1.99341      0.773101  21.3877     166.91      0           0           
1 1 1 4  31 11 o 21.6682 4.79262 1.06223      0.560715  1.26276      0.635094  14.7675     333.702     5.96861     333.702     
1 1 1 4  31 12 o 19.2769 4.78299 0.524262     0.543341  1.30208      0.669794  7.22222     217.229     10.5024     37.2285     
1 1 1 4  31 13 o 14.7972 4.30006 0.630286     0.531997  -0.0706076   0.599435  1.94449     93.7993     0.114482    273.799     
1 1 1 4  31 14 o 45.1776 4.02942 4.70866      0.888278  4.4536       0.950107  39.0839     206.498     12.7225     206.498     
1 1 1 4  31 15 o 11.8612 3.89771 -0.171204    0.504872  -0.234321    0.646871  0.880785    237.272     2.73933     57.2717     
1 1 1 4  31 16 o 16.8878 4.82663 0.764141     0.614652  0.44041      0.723965  6.87538     321.126     0.960167    141.126     
1 1 1 4  31 17 o 24.1255 4.7886  0.746944     0.669804  2.28096      0.712321  16.8049     93.221      3.6498      93.221      
1 1 1 4  31 18 o 22.9559 4.87089 1.89818      0.650737  0.806736     0.733812  14.3496     60.5222     0.613079    60.5223     
1 1 1 4  31 19 o 23.3061 4.53756 2.25156      0.65553   0.404467     0.728999  14.9107     13.1008     1.64846     13.1008     
1 1 1 4  31 20 o 25.6388 5.15635 1.30432      0.669874  2.28852      0.792443  18.2758     282.973     8.61286     282.973     
1 1 1 4  31 21 o 22.5098 5.11996 1.90304      0.726327  0.849671     0.725402  12.1622     257.036     3.1562      77.0355     
1 1 1 4  31 22 o 37.6528 4.96298 4.84714      0.918848  2.5025       0.918547  33.6558     338.056     16.3975     338.056     
1 1 1 4  31 23 o 16.6435 4.90519 0.544601     0.686486  0.728647     0.719224  5.00357     33.2357     0.613288    213.236     
1 1 1 4  31 24 o 35.5188 4.9566  3.61294      0.933569  2.96616      0.828247  30.7106     152.554     13.6034     152.554     
1 1 1 4  31 25 o 11.9334 4.00907 -0.55747     0.722291  -0.155631    0.639618  0.855       323.749     3.19839     143.749     
1 1 1 4  31 26 o 27.5581 5.10869 2.23969      0.740131  1.93414      0.741453  16.334      218.62      4.25303     38.6204     
1 1 1 4  31 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  32 0  o 27.9339 6.69225 2.19424      0.867359  2.19424      0.867359  23.5296     180         5.53326     180         
1 1 1 4  32 1  o 28.7838 4.74508 1.89515      0.838796  2.15729      0.567593  23.006      284.292     7.34512     284.292     
1 1 1 4  32 2  o 14.9178 4.01304 0.700169     0.456099  0.113392     0.454054  4.76414     137.168     5.67751     317.168     
1 1 1 4  32 3  o 10.3425 3.3602  -0.108997    0.420782  -0.203134    0.402858  0.294067    283.055     6.0825      283.055     
1 1 1 4  32 4  o 25.1442 4.46982 1.29556      0.573934  1.75928      0.597766  16.0114     95.739      1.67769     275.739     
1 1 1 4  32 5  o 25.2011 4.67097 1.73943      0.61853   1.39808      0.623419  14.0943     112.781     5.96522     292.781     
1 1 1 4  32 6  o 31.2977 4.50879 2.55813      0.730723  2.1247       0.683416  23.0345     21.0907     2.77067     21.0907     
1 1 1 4  32 7  o 13.0102 3.95502 0.447038     0.52027   -0.20336     0.477361  2.02893     42.1583     4.91339     222.158     
1 1 1 4  32 8  o 25.0337 5.50457 2.24077      0.842066  1.28556      0.784599  17.5195     299.132     3.68098     299.132     
1 1 1 4  32 9  o 16.2039 4.35894 -0.0969301   0.547567  1.05507      0.587456  5.62043     99.0571     1.57086     279.057     
1 1 1 4  32 10 o 22.1134 4.97992 1.55869      0.657847  1.00326      0.657654  10.3544     210.533     5.79192     210.533     
1 1 1 4  32 11 o 15.2695 4.4236  0.550632     0.53875   0.309351     0.591588  3.93668     216.035     5.78042     36.0347     
1 1 1 4  32 12 o 22.8287 4.8903  1.68847      0.612436  1.00453      0.724911  14.6763     350.66      3.96559     350.66      
1 1 1 4  32 13 o 18.7808 4.9533  0.753899     0.588951  1.07807      0.704109  7.91485     184.567     0.0592415   184.567     
1 1 1 4  32 14 o 14.4016 4.32224 0.566509     0.534845  -0.172322    0.678852  0.770177    7.9402      12.9518     187.94      
1 1 1 4  32 15 o 13.0505 4.1588  0.130598     0.522853  -0.0797979   0.678361  0.985587    268.082     4.48384     88.0823     
1 1 1 4  32 16 o 11.4536 3.65275 -1.0753      0.484834  0.419293     0.533028  0.0190794   13.1105     2.81212     193.11      
1 1 1 4  32 17 o 10.5671 3.53067 -0.119825    0.485694  -0.669514    0.559351  1.84137     277.98      10.8829     277.98      
1 1 1 4  32 18 o 19.5962 4.33119 -0.270308    0.571686  1.99485      0.689247  5.19744     32.1211     2.49765     32.1211     
1 1 1 4  32 19 o 14.0595 4.17721 0.762946     0.566225  -0.60678     0.629849  2.8026      345.493     6.7805      165.493     
1 1 1 4  32 20 o 10.9518 3.6454  -0.139796    0.491622  -0.434765    0.586429  0.143006    119.325     3.56981     299.325     
1 1 1 4  32 21 o 9.61327 3.31638 -0.612337    0.480947  -0.67534     0.587815  0.9808      217.438     6.67033     217.438     
1 1 1 4  32 22 o 14.7427 4.62461 0.250402     0.664248  0.39308      0.741592  4.02016     126.882     1.20138     306.882     
1 1 1 4  32 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  33 0  o 12.7602 5.53795 0.487125     0.705535  0.487125     0.705535  0.170002    180         0.669231    0.000320183 
1 1 1 4  33 1  o 18.3681 5.20033 0.967926     0.742713  0.737527     0.768085  7.13113     319.272     0.913893    139.272     
1 1 1 4  33 2  o 23.6367 4.73671 1.23182      0.658799  1.61103      0.580869  13.4344     125.356     2.57807     305.356     
1 1 1 4  33 3  o 18.2889 4.08045 0.0432109    0.502807  1.40986      0.534665  7.58917     248.192     4.37399     68.1923     
1 1 1 4  33 4  f 18.2384 4.6132  0.918396     0.555818  0.723184     0.55362   8.91563     45.3579     0           0           
1 1 1 4  33 5  o 19.856  4.56141 0.614818     0.554885  1.35312      0.574907  6.10684     318.176     2.50059     318.176     
1 1 1 4  33 6  o 16.1742 4.50703 0.609532     0.562698  0.548316     0.549033  4.66715     257.805     2.34104     77.8051     
1 1 1 4  33 7  o 19.9377 4.89318 1.13424      0.628879  0.956228     0.60874   10.2163     62.1532     0.00817372  62.1493     
1 1 1 4  33 8  o 14.4789 4.39333 0.851015     0.678989  -0.611097    0.623868  2.33896     306.975     2.3701      126.975     
1 1 1 4  33 9  o 11.5778 3.744   0.056309     0.522724  -0.240951    0.486617  0.1595      298.048     2.59118     118.048     
1 1 1 4  33 10 o 25.5697 5.06872 1.33866      0.70486   2.2192       0.733305  18.9491     64.5131     8.45667     64.5131     
1 1 1 4  33 11 o 14.5093 4.34339 0.366173     0.541377  0.355202     0.587886  2.96507     289.457     7.46762     109.457     
1 1 1 4  33 12 o 12.0483 3.8948  -0.118897    0.513005  0.0299037    0.572579  0.477767    191.258     7.7189      11.2582     
1 1 1 4  33 13 o 29.577  5.2978  1.78327      0.710913  3.1702       0.933207  22.6996     143.932     7.03052     143.932     
1 1 1 4  33 14 o 10.9331 3.6719  -0.301363    0.514378  -0.383361    0.611994  0.163239    54.6216     2.97906     234.622     
1 1 1 4  33 15 o 11.5818 3.80251 -0.379704    0.527848  0.0512696    0.571827  1.54386     54.8512     14.5395     54.8512     
1 1 1 4  33 16 o 12.0013 3.88772 -0.122744    0.512954  0.0298103    0.575846  1.32066     13.6376     3.5789      193.638     
1 1 1 4  33 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  33 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  34 0  o 17.8227 6.67577 1.22718      0.827839  1.22718      0.827839  9.02068     180         2.23047     180         
1 1 1 4  34 1  o 26.6265 5.9084  2.49538      0.92024   1.96087      0.913201  20.3377     233.993     8.76773     233.993     
1 1 1 4  34 2  o 20.8384 5.02935 0.812539     0.801361  1.53493      0.629687  12.6098     51.5612     4.73164     51.5612     
1 1 1 4  34 3  o 12.0523 3.72941 0.120826     0.434439  0.109047     0.452352  1.32285     132.962     4.30995     312.962     
1 1 1 4  34 4  o 16.41   4.33669 0.245203     0.51817   0.974791     0.536902  6.51549     21.8767     0.0119724   201.876     
1 1 1 4  34 5  o 10.5994 3.49251 -0.226042    0.457069  -0.166066    0.4798    0.014618    311.365     5.82689     311.363     
1 1 1 4  34 6  o 15.274  4.33216 0.790164     0.549876  0.126797     0.547472  4.10769     10.3958     8.47609     190.396     
1 1 1 4  34 7  o ?       ?       ?            ?         ?            ?         7.91575     72.5364     0           0           
1 1 1 4  34 8  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  34 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  34 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 4  34 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  0  1  o 566.944 2.96351 589.432      8.70812   589.432      8.70812   581.207     270         52.0881     270         
1 1 1 5  0  2  o 229.023 2.07176 96.1958      2.45861   96.1958      2.45861   110.251     180         227.937     1.08428e-05 
1 1 1 5  0  3  o 118.352 1.93538 25.717       1.1859    25.717       1.1859    42.8832     90          143.385     270         
1 1 1 5  0  4  o 214.05  2.05129 84.036       2.27507   84.036       2.27507   223.676     180         28.6045     180         
1 1 1 5  0  5  o 91.1695 1.94198 15.2782      0.915865  15.2782      0.915865  21.6343     90          118.612     270         
1 1 1 5  0  6  o 169.603 1.99929 52.7753      1.75658   52.7753      1.75658   224.744     6.50339e-06 153.241     6.50339e-06 
1 1 1 5  0  7  o 76.1057 1.98231 10.6611      0.779611  10.6611      0.779611  13.7037     270         47.4604     90          
1 1 1 5  0  8  f 133.216 1.97374 32.5749      1.36159   32.5749      1.36159   30.4918     2.10341e-05 0           0           
1 1 1 5  0  9  o 216.393 2.07438 85.8876      2.32585   85.8876      2.32585   271.639     270         122.072     270         
1 1 1 5  0  10 o 5.87041 2.7708  -0.079133    0.230409  -0.079133    0.230409  127.868     1.44875e-05 256.771     1.44875e-05 
1 1 1 5  0  11 o 325.361 2.30296 194.114      3.88315   194.114      3.88315   426.184     270         220.179     270         
1 1 1 5  0  12 o 137.554 2.15004 34.7335      1.53134   34.7335      1.53134   151.747     1.33003e-06 73.4703     1.33003e-06 
1 1 1 5  0  13 o 154.292 2.33932 43.6973      1.86902   43.6973      1.86902   120.442     270         57.1883     90          
1 1 1 5  0  14 o 400.534 2.89432 294.181      6.00779   294.181      6.00779   395.989     180         17.5543     180         
1 1 1 5  0  15 o 443.705 2.81111 360.982      6.46435   360.982      6.46435   428.163     270         0.0661621   270         
1 1 1 5  0  16 o 47.0973 2.50907 4.13476      0.604361  4.13476      0.604361  7.05654     180         21.7682     180         
1 1 1 5  0  17 o 73.8008 2.72883 10.0659      1.03737   10.0659      1.03737   0.704996    89.9987     1.80731     269.999     
1 1 1 5  0  18 o 138.409 2.63325 35.1933      1.88614   35.1933      1.88614   128.292     180         2.62851     7.75943e-06 
1 1 1 5  0  19 o 174.225 2.67935 55.7243      2.41717   55.7243      2.41717   10.2245     270         353.673     270         
1 1 1 5  0  20 o 334.096 2.75529 204.714      4.7702    204.714      4.7702    319.291     180         1.22589     180         
1 1 1 5  0  21 o 9.97995 4.21964 0.188509     0.387705  0.188509     0.387705  82.8595     90          167.755     90          
1 1 1 5  0  22 o 93.6314 2.16922 16.123       1.05026   16.123       1.05026   2.1655      180         167.819     1.08819e-05 
1 1 1 5  0  23 o 349.751 2.44103 224.344      4.42454   224.344      4.42454   336.636     270         11.6892     270         
1 1 1 5  0  24 o 343.167 2.43453 215.997      4.32965   215.997      4.32965   374.544     180         101.961     180         
1 1 1 5  0  25 o 206.879 2.52818 78.5575      2.70933   78.5575      2.70933   265.025     270         141.396     270         
1 1 1 5  0  26 o 245.699 2.5979  110.799      3.30702   110.799      3.30702   300.061     180         139.835     180         
1 1 1 5  0  27 o 38.2887 3.30817 2.8086       0.630418  2.8086       0.630418  4.27287     90.0001     20.9327     90.0001     
1 1 1 5  0  28 o 127.074 2.18445 29.6683      1.43698   29.6683      1.43698   116.991     180         2.3904      8.60587e-06 
1 1 1 5  0  29 o 3.8951  2.03241 -0.96928     0.30618   -0.96928     0.30618   8.38154     270         16.8717     270         
1 1 1 5  0  30 o 206.688 2.22624 78.4213      2.38392   78.4213      2.38392   194.261     180         6.97836     180         
1 1 1 5  0  31 o 59.5569 2.4351  6.57342      0.745959  6.57342      0.745959  45.5539     270         15.0342     270         
1 1 1 5  0  32 o 72.7238 2.34636 9.76455      0.880301  9.76455      0.880301  61.5991     180         8.43295     8.65183e-06 
1 1 1 5  0  33 o 41.75   2.88693 3.29097      0.610111  3.29097      0.610111  10.0212     90          3.23159     270         
1 1 1 5  0  34 o 27.6323 4.08889 1.57407      0.51603   1.57407      0.51603   34.1086     360         112.851     360         
1 1 1 5  0  35 o 87.6031 2.36222 14.1472      1.06913   14.1472      1.06913   89.2052     270         20.1845     270         
1 1 1 5  0  36 o 324.706 2.49168 193.666      4.19275   193.666      4.19275   334.715     180         85.4404     180         
1 1 1 5  0  37 o 129.098 2.44225 30.6764      1.63169   30.6764      1.63169   110.875     270         9.32214     90          
1 1 1 5  0  38 o 9.26196 4.24298 -0.0196117   0.481757  -0.0196117   0.481757  21.9912     8.65159e-06 47.0164     8.65159e-06 
1 1 1 5  0  39 o 137.912 2.45239 35.0371      1.75066   35.0371      1.75066   118.849     270         6.69507     90          
1 1 1 5  0  40 o 116.805 2.69574 25.2069      1.62825   25.2069      1.62825   117.442     180         28.9666     180         
1 1 1 5  0  41 o 7.68511 3.69027 -0.233219    0.443242  -0.233219    0.443242  13.8588     90          30.7925     90          
1 1 1 5  0  42 o 49.868  3.20743 4.71358      0.812526  4.71358      0.812526  50.688      5.82644e-06 14.602      5.82644e-06 
1 1 1 5  0  43 o 11.4057 4.68109 0.304517     0.452986  0.304517     0.452986  3.39179     90.0001     9.89158     90.0001     
1 1 1 5  0  44 o 30.0324 3.89587 1.83939      0.546247  1.83939      0.546247  28.2581     360         13.5384     360         
1 1 1 5  0  45 o 11.8192 4.74823 0.355036     0.451652  0.355036     0.451652  3.27462     270         15.5786     270         
1 1 1 5  0  46 o 31.2002 4.6605  2.06198      0.663202  2.06198      0.663202  36.2068     360         24.1628     360         
1 1 1 5  0  47 o 26.856  4.62187 1.57762      0.557462  1.57762      0.557462  29.5124     90          19.0254     90          
1 1 1 5  0  48 o 17.4963 5.87765 0.881517     0.606857  0.881517     0.606857  7.69646     360         11.796      180         
1 1 1 5  0  49 o 47.757  3.05374 4.38212      0.741034  4.38212      0.741034  46.6313     270         13.3927     270         
1 1 1 5  0  50 o 12.376  4.97394 0.412925     0.49589   0.412925     0.49589   3.76219     180         25.6889     180         
1 1 1 5  0  51 o 33.8561 4.16477 2.38114      0.664696  2.38114      0.664696  26.373      270         3.13363     90          
1 1 1 5  0  52 o 58.4409 2.85042 6.53593      0.853895  6.53593      0.853895  59.9824     360         24.1557     360         
1 1 1 5  0  53 o 7.44928 3.62318 -0.273756    0.45831   -0.273756    0.45831   2.11571     90.0001     7.53467     90.0001     
1 1 1 5  0  54 o 10.3076 4.57864 0.182817     0.511005  0.182817     0.511005  0.920281    360         6.617       180         
1 1 1 5  0  55 o 9.42191 4.36963 0.023063     0.533824  0.023063     0.533824  0.0775943   89.9999     1.68295     270         
1 1 1 5  0  56 o 19.5188 5.88334 1.15341      0.605632  1.15341      0.605632  7.67001     180         15.5031     8.65302e-06 
1 1 1 5  0  57 o 21.4322 6.58715 1.4868       0.757431  1.4868       0.757431  12.813      270         7.84964     90          
1 1 1 5  0  58 o 40.0658 4.26606 3.50581      0.826707  3.50581      0.826707  39.8783     180         16.863      180         
1 1 1 5  0  59 o 15.0418 5.85859 0.829475     0.661873  0.829475     0.661873  6.15925     270         4.7326      90          
1 1 1 5  0  60 o 7.34397 3.6717  -0.515324    0.569926  -0.515324    0.569926  1.15902     8.62938e-06 3.31086     8.62938e-06 
1 1 1 5  0  61 o 5.54291 2.87315 -1.22999     0.53604   -1.22999     0.53604   0.81985     270         1.99481     270         
1 1 1 5  0  62 o 19.5189 6.65448 1.45271      0.781058  1.45271      0.781058  14.7231     180         3.55682     180         
1 1 1 5  1  0  o 15.2566 3.39629 0.536356     0.235892  0.536356     0.235892  63.0049     90.0001     129.572     90.0001     
1 1 1 5  1  1  o 213.212 2.04315 80.0057      2.25244   86.761       2.26132   193.94      246.355     8.53081     66.3555     
1 1 1 5  1  2  o 396.967 2.45663 287.371      5.05344   290.611      5.05655   330.973     232.334     105.581     52.3336     
1 1 1 5  1  3  o 318.552 2.26078 186.043      3.733     186.12       3.73321   272.242     203.399     66.5508     23.3993     
1 1 1 5  1  4  o 261.901 2.13829 127.615      2.90522   123.954      2.90022   182.405     71.8232     134.248     251.823     
1 1 1 5  1  5  o 183.578 2.00811 60.6663      1.91026   62.9348      1.91107   163.328     358.004     7.07225     178.004     
1 1 1 5  1  6  o 244.147 2.28094 109.063      3.08495   109.576      2.67261   232.372     317.081     6.38297     317.081     
1 1 1 5  1  7  o 341.585 2.51309 213.421      4.75477   214.636      4.12019   223.19      179.556     210.801     359.556     
1 1 1 5  1  8  o 258.644 2.21819 125.997      3.07858   119.412      2.86962   190.004     329.511     110.528     149.511     
1 1 1 5  1  9  o 446.316 2.70223 369.511      6.04138   361.314      6.45007   434.443     90.9431     9.23953     90.9431     
1 1 1 5  1  10 o 180.772 2.19592 59.8814      1.90486   59.9607      2.20007   142.678     307.518     43.788      127.518     
1 1 1 5  1  11 o 275.992 2.37616 140.836      3.14654   138.511      3.63076   306.895     98.6108     97.2806     98.6108     
1 1 1 5  1  12 o 65.3042 2.13963 7.64836      0.697252  8.02446      0.747405  14.1475     333.966     97.68       333.966     
1 1 1 5  1  13 o 202.547 2.08192 75.511       2.18544   74.9067      2.18624   231.406     92.5959     103.298     92.5959     
1 1 1 5  1  14 o 369.201 2.42667 250.628      4.64477   249.177      4.64346   398.918     28.9395     97.5053     28.9395     
1 1 1 5  1  15 o 243.964 2.16284 112.829      2.74104   105.452      2.72735   224.909     50.0882     3.14853     230.088     
1 1 1 5  1  16 f 154.335 2.06121 43.3861      1.64925   43.9448      1.64867   167.332     167.625     0           0           
1 1 1 5  1  17 o 338.752 2.74218 210.892      4.81732   209.932      4.81295   292.303     334.948     54.782      154.948     
1 1 1 5  1  18 o 227.227 2.73483 95.0789      3.22203   94.2729      3.22037   209.86      28.5276     3.5855      28.5274     
1 1 1 5  1  19 o 592.825 3.64333 654.091      10.2191   635.474      12.0674   582.966     46.4286     39.5753     46.4285     
1 1 1 5  1  20 o 338.099 2.80464 210.72       4.49285   208.56       5.3002    350.234     76.9881     69.4554     76.9881     
1 1 1 5  1  21 o 467.133 2.82816 400.754      6.62161   399.72       7.06694   464.532     43.8491     49.5862     43.8491     
1 1 1 5  1  22 o 194.862 2.22829 67.5807      2.17495   71.712       2.32705   194.816     99.5483     45.2194     99.5483     
1 1 1 5  1  23 o 134.904 2.19979 33.6695      1.59255   33.0849      1.48293   73.3489     321.644     84.9339     141.644     
1 1 1 5  1  24 o 193.297 2.3497  67.5027      2.51311   69.5867      2.17809   220.479     182.564     108.742     182.564     
1 1 1 5  1  25 o 264.312 2.62424 126.918      3.59112   129.514      3.59955   252.381     161.455     20.7206     161.455     
1 1 1 5  1  26 o 141.813 2.60725 38.2516      2.01167   35.6559      1.81838   143.206     80.3526     45.4104     80.3526     
1 1 1 5  1  27 o 130.368 2.50422 30.2458      1.68535   32.2209      1.69511   98.0618     186.333     34.2606     6.33305     
1 1 1 5  1  28 o 187.097 2.44414 63.9237      2.45751   64.6248      2.2789    146.539     62.2541     49.4898     242.254     
1 1 1 5  1  29 o 207.587 2.21946 79.6946      2.38933   78.5293      2.38706   203.581     135.238     28.4332     135.238     
1 1 1 5  1  30 o 45.4682 2.60262 3.68542      0.607574  3.96392      0.608093  13.3415     296.778     27.3069     116.778     
1 1 1 5  1  31 o 218.164 2.24983 89.5238      2.54946   85.3245      2.53826   202.837     19.5648     9.74764     19.5648     
1 1 1 5  1  32 o 121.382 2.21666 27.4408      1.39591   26.7175      1.39104   116.18      56.4744     19.7196     56.4744     
1 1 1 5  1  33 o 52.9754 2.57793 4.85031      0.697496  5.52705      0.707916  7.19095     70.8679     71.3351     250.868     
1 1 1 5  1  34 o 105.6   2.27678 21.0248      1.24823   19.9981      1.241     91.2722     323.497     1.53096     143.497     
1 1 1 5  1  35 o 176.899 2.25621 56.257       2.06139   58.7805      2.0759    166.854     235.293     18.5493     235.293     
1 1 1 5  1  36 o 171.054 2.26183 53.4159      2.00069   54.1729      2.01031   176.499     321.138     50.7141     321.138     
1 1 1 5  1  37 o 35.9679 3.221   2.74304      0.590761  2.12952      0.576396  7.79505     144.678     18.9629     324.678     
1 1 1 5  1  38 o 142.727 2.28309 35.4673      1.67526   39.6039      1.70038   158.292     303.456     68.5899     303.456     
1 1 1 5  1  39 o 81.5688 2.42521 13.1809      1.03133   11.4374      1.01223   84.62       106.521     32.3451     106.521     
1 1 1 5  1  40 o 20.6257 4.3076  0.0259926    0.553939  1.41961      0.590808  1.62614     285.693     7.36015     105.693     
1 1 1 5  1  41 o 139.311 2.57861 36.0094      1.78311   35.9539      1.93449   146.596     314.396     51.5591     314.396     
1 1 1 5  1  42 o 41.5863 3.33222 3.31329      0.68237   3.24076      0.727277  30.1709     301.949     5.11045     121.949     
1 1 1 5  1  43 o 49.1511 2.89502 4.15375      0.744703  4.95091      0.707787  38.1019     140.856     4.14764     320.856     
1 1 1 5  1  44 o 24.2026 3.98064 0.659021     0.508293  1.69934      0.512142  4.92257     221.178     26.0421     41.1777     
1 1 1 5  1  45 o 32.1452 3.52716 1.9515       0.563961  2.0758       0.573243  20.3049     79.8636     9.98686     259.864     
1 1 1 5  1  46 o 101.184 2.8324  19.0023      1.48339   19.7295      1.48144   98.8153     147.243     26.682      147.243     
1 1 1 5  1  47 o 27.8249 4.02373 0.454809     0.614697  2.81188      0.602129  23.6737     176.924     5.62342     176.924     
1 1 1 5  1  48 o 36.1707 3.82146 2.10538      0.68481   3.14907      0.678151  38.2943     336.086     21.0294     336.086     
1 1 1 5  1  49 f 23.2223 4.50673 1.23637      0.547047  1.02803      0.57578   1.02104     62.047      0           0           
1 1 1 5  1  50 o 35.5416 3.69779 2.49521      0.686902  2.58824      0.631602  18.5893     102.527     19.6794     282.527     
1 1 1 5  1  51 f 14.5605 4.09551 -0.0920272   0.495718  0.533195     0.485231  5.97784     140.689     0           0           
1 1 1 5  1  52 o 9.86586 3.31181 -0.350375    0.462234  -0.607853    0.455872  0.33989     123.753     4.62592     123.752     
1 1 1 5  1  53 o 16.2703 4.42814 0.603024     0.536652  0.341492     0.525027  6.08936     274.261     9.34523     94.2609     
1 1 1 5  1  54 o 33.4354 3.93315 2.06867      0.64726   2.75357      0.660127  28.0414     133.578     4.63796     133.578     
1 1 1 5  1  55 o 29.2815 4.39577 2.19587      0.654662  1.73364      0.640012  25.5869     350.566     7.75272     350.566     
1 1 1 5  1  56 f 17.5488 4.66794 0.764373     0.576068  0.639255     0.579974  19.706      190.247     0           0           
1 1 1 5  1  57 o 20.8032 5.19405 1.39151      0.711335  0.940566     0.704439  13.7209     328.434     1.15553     328.434     
1 1 1 5  1  58 o 21.6211 4.44834 0.0729758    0.657631  2.18822      0.68208   14.3316     160.066     0.602942    340.066     
1 1 1 5  1  59 o 13.4184 4.24116 0.420241     0.625161  -0.189097    0.606668  1.53721     181.874     1.37661     1.87385     
1 1 1 5  1  60 o 15.5717 4.46338 0.0782998    0.588781  0.919522     0.602591  4.7133      298.22      4.87226     118.22      
1 1 1 5  1  61 o 14.5828 4.44669 -0.141802    0.655739  0.788273     0.64161   1.98912     351.035     0.557355    171.035     
1 1 1 5  1  62 o 12.5592 4.09523 -0.716693    0.60345   0.534951     0.678666  2.27058     175.117     6.59966     355.117     
1 1 1 5  2  0  o 21.1626 3.2729  0.92953      0.314405  0.92953      0.314405  58.1868     90          123.032     90          
1 1 1 5  2  1  f 229.242 2.21344 96.1174      2.633     96.614       2.62741   172.034     12.9382     0           0           
1 1 1 5  2  2  o 92.7656 1.93085 14.4712      0.921486  17.1702      0.928897  28.7098     66.1157     78.1766     246.116     
1 1 1 5  2  3  o 489.241 2.9396  440.884      6.90429   437.415      7.9634    436.537     255.797     75.4813     75.7967     
1 1 1 5  2  4  o 277.584 2.34425 141.906      3.12391   140.726      3.60315   315.869     271.252     109.576     271.252     
1 1 1 5  2  5  o 213.466 2.12716 86.1129      2.27565   81.051       2.42342   147.946     350.207     104.448     170.207     
1 1 1 5  2  6  o 98.7309 1.94432 18.408       0.995309  17.3754      0.992338  36.2827     55.2682     78.864      235.268     
1 1 1 5  2  7  o 281.518 2.19133 149.436      3.20304   141.301      3.1909    272.884     105.793     12.6832     105.793     
1 1 1 5  2  8  o 173.094 2.01072 52.9951      1.79986   56.9176      1.80688   136.948     155.877     39.3095     335.877     
1 1 1 5  2  9  o 447.02  2.60813 369.403      6.04706   363.634      6.03969   449.679     7.89746     39.3413     7.89746     
1 1 1 5  2  10 o 121.921 1.98066 28.2952      1.25492   26.2304      1.24751   25.5509     35.357      163.244     215.357     
1 1 1 5  2  11 o 557.851 2.95463 573.967      8.54325   567.553      8.54418   483.177     42.9046     109.64      222.905     
1 1 1 5  2  12 o 227.524 2.11459 93.2172      2.49064   96.6052      2.49674   244.462     132.296     71.8617     132.296     
1 1 1 5  2  13 o 422.509 2.56096 334.245      5.61753   320.424      5.59859   400.493     341.884     6.67521     161.884     
1 1 1 5  2  14 o 180.307 2.06581 60.2798      1.93253   58.9182      1.92888   166.835     10.377      12.2344     10.3771     
1 1 1 5  2  15 o 155.067 2.04884 43.4937      1.64464   44.6698      1.64894   116.634     169.569     38.8989     349.569     
1 1 1 5  2  16 o 296.848 2.27582 163.234      3.50537   159.869      3.4982    263.88      17.8502     29.7619     197.85      
1 1 1 5  2  17 o 108.264 2.62182 21.6818      1.47053   21.351       1.46777   48.0838     179.169     76.2551     359.169     
1 1 1 5  2  18 f 564.684 3.79582 580.455      11.0997   589.563      11.1213   599.194     194.709     0           0           
1 1 1 5  2  19 o 136.639 2.09739 34.1315      1.48458   34.3262      1.48651   98.2498     225.289     32.5007     45.2891     
1 1 1 5  2  20 o 87.3135 2.32522 13.5337      1.04727   14.4707      1.05303   27.54       84.464      15.1911     264.464     
1 1 1 5  2  21 o 57.5035 2.53549 5.97613      0.748037  6.20018      0.7559    47.9621     37.6432     167.429     37.6432     
1 1 1 5  2  22 o 118.989 2.13202 24.9289      1.30842   27.0351      1.31918   72.3441     172.758     47.7992     352.758     
1 1 1 5  2  23 o 172.515 2.21485 55.4372      2.05016   53.7363      1.91044   176.63      246.305     58.6776     246.305     
1 1 1 5  2  24 f 174.755 2.30079 55.9653      2.08347   56.0777      2.0849    96.6842     130.983     0           0           
1 1 1 5  2  25 o 103.571 2.7337  20.2503      1.47209   19.1921      1.4576    68.8238     338.039     22.714      158.039     
1 1 1 5  2  26 o 96.912  2.63613 16.6741      1.26146   17.8718      1.38236   79.6546     236.125     25.5688     236.125     
1 1 1 5  2  27 o 146.868 2.32239 37.8996      1.63666   41.3224      1.89854   165.542     62.7978     74.8673     62.7978     
1 1 1 5  2  28 o 21.9298 4.14674 0.682965     0.465976  1.15623      0.508582  44.8232     157.215     111.792     157.215     
1 1 1 5  2  29 o 241.681 2.62453 108.348      3.29113   106.278      3.28459   233.016     265.195     23.5005     265.195     
1 1 1 5  2  30 o 34.2908 3.17392 2.01274      0.564168  2.39572      0.528525  7.28663     214.387     49.6409     214.387     
1 1 1 5  2  31 o 175.551 2.28945 55.6206      2.14919   57.5955      2.01238   193.7       229.471     73.1363     229.471     
1 1 1 5  2  32 o 39.1064 2.95529 3.03669      0.61054   2.6601       0.569045  2.40511     349.359     3.14487     169.359     
1 1 1 5  2  33 o 182.012 2.23781 59.5046      2.10576   62.2199      2.11631   134.044     183.022     59.3649     3.0219      
1 1 1 5  2  34 o 47.823  2.67955 4.41974      0.665434  4.04945      0.651722  13.9433     41.447      5.75131     41.447      
1 1 1 5  2  35 o 86.9782 2.35387 13.235       1.05314   14.639       1.06392   59.5312     171.856     30.5373     351.856     
1 1 1 5  2  36 o 108.619 2.30422 20.9262      1.28944   22.5167      1.30142   105.562     121.664     24.2772     121.664     
1 1 1 5  2  37 o 150.335 2.26849 42.0776      1.77207   41.0894      1.76338   125.468     176.197     12.9866     356.197     
1 1 1 5  2  38 o 46.6603 2.87736 3.09305      0.65581   5.13692      0.694264  31.2296     175.044     2.25451     355.044     
1 1 1 5  2  39 f 54.7497 2.85907 5.45419      0.808687  5.69436      0.802185  52.337      246.299     0           0           
1 1 1 5  2  40 o 66.304  3.10974 7.57025      1.09851   8.85513      1.01217   57.4126     283.377     2.91429     283.377     
1 1 1 5  2  41 o 91.473  2.74173 14.1884      1.26853   16.9851      1.32176   98.2136     335.585     40.4765     335.585     
1 1 1 5  2  42 o 25.0147 4.00657 0.968325     0.500903  1.50322      0.520859  8.93347     228.634     2.9237      48.6341     
1 1 1 5  2  43 o 57.7454 2.85183 6.31679      0.857117  6.20158      0.839435  40.0629     71.6544     16.4079     251.654     
1 1 1 5  2  44 o 54.8567 2.68422 6.03604      0.766869  5.28725      0.748664  50.829      278.223     11.1311     278.223     
1 1 1 5  2  45 o 43.4846 3.1591  3.50892      0.704361  3.72742      0.698699  33.3826     263.474     4.28886     83.4742     
1 1 1 5  2  46 o 37.2598 3.888   3.12823      0.728803  2.37088      0.717128  32.564      6.84431     5.77495     6.84431     
1 1 1 5  2  47 o 65.6499 3.00619 8.15749      1.0211    8.29069      1.01378   67.81       294.265     26.6373     294.265     
1 1 1 5  2  48 o 36.4386 3.36496 2.37178      0.619498  2.83712      0.615565  24.5512     156.842     9.63791     336.842     
1 1 1 5  2  49 o 33.1037 3.96232 2.80397      0.643073  1.69923      0.644649  34.0022     238.606     18.5988     238.606     
1 1 1 5  2  50 o 33.5032 3.63177 2.16985      0.610466  2.34731      0.609932  30.2653     276.56      8.87552     276.56      
1 1 1 5  2  51 o 49.9535 2.99299 4.75614      0.770382  4.99244      0.764409  39.4114     237.357     1.70713     57.3574     
1 1 1 5  2  52 o 43.5705 3.30548 4.93877      0.737944  2.79621      0.688002  39.731      300.295     10.4716     300.295     
1 1 1 5  2  53 o 16.0007 4.34303 0.218021     0.514985  0.660185     0.522583  8.03121     81.2012     0.479721    261.201     
1 1 1 5  2  54 o 30.9669 4.22691 2.12613      0.660495  2.10714      0.647341  22.3659     22.092      2.82377     202.092     
1 1 1 5  2  55 o 38.0599 3.92692 2.89283      0.779362  3.41698      0.704955  36.9014     164.57      15.6179     164.57      
1 1 1 5  2  56 o 15.6227 4.33466 -0.333148    0.569174  0.982368     0.601339  5.06509     78.2066     9.23729     258.207     
1 1 1 5  2  57 o 22.8491 4.89314 0.580976     0.816653  2.03661      0.674641  14.7441     273.582     2.13004     93.5817     
1 1 1 5  2  58 o 16.6756 4.71461 0.954024     0.623268  0.233012     0.683865  2.82494     64.929      16.905      244.929     
1 1 1 5  2  59 o 15.0436 4.47922 0.895104     0.654527  -0.214556    0.626455  3.95776     304.469     8.5792      124.468     
1 1 1 5  2  60 o 12.3116 4.01048 0.0970677    0.616722  -0.178796    0.566682  0.504732    142.825     2.007       322.825     
1 1 1 5  2  61 o 22.8705 5.30001 2.09676      0.77377   1.17829      0.729342  15.8501     342.939     3.24894     342.939     
1 1 1 5  2  62 o 13.6891 4.4036  -0.128003    0.694623  0.483099     0.697017  3.14236     169.136     1.37905     349.136     
1 1 1 5  3  0  o 121.452 1.93879 27.0809      1.21917   27.0809      1.21917   44.7999     90          145.775     270         
1 1 1 5  3  1  o 348.284 2.3289  223.802      4.20607   221.137      4.20286   327.998     213.269     12.2988     33.2689     
1 1 1 5  3  2  o 390.258 2.62541 281.781      5.67905   276.986      4.92216   319.913     87.8478     112.977     267.848     
1 1 1 5  3  3  o 326.809 2.44783 200.616      4.44067   191.237      3.84375   339.329     208.762     55.0778     208.762     
1 1 1 5  3  4  o 163.119 2.04612 49.3752      1.78754   48.2125      1.67188   123.836     227.903     45.372      47.903      
1 1 1 5  3  5  o 59.4754 1.98001 6.45956      0.607084  6.54192      0.610346  19.8427     185.392     92.9477     185.392     
1 1 1 5  3  6  o 97.8657 2.08864 16.9741      0.983609  18.195       1.13205   42.2574     348.53      57.8669     168.53      
1 1 1 5  3  7  o 164.432 2.14825 49.7316      1.70094   49.4317      1.95178   102.4       56.8859     93.9529     236.886     
1 1 1 5  3  8  o 243.815 2.19231 111.196      2.68145   106.839      2.85308   225.302     92.9759     5.9105      272.976     
1 1 1 5  3  9  o 185.611 2.02993 60.7021      1.94723   65.6774      1.95698   132.462     55.6395     75.836      235.639     
1 1 1 5  3  10 o 244.894 2.12957 110.661      2.70395   109.252      2.70266   252.88      56.6246     50.7556     56.6246     
1 1 1 5  3  11 o 216.446 2.08594 83.6288      2.33628   88.1766      2.3434    196.413     155.588     6.47444     335.588     
1 1 1 5  3  12 o 220.5   2.10163 89.5521      2.40309   88.7124      2.40113   182.346     310.945     44.0705     130.945     
1 1 1 5  3  13 o 341.258 2.35312 215.54       4.1646    211.474      4.16024   292.466     353.585     63.2395     173.585     
1 1 1 5  3  14 o 452.562 2.64808 379.603      6.21609   371.45       6.20768   452.205     245.084     41.119      245.084     
1 1 1 5  3  15 o 321.316 2.31724 188.244      3.85682   190.313      3.8622    379.262     29.92       157.996     29.92       
1 1 1 5  3  16 o 400.355 2.68938 295.392      5.58259   292.394      5.57976   452.555     321.973     148.928     321.973     
1 1 1 5  3  17 o 166.871 2.62891 51.099       2.27281   51.016       2.27515   140.461     257.537     12.0966     77.5369     
1 1 1 5  3  18 o 236.091 2.3353  100.026      2.85061   104.386      2.86458   147.541     5.0887      142.898     185.089     
1 1 1 5  3  19 o 221.449 2.16814 89.7405      2.48877   90.078       2.48885   215.608     240.581     30.0576     240.581     
1 1 1 5  3  20 o 246.398 2.21542 110.767      2.82872   111.869      2.83043   283.499     308.725     122.005     308.725     
1 1 1 5  3  21 o 301.441 2.48512 168.026      3.88753   165.271      3.87858   338.079     294.359     121.149     294.359     
1 1 1 5  3  22 o 206.691 2.32367 79.3802      2.49353   77.3288      2.48542   197.936     288.158     26.0119     288.158     
1 1 1 5  3  23 o 297.69  2.3278  160.466      3.58655   164.649      3.5972    271.51      304.764     6.1577      124.764     
1 1 1 5  3  24 o 277.439 2.54402 138.804      3.51375   143.694      3.80198   303.564     324.715     101.043     324.715     
1 1 1 5  3  25 o 214.913 2.78123 86.4842      3.10907   83.1203      3.08713   216.682     0.142322    45.6543     0.142322    
1 1 1 5  3  26 o 162.943 2.30524 50.7738      1.95452   46.7213      1.93777   84.4441     266.163     126.182     86.1626     
1 1 1 5  3  27 o 204.514 2.20119 78.443       2.34085   75.1018      2.32565   210.549     223.695     48.6666     223.695     
1 1 1 5  3  28 o 25.7418 3.70332 1.42275      0.494076  1.11296      0.461343  12.0075     160.185     37.4171     160.185     
1 1 1 5  3  29 o 57.0507 2.60405 6.01884      0.761565  5.99042      0.770333  34.9723     39.0505     5.55757     219.05      
1 1 1 5  3  30 f 175.318 2.19655 55.4532      1.99054   57.4334      2.00153   116.219     203.915     0           0           
1 1 1 5  3  31 o 153.122 2.19779 41.568       1.73661   44.5744      1.75114   106.394     321.213     62.3313     141.213     
1 1 1 5  3  32 o 211.49  2.33609 83.2856      2.4741    81.0665      2.64249   161.672     161.336     59.0941     341.336     
1 1 1 5  3  33 o 192.761 2.32414 71.2769      2.24917   65.3257      2.38414   173.455     301.037     0.660734    301.038     
1 1 1 5  3  34 o 128.596 2.32303 30.4359      1.49089   30.3666      1.60244   87.7652     231.366     52.7111     51.3664     
1 1 1 5  3  35 o 167.227 2.32633 51.7374      1.95066   51.0872      2.07948   158.015     207.149     19.3039     207.149     
1 1 1 5  3  36 o 281.675 2.56054 147.392      3.74709   144.678      3.73001   304.332     259.908     106.609     259.908     
1 1 1 5  3  37 o 36.9736 3.35118 3.11775      0.655678  2.07167      0.588898  8.71383     302.457     6.99895     122.457     
1 1 1 5  3  38 o 52.7012 2.80854 4.64975      0.77471   5.69025      0.73726   31.5681     243.78      20.4298     63.7803     
1 1 1 5  3  39 o 11.4321 3.65933 -0.248884    0.496797  -0.247397    0.432203  16.4582     130.161     39.482      130.161     
1 1 1 5  3  40 o 59.2377 2.93112 6.10527      0.918956  6.99352      0.860889  64.1028     316.637     32.467      316.637     
1 1 1 5  3  41 o 54.8612 2.84658 5.47102      0.796077  5.77653      0.811545  52.2437     185.773     15.3203     185.773     
1 1 1 5  3  42 o 97.4416 2.36422 18.108       1.1975    17.1461      1.18687   75.77       148.013     15.5262     328.013     
1 1 1 5  3  43 o 45.2811 3.07389 4.07111      0.720426  3.69132      0.704124  26.6541     170.963     20.9858     350.963     
1 1 1 5  3  44 o 12.2583 3.70272 0.266324     0.460734  -0.441218    0.424938  5.17045     48.6479     20.0021     48.6479     
1 1 1 5  3  45 o 56.8074 2.84152 6.48682      0.836001  5.74415      0.824747  49.1024     72.9173     3.7214      72.9173     
1 1 1 5  3  46 o 29.7428 4.0456  1.24958      0.589826  2.35925      0.606139  18.0993     222.496     10.6787     42.496      
1 1 1 5  3  47 o 33.9062 3.97458 1.4243       0.633195  3.33382      0.666015  30.2632     145.915     7.29731     145.915     
1 1 1 5  3  48 o 25.8569 4.07538 0.7798       0.5535    2.01224      0.549583  22.2774     2.17505     7.93351     2.17505     
1 1 1 5  3  49 o 63.7596 2.89364 7.83432      0.945006  7.80899      0.957535  55.5912     76.6021     6.43241     76.6021     
1 1 1 5  3  50 o 25.1179 4.2982  1.14191      0.549714  1.52733      0.562624  13.08       322.699     11.9262     142.699     
1 1 1 5  3  51 f 42.2906 3.19752 3.78081      0.701774  3.29628      0.676993  16.6657     215.512     0           0           
1 1 1 5  3  52 o 19.4716 4.51049 0.935195     0.5276    0.68329      0.530861  12.5275     248.689     4.95991     248.689     
1 1 1 5  3  53 o 12.0671 3.8122  0.0169886    0.483627  -0.172091    0.494936  2.24232     229.795     3.24164     49.7953     
1 1 1 5  3  54 o 29.1598 4.23537 1.11707      0.627449  2.79351      0.632278  28.6112     176.127     14.7232     176.127     
1 1 1 5  3  55 o 25.6446 4.51106 1.09423      0.612672  2.02745      0.619753  13.7029     336.421     11.0145     156.421     
1 1 1 5  3  56 o 22.7066 4.94577 1.5663       0.662282  1.07449      0.632695  14.334      199.331     2.91098     19.3312     
1 1 1 5  3  57 o 14.0924 4.28526 0.563754     0.600732  -0.138763    0.567608  4.11746     2.81437     6.29146     182.814     
1 1 1 5  3  58 o 14.8114 4.50246 0.0400963    0.664967  0.598888     0.620204  5.34265     299.227     4.86571     119.227     
1 1 1 5  3  59 o 13.621  4.21132 -0.211426    0.586214  0.547171     0.590814  2.48598     275.155     3.15931     95.1548     
1 1 1 5  3  60 o 12.5145 4.05644 0.400552     0.632721  -0.670876    0.613137  1.06898     275.557     4.52707     95.5573     
1 1 1 5  3  61 o 12.1321 3.99664 -0.718624    0.632736  0.316212     0.639598  1.30227     0.302214    5.98801     180.302     
1 1 1 5  3  62 o 12.7786 4.17459 -0.181088    0.630019  0.255607     0.670398  2.81957     347.209     5.5177      167.209     
1 1 1 5  4  0  o 109.77  1.93222 22.1294      1.0979    22.1294      1.0979    62.0457     90          79.7818     270         
1 1 1 5  4  1  o 211.089 2.03851 81.1677      2.22972   82.2521      2.2313    198.243     34.7706     6.79403     34.7706     
1 1 1 5  4  2  o 303.046 2.21982 169.4        3.48949   167.448      3.48453   290.891     196.638     5.36167     196.637     
1 1 1 5  4  3  o 339.417 2.3065  212.503      4.05988   210.074      4.05618   316.902     12.1701     15.4184     192.17      
1 1 1 5  4  4  o 158.325 1.9767  44.4248      1.61898   47.5289      1.62434   86.4878     336.741     114.426     156.741     
1 1 1 5  4  5  o 241.462 2.10133 106.462      2.63039   107.366      2.6298    229.229     72.5881     6.96989     72.5881     
1 1 1 5  4  6  o 215.686 2.05704 88.2602      2.30531   82.3924      2.29272   225.657     206.485     56.3923     206.485     
1 1 1 5  4  7  o 296.785 2.22091 161.444      3.41615   161.583      3.41721   288.951     119.099     15.9272     119.099     
1 1 1 5  4  8  o 301.947 2.31188 169.008      3.73868   165.355      3.49655   296.148     218.79      20.6802     218.79      
1 1 1 5  4  9  o 267.92  2.34058 131.031      3.46721   132.197      3.01617   165.233     317.07      177.448     137.07      
1 1 1 5  4  10 o 80.3631 2.19517 10.5163      0.954324  13.2802      0.845369  16.5653     320.622     56.3661     140.621     
1 1 1 5  4  11 o 336.947 2.41362 207.836      4.34922   208.467      4.07719   271.356     109.926     98.3941     289.926     
1 1 1 5  4  12 o 133.357 2.07171 32.7614      1.38371   32.4413      1.47844   119.233     235.791     37.3689     235.791     
1 1 1 5  4  13 o 602.695 3.34789 673.619      9.69702   658.742      11.1533   650.567     101.843     146.479     101.843     
1 1 1 5  4  14 o 314.108 2.47112 182.149      3.73418   179.633      4.28958   223.639     330.409     146.78      150.409     
1 1 1 5  4  15 o 621.117 3.53002 714.528      10.9321   700.705      11.7738   549.62      195.074     88.2542     15.0736     
1 1 1 5  4  16 o 244.483 2.62423 112.732      3.48353   106.502      3.16729   206.704     215.422     39.2715     35.4219     
1 1 1 5  4  17 o 641.17  3.74143 761.779      12.4524   746.647      12.4167   636.225     64.8626     52.1094     64.8626     
1 1 1 5  4  18 o 71.8483 2.37123 9.25883      0.879434  9.71489      0.88159   2.03369     91.1551     67.3953     271.155     
1 1 1 5  4  19 o 290.027 2.28439 154.769      3.4357    153.69       3.43288   222.016     17.6142     96.2976     197.614     
1 1 1 5  4  20 o 287.489 2.28717 151.683      3.40826   151.423      3.40854   359.453     70.0919     195.92      70.0919     
1 1 1 5  4  21 o 154.056 2.11974 42.9355      1.69122   44.1079      1.69408   122.766     160.299     19.6187     340.299     
1 1 1 5  4  22 o 254.201 2.39357 121.736      3.16063   115.355      3.14593   246.607     84.7175     29.3999     84.7175     
1 1 1 5  4  23 o 76.7152 2.29995 10.8704      0.944131  10.7596      0.880078  2.72863     152.166     98.6745     332.166     
1 1 1 5  4  24 o 211.735 2.52509 83.2013      2.7784    81.3434      2.76431   129.548     221.923     127.165     41.9226     
1 1 1 5  4  25 o 109.274 2.73343 22.0008      1.55189   21.9006      1.53985   81.9546     140.757     15.1656     320.757     
1 1 1 5  4  26 o 37.0452 2.96583 2.58644      0.558145  2.52026      0.560745  15.7897     27.681      59.8362     27.681      
1 1 1 5  4  27 f 184.772 2.1813  64.168       2.09241   61.1724      2.08527   142.009     92.8556     0           0           
1 1 1 5  4  28 o 186.061 2.19005 63.4729      2.10909   63.6272      2.11536   158.762     77.4166     21.4278     257.417     
1 1 1 5  4  29 o 202.05  2.37605 75.7431      2.48712   74.2183      2.48974   208.084     289.776     49.6549     289.776     
1 1 1 5  4  30 o 82.7442 2.43924 11.5737      1.03328   13.6701      1.05036   55.0821     215.903     29.889      35.9032     
1 1 1 5  4  31 o 40.8938 2.8208  3.87392      0.589488  2.42122      0.567729  6.07407     140.464     70.1928     140.464     
1 1 1 5  4  32 o 166.258 2.21331 51.3442      1.91109   50.2006      1.90372   205.052     254.444     116.304     254.444     
1 1 1 5  4  33 f 33.4836 3.17935 2.33731      0.537174  1.87792      0.533044  24.7128     316.306     0           0           
1 1 1 5  4  34 o 56.9504 2.55003 5.79723      0.745913  6.18244      0.751483  43.9684     138.475     23.567      138.475     
1 1 1 5  4  35 o 122.632 2.268   27.4637      1.43601   27.8666      1.44493   91.2812     77.1016     32.7604     257.102     
1 1 1 5  4  36 o 52.9418 2.67033 5.87327      0.733739  4.54576      0.714893  23.8242     352.341     34.8197     172.341     
1 1 1 5  4  37 o 69.6263 2.47189 8.45959      0.883071  9.45833      0.893913  61.6264     284.028     46.1845     284.028     
1 1 1 5  4  38 f 55.7869 2.62294 5.22087      0.746298  6.34339      0.757324  64.1155     37.1005     0           0           
1 1 1 5  4  39 f 32.5086 4.0963  1.67965      0.637755  2.41849      0.688841  40.2456     97.0098     0           0           
1 1 1 5  4  40 o 84.3431 2.88771 13.4245      1.19999   13.0425      1.31283   84.6767     332.692     25.5949     332.692     
1 1 1 5  4  41 o 45.9091 3.20412 4.44877      0.714569  3.51992      0.771448  33.9994     147.009     5.89467     327.009     
1 1 1 5  4  42 o 23.8715 4.08366 1.6986       0.54128   0.573114     0.515521  5.55477     76.7339     46.6451     76.7339     
1 1 1 5  4  43 o 65.1474 2.85819 7.52152      0.925303  8.44069      0.995966  56.7748     268.405     4.4511      268.405     
1 1 1 5  4  44 o 16.9449 4.35372 0.512896     0.5008    0.446287     0.487942  3.0187      80.8492     7.75842     260.849     
1 1 1 5  4  45 o 19.7515 4.45643 0.959609     0.522573  0.546194     0.528301  8.37573     25.4534     8.19694     205.453     
1 1 1 5  4  46 o 71.5998 2.81843 9.97309      1.0915    9.45764      0.991885  68.0695     109.509     16.3805     109.509     
1 1 1 5  4  47 o 102.848 2.6331  20.6132      1.40798   19.3866      1.39428   98.9161     238.859     25.4895     238.859     
1 1 1 5  4  48 o 51.8953 2.86328 5.08247      0.765023  5.25017      0.763032  40.2489     199.444     4.65785     19.444      
1 1 1 5  4  49 o 55.2922 2.92643 5.49071      0.846828  6.32267      0.811185  53.0006     254.099     16.0875     254.099     
1 1 1 5  4  50 o 31.9706 4.11818 2.61672      0.662061  1.66212      0.642992  29.9086     304.489     11.7291     304.489     
1 1 1 5  4  51 o 23.8067 4.38201 1.39096      0.559449  1.05101      0.537921  11.008      313.188     13.7967     133.188     
1 1 1 5  4  52 o 42.9668 3.28579 3.37916      0.706322  4.05072      0.730404  36.9074     301.644     5.78216     301.644     
1 1 1 5  4  53 o 14.2327 4.13045 -0.138478    0.515565  0.521734     0.513371  2.2761      1.21909     14.1488     181.219     
1 1 1 5  4  54 o 21.7805 4.69955 1.31915      0.594352  0.920854     0.576644  12.7054     32.411      6.24676     212.411     
1 1 1 5  4  55 o 28.2005 4.43473 1.66647      0.616376  2.03011      0.648335  21.297      320.919     0.76167     320.919     
1 1 1 5  4  56 o 18.1154 4.87206 0.902932     0.655069  0.670089     0.612178  9.19137     169.742     3.90312     349.742     
1 1 1 5  4  57 o 19.4922 4.32769 -0.180904    0.611946  1.78544      0.637045  12.5131     42.3349     5.19524     42.3349     
1 1 1 5  4  58 o 14.9549 4.51036 0.13696      0.633622  0.620405     0.62405   1.04578     187.052     17.211      7.05226     
1 1 1 5  4  59 o 16.1539 4.42868 1.08725      0.592483  -0.0298428   0.592144  5.71807     74.6949     5.67523     254.695     
1 1 1 5  4  60 f 11.3334 3.76422 -1.28261     0.621103  0.253921     0.594296  2.90189     326.367     0           0           
1 1 1 5  4  61 o 15.0067 4.63566 0.627272     0.697528  0.337328     0.671162  4.42173     16.3659     1.27573     196.366     
1 1 1 5  4  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  5  0  o 361.199 2.35706 239.244      4.41229   239.244      4.41229   257.024     90          188.832     270         
1 1 1 5  5  1  o 243.155 2.08998 107.829      2.6332    109.004      2.63525   179.319     225.934     99.6908     45.9335     
1 1 1 5  5  2  o 139.897 1.95872 37.1792      1.42239   34.6132      1.41724   2.41496     90.1713     260.748     90.1713     
1 1 1 5  5  3  f 330.034 2.28738 199.719      3.91327   199.768      3.91305   252.107     322.077     0           0           
1 1 1 5  5  4  o 337.646 2.30735 209.628      4.03943   208.494      4.03728   281.58      230.608     81.9473     50.6076     
1 1 1 5  5  5  o 222.414 2.06714 89.0995      2.3808    92.3149      2.38514   154.36      291.763     107.644     111.763     
1 1 1 5  5  6  o 570.512 2.97533 602.741      8.80145   591.32       8.7959    591.306     148.041     83.0154     148.041     
1 1 1 5  5  7  o 103.474 1.96154 19.9336      1.05278   19.3544      1.04941   57.6247     48.9105     3.44481     48.9105     
1 1 1 5  5  8  o 417.822 2.51837 320.738      5.45568   319.459      5.45298   424.815     321.646     50.786      321.646     
1 1 1 5  5  9  o 421.501 2.53317 331.805      5.54292   319.743      5.52537   366.277     249.097     74.1763     69.0973     
1 1 1 5  5  10 o 338.014 2.32379 207.18       4.06868   211.759      4.07419   287.377     288.924     67.3568     108.924     
1 1 1 5  5  11 o 148.886 2.01389 41.9141      1.55646   39.3766      1.55107   150.844     275.038     81.0155     275.038     
1 1 1 5  5  12 o 129.377 2.00579 29.8576      1.34235   31.5213      1.34736   81.4452     117.594     55.1115     297.594     
1 1 1 5  5  13 o 513.771 2.81968 483.536      7.51143   484.456      7.50717   513.479     294.407     46.7285     294.407     
1 1 1 5  5  14 o 286.345 2.38822 150.109      3.54293   150.539      3.54673   202.595     201.7       133.042     21.7003     
1 1 1 5  5  15 o 636.899 3.57977 741.849      12.262    746.289      11.3544   697.371     45.1155     181.191     45.1155     
1 1 1 5  5  16 o 145.575 2.64043 38.4226      2.16794   39.327       1.79205   105.396     72.1906     39.0252     252.191     
1 1 1 5  5  17 o 67.5322 2.7133  8.13676      0.982563  8.64712      0.904368  31.6591     147.253     153.854     147.253     
1 1 1 5  5  18 o 324.323 2.5061  189.476      4.19927   196.309      4.22648   302.59      302.788     0.145414    302.783     
1 1 1 5  5  19 o 163.192 2.17648 48.7552      1.78196   48.9059      1.89863   62.9759     278.607     167.503     98.6075     
1 1 1 5  5  20 o 451.981 2.90022 382.339      6.30802   367.268      7.22969   407.304     52.1111     33.8        232.111     
1 1 1 5  5  21 o 119.993 2.19037 26.6608      1.32069   26.1692      1.40073   95.9414     276.909     20.4961     276.909     
1 1 1 5  5  22 o 60.6499 2.50286 5.56879      0.720985  8.09154      0.843141  31.2141     200.922     137.16      200.922     
1 1 1 5  5  23 o 122.293 2.45806 26.3511      1.55095   28.5976      1.5607    70.9736     60.7434     63.4462     240.743     
1 1 1 5  5  24 o 37.8582 3.15697 2.48263      0.613074  2.8622       0.597697  14.6456     171.344     43.3729     171.344     
1 1 1 5  5  25 o 30.2899 3.30815 1.82196      0.509575  1.63175      0.495358  24.3582     154.173     64.6773     154.173     
1 1 1 5  5  26 o 137.168 2.30068 35.8501      1.64331   33.2467      1.62719   126.832     61.2599     10.2196     61.2599     
1 1 1 5  5  27 o 346.72  2.45929 223.872      4.4246    217.652      4.41479   362.628     187.125     85.8821     187.125     
1 1 1 5  5  28 o 242.812 2.26231 110.389      2.85139   106.138      2.8428    267.615     126.559     92.2777     126.559     
1 1 1 5  5  29 o 82.9574 2.25134 12.3439      0.963898  12.9725      0.968391  71.8534     191.291     7.31508     191.291     
1 1 1 5  5  30 o 173.157 2.36279 57.1328      2.12801   53.0634      2.11194   150.341     207.72      10.8346     27.72       
1 1 1 5  5  31 o 163.729 2.29292 50.8935      1.88162   47.6202      2.00282   132.307     14.1143     29.0252     194.114     
1 1 1 5  5  32 o 64.7645 2.41243 7.89908      0.807876  7.5608       0.805915  55.843      190.953     15.5089     190.953     
1 1 1 5  5  33 o 149.332 2.22661 41.0335      1.72545   40.9075      1.72169   130.547     131.701     4.43614     311.701     
1 1 1 5  5  34 o 100.618 2.2869  17.8144      1.18632   19.4594      1.19469   90.7766     172.355     8.14549     172.355     
1 1 1 5  5  35 o 109.84  2.27996 21.1565      1.28779   23.2731      1.30414   90.5499     200.321     9.37434     20.3207     
1 1 1 5  5  36 o 156.059 2.26417 45.8962      1.83677   43.7301      1.82585   141.172     6.98458     8.5721      6.98457     
1 1 1 5  5  37 o 137.623 2.27964 36.6993      1.6375    33.0951      1.61292   146.259     358.028     53.5986     358.028     
1 1 1 5  5  38 o 78.2196 2.58521 11.5875      1.04958   11.0552      1.04075   62.583      345.038     7.72606     165.038     
1 1 1 5  5  39 o 51.1727 3.0645  4.9239       0.812505  4.86455      0.79799   47.7268     172.227     13.3038     172.227     
1 1 1 5  5  40 o 52.5864 2.72721 4.03946      0.71013   6.40795      0.741072  43.781      169.325     1.47204     169.325     
1 1 1 5  5  41 o 37.9966 3.3421  2.50043      0.638756  2.99431      0.644771  18.2373     163.041     23.832      343.041     
1 1 1 5  5  42 f 36.4494 3.17095 2.92003      0.589629  2.1604       0.573104  20.0467     98.6514     0           0           
1 1 1 5  5  43 o 46.0139 2.83768 4.25764      0.673824  3.74247      0.664478  28.7432     258.15      18.2672     78.1495     
1 1 1 5  5  44 o 50.3163 3.03333 5.29672      0.788675  4.35064      0.773371  43.312      53.0124     3.77149     53.0124     
1 1 1 5  5  45 o 16.8229 4.30975 0.928642     0.591757  -0.108544    0.471617  4.66906     90.924      33.6807     90.924      
1 1 1 5  5  46 o 45.7001 3.02681 3.91578      0.684753  4.08305      0.732498  40.0069     357.91      5.14714     357.91      
1 1 1 5  5  47 o 66.4586 2.95305 9.22001      0.981952  7.70026      1.0296    46.9221     206.077     16.6734     26.0771     
1 1 1 5  5  48 o 66.4761 2.77687 9.60386      0.937292  7.36815      0.951379  64.2291     259.478     19.0823     259.478     
1 1 1 5  5  49 o 26.7169 4.31481 1.1235       0.588646  1.89355      0.594568  20.1627     15.6759     0.593046    15.676      
1 1 1 5  5  50 o 14.6563 4.32835 0.389987     0.574079  -0.0440907   0.541     3.44416     338.483     9.40609     158.483     
1 1 1 5  5  51 o 17.9848 4.34477 0.237866     0.528682  0.981661     0.518071  4.59537     305.788     16.3587     125.788     
1 1 1 5  5  52 o 11.0733 3.55899 -0.818083    0.478316  0.130082     0.476999  1.02609     330.1       4.70812     150.1       
1 1 1 5  5  53 o 25.6662 4.53479 1.16389      0.630724  1.83632      0.597329  22.5928     292.796     8.56009     292.796     
1 1 1 5  5  54 o 20.2968 4.63163 0.800719     0.558812  1.12756      0.56253   6.54972     176.264     16.774      356.264     
1 1 1 5  5  55 o 13.9173 4.2063  -0.0543675   0.530806  0.438017     0.565667  3.08537     213.405     10.2843     33.4054     
1 1 1 5  5  56 o 24.4318 5.09458 2.0339       0.735456  1.12452      0.689338  17.7239     191.797     1.67937     191.797     
1 1 1 5  5  57 o 15.2898 4.45365 0.602622     0.568899  0.290219     0.584699  6.23923     232.136     2.76182     52.1355     
1 1 1 5  5  58 o 13.5963 4.2772  0.211817     0.604213  0.156221     0.609027  3.27415     116.913     4.36272     296.913     
1 1 1 5  5  59 o 14.9982 4.269   -0.285481    0.557242  0.988904     0.592478  2.83047     25.6433     10.8561     205.643     
1 1 1 5  5  60 o 16.2421 4.84805 0.566584     0.662453  0.752988     0.735783  3.93197     227.308     0.00864241  227.31      
1 1 1 5  5  61 o 10.1834 3.50453 -0.920843    0.657711  -0.363312    0.549601  0.00367602  3.47527     3.44499     3.4753      
1 1 1 5  5  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  6  0  o 94.8635 1.94303 16.5369      0.953637  16.5369      0.953637  52.8403     90          23.0521     270         
1 1 1 5  6  1  o 33.0803 2.17155 2.09395      0.369359  1.95462      0.366585  37.143      187.843     86.6963     187.843     
1 1 1 5  6  2  o 38.4788 2.13668 2.71861      0.42278   2.74413      0.422737  45.4144     344.217     113.151     344.217     
1 1 1 5  6  3  f 203.984 2.0246  79.4774      2.14488   73.1573      2.1343    203.327     202.749     0           0           
1 1 1 5  6  4  o 217.059 2.04619 89.4809      2.30642   83.3267      2.29626   200.189     275.279     0.285942    275.279     
1 1 1 5  6  5  o 168.67  1.98845 54.5937      1.74295   49.7718      1.73182   172.578     106.876     54.9271     106.876     
1 1 1 5  6  6  o 243.073 2.10551 106.884      2.65337   109.763      2.65212   263.639     316.028     78.975      316.028     
1 1 1 5  6  7  o 215.252 2.05782 85.7091      2.29847   84.1715      2.29356   112.634     226.1       177.029     46.0999     
1 1 1 5  6  8  o 584.38  3.01058 628.935      9.12386   623.522      9.11528   693.939     229.678     268.092     229.678     
1 1 1 5  6  9  o 265.623 2.15928 126.567      2.96845   132.148      2.97681   215.07      332.608     68.3127     152.608     
1 1 1 5  6  10 o 93.9523 2.00114 16.1243      0.97259   16.2673      0.974329  14.2926     334.938     184.111     334.938     
1 1 1 5  6  11 o 386.341 2.44922 273.29       4.90556   274.002      4.90423   427.207     162.294     123.834     162.294     
1 1 1 5  6  12 o 593.166 3.06768 656.57       9.45146   633.946      9.41163   605.275     126.166     77.8952     126.166     
1 1 1 5  6  13 o 255.536 2.31602 121.43       3.06799   118.01       3.06713   296.075     165.728     125.384     165.728     
1 1 1 5  6  14 o 29.4868 2.99706 1.58932      0.440237  1.66535      0.449638  29.5465     320.381     66.5667     320.381     
1 1 1 5  6  15 o 160.34  2.06661 46.9195      1.71435   47.3436      1.72093   171.074     313.919     89.3041     313.919     
1 1 1 5  6  16 o 194.122 2.43258 69.4414      2.4491    68.7479      2.44643   169.904     186.228     8.02079     6.22832     
1 1 1 5  6  17 o 311.012 2.6675  177.875      4.30269   176.893      4.29819   282.381     136.831     14.358      316.831     
1 1 1 5  6  18 o 169.783 2.09857 52.4422      1.84361   53.2641      1.85018   140.052     102.089     17.7221     282.089     
1 1 1 5  6  19 o 18.9717 3.82677 0.442612     0.404106  0.894642     0.409077  36.2078     267.748     75.9135     267.748     
1 1 1 5  6  20 o 303.042 2.30971 169.259      3.63004   167.597      3.62632   239.42      110.081     82.7956     290.081     
1 1 1 5  6  21 o 87.9232 2.16266 12.9523      0.973153  15.4953      0.990611  35.3709     2.09397     35.9572     182.094     
1 1 1 5  6  22 o 283.972 2.44312 148.345      3.60004   147.559      3.59247   313.197     289.333     108.414     289.333     
1 1 1 5  6  23 o 187.516 2.72091 63.5698      2.63844   65.5289      2.65076   171.919     337.215     8.99623     337.215     
1 1 1 5  6  24 o 138.493 2.58521 36.1998      1.93723   34.2841      1.77108   71.4915     296.316     103.607     116.316     
1 1 1 5  6  25 o 168.209 2.47229 51.4032      2.15066   52.4901      2.16056   184.008     359.725     68.0943     359.725     
1 1 1 5  6  26 o 245.585 2.50383 111.806      3.06831   109.703      3.29983   217.249     278.028     16.8624     98.0284     
1 1 1 5  6  27 f 14.843  3.81336 0.509165     0.385123  0.0634792    0.413156  33.8522     70.2754     0           0           
1 1 1 5  6  28 o 89.8162 2.29084 15.0611      1.03536   14.607       1.09238   94.3251     153.732     45.2633     153.732     
1 1 1 5  6  29 o 181.288 2.261   61.1221      2.05939   59.6009      2.18627   142.97      198.829     41.5744     18.8285     
1 1 1 5  6  30 o 141.02  2.34969 34.4174      1.70126   38.7121      1.73111   127.696     351.977     5.02848     351.977     
1 1 1 5  6  31 o 343.027 2.65779 212.318      4.71081   220.395      4.74014   342.22      186.389     62.5017     186.389     
1 1 1 5  6  32 o 98.8067 2.26393 18.1889      1.15983   17.7226      1.15605   73.2307     234.507     25.425      54.5075     
1 1 1 5  6  33 o 187.72  2.24646 66.0848      2.1916    63.4387      2.17984   170.143     273.659     5.14125     273.659     
1 1 1 5  6  34 o 176.8   2.24873 58.6476      2.06609   56.2836      2.05522   167.809     308.671     22.1985     308.671     
1 1 1 5  6  35 f 80.045  2.39413 13.7024      1.00317   10.0573      0.966267  71.3172     290.272     0           0           
1 1 1 5  6  36 o 93.3997 2.33531 16.6087      1.13504   15.5574      1.12213   74.5307     102.974     9.98621     282.974     
1 1 1 5  6  37 o 84.0922 2.38189 12.8831      1.03431   13.2252      1.03792   95.2066     50.8764     52.4496     50.8764     
1 1 1 5  6  38 o 59.563  2.93956 6.32007      0.900704  6.88961      0.901729  45.4618     133.758     8.28166     313.758     
1 1 1 5  6  39 o 126.445 2.39259 28.3148      1.51112   30.8564      1.62311   136.728     182.091     54.5346     182.091     
1 1 1 5  6  40 o 33.7103 3.37418 1.80445      0.564449  2.55529      0.56671   16.7889     106.252     17.6456     286.252     
1 1 1 5  6  41 o 104.498 2.52837 21.6549      1.37624   18.9974      1.35557   94.1997     352.928     9.48815     352.928     
1 1 1 5  6  42 o 105.548 2.37004 22.1157      1.30569   19.3803      1.28153   103.954     138.849     27.9526     138.849     
1 1 1 5  6  43 o 39.1079 3.06002 2.8541       0.613547  2.97328      0.605877  34.5564     295.051     7.62875     295.051     
1 1 1 5  6  44 o 47.6116 3.66178 5.57251      0.835466  3.34068      0.872479  37.8293     140.591     2.57053     320.591     
1 1 1 5  6  45 o 74.3317 3.07759 11.2377      1.23706   9.83676      1.12506   71.4251     275.336     18.4477     275.336     
1 1 1 5  6  46 o 18.7299 4.12944 1.07345      0.489894  0.220147     0.483996  8.29543     119.238     9.1005      299.238     
1 1 1 5  6  47 o 21.8727 4.31881 1.45038      0.554618  0.502244     0.531762  15.7691     148.552     2.98633     148.552     
1 1 1 5  6  48 o 11.3797 3.59667 -0.00105018  0.427848  -0.29825     0.452298  0.224043    126.739     3.55703     306.739     
1 1 1 5  6  49 o 19.0619 4.40264 0.536509     0.505688  0.931076     0.514092  8.33638     220.15      9.56008     40.1501     
1 1 1 5  6  50 o 52.923  3.02583 5.61816      0.848513  5.3322       0.797574  49.9567     232.21      14.9405     232.209     
1 1 1 5  6  51 o 15.3417 4.25508 0.643596     0.512785  -0.0700125   0.545654  6.15763     15.5033     4.52474     195.503     
1 1 1 5  6  52 o 16.3242 3.88926 -0.602547    0.465176  1.20827      0.553585  6.54977     173.06      2.22239     173.06      
1 1 1 5  6  53 o 20.6906 4.30274 1.5546       0.556241  0.261786     0.589267  15.9917     2.4937      4.69708     2.4937      
1 1 1 5  6  54 o 33.3911 4.03724 2.62395      0.675047  2.29215      0.670474  29.6813     147.046     8.81516     147.046     
1 1 1 5  6  55 o 18.0594 4.68518 1.24041      0.651996  0.200127     0.586289  8.56567     285.316     3.18854     285.316     
1 1 1 5  6  56 o 32.6341 4.92821 3.06818      0.836063  2.30607      0.784303  25.0976     86.4986     1.79649     86.4986     
1 1 1 5  6  57 o 13.7936 4.02024 0.824681     0.561635  -0.641055    0.519398  2.73172     50.1594     0.57789     230.159     
1 1 1 5  6  58 o 14.2882 4.38699 0.628192     0.632509  -0.112473    0.61716   2.70549     35.5827     10.2197     215.583     
1 1 1 5  6  59 f 13.2868 4.18436 0.458803     0.619813  -0.17454     0.56317   9.40498     28.7945     0           0           
1 1 1 5  6  60 o 14.3393 4.42939 0.698706     0.651861  -0.0998267   0.642157  1.32546     120.049     0.481138    300.049     
1 1 1 5  6  61 o 12.8716 4.15927 -0.677112    0.633897  0.578197     0.67014   2.59954     68.9195     2.96662     248.919     
1 1 1 5  7  0  o 143.827 1.96391 37.9584      1.46294   37.9584      1.46294   99.2203     90          78.5667     270         
1 1 1 5  7  1  o 544.508 2.87258 546.53       8.1119    540.842      8.10376   592.752     355.822     141.433     355.822     
1 1 1 5  7  2  o 310.427 2.23011 177.442      3.58859   175.893      3.58843   288.297     154.118     10.0377     334.118     
1 1 1 5  7  3  o 158.022 1.97488 45.0373      1.61637   46.52        1.61869   58.6146     304.548     170.169     124.548     
1 1 1 5  7  4  o 409.781 2.58223 307.717      5.29246   308.037      5.67119   403.006     198.326     24.9822     198.326     
1 1 1 5  7  5  o 382.234 2.41197 270.563      4.7816    265.169      4.77599   388.78      79.5336     51.4652     79.5336     
1 1 1 5  7  6  o 155.644 1.97313 45.227       1.59354   43.5949      1.58994   110.501     342.081     53.9124     162.081     
1 1 1 5  7  7  o 347.029 2.33271 226.164      4.20244   215.462      4.18845   405.167     34.797      157.597     34.797      
1 1 1 5  7  8  o 273.068 2.17207 139.176      3.07834   134.237      3.07006   285.842     107.773     63.9809     107.773     
1 1 1 5  7  9  o 337.346 2.31137 208.107      4.04181   209.157      4.04178   357.08      257.149     79.6224     257.149     
1 1 1 5  7  10 o 84.3315 2.01769 14.1068      0.884112  12.0381      0.873938  24.0513     338.111     26.7438     158.111     
1 1 1 5  7  11 o 358.397 2.37877 231.52       4.41719   239.499      4.42041   359.396     247.656     43.7317     247.656     
1 1 1 5  7  12 o 131.057 2.14294 32.432       1.45684   30.5576      1.45386   102.769     308.78      5.04754     128.78      
1 1 1 5  7  13 o 506.371 2.9898  468.226      7.84329   472.223      7.852     544.501     327.056     130.008     327.056     
1 1 1 5  7  14 o 325.463 2.31914 194.361      3.91331   194.056      3.91178   319.615     205.294     31.525      205.294     
1 1 1 5  7  15 o 472.056 2.70343 408.624      6.61864   408.648      6.61166   397.427     92.6103     96.7967     272.61      
1 1 1 5  7  16 o 286.714 2.59193 151.097      3.85578   150.398      3.84852   231.315     218.097     69.8545     38.0973     
1 1 1 5  7  17 o 295.732 2.52293 156.479      3.71299   164.344      4.02173   280.775     272.095     14.509      272.095     
1 1 1 5  7  18 o 310.827 2.31582 175.293      3.72806   179.068      3.73419   306.186     120.899     37.5902     120.899     
1 1 1 5  7  19 o 171.017 2.10629 52.6901      1.86366   54.5852      1.8704    141.507     184.978     16.6688     4.97788     
1 1 1 5  7  20 o 169.9   2.10569 52.611       1.85185   53.2704      1.85707   162.116     327.439     32.1005     327.439     
1 1 1 5  7  21 o 188.313 2.27092 63.8979      2.21548   66.2176      2.21748   184.821     202.02      38.3085     202.02      
1 1 1 5  7  22 o 13.4917 3.53971 -0.120921    0.363816  0.472804     0.359559  32.7814     112.038     67.6526     112.038     
1 1 1 5  7  23 o 39.6057 3.02146 2.21331      0.567187  3.71473      0.634467  54.0704     213.852     157.109     213.852     
1 1 1 5  7  24 o 141.887 2.47701 35.9011      1.81224   38.0571      1.82916   138.992     265.48      28.4408     265.48      
1 1 1 5  7  25 o 89.2782 2.44362 14.6847      1.17553   14.6285      1.08002   94.6672     45.325      48.5714     45.325      
1 1 1 5  7  26 o 29.2936 3.35901 1.77985      0.495207  1.46519      0.487575  14.0413     39.1894     52.6422     39.1894     
1 1 1 5  7  27 o 100.827 2.26668 18.0906      1.14045   19.2912      1.22615   117.774     276.158     86.8159     276.158     
1 1 1 5  7  28 o 119.798 2.2412  27.6847      1.44063   25.0954      1.34102   115.586     234.292     21.8811     234.292     
1 1 1 5  7  29 o 227.158 2.32141 96.3         2.82358   93.2835      2.64267   235.526     110.839     60.787      110.839     
1 1 1 5  7  30 o 95.3345 2.39054 16.7127      1.24964   16.7273      1.10466   98.4839     109.969     37.6826     109.969     
1 1 1 5  7  31 o 203.467 2.49321 76.5457      2.71448   75.6391      2.54277   198.304     324.31      31.6994     324.31      
1 1 1 5  7  32 o 141.469 2.47544 38.6064      1.73534   35.0486      1.8801    162.653     23.3513     77.1786     23.3513     
1 1 1 5  7  33 o 42.4495 2.91006 3.40945      0.618951  3.28941      0.644627  10.554      290.209     40.7666     110.209     
1 1 1 5  7  34 o 52.3916 2.72475 5.72173      0.722141  4.47931      0.736348  32.8012     18.7775     11.245      198.778     
1 1 1 5  7  35 o 88.0206 2.40925 14.8441      1.07205   13.7331      1.11863   81.645      247.018     16.9541     247.018     
1 1 1 5  7  36 o 142.032 2.27833 38.4089      1.67955   35.9051      1.67397   137.782     339.694     28.0961     339.694     
1 1 1 5  7  37 o 28.0361 3.91872 1.12528      0.547166  1.94204      0.548849  6.19182     168.8       5.80412     348.8       
1 1 1 5  7  38 o 142.847 2.61551 37.0381      1.9317    38.5151      1.93796   137.172     250.095     25.4344     250.095     
1 1 1 5  7  39 o 80.3217 2.39904 12.384       1.00244   11.5352      0.990188  87.3328     111.165     39.2991     111.165     
1 1 1 5  7  40 o 55.746  2.61144 6.60765      0.762089  5.03446      0.731381  45.1792     274.201     1.56934     94.201      
1 1 1 5  7  41 o 55.9135 2.83693 6.0401       0.818064  5.6899       0.814954  65.0944     160.047     43.1856     160.047     
1 1 1 5  7  42 o 51.7302 2.83576 5.46972      0.725772  4.62965      0.77316   50.6406     122.183     17.2764     122.183     
1 1 1 5  7  43 f 26.0742 3.87612 1.14603      0.505981  1.56541      0.509703  32.5829     245.751     0           0           
1 1 1 5  7  44 o 20.3606 4.52868 0.571667     0.557833  1.03973      0.536724  9.09294     12.696      8.96018     192.696     
1 1 1 5  7  45 o 53.5926 2.96135 5.68752      0.818143  5.26765      0.813279  49.2197     284.151     9.93651     284.151     
1 1 1 5  7  46 o 51.9058 2.9342  5.51688      0.819567  4.80704      0.746767  40.9407     56.5106     3.55967     236.511     
1 1 1 5  7  47 f 25.9087 3.92368 0.328218     0.54854   2.54747      0.604027  12.6412     205.624     0           0           
1 1 1 5  7  48 o 19.2432 4.43276 1.0812       0.562942  0.404475     0.491468  10.7731     218.2       2.9542      218.2       
1 1 1 5  7  49 o 44.4997 3.12864 3.12803      0.68798   4.71099      0.712686  35.0058     262.125     1.29726     82.1249     
1 1 1 5  7  50 o 39.5462 3.32361 3.04369      0.672626  3.19695      0.662482  31.6799     143.654     0.865324    143.654     
1 1 1 5  7  51 o 57.6103 3.07795 6.61405      0.905607  6.54093      0.918926  52.2648     44.3305     12.2335     44.3305     
1 1 1 5  7  52 o 14.8872 4.29698 0.181216     0.529513  0.429268     0.527405  4.80374     183.719     0.466281    183.719     
1 1 1 5  7  53 o 14.7474 4.11507 -0.132567    0.5001    0.695347     0.509373  6.16327     317.212     0.659622    317.212     
1 1 1 5  7  54 o 11.249  3.66007 -0.326553    0.477671  -0.0590167   0.507054  0.502126    203.608     1.00907     23.6084     
1 1 1 5  7  55 o 20.4681 5.03385 1.31832      0.677229  0.831761     0.650751  13.3339     39.1798     1.3847      39.1798     
1 1 1 5  7  56 o 17.0988 4.638   0.794179     0.593927  0.589718     0.561088  7.99336     172.566     4.75116     352.566     
1 1 1 5  7  57 o 18.291  4.76072 0.588033     0.61104   1.13372      0.612235  10.168      64.3372     1.39027     244.337     
1 1 1 5  7  58 o 13.7919 4.25853 0.589416     0.607202  -0.222375    0.595385  2.71014     272.518     4.35293     92.5181     
1 1 1 5  7  59 o 18.4075 4.93655 0.833736     0.632753  1.07001      0.666252  8.4444      317.896     4.20613     137.896     
1 1 1 5  7  60 o 51.4312 3.76207 5.97421      0.956902  6.48611      1.02039   52.4953     310.711     29.2397     310.711     
1 1 1 5  7  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  8  0  o 362.195 2.35704 240.522      4.42444   240.522      4.42444   363.763     90          29.7685     90          
1 1 1 5  8  1  o 174.149 1.9893  55.1557      1.795     56.0346      1.79646   10.4503     177.149     301.594     357.149     
1 1 1 5  8  2  o 305.399 2.30151 167.835      3.51088   174.166      3.77516   252.016     231.984     71.7701     51.9843     
1 1 1 5  8  3  o 282.178 2.34091 146.22       3.42334   145.73       3.42474   249.109     333.271     30.7066     153.271     
1 1 1 5  8  4  o 269.023 2.31367 135.297      3.22927   130.088      3.22275   231.217     274.752     40.4932     94.7519     
1 1 1 5  8  5  o 559.316 3.14738 575.571      9.12524   571.781      9.1249    508.366     121.225     51.9164     301.225     
1 1 1 5  8  6  o 540.152 3.09095 532.45       8.65031   537.611      8.65846   591.12      282.855     153.179     282.855     
1 1 1 5  8  7  o 450.965 2.70459 366.371      6.09468   379.453      6.54824   403.088     154.21      51.0723     334.21      
1 1 1 5  8  8  o 397.978 2.45966 290.154      5.07445   290.618      5.07389   325.284     156.504     103.679     336.504     
1 1 1 5  8  9  o 133.236 1.99138 32.2605      1.37516   32.8245      1.37542   105.255     330.224     59.9563     330.224     
1 1 1 5  8  10 o 487.919 2.81332 432.579      6.88244   440.512      7.34454   514.848     165.165     105.513     165.165     
1 1 1 5  8  11 o 493.981 2.92328 447.31       7.48236   447.653      7.48834   466.704     23.8712     2.32346     203.872     
1 1 1 5  8  12 o 182.257 2.18209 60.232       2.0581    61.5704      2.06483   170.855     243.048     21.0511     243.048     
1 1 1 5  8  13 o 240.173 2.14359 104.163      2.66628   107.358      2.67071   281.751     118.361     132.822     118.361     
1 1 1 5  8  14 o 230.991 2.13717 99.8655      2.56292   95.8063      2.55436   158.758     5.74551     107.185     185.746     
1 1 1 5  8  15 o 267.227 2.45812 132.606      3.54172   129.303      3.26571   275.309     32.0472     61.187      32.0472     
1 1 1 5  8  16 o 292.587 2.61544 158.631      3.97612   155.396      3.95716   237.812     307.707     66.4246     127.707     
1 1 1 5  8  17 o 105.198 2.24304 22.303       1.22682   18.4163      1.20974   64.7008     242.245     17.1739     62.2449     
1 1 1 5  8  18 o 147.237 2.08749 39.5117      1.5918    40           1.59458   128.201     354.514     10.8364     354.514     
1 1 1 5  8  19 o 130.313 2.07387 31.7975      1.40259   30.4976      1.39879   63.7577     309.991     94.8279     129.991     
1 1 1 5  8  20 o 270.804 2.39799 133.332      3.36631   135.769      3.36577   265.125     219.456     35.6247     219.456     
1 1 1 5  8  21 f 175.135 2.26014 54.6069      2.04916   57.9701      2.05322   196.363     348.508     0           0           
1 1 1 5  8  22 o 119.148 2.19369 25.5161      1.39248   26.6067      1.31249   119.849     321.441     81.119      321.441     
1 1 1 5  8  23 o 92.5361 2.31421 15.5738      1.10509   15.9002      1.1115    60.0489     62.3374     34.9418     242.337     
1 1 1 5  8  24 o 152.028 2.39    42.6191      1.95537   42.248       1.80927   151.26      259.106     29.1905     259.106     
1 1 1 5  8  25 o 155.629 2.49422 44.6737      2.01086   44.2937      2.01338   171.616     346.68      65.2759     346.68      
1 1 1 5  8  26 o 58.8152 2.51949 6.98978      0.768557  5.79425      0.756271  37.633      198.593     5.48809     18.5927     
1 1 1 5  8  27 o 162.099 2.1649  48.6037      1.81922   47.8914      1.81884   142.126     312.783     6.72751     132.783     
1 1 1 5  8  28 o 166.054 2.17982 51.3752      1.87633   49.902       1.87596   187.285     72.559      79.7053     72.559      
1 1 1 5  8  29 o 51.3241 2.5228  5.22408      0.665361  4.51759      0.665713  27.5779     205.529     13.6934     25.5287     
1 1 1 5  8  30 o 47.0421 2.62535 4.36105      0.635595  3.8348       0.632403  23.7184     249.397     13.1993     69.3974     
1 1 1 5  8  31 o 201.882 2.32506 74.6822      2.51229   75.1083      2.35074   151.993     199.823     57.944      19.8225     
1 1 1 5  8  32 o 36.1475 3.34353 2.57055      0.614357  2.33205      0.607587  6.20039     347.758     4.87109     167.758     
1 1 1 5  8  33 o 182.928 2.24885 61.4769      2.12969   61.5609      2.13515   182.614     21.6933     41.9012     21.6933     
1 1 1 5  8  34 o 21.6145 4.0896  0.717457     0.461853  1.07705      0.481433  8.72637     280.336     27.3359     280.336     
1 1 1 5  8  35 o 17.0663 4.23363 0.457085     0.475204  0.502513     0.451981  13.0044     59.9152     34.2384     59.9152     
1 1 1 5  8  36 o 88.972  2.42505 14.9408      1.15654   14.2994      1.07599   96.3761     265.883     43.4116     265.883     
1 1 1 5  8  37 o 134.988 2.60878 32.4272      1.82066   35.0217      1.82485   117.89      273.779     0.420883    273.779     
1 1 1 5  8  38 o 84.0925 2.64353 13.2281      1.18589   13.0193      1.11227   82.9841     82.3243     22.856      82.3243     
1 1 1 5  8  39 o 133.118 2.43639 32.6053      1.67555   33.0935      1.68396   128.161     182.364     26.6287     182.364     
1 1 1 5  8  40 o 121.43  2.40639 29.4494      1.47538   25.3855      1.53891   119.33      32.6454     30.5347     32.6454     
1 1 1 5  8  41 o 64.285  2.83265 7.88809      0.899264  7.62867      0.975759  60.2689     261.476     13.5672     261.476     
1 1 1 5  8  42 o 12.6994 3.80787 -0.00402731  0.412177  0.093962     0.45736   1.68707     159.141     9.34573     159.141     
1 1 1 5  8  43 o 55.6084 3.03321 5.48443      0.86155   6.29413      0.870654  54.9481     107.589     18.3262     107.589     
1 1 1 5  8  44 o 63.7626 2.76884 7.75414      0.911931  7.63732      0.909524  60.1423     134.372     14.2139     134.372     
1 1 1 5  8  45 o 28.2296 3.97179 1.95046      0.545351  1.27581      0.57239   8.55802     182.637     27.9587     2.63651     
1 1 1 5  8  46 o 52.5466 3.00495 4.9995       0.806625  5.6266       0.814328  54.9981     97.1155     24.6893     97.1155     
1 1 1 5  8  47 o 33.3708 3.79509 2.11947      0.62557   2.36658      0.64226   25.3004     237.882     1.78958     57.8822     
1 1 1 5  8  48 o 26.4406 4.17089 1.0765       0.572185  1.86741      0.55538   21.8851     45.9553     5.58725     45.9553     
1 1 1 5  8  49 o 63.4563 2.70699 7.96623      0.889596  7.55619      0.882611  57.4597     231.909     12.1671     231.909     
1 1 1 5  8  50 o 42.136  3.25284 3.56582      0.698796  3.52512      0.699064  32.9938     279.681     0.835615    99.6811     
1 1 1 5  8  51 o 15.1953 4.3408  0.0867413    0.516924  0.551521     0.560867  6.25841     168.38      0.424951    348.38      
1 1 1 5  8  52 o 17.9479 4.53546 0.343345     0.532842  1.00155      0.577863  11.4179     70.2918     0.940237    70.2918     
1 1 1 5  8  53 o 41.9469 3.37815 3.73528      0.730279  3.60318      0.712664  43.2808     66.5269     22.0604     66.5269     
1 1 1 5  8  54 o 11.6377 3.82708 -0.229401    0.566011  -0.261337    0.550762  1.03215     200.152     15.0985     200.152     
1 1 1 5  8  55 o 14.0047 4.20989 0.0564902    0.538678  0.440515     0.545204  3.16489     101.986     1.25774     281.986     
1 1 1 5  8  56 o 27.993  4.43286 2.81558      0.678477  1.15555      0.632956  24.007      183.969     8.54485     183.969     
1 1 1 5  8  57 o 14.5873 4.25537 -0.173872    0.551267  0.810384     0.577339  4.49841     160.844     3.32007     340.844     
1 1 1 5  8  58 o 20.7355 5.06579 0.935834     0.662582  1.55039      0.691599  12.0069     69.2954     0.235686    69.2953     
1 1 1 5  8  59 o 14.9135 4.5276  -0.149144    0.657308  0.865263     0.674233  4.27203     61.0729     5.25674     241.073     
1 1 1 5  8  60 o 17.7483 4.7716  1.24866      0.647224  0.550612     0.60619   6.64281     225.072     2.48662     225.072     
1 1 1 5  8  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  9  0  o 308.056 2.22896 174.001      3.55846   174.001      3.55846   371.93      90          152.997     90          
1 1 1 5  9  1  o 493.258 2.83087 445.578      6.98494   446.674      7.48329   535.347     49.3073     134.549     49.3073     
1 1 1 5  9  2  o 256.139 2.28663 119.308      3.0352    121.251      3.03668   278.851     231.26      87.5901     231.26      
1 1 1 5  9  3  o 266.055 2.31614 129.156      3.19356   130.39       3.19486   360.708     265.181     247.56      265.181     
1 1 1 5  9  4  o 500.75  2.83781 468.412      7.6329    451.247      7.09754   482.174     257.733     13.3221     257.733     
1 1 1 5  9  5  o 53.2468 2.27888 5.13273      0.65377   5.30173      0.595788  51.9491     278.138     163.325     278.138     
1 1 1 5  9  6  f 297.943 2.29427 165.88       3.67597   159.642      3.40977   339.197     92.0107     0           0           
1 1 1 5  9  7  o 104.521 2.17015 19.6297      1.17409   20.4651      1.17454   49.1633     275.394     60.2907     95.3937     
1 1 1 5  9  8  o 554.368 3.26844 564.76       9.75301   562.559      9.0185    598         354.814     145.85      354.814     
1 1 1 5  9  9  o 176.732 2.26427 55.845       1.97981   58.7015      2.16827   203.853     169.441     133.859     169.441     
1 1 1 5  9  10 o 322.842 2.4416  192.302      4.08497   189.909      4.08684   293.496     315.868     15.4585     135.868     
1 1 1 5  9  11 o 98.1976 2.16774 18.0984      1.1022    17.2985      1.10152   7.43515     153.469     176.929     153.469     
1 1 1 5  9  12 o 191.219 2.06678 66.3272      2.04633   67.7509      2.05073   155.509     308.121     31.2848     128.121     
1 1 1 5  9  13 o 238.573 2.14066 106.361      2.65085   102.372      2.64312   267.776     330.089     106.949     330.089     
1 1 1 5  9  14 o 235.575 2.21707 102.955      2.79725   100.574      2.61621   226.817     292.072     26.324      292.072     
1 1 1 5  9  15 o 99.6895 2.41078 17.6755      1.24302   18.8288      1.24394   55.7429     77.7475     7.87728     257.747     
1 1 1 5  9  16 o 125.196 2.39001 28.0063      1.54752   29.5423      1.55096   75.1155     238.982     57.0072     58.9818     
1 1 1 5  9  17 o 98.8391 2.18218 17.0796      1.07438   18.8106      1.15946   40.2224     332.132     69.5054     152.132     
1 1 1 5  9  18 o 89.2769 2.12635 14.0216      0.976674  15.2627      0.987656  40.9795     133.13      18.9094     313.13      
1 1 1 5  9  19 o 149.616 2.23201 41.9261      1.73623   40.2152      1.72548   101.511     29.425      58.8537     209.425     
1 1 1 5  9  20 o 36.9986 2.82935 2.05184      0.5214    3.08773      0.52728   17.5031     40.8593     51.71       40.8593     
1 1 1 5  9  21 o 97.1237 2.13899 18.2935      1.07714   16.3833      1.07178   48.2251     92.2208     67.1965     272.221     
1 1 1 5  9  22 o 116.796 2.21427 26.7142      1.29836   23.4314      1.37097   58.1142     64.8232     91.1817     244.823     
1 1 1 5  9  23 o 183.13  2.29768 60.6117      2.17708   62.5256      2.1849    221.8       351.22      114.128     351.22      
1 1 1 5  9  24 o 237.951 2.2225  101.726      2.73394   106.191      2.74804   264.303     73.407      95.2391     73.407      
1 1 1 5  9  25 o 97.3915 2.53799 18.9885      1.2834    15.9745      1.26868   90.684      113.677     16.1216     113.677     
1 1 1 5  9  26 o 132.608 2.39951 32.7592      1.71831   31.872       1.57758   137.658     12.3957     42.6024     12.3957     
1 1 1 5  9  27 o 10.9957 3.33444 0.0467521    0.348832  -0.104183    0.335078  26.4454     9.90806     55.9939     9.90806     
1 1 1 5  9  28 o 113.413 2.19006 23.3272      1.28396   23.9559      1.28854   45.7578     333.979     109.506     153.979     
1 1 1 5  9  29 o 164.53  2.19138 49.2735      1.86551   50.1699      1.87231   140.197     142.332     13.1937     322.332     
1 1 1 5  9  30 o 114.456 2.22072 23.5537      1.31528   24.6221      1.31684   117.511     53.3248     36.5324     53.3248     
1 1 1 5  9  31 o 145.606 2.2155  39.9444      1.67604   37.9872      1.6677    133.455     319.901     10.0535     319.901     
1 1 1 5  9  32 o 87.2376 2.49767 15.0347      1.13368   13.0467      1.1173    68.565      229.59      10.739      49.5897     
1 1 1 5  9  33 o 64.9957 2.5521  7.45656      0.818487  8.15451      0.894851  29.7529     180.918     47.5061     0.917818    
1 1 1 5  9  34 o 26.0123 3.77629 1.68674      0.489644  0.944287     0.496066  5.1611      181.182     31.2064     181.182     
1 1 1 5  9  35 o 50.1252 2.64385 4.13297      0.667338  5.22352      0.691732  27.3859     339.902     24.8927     159.902     
1 1 1 5  9  36 o 54.7816 2.7401  6.04709      0.773356  5.12692      0.768808  13.7682     98.8336     65.0488     278.834     
1 1 1 5  9  37 f 19.2865 4.12473 0.358472     0.466283  1.00769      0.476791  11.7381     180.222     0           0           
1 1 1 5  9  38 o 40.2072 2.95887 2.5545       0.591497  3.56497      0.611781  27.141      327.41      8.68535     147.41      
1 1 1 5  9  39 o 84.0909 2.38173 12.1247      1.02004   14.176       1.04932   75.3295     115.756     8.11752     115.756     
1 1 1 5  9  40 o 49.1214 2.73302 4.098        0.682277  4.97973      0.693858  34.58       315.858     11.4049     135.858     
1 1 1 5  9  41 o 11.6953 3.61206 -0.0749737   0.419219  -0.0462571   0.409236  1.88964     158.45      7.05145     158.45      
1 1 1 5  9  42 o 19.6666 4.35896 0.850173     0.485412  0.653569     0.509949  6.46253     264.732     12.2546     84.7324     
1 1 1 5  9  43 o 31.4059 3.97273 2.42035      0.6261    1.54536      0.609801  24.4923     253.362     0.359176    253.362     
1 1 1 5  9  44 o 18.6897 4.27309 0.489913     0.495621  0.843498     0.469338  10.3572     329.363     0.0730607   329.363     
1 1 1 5  9  45 o 23.248  4.23135 1.47318      0.530912  0.751908     0.526594  12.1269     325.837     10.5567     145.837     
1 1 1 5  9  46 o 18.9477 4.6278  0.718291     0.544447  0.68102      0.560695  5.9152      53.9426     15.0695     233.943     
1 1 1 5  9  47 o 12.4401 3.73614 0.356254     0.464775  -0.565956    0.461848  1.2616      107.768     5.7793      287.768     
1 1 1 5  9  48 o 30.941  4.19019 2.62362      0.644707  1.43339      0.641294  28.408      92.7937     10.804      92.7937     
1 1 1 5  9  49 o 48.9452 3.01804 4.83844      0.748115  4.56457      0.766512  42.7758     225.035     7.3996      225.035     
1 1 1 5  9  50 o 23.4374 4.38897 0.98761      0.550103  1.4263       0.546318  17.4359     156.052     1.40965     156.052     
1 1 1 5  9  51 o 9.87384 3.30604 -0.358129    0.470138  -0.464567    0.427687  0.55906     2.31721     9.18348     2.31721     
1 1 1 5  9  52 o 19.7672 4.82243 0.793858     0.596713  1.02466      0.607969  14.2083     102.332     2.90598     102.332     
1 1 1 5  9  53 o 20.4179 4.6448  1.03307      0.564831  0.959572     0.551612  14.8232     181.648     6.29319     181.648     
1 1 1 5  9  54 o 14.0186 4.26865 0.0233467    0.560116  0.397394     0.576281  3.22653     100.823     8.76768     280.823     
1 1 1 5  9  55 o 27.4243 4.59754 1.66213      0.653156  2.05068      0.639201  18.1041     284.164     3.69899     104.164     
1 1 1 5  9  56 o 12.7152 4.02056 0.182223     0.560523  -0.0223854   0.526565  2.59599     336.468     4.68736     156.468     
1 1 1 5  9  57 o 19.2132 4.78341 1.24999      0.619062  0.750899     0.585454  8.7355      133.297     3.14638     133.297     
1 1 1 5  9  58 o 24.07   5.03544 1.43078      0.70271   1.83224      0.663364  16.5085     267.961     2.04122     267.961     
1 1 1 5  9  59 o 10.2186 3.52027 -0.561347    0.580809  -0.677314    0.623261  1.13522     317.501     9.43023     317.501     
1 1 1 5  9  60 o 13.1775 4.1758  0.35062      0.583193  0.0104555    0.608849  3.13185     243.497     2.41252     63.4974     
1 1 1 5  10 0  o 457.558 2.6139  383.857      6.19873   383.857      6.19873   439.684     90          6.05109     90          
1 1 1 5  10 1  o 511.074 2.98461 476.351      7.90318   481.649      7.91032   493.401     330.085     19.6857     330.085     
1 1 1 5  10 2  o 379.743 2.59235 266.148      5.10277   262.677      5.1028    298.267     167.269     118.65      347.269     
1 1 1 5  10 3  o 143.655 1.97079 37.9964      1.46811   37.667       1.46697   105.673     325.859     32.5362     145.859     
1 1 1 5  10 4  o 266.752 2.24223 131.921      3.21339   129          2.98547   309.07      77.4301     132.07      77.4301     
1 1 1 5  10 5  o 410.693 2.79864 310.033      5.7043    308.568      6.20002   333.839     133.658     106         313.658     
1 1 1 5  10 6  o 298.247 2.50363 162.365      3.70047   163.835      4.03493   312.16      204.084     72.9094     204.084     
1 1 1 5  10 7  o 214.411 2.19842 83.098       2.45753   85.4811      2.42833   208.641     162.274     31.9897     162.274     
1 1 1 5  10 8  o 392.577 2.71749 282.031      5.74753   283.214      5.30247   328.925     73.7519     78.797      253.752     
1 1 1 5  10 9  f 212.425 2.4099  82.3003      2.64924   83.1835      2.65795   211.343     157.042     0           0           
1 1 1 5  10 10 o 108.671 2.18001 20.5662      1.20841   22.8026      1.24425   50.4095     113.583     70.3807     293.583     
1 1 1 5  10 11 o 262.419 2.16199 125.701      2.94012   126.833      2.94162   269.833     305.6       60.8259     305.6       
1 1 1 5  10 12 o 236.227 2.13544 104.425      2.61964   100.242      2.60946   202.836     128.936     24.6055     308.936     
1 1 1 5  10 13 o 127.651 2.04772 30.3952      1.35826   29.3676      1.35147   93.4466     265.118     18.9238     85.1183     
1 1 1 5  10 14 o 115.225 2.19708 24.4342      1.31101   24.2985      1.31113   74.8696     277.146     29.1171     97.1462     
1 1 1 5  10 15 o 215.435 2.45246 87.4137      2.74737   82.8958      2.72911   157.507     332.617     74.9438     152.617     
1 1 1 5  10 16 o 246.076 2.42044 112.037      2.96996   110.146      3.19848   229.403     252.867     12.7202     252.867     
1 1 1 5  10 17 o 81.7665 2.13074 12.6899      0.899761  11.8778      0.902498  33.3693     247.765     29.0521     67.765      
1 1 1 5  10 18 f 95.443  2.24244 18.0346      1.11329   15.4777      1.09862   76.2552     33.8406     0           0           
1 1 1 5  10 19 o 70.2527 2.33571 8.35417      0.842672  9.83078      0.849929  19.2855     336.757     62.7193     156.757     
1 1 1 5  10 20 o 371.05  2.47288 255.426      4.75891   250.083      4.75327   366.041     261.131     47.4041     261.131     
1 1 1 5  10 21 o 187.443 2.14323 64.7315      2.08172   64.23        2.0831    150.413     115.042     40.5465     295.042     
1 1 1 5  10 22 o 176.707 2.28735 58.9741      2.09879   55.6969      2.09046   109.246     262.496     103.334     82.4957     
1 1 1 5  10 23 o 79.542  2.36004 11.2008      0.966065  12.0852      0.975001  74.3748     246.918     24.685      246.918     
1 1 1 5  10 24 o 292.049 2.31678 158.797      3.50925   154.492      3.5049    284.183     306.925     35.6886     306.925     
1 1 1 5  10 25 o 225.63  2.47801 93.6586      2.77064   93.4085      3.02004   216.099     23.4184     24.0173     23.4184     
1 1 1 5  10 26 o 126.177 2.52013 28.8923      1.64182   29.6693      1.65136   135.163     103.029     51.3483     103.029     
1 1 1 5  10 27 o 129.266 2.26583 29.8905      1.56683   31.5276      1.46276   104.425     308.549     19.4401     128.549     
1 1 1 5  10 28 o 226.99  2.24693 95.0395      2.64201   94.2575      2.64553   249.408     353.074     92.148      353.074     
1 1 1 5  10 29 o 58.0848 2.43723 5.92589      0.731527  6.52751      0.727956  40.6239     323.363     9.12106     143.363     
1 1 1 5  10 30 o 143.342 2.20973 37.9327      1.6399    37.5823      1.64382   127.173     291.064     1.71146     291.064     
1 1 1 5  10 31 o 85.3267 2.30241 12.3741      1.00569   14.4778      1.02382   73.6995     183.424     4.34721     183.424     
1 1 1 5  10 32 o 153.811 2.31815 43.6144      1.91259   43.4308      1.78183   148.378     343.714     27.9011     343.714     
1 1 1 5  10 33 o 98.4458 2.4761  18.7104      1.26131   17.0562      1.25977   89.086      14.4038     11.0551     14.4038     
1 1 1 5  10 34 o 74.8036 2.38443 9.46826      0.909563  11.2357      0.931333  60.3641     98.8421     4.3602      278.842     
1 1 1 5  10 35 o 46.016  2.86662 4.5245       0.671736  3.41134      0.670204  37.1634     168.249     3.44207     168.249     
1 1 1 5  10 36 o 53.8675 2.81119 5.57769      0.804797  5.238        0.754251  54.5439     138.948     23.2483     138.948     
1 1 1 5  10 37 o 70.1599 2.59343 8.75686      0.937595  9.54757      0.940951  57.5048     277.127     3.32475     97.1269     
1 1 1 5  10 38 o 55.3731 2.57556 5.28529      0.728075  6.16535      0.739552  58.9248     70.3041     30.1282     70.3041     
1 1 1 5  10 39 o 70.4473 2.43734 9.04659      0.882643  9.44021      0.891906  70.7809     323.475     24.1828     323.475     
1 1 1 5  10 40 o 43.7914 2.82906 3.99805      0.635835  3.26145      0.629137  47.3528     278.44      28.9406     278.44      
1 1 1 5  10 41 f 33.4806 3.62861 1.72795      0.593473  2.68974      0.605379  29.8785     326.202     0           0           
1 1 1 5  10 42 o 39.7931 3.44145 3.53972      0.655937  2.62386      0.706741  15.3409     276.619     34.6945     96.6193     
1 1 1 5  10 43 o 78.338  2.66689 11.5463      1.07649   11.6206      1.08304   65.2508     342.023     0.591115    162.023     
1 1 1 5  10 44 o 28.5955 3.8406  2.22674      0.554262  1.1219       0.534952  20.2462     279.906     3.71402     99.9058     
1 1 1 5  10 45 o 21.4708 4.02783 0.395249     0.491777  1.47494      0.506537  6.81212     152.29      18.6205     332.29      
1 1 1 5  10 46 o 16.6076 4.0976  0.868371     0.47991   -0.0328015   0.496914  2.34073     264.797     0.4021      264.797     
1 1 1 5  10 47 o 27.9459 4.3018  1.55821      0.619538  1.72378      0.591597  16.0141     49.9481     10.8345     229.948     
1 1 1 5  10 48 o 68.0979 2.9811  8.54076      1.06621   9.53652      1.02159   58.5197     357.439     6.75543     357.439     
1 1 1 5  10 49 o 16.5048 4.3377  0.640508     0.514526  0.367774     0.483445  8.10735     250.295     2.48997     70.2955     
1 1 1 5  10 50 o 11.7141 3.60593 -0.605689    0.430398  0.322991     0.462777  0.91557     253.312     15.9015     253.312     
1 1 1 5  10 51 o 16.2469 4.40179 0.473354     0.533613  0.540869     0.505615  8.51641     148.785     2.66781     328.785     
1 1 1 5  10 52 o 13.2763 4.06071 -0.570562    0.536894  0.509608     0.573576  4.21372     244.479     3.93966     64.4787     
1 1 1 5  10 53 o 20.4781 4.55658 0.399981     0.612981  1.54978      0.599058  8.6935      246.641     5.32345     246.641     
1 1 1 5  10 54 o 12.0832 3.86605 -0.264314    0.532888  0.126754     0.520264  1.55724     344.885     6.91849     164.885     
1 1 1 5  10 55 o 19.9415 4.4872  1.57848      0.593625  0.362363     0.594468  12.2793     33.0373     1.36344     213.037     
1 1 1 5  10 56 o 10.4265 3.4998  -0.258275    0.505948  -0.43657     0.518235  0.011265    122.857     2.21628     122.857     
1 1 1 5  10 57 o 25.8527 3.88518 3.34019      0.680185  0.00143925   0.669298  21.0212     83.9181     10.5499     83.9181     
1 1 1 5  10 58 o 14.898  4.70066 0.433323     0.844591  0.344199     0.634555  4.1823      197.866     3.89627     17.8661     
1 1 1 5  10 59 o 9.80171 3.37696 -0.552808    0.553056  -0.632044    0.554855  0.131133    81.3975     2.77093     81.3975     
1 1 1 5  10 60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  11 0  f 359.437 2.36344 236.891      4.40266   236.891      4.40266   339.779     90          0           0           
1 1 1 5  11 1  o 678.722 3.56521 840.323      12.5391   850.036      12.547    713.41      258.839     145.229     258.839     
1 1 1 5  11 2  o 143.314 2.09144 37.8107      1.61153   37.5009      1.49409   113.985     105.373     11.1214     285.373     
1 1 1 5  11 3  o 131.075 2.08495 30.8915      1.46741   32.112       1.36135   85.941      89.9646     45.4477     269.965     
1 1 1 5  11 4  o 229.108 2.47038 92.4799      2.92372   100.098      2.94115   211.825     244.114     8.23253     244.114     
1 1 1 5  11 5  o 295.731 2.72899 161.308      3.99261   159.479      4.36374   364.068     5.75994     189.727     5.75994     
1 1 1 5  11 6  o 377.714 3.08314 254.424      6.01962   269.092      6.05073   383.424     0.0378436   63.3062     0.0378436   
1 1 1 5  11 7  o 552.051 3.72133 546.513      10.621    572.282      10.6739   528.371     125.957     19.4634     125.957     
1 1 1 5  11 8  o 233.101 2.71977 97.7542      3.27443   101.587      3.29767   198.443     40.0871     27.1527     220.087     
1 1 1 5  11 9  o 272.992 2.2591  134.373      3.30591   138.97       3.0792    246.557     209.862     7.88579     29.8619     
1 1 1 5  11 10 o 496.592 2.93566 452.911      7.55468   451.979      7.55889   531.519     210.899     135.632     210.899     
1 1 1 5  11 11 o 477.341 2.80137 418.922      6.68209   417.156      7.17128   499.925     41.6275     110.007     41.6275     
1 1 1 5  11 12 f 102.072 2.06114 18.8134      1.08801   19.4331      1.09068   127.084     195.261     0           0           
1 1 1 5  11 13 o 219.022 2.25284 87.8875      2.5578    88.0895      2.5576    207.654     176.926     23.1849     176.926     
1 1 1 5  11 14 o 257.108 2.42037 119.492      3.34457   123.077      3.098     222.738     45.5257     23.0543     225.526     
1 1 1 5  11 15 o 70.3194 2.45863 8.63988      0.89146   9.5627       0.893671  14.63       259.014     23.9844     79.014      
1 1 1 5  11 16 f 222.613 2.22022 90.5211      2.47518   91.3241      2.64665   159.626     7.88548     0           0           
1 1 1 5  11 17 o 182.077 2.23596 61.4316      2.11227   60.2373      2.10828   172.875     346.822     20.7134     346.822     
1 1 1 5  11 18 o 9.13783 2.87158 -0.218029    0.279856  -0.0251266   0.272796  24.7011     222.396     50.4965     222.396     
1 1 1 5  11 19 o 174.041 2.12026 56.3688      1.91434   54.8091      1.91105   188.714     308.136     65.2851     308.136     
1 1 1 5  11 20 o 87.4578 2.16499 13.7501      0.976399  14.3651      0.983338  92.6505     5.95486     56.4368     5.95486     
1 1 1 5  11 21 o 297.367 2.3115  161.672      3.56134   163.045      3.56465   262.378     174.732     19.9859     354.732     
1 1 1 5  11 22 f 63.4511 2.43426 7.33132      0.79784   7.5018       0.79735   57.7573     228.446     0           0           
1 1 1 5  11 23 o 98.6284 2.16336 17.7863      1.10205   17.9691      1.10731   109.249     237.236     58.5337     237.236     
1 1 1 5  11 24 o 63.4145 2.36174 6.73649      0.739161  8.11         0.807847  19.6394     278.274     64.3155     98.2736     
1 1 1 5  11 25 o 141.315 2.3023  36.9919      1.68275   36.3736      1.69005   132.516     221.171     15.336      221.171     
1 1 1 5  11 26 o 158.693 2.42528 46.0408      2.06683   46.5093      1.91972   177.599     358.892     75.0831     358.892     
1 1 1 5  11 27 o 87.1669 2.3354  13.6217      1.08348   14.3436      1.01993   75.1637     150.936     3.0464      150.936     
1 1 1 5  11 28 o 73.9831 2.30605 10.3786      0.881563  9.78094      0.882199  50.6257     320.582     23.0783     140.582     
1 1 1 5  11 29 o 66.6507 2.37335 8.17809      0.819799  8.19714      0.814849  58.3802     268.368     12.413      268.368     
1 1 1 5  11 30 o 46.6316 2.65757 3.85712      0.637404  4.20287      0.635392  12.072      240.864     46.9485     60.8644     
1 1 1 5  11 31 o 150.55  2.2189  43.3463      1.73927   40.0567      1.72253   144.511     251.04      26.4534     251.04      
1 1 1 5  11 32 o 76.3891 2.35314 10.113       0.923654  11.4349      0.933269  62.7377     325.837     0.521784    145.837     
1 1 1 5  11 33 o 74.8709 2.57872 10.4164      0.992932  10.3143      1.00256   71.4149     245.823     19.4853     245.823     
1 1 1 5  11 34 o 86.0514 2.57839 13.5002      1.09065   13.9073      1.20298   75.4738     214.876     3.98924     214.876     
1 1 1 5  11 35 o 29.4792 3.655   2.12818      0.532246  1.25675      0.52916   15.9343     134.243     4.35571     314.243     
1 1 1 5  11 36 o 51.5468 2.79866 4.7468       0.743098  5.18054      0.739659  38.3167     192.142     7.77229     12.1422     
1 1 1 5  11 37 o 36.0915 3.14446 2.18474      0.551598  2.76818      0.597852  16.4052     72.0312     23.6384     252.031     
1 1 1 5  11 38 o 43.8115 2.79566 3.75246      0.627951  3.46653      0.627332  29.6758     31.3089     11.1984     211.309     
1 1 1 5  11 39 o 54.2366 2.60823 5.61748      0.730424  5.41322      0.727254  39.9929     34.8338     9.81329     214.834     
1 1 1 5  11 40 o 31.499  3.43136 1.77497      0.542722  2.07956      0.538722  18.4109     270.35      12.3767     90.3504     
1 1 1 5  11 41 o 49.8895 3.10789 5.19937      0.796598  4.32633      0.78903   44.4168     284.117     7.11586     284.117     
1 1 1 5  11 42 o 12.1818 3.74991 0.101321     0.44359   -0.237786    0.458813  0.00868046  317.975     9.43464     317.974     
1 1 1 5  11 43 o 65.8215 2.57631 9.31189      0.889549  7.12788      0.853557  70.5017     234.349     32.5663     234.349     
1 1 1 5  11 44 o 25.3177 3.9876  0.824581     0.513242  1.8385       0.530969  14.5477     222.525     9.38578     42.5252     
1 1 1 5  11 45 o 41.327  3.08105 3.04344      0.641631  3.60918      0.655188  39.2986     116.466     13.0749     116.466     
1 1 1 5  11 46 o 56.0684 2.85749 5.41889      0.78212   6.75291      0.867212  56.2278     245.115     22.158      245.115     
1 1 1 5  11 47 o 40.2976 3.68996 3.35595      0.728894  3.19998      0.77331   26.7748     222.14      10.4812     42.1405     
1 1 1 5  11 48 o 23.0786 4.16216 0.330021     0.565298  1.93951      0.584274  18.9223     73.064      10.3422     73.064      
1 1 1 5  11 49 o 24.6661 4.20538 0.864431     0.544715  1.81835      0.555574  14.7037     195.13      7.45441     15.1302     
1 1 1 5  11 50 o 14.7175 4.07907 0.64499      0.493932  -0.0455028   0.471692  4.53173     190.983     9.74183     10.9825     
1 1 1 5  11 51 o 27.3814 4.27525 1.82539      0.594521  1.56337      0.587606  23.446      175.917     6.80656     175.917     
1 1 1 5  11 52 o 48.3342 3.61394 5.36249      0.86662   4.63274      0.905289  47.404      66.6219     20.3133     66.6219     
1 1 1 5  11 53 o 11.1467 3.67923 -0.770406    0.525213  0.0595687    0.55133   0.618662    98.3041     3.9923      278.304     
1 1 1 5  11 54 o 10.675  3.54168 -0.018087    0.469609  -0.846625    0.583176  0.363562    273.596     5.76319     93.5957     
1 1 1 5  11 55 o 13.4312 4.13625 -0.295649    0.596178  0.508052     0.552336  3.18651     280.166     5.70231     100.166     
1 1 1 5  11 56 o 14.2061 4.31012 0.184297     0.591864  0.459323     0.558744  1.96736     243.765     11.0899     63.7648     
1 1 1 5  11 57 o 10.2668 3.46494 -0.871415    0.525335  -0.0671463   0.527062  1.38542     133.954     9.13109     133.954     
1 1 1 5  11 58 o 12.6224 4.13197 0.0574558    0.649549  -0.0541347   0.629825  1.47878     113.388     8.47471     293.388     
1 1 1 5  11 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  12 0  o 447.608 2.59391 367.399      6.01753   367.399      6.01753   637.933     270         431.191     270         
1 1 1 5  12 1  o 231.721 2.26397 97.8755      2.71828   99.0533      2.72039   207.187     238.85      5.40396     58.8505     
1 1 1 5  12 2  o 105.837 2.10411 19.9506      1.19363   21.1695      1.1078    55.491      88.1749     48.6519     268.175     
1 1 1 5  12 3  o 329.012 2.81442 202.38       4.58217   194.804      4.99925   367.859     65.4592     130.673     65.4592     
1 1 1 5  12 4  o 241.091 2.70547 108.622      3.38086   104.638      3.3804    241.428     174.091     47.3585     174.091     
1 1 1 5  12 5  o 239.451 2.89058 104.88       3.78862   105.507      3.37374   202.221     359.036     31.0381     179.036     
1 1 1 5  12 6  o 128.925 2.62387 31.2483      1.74632   29.7908      1.75604   95.3798     192.14      17.3236     12.1401     
1 1 1 5  12 7  o 229.172 2.59903 95.62        3.21142   97.0688      2.95618   247.265     16.5736     85.9387     16.5736     
1 1 1 5  12 8  o 286.502 2.60428 147.163      3.85889   154.046      3.87524   340.582     250.502     162.819     250.502     
1 1 1 5  12 9  o 195.833 2.44603 69.2144      2.48062   71.4963      2.48496   201.499     2.39921     60.9494     2.39921     
1 1 1 5  12 10 o 250.065 2.53295 114.764      3.28148   114.69       3.28512   245.678     70.4891     39.4151     70.4891     
1 1 1 5  12 11 o 221.796 2.17909 92.5245      2.60415   87.9719      2.40632   224.113     115.711     52.0128     115.711     
1 1 1 5  12 12 o 106.563 2.36744 21.7907      1.31041   19.9396      1.30026   66.0165     199.648     35.0789     19.6484     
1 1 1 5  12 13 o 187.797 2.2179  63.1611      2.15442   66.2631      2.16292   154.979     232.721     25.763      52.7207     
1 1 1 5  12 14 o 330.535 2.66959 200.325      4.57833   200.802      4.56958   309.997     134.969     11.9596     134.969     
1 1 1 5  12 15 o 284.514 2.49545 148.212      3.54055   148.97       3.81558   293.369     14.7542     66.3703     14.7542     
1 1 1 5  12 16 o 159.055 2.20704 45.2241      1.81379   47.645       1.82486   135.12      202.385     14.0382     22.3846     
1 1 1 5  12 17 o 150.453 2.2059  41.3335      1.71981   41.756       1.72086   171.732     304.175     78.2402     304.175     
1 1 1 5  12 18 o 24.3747 3.25068 0.674201     0.386321  1.66209      0.396824  49.1055     2.21863     127.013     2.21863     
1 1 1 5  12 19 o 97.9403 2.12925 17.0796      1.07315   18.1759      1.08581   87.2109     165.966     7.20525     165.966     
1 1 1 5  12 20 o 161.082 2.12168 46.7958      1.76512   48.4747      1.77779   146.091     6.08537     3.2171      6.08537     
1 1 1 5  12 21 o 150.894 2.27076 41.6102      1.77528   42.0139      1.77695   141.035     71.5082     13.3279     71.5083     
1 1 1 5  12 22 o 201.437 2.31654 76.1687      2.4226    72.9023      2.4144    193.401     182.203     24.4003     182.203     
1 1 1 5  12 23 o 82.1882 2.18642 12.5978      0.9278    12.2475      0.931634  56.2326     334.756     25.4709     154.756     
1 1 1 5  12 24 o 124.947 2.29045 28.282       1.47871   29.1135      1.48558   87.1029     117.544     46.3599     297.544     
1 1 1 5  12 25 o 154.488 2.29767 44.0008      1.83772   43.689       1.84221   146.514     30.7813     19.3547     30.7814     
1 1 1 5  12 26 o 191.845 2.35738 66.9525      2.32877   68.3147      2.35984   211.314     92.2492     81.6955     92.2492     
1 1 1 5  12 27 o 71.2942 2.52244 9.8221       0.932951  8.92745      0.924258  58.8596     325.197     1.35029     325.197     
1 1 1 5  12 28 o 32.1096 3.31291 1.87597      0.556695  2.00645      0.510118  2.25063     12.4098     24.2448     192.41      
1 1 1 5  12 29 o 108.658 2.22701 22.6608      1.25628   20.8069      1.24832   91.0691     358.343     4.84153     178.343     
1 1 1 5  12 30 o 223.667 2.26564 93.7768      2.62839   90.3063      2.62453   245.479     289.53      97.701      289.53      
1 1 1 5  12 31 f 37.2379 2.98332 2.58711      0.563537  2.59846      0.567909  40.7206     38.1169     0           0           
1 1 1 5  12 32 o 42.0694 2.81965 2.83875      0.59816   3.79306      0.606861  18.5846     88.9202     26.8368     268.92      
1 1 1 5  12 33 o 78.3952 2.52446 11.5551      1.03265   11.1954      1.0137    70.9927     47.585      9.07082     47.585      
1 1 1 5  12 34 o 66.26   2.82801 9.02142      0.964225  7.3566       0.961474  52.8074     100.935     5.86209     280.935     
1 1 1 5  12 35 o 49.5461 2.63051 4.76699      0.671312  4.38943      0.66912   26.1761     33.7709     29.4457     213.771     
1 1 1 5  12 36 o 130.001 2.42894 31.4217      1.63673   31.2864      1.634     114.876     80.7641     6.60286     80.7641     
1 1 1 5  12 37 o 59.2106 2.51566 6.54727      0.76873   6.53436      0.768376  56.6818     62.5595     16.2849     62.5595     
1 1 1 5  12 38 o 24.0669 3.80927 1.39104      0.465536  0.90792      0.466872  8.832       128.645     15.7713     308.645     
1 1 1 5  12 39 o 75.2544 2.43307 10.5473      0.951044  10.6385      0.942079  67.8717     227.071     9.53124     227.071     
1 1 1 5  12 40 o 37.7609 3.38007 3.73453      0.629178  1.92073      0.606615  17.7183     6.81626     26.0191     186.816     
1 1 1 5  12 41 o 27.2123 4.17898 1.52702      0.574987  1.46333      0.570186  19.3422     300.411     2.5212      120.411     
1 1 1 5  12 42 o 26.7786 4.21928 1.63367      0.562383  1.28729      0.581248  21.2237     326.548     2.72999     326.548     
1 1 1 5  12 43 o 28.7479 3.7532  1.6807       0.542601  1.633        0.534797  20.8856     155.129     2.39905     335.129     
1 1 1 5  12 44 o 52.1983 2.76127 4.69895      0.731886  5.76955      0.74623   48.4786     323.778     12.4693     323.778     
1 1 1 5  12 45 o 23.6328 4.06297 1.40925      0.50569   0.924741     0.489822  17.5413     200.031     1.99988     200.031     
1 1 1 5  12 46 o 17.949  3.94808 1.12735      0.479842  0.0341631    0.465238  4.35046     217.012     1.67555     217.012     
1 1 1 5  12 47 o 39.154  3.79126 3.17275      0.725577  3.10387      0.770934  29.463      207.081     2.6784      27.0812     
1 1 1 5  12 48 o 45.3906 3.50446 4.64013      0.858264  3.76257      0.764312  42.795      265.349     14.2443     265.349     
1 1 1 5  12 49 o 20.1898 4.1939  1.4081       0.532462  0.350911     0.503407  15.3261     144.441     5.83923     144.441     
1 1 1 5  12 50 o 15.8191 4.22787 0.835181     0.515387  -0.0671143   0.539431  8.10443     32.5913     3.01055     212.591     
1 1 1 5  12 51 o 24.1472 4.71847 1.3131       0.574222  1.49546      0.646508  16.5215     259.468     1.47078     79.4678     
1 1 1 5  12 52 o 16.7348 3.96921 1.52576      0.625218  -0.904216    0.491255  8.24597     35.0167     1.92235     215.017     
1 1 1 5  12 53 o 14.7857 4.36917 -0.288417    0.596297  0.784997     0.617154  4.72805     266.171     1.06256     86.1705     
1 1 1 5  12 54 o 12.9382 3.99332 -0.128946    0.509823  0.381547     0.525375  2.91466     316.803     5.61914     136.803     
1 1 1 5  12 55 o 14.5203 4.13475 0.891575     0.559831  -0.313759    0.518226  3.19339     277.216     9.03601     97.216      
1 1 1 5  12 56 o 22.3579 4.29313 0.299032     0.60336   2.27492      0.646076  14.3225     324.406     0.431121    324.406     
1 1 1 5  12 57 o 20.5081 5.155   1.36345      0.682147  1.18302      0.700858  11.9876     197.462     0.740184    17.4614     
1 1 1 5  12 58 o 11.2703 3.73098 0.262673     0.584645  -0.841271    0.543324  0.451625    136.076     8.71007     316.076     
1 1 1 5  12 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  13 0  o 107.573 2.03682 21.2603      1.13392   21.2603      1.13392   33.4267     270         131.654     90          
1 1 1 5  13 1  o 275.541 2.45753 137.714      3.37664   140.848      3.64114   266.816     227.333     31.9325     227.333     
1 1 1 5  13 2  o 273.813 2.43595 135.954      3.58961   139.124      3.31634   280.535     245.535     63.9613     245.535     
1 1 1 5  13 3  o 130.053 2.60282 30.8249      1.74505   31.2895      1.76076   90.8842     358.099     31.6971     178.099     
1 1 1 5  13 4  o 116.242 2.5989  24.3049      1.5592    25.3328      1.56845   62.5459     258.276     62.9232     78.2755     
1 1 1 5  13 5  o 99.6254 2.54041 17.1335      1.34874   19.3685      1.25992   21.8825     281.281     116.091     101.281     
1 1 1 5  13 6  o 169.595 2.41908 52.103       2.12312   53.4373      2.12998   106.302     307.484     87.584      127.484     
1 1 1 5  13 7  o 47.5329 2.78958 4.21961      0.67902   4.13113      0.683139  17.4236     13.9599     62.5807     13.9599     
1 1 1 5  13 8  o 242.083 2.52423 104.446      3.15823   110.678      3.17536   243.601     103.173     50.2993     103.173     
1 1 1 5  13 9  o 218.539 2.49718 84.3045      2.8229    91.046       2.83197   221.11      267.381     50.564      267.381     
1 1 1 5  13 10 o 198.084 2.58735 71.0713      2.77134   72.9715      2.5331    135.073     170.558     87.7308     350.558     
1 1 1 5  13 11 o 377.086 3.14357 258.824      6.14373   263.627      6.14511   325.237     292.109     45.0094     112.109     
1 1 1 5  13 12 o 277.481 2.47668 142.027      3.71365   140.64       3.40578   250.063     292.254     7.7537      112.254     
1 1 1 5  13 13 f 197.428 2.43646 70.5708      2.4915    72.5361      2.49507   203.995     5.56442     0           0           
1 1 1 5  13 14 o 164.581 2.30214 50.3048      1.89681   49.1347      2.02728   167.407     255.189     40.8022     255.189     
1 1 1 5  13 15 o 95.0409 2.31974 16.806       1.09976   16.3976      1.17989   56.3795     98.4952     53.0282     278.495     
1 1 1 5  13 16 o 120.437 2.18091 25.6684      1.35465   27.6162      1.3662    103.424     46.2106     5.54955     226.211     
1 1 1 5  13 17 o 148.629 2.18209 41.0397      1.74495   40.0676      1.61623   114.856     328.073     36.9411     148.073     
1 1 1 5  13 18 o 151.946 2.09769 43.2057      1.65153   41.5642      1.65238   118.11      13.7909     36.091      193.791     
1 1 1 5  13 19 o 45.92   2.41372 3.66685      0.565873  4.12899      0.573799  1.03992     26.182      64.6088     206.182     
1 1 1 5  13 20 o 82.1204 2.1819  12.6056      0.925916  12.1968      0.92812   40.0235     70.6914     59.7934     250.691     
1 1 1 5  13 21 o 63.7676 2.44801 7.28358      0.803578  7.70497      0.808332  33.3269     254.258     34.5582     74.2585     
1 1 1 5  13 22 o 239.291 2.29594 106.385      2.94449   103.981      2.7498    231.369     60.4118     32.4967     60.4118     
1 1 1 5  13 23 o 92.5926 2.19875 16.2283      1.05368   15.3063      1.05328   51.116      312.336     58.0441     132.336     
1 1 1 5  13 24 o 67.1377 2.43965 8.57061      0.848777  8.04464      0.843106  57.5165     357.843     10.3626     357.843     
1 1 1 5  13 25 o 104.05  2.32708 19.5747      1.25013   20.2584      1.25676   70.5173     147.521     40.2946     327.521     
1 1 1 5  13 26 o 136.694 2.18116 34.7574      1.54482   33.9134      1.54598   139.438     23.1072     40.3841     23.1072     
1 1 1 5  13 27 o 117.309 2.38303 26.6524      1.45356   24.0347      1.43934   141.678     106.335     85.8833     106.335     
1 1 1 5  13 28 o 149.004 2.38024 41.5511      1.83561   40.1497      1.84078   132.466     344.144     4.87225     344.144     
1 1 1 5  13 29 o 83.6086 2.29176 13.1144      0.987079  12.6536      0.995209  68.0966     288.348     2.99238     108.348     
1 1 1 5  13 30 o 41.04   2.8231  2.82715      0.585101  3.46487      0.596592  16.2864     77.7338     4.56297     77.7338     
1 1 1 5  13 31 o 161.892 2.23248 48.1194      1.86994   48.4615      1.87696   160.612     244.217     39.4321     244.217     
1 1 1 5  13 32 o 59.6863 2.48713 6.05345      0.754363  7.17657      0.775054  37.4052     243.415     25.5939     63.4151     
1 1 1 5  13 33 o 43.7348 2.85706 3.08773      0.62754   4.10246      0.644252  27.0037     271.779     16.2635     91.7785     
1 1 1 5  13 34 o 60.691  2.69107 7.32173      0.844226  6.41581      0.837877  48.8904     275.182     2.95435     95.1818     
1 1 1 5  13 35 o 34.843  3.58865 2.81765      0.586487  1.87877      0.637133  22.9589     354.352     5.34253     174.352     
1 1 1 5  13 36 o 123.092 2.36713 27.9426      1.45894   28.3622      1.55796   106.149     218.141     2.22767     218.141     
1 1 1 5  13 37 o 48.0195 2.67557 3.87613      0.646255  4.81761      0.670978  36.1923     197.509     6.00041     17.5091     
1 1 1 5  13 38 o 21.42   3.99756 0.946732     0.447743  0.883011     0.453204  8.70498     192.286     10.9851     12.2864     
1 1 1 5  13 39 o 60.4953 2.66594 6.48429      0.829327  7.33419      0.83186   54.0946     58.3777     7.98736     58.3777     
1 1 1 5  13 40 o 13.9421 3.71788 -0.317719    0.415742  0.602899     0.428434  1.10527     352.568     13.344      172.568     
1 1 1 5  13 41 o 12.6793 3.8583  0.0855188    0.466655  -0.070651    0.452946  1.20131     325.997     6.6624      145.997     
1 1 1 5  13 42 o 28.4367 3.93548 1.9946       0.558778  1.30074      0.556932  27.3686     235.129     15.5807     235.129     
1 1 1 5  13 43 o 27.787  3.85261 2.20161      0.541081  1.01465      0.527065  20.087      231.497     1.9214      51.4967     
1 1 1 5  13 44 o 59.5535 2.69171 6.96587      0.827384  6.62659      0.825387  52.694      331.552     8.86248     331.552     
1 1 1 5  13 45 o 30.2648 3.71104 2.05866      0.561041  1.67584      0.558086  24.1469     79.5524     2.45877     79.5524     
1 1 1 5  13 46 o 14.6805 3.84868 0.732655     0.457095  -0.267962    0.444865  0.598638    326.31      18.3777     146.31      
1 1 1 5  13 47 o 27.9534 4.74398 1.57195      0.564902  1.92607      0.794346  21.7573     182.887     1.95931     182.887     
1 1 1 5  13 48 o 11.5275 3.77837 -0.323859    0.537762  -0.26086     0.537561  1.26558     232.682     2.11207     52.6824     
1 1 1 5  13 49 o 16.0237 4.13229 0.870146     0.493928  0.00711366   0.494991  7.77268     174.741     2.33916     174.741     
1 1 1 5  13 50 o 33.3944 3.95416 2.24695      0.677529  2.64581      0.634367  29.1221     221.814     8.10197     221.814     
1 1 1 5  13 51 o 14.9336 4.31108 0.29058      0.531192  0.478442     0.529254  4.90419     11.3977     1.26261     191.398     
1 1 1 5  13 52 o 13.9206 4.16794 0.536717     0.55056   -0.0808934   0.525124  3.89188     163.707     2.62911     343.707     
1 1 1 5  13 53 o 12.3237 3.89533 0.340023     0.531121  -0.469356    0.542571  0.00106098  291.515     14.0675     111.504     
1 1 1 5  13 54 o 11.2925 3.67939 0.0731676    0.514797  -0.352945    0.492437  0.359439    320.776     2.61645     140.776     
1 1 1 5  13 55 o 43.2019 3.54181 4.19634      0.783397  4.18215      0.773509  43.6985     322.862     25.1058     322.862     
1 1 1 5  13 56 o 18.3128 4.85689 0.922775     0.62848   0.9603       0.618975  8.87883     231.246     2.78797     51.2457     
1 1 1 5  13 57 o 16.5142 4.51286 1.21492      0.617588  0.0848967    0.596876  1.30056     160.608     0.427319    160.608     
1 1 1 5  13 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  14 0  o 10.123  3.7236  0.273587     0.254013  0.273587     0.254013  39.8119     90          81.0604     90          
1 1 1 5  14 1  o 154.342 2.56753 41.4983      2.04509   45.9991      2.05983   179.37      290.021     128.429     290.021     
1 1 1 5  14 2  o 168.578 2.48098 51.8268      2.27317   52.4797      2.05588   157.65      128.831     20.2794     128.831     
1 1 1 5  14 3  o 224.719 2.76085 95.2714      3.52463   90.1781      2.89156   197.039     176.504     12.2632     356.504     
1 1 1 5  14 4  o 131.939 2.53459 31.2082      1.79949   32.7481      1.65697   51.651      165.951     128.653     345.951     
1 1 1 5  14 5  o 170.736 2.52352 54.062       2.33519   52.9497      2.12874   119.335     279.341     66.351      99.3408     
1 1 1 5  14 6  o 68.0274 2.68176 8.93129      0.987132  8.12292      0.897234  24.1635     164.919     14.0292     344.919     
1 1 1 5  14 7  o 209.529 2.59528 80.6129      2.94162   80.5802      2.69031   198.919     59.6065     20.1317     59.6065     
1 1 1 5  14 8  o 166.404 2.66181 49.1711      2.29041   52.5409      2.29998   169.64      250.746     45.582      250.746     
1 1 1 5  14 9  o 208.317 2.71359 79.4269      2.93052   79.9565      2.92987   194.062     66.7978     11.1597     66.7978     
1 1 1 5  14 10 o 365.742 3.10777 247.115      5.89828   244.546      5.88546   333.568     123.309     5.28257     303.309     
1 1 1 5  14 11 o 202.411 2.72264 73.4584      2.85389   77.0648      2.85824   218.176     314.018     70.3141     314.018     
1 1 1 5  14 12 f 151.421 2.69346 42.009       2.11491   42.2738      2.10991   133.39      84.7439     0           0           
1 1 1 5  14 13 o 63.3653 2.48126 7.1828       0.857702  7.61188      0.759238  23.858      235.489     54.9127     55.4889     
1 1 1 5  14 14 o 119.328 2.68833 25.6937      1.65753   26.6853      1.66359   127.642     150.302     49.4005     150.302     
1 1 1 5  14 15 o 92.7342 2.21774 15.9056      1.06428   15.7077      1.06474   88.8811     2.34736     24.0325     2.34736     
1 1 1 5  14 16 o 86.5912 2.12663 13.6309      0.95184   13.933       0.95429   85.1501     54.8003     32.0443     54.8003     
1 1 1 5  14 17 o 123.511 2.09741 28.3022      1.34153   27.7122      1.34399   116.822     51.3657     18.1989     51.3658     
1 1 1 5  14 18 o 127.38  2.11194 29.978       1.39576   29.6043      1.39318   132.205     242.637     43.4413     242.637     
1 1 1 5  14 19 o 138.73  2.12136 35.0996      1.52332   35.5778      1.52766   86.6779     180.161     73.0878     0.161037    
1 1 1 5  14 20 o 77.2779 2.27881 10.6823      0.879104  11.2983      0.942697  57.3171     257.254     12.6904     77.2537     
1 1 1 5  14 21 o 14.9237 3.67349 0.361277     0.348589  0.371454     0.348078  20.6787     118.752     47.341      118.752     
1 1 1 5  14 22 o 261.644 2.25734 125.581      3.06236   125.938      3.06069   283.596     237.18      99.1927     237.18      
1 1 1 5  14 23 o 159.609 2.2478  47.9591      1.80066   45.6646      1.91343   148.67      345.68      15.1946     345.68      
1 1 1 5  14 24 o 138.05  2.30125 36.2519      1.64302   33.8228      1.64881   106.695     269.866     29.271      89.8664     
1 1 1 5  14 25 o 62.9109 2.49993 7.11126      0.804042  7.49647      0.819778  47.6093     354.089     3.23397     174.089     
1 1 1 5  14 26 o 38.0779 2.79928 2.5917       0.544248  2.80868      0.543842  9.64326     196.951     25.483      16.9513     
1 1 1 5  14 27 o 105.697 2.214   20.7726      1.20857   20.3617      1.21465   91.977      54.3816     4.17193     54.3816     
1 1 1 5  14 28 o 29.6048 3.76356 0.807411     0.529304  2.75479      0.559279  2.71012     66.4239     38.6178     66.4238     
1 1 1 5  14 29 o 63.0216 2.51364 7.58483      0.84937   7.11355      0.786445  63.6807     140.001     31.0261     140.001     
1 1 1 5  14 30 o 102.195 2.25413 19.1559      1.18742   19.3891      1.19785   86.2867     186.24      3.15088     6.23988     
1 1 1 5  14 31 o 73.5584 2.34402 10.8172      0.894643  9.23561      0.88471   65.1147     212.039     6.05158     212.039     
1 1 1 5  14 32 o 87.4949 2.42513 14.1564      1.09425   14.2065      1.10126   76.1609     102.912     3.43054     102.912     
1 1 1 5  14 33 o 62.424  2.49484 7.35385      0.820567  7.13611      0.787436  60.3811     13.1308     18.3079     13.1308     
1 1 1 5  14 34 o 70.9593 2.49778 10.0619      0.95747   8.70477      0.874752  84.511      186.968     53.8525     186.968     
1 1 1 5  14 35 o 34.8551 3.67566 2.57604      0.631787  2.12278      0.648571  21.4377     306.45      10.7308     126.45      
1 1 1 5  14 36 o 74.7058 2.40062 11.0543      0.930211  9.79484      0.921979  67.0199     2.81045     8.94318     2.81045     
1 1 1 5  14 37 o 45.3811 2.746   4.22639      0.642865  3.57245      0.633473  28.6138     325.691     17.1649     145.691     
1 1 1 5  14 38 o 59.8573 2.53649 6.86196      0.778421  6.62295      0.787952  61.223      11.0657     23.9965     11.0657     
1 1 1 5  14 39 o 33.2208 3.41976 2.52281      0.571499  1.80526      0.559611  35.5415     227.907     22.9958     227.907     
1 1 1 5  14 40 o 39.2345 3.04463 3.56243      0.605004  2.41176      0.592887  26.3677     145.132     10.6953     325.132     
1 1 1 5  14 41 o 22.6808 4.0074  0.250781     0.524836  1.83145      0.556359  15.1537     300.312     1.83608     120.312     
1 1 1 5  14 42 o 26.3985 3.97837 1.1704       0.505402  1.70318      0.553455  23.1666     57.6476     9.45525     57.6476     
1 1 1 5  14 43 o 38.7654 3.31466 3.40346      0.624505  2.54496      0.658288  31.8237     228.85      2.52472     228.85      
1 1 1 5  14 44 o 26.2791 4.16449 1.77157      0.52977   1.13495      0.586513  23.079      337.57      10.1555     337.57      
1 1 1 5  14 45 o 28.1406 4.1019  0.931793     0.598914  2.50617      0.580383  14.1437     117.18      14.927      297.18      
1 1 1 5  14 46 o 14.1487 3.9794  -0.221753    0.484414  0.57361      0.472962  0.300649    85.9555     18.2433     265.956     
1 1 1 5  14 47 o 52.2385 3.06472 5.23937      0.795247  5.67072      0.849847  48.1579     196.738     13.9109     196.738     
1 1 1 5  14 48 o 17.2831 4.80268 0.577205     0.630099  0.603741     0.629148  7.27464     293.612     8.85469     113.612     
1 1 1 5  14 49 o 15.7148 4.22101 0.759299     0.509089  0.145917     0.486699  6.65207     14.124      1.1403      14.124      
1 1 1 5  14 50 o 16.1265 4.18128 1.04253      0.543516  -0.201488    0.526644  7.17978     51.5677     0.219126    231.568     
1 1 1 5  14 51 o 30.4768 4.37456 1.55135      0.676178  2.91872      0.662678  24.4058     78.4518     4.4947      78.4518     
1 1 1 5  14 52 o 12.3859 3.9419  -0.313366    0.541248  0.250085     0.546748  0.181446    205.539     14.6122     205.538     
1 1 1 5  14 53 o 25.938  4.70376 1.41349      0.662199  2.09081      0.636202  15.6675     14.1903     5.25413     194.19      
1 1 1 5  14 54 o 16.5043 4.71257 0.522059     0.640479  0.796167     0.617109  5.70806     29.4829     4.79723     209.483     
1 1 1 5  14 55 o 12.4536 4.00627 -0.23639     0.581265  0.234262     0.570692  0.961132    140.103     14.891      140.103     
1 1 1 5  14 56 o 14.3711 4.37403 0.588145     0.603298  0.198248     0.588421  3.23528     39.6281     9.15382     219.628     
1 1 1 5  14 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  15 0  o 99.5704 2.33527 18.2435      1.2023    18.2435      1.2023    118.57      90          78.9394     90          
1 1 1 5  15 1  o 157.405 2.47011 44.2981      2.09539   46.6888      1.92639   169.228     277.812     60.8402     277.812     
1 1 1 5  15 2  o 181.081 2.5387  59.3276      2.25664   61.0878      2.50596   154.941     41.3365     16.5945     221.337     
1 1 1 5  15 3  o 126.184 2.8249  28.776       1.95834   29.7821      1.71999   73.15       288.72      77.88       108.72      
1 1 1 5  15 4  o 182.34  2.66002 60.2198      2.51654   61.9031      2.51142   163.006     11.2595     3.08554     191.26      
1 1 1 5  15 5  o 17.3942 4.00523 0.38959      0.420119  0.667841     0.420647  51.0266     232.153     115.235     232.153     
1 1 1 5  15 6  o 118     2.65052 25.2618      1.61898   25.9368      1.61914   100.515     90.5612     6.5561      270.561     
1 1 1 5  15 7  o 140.495 2.66923 35.1512      1.93718   37.4292      1.94595   151.107     92.8206     54.3642     92.8206     
1 1 1 5  15 8  o 184.795 2.69747 62.6286      2.58878   62.8319      2.57901   176.062     305.797     18.6649     305.797     
1 1 1 5  15 9  o 186.951 2.70305 64.1689      2.62173   64.2486      2.61719   120.994     245.558     96.9345     65.5577     
1 1 1 5  15 10 o 67.4221 2.84473 7.93035      0.987827  8.84945      0.989224  13.0711     83.6085     86.9451     263.608     
1 1 1 5  15 11 o 190.208 2.71759 67.9146      2.6838    65.0604      2.67432   145.176     301.698     53.2465     121.698     
1 1 1 5  15 12 o 263.987 2.8556  129.651      3.89637   126.563      3.91812   255.044     350.496     31.3293     350.496     
1 1 1 5  15 13 o 115.817 3.00943 24.4996      1.80143   24.9026      1.80576   109.004     211.403     17.5116     211.403     
1 1 1 5  15 14 o 275.223 2.60076 138.549      3.73244   139.84       3.68789   244.372     261.724     9.48157     81.7244     
1 1 1 5  15 15 o 129.248 2.28155 30.8862      1.52673   30.4934      1.52913   157.108     160.531     95.1366     160.531     
1 1 1 5  15 16 f 80.7141 2.17885 12.6031      0.911135  11.3735      0.907087  108.261     290.476     0           0           
1 1 1 5  15 17 o 84.6219 2.17448 13.2532      0.950942  13.0818      0.953492  68.9326     253.451     2.80291     73.4514     
1 1 1 5  15 18 o 123.214 2.13253 27.4866      1.35807   28.2731      1.36588   115.917     255.857     17.3822     255.857     
1 1 1 5  15 19 o 169.737 2.14634 53.9299      1.89058   51.9004      1.88589   176.589     121.644     53.0442     121.644     
1 1 1 5  15 20 o 136.126 2.29019 34.1839      1.61713   33.9052      1.61488   132.983     117.55      27.6209     117.55      
1 1 1 5  15 21 o 32.7245 3.02311 1.87602      0.514253  2.13764      0.481465  1.61146     24.3256     32.5037     204.326     
1 1 1 5  15 22 o 61.8846 2.35621 6.14888      0.740751  8.0342       0.756886  30.8249     243.046     39.394      63.046      
1 1 1 5  15 23 o 160.439 2.24887 48.0826      1.81677   46.5508      1.92027   162.555     225.699     44.3608     225.699     
1 1 1 5  15 24 o 82.459  2.40895 13.7656      1.03384   11.3497      1.01538   89.8723     221.441     52.0807     221.441     
1 1 1 5  15 25 o 30.5002 3.22777 2.14342      0.501197  1.40488      0.476001  3.98734     147.653     38.8024     147.653     
1 1 1 5  15 26 o 46.4159 2.57712 3.67476      0.607926  4.32658      0.619787  11.7295     229.23      48.0328     49.2298     
1 1 1 5  15 27 o 88.6908 2.2545  14.6097      1.03239   14.3979      1.0371    80.6047     60.0606     12.0011     60.0606     
1 1 1 5  15 28 o 69.7157 2.44967 8.17239      0.833326  9.84235      0.932328  51.9287     139.483     12.8249     319.483     
1 1 1 5  15 29 o 15.1013 3.97822 0.400482     0.419676  0.250722     0.41814   7.88861     234.868     27.1132     234.868     
1 1 1 5  15 30 o 41.3449 2.7288  2.93972      0.574007  3.45822      0.579159  36.5949     92.6826     13.0805     92.6826     
1 1 1 5  15 31 o 116.143 2.38348 24.9297      1.43188   25.0316      1.43499   106.962     357.415     15.0552     357.415     
1 1 1 5  15 32 o 87.6511 2.3771  15.3432      1.1125    13.2059      1.04306   85.3507     284.715     22.9923     284.715     
1 1 1 5  15 33 o 12.011  3.52094 0.0884153    0.36081   0.0723986    0.357477  12.6585     263.304     35.5599     263.304     
1 1 1 5  15 34 o 46.4444 2.85925 4.51596      0.693137  3.6382       0.665867  39.5854     154.915     4.75564     154.915     
1 1 1 5  15 35 o 42.1465 3.3261  3.74174      0.726929  3.07187      0.697944  43.6236     340.112     22.6426     340.112     
1 1 1 5  15 36 o 40.7951 3.18154 3.1384       0.657552  3.2374       0.665663  36.8724     290.985     9.08128     290.985     
1 1 1 5  15 37 o 29.8544 3.61601 2.01435      0.569338  1.50862      0.509234  24.4164     58.7296     3.89308     58.7296     
1 1 1 5  15 38 o 21.6835 4.32197 0.81836      0.540578  1.07367      0.483729  12.0363     83.2879     7.01088     263.288     
1 1 1 5  15 39 o 12.3313 3.62965 -0.566584    0.407218  0.405486     0.453521  0.886385    126.477     4.35319     306.477     
1 1 1 5  15 40 o 37.6721 3.71393 2.66955      0.695955  2.96395      0.714298  28.2712     123.665     3.36559     303.665     
1 1 1 5  15 41 f 30.2792 4.28153 1.80254      0.705346  1.98149      0.587     23.065      212.47      0           0           
1 1 1 5  15 42 o 73.9007 2.92231 9.59049      1.1519    11.5113      1.0574    66.0353     12.599      11.9104     12.599      
1 1 1 5  15 43 o 25.2232 3.73188 0.19964      0.557011  2.4922       0.539403  15.3093     134.052     6.92474     314.052     
1 1 1 5  15 44 o 16.7952 4.27127 0.600516     0.473927  0.475039     0.477008  8.06015     313.291     3.16167     133.291     
1 1 1 5  15 45 o 17.9756 4.35956 0.55697      0.480323  0.77923      0.50434   10.5325     292.93      2.87414     292.93      
1 1 1 5  15 46 o 42.3001 3.23052 4.03653      0.701622  3.21708      0.685219  37.7452     309.615     9.57687     309.615     
1 1 1 5  15 47 o 12.221  3.83233 0.109428     0.471774  -0.179184    0.506465  0.837809    320.406     13.0558     140.406     
1 1 1 5  15 48 o 11.9328 3.86802 -0.144128    0.513943  -0.189417    0.56898   1.26082     296.298     1.42257     116.298     
1 1 1 5  15 49 o 11.9431 3.80361 0.0951163    0.524317  -0.197082    0.468515  1.481       207.562     6.04225     27.5617     
1 1 1 5  15 50 o 10.0012 3.36045 -0.516296    0.467545  -0.277885    0.480612  0.651354    91.5442     7.51349     91.5442     
1 1 1 5  15 51 o 13.5145 4.09161 -0.350051    0.541027  0.585736     0.556029  3.71864     131.154     4.8809      311.154     
1 1 1 5  15 52 o 13.6451 4.12033 0.276168     0.517037  0.277075     0.51388   3.19988     260.524     4.31542     80.5237     
1 1 1 5  15 53 o 19.9801 4.04153 1.94416      0.602686  -0.0956401   0.540928  11.615      61.6142     2.54975     61.6142     
1 1 1 5  15 54 o 30.8376 4.98676 2.25443      0.807204  2.88173      0.762292  27.8195     246.604     15.0054     246.604     
1 1 1 5  15 55 f 11.7665 3.80192 0.400023     0.554723  -0.848088    0.568941  1.6519      323.591     0           0           
1 1 1 5  15 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  16 0  o 298.963 2.25155 164.002      3.48834   164.002      3.48834   286.421     270         24.7535     270         
1 1 1 5  16 1  o 221.278 2.29516 87.6656      2.62635   92.1599      2.63784   201.422     97.9236     2.32626     97.9236     
1 1 1 5  16 2  o 92.2722 2.50038 15.7501      1.08105   15.5713      1.2952    92.6083     317.666     34.8749     317.666     
1 1 1 5  16 3  o 39.2047 2.95632 2.43239      0.560588  3.31702      0.618173  3.98097     24.9942     16.0632     204.994     
1 1 1 5  16 4  o 82.7166 2.60729 12.9252      1.06965   12.2677      1.15593   70.5758     324.013     6.52996     324.013     
1 1 1 5  16 5  o 137.554 2.6477  35.6711      1.89085   33.9183      1.8807    129.413     250.653     16.1132     250.653     
1 1 1 5  16 6  o 72.5583 2.77107 9.48447      1.03617   9.92519      1.04023   42.1038     261.111     34.574      81.1112     
1 1 1 5  16 7  o 104.397 2.70007 19.6647      1.45861   20.4483      1.45833   74.8909     16.2595     31.3437     196.259     
1 1 1 5  16 8  o 103.032 2.60255 19.7708      1.32053   19.2897      1.45001   99.623      340.286     25.0004     340.286     
1 1 1 5  16 9  o 93.2755 2.60251 15.5259      1.19314   16.5049      1.31836   60.1635     8.03545     39.5524     188.035     
1 1 1 5  16 10 o 199.565 2.6183  73.7256      2.58332   72.6504      2.82634   188.23      140.751     18.8212     140.751     
1 1 1 5  16 11 o 227.404 2.76703 92.2002      3.24735   97.9747      3.27453   201.212     118.232     6.46247     298.232     
1 1 1 5  16 12 o 168.14  2.89297 48.0418      2.63015   56.1307      2.37115   150.682     137.567     2.46589     137.567     
1 1 1 5  16 13 o 61.1281 3.1964  6.49979      0.953876  7.34202      1.0583    19.1512     254.312     60.3622     74.3124     
1 1 1 5  16 14 o 104.954 2.52839 20.8523      1.37271   19.6884      1.37346   91.4814     211.724     2.97604     211.724     
1 1 1 5  16 15 o 95.7703 2.47451 16.8939      1.15408   16.8592      1.29436   73.0702     285.578     17.6785     105.578     
1 1 1 5  16 16 o 57.1271 2.54654 5.07429      0.731402  7.05108      0.757044  37.9281     203.882     8.7255      23.8819     
1 1 1 5  16 17 o 40.2973 2.50224 2.95827      0.520355  3.05715      0.514142  12.9817     171.745     6.92512     351.745     
1 1 1 5  16 18 o 25.8607 3.19605 1.08065      0.414219  1.46663      0.40619   11.7977     216.221     49.0441     216.221     
1 1 1 5  16 19 o 68.8347 2.33954 8.75902      0.806896  8.69757      0.856787  49.3655     85.6868     13.7122     265.687     
1 1 1 5  16 20 o 131.855 2.27848 33.5438      1.56596   30.4244      1.54544   138.887     21.5426     49.7654     21.5426     
1 1 1 5  16 21 o 128.339 2.15594 31.4008      1.43655   29.1585      1.43069   126.742     18.4584     31.9822     18.4584     
1 1 1 5  16 22 o 119.024 2.23873 26.3369      1.33447   25.7986      1.42305   99.3344     10.8887     6.31379     190.889     
1 1 1 5  16 23 f 19.8335 3.84566 0.587088     0.418043  0.90935      0.407809  41.9745     292.765     0           0           
1 1 1 5  16 24 o 101.295 2.43149 19.8059      1.23351   18.0497      1.3093    96.7792     224.141     22.671      224.141     
1 1 1 5  16 25 o 10.3221 3.0841  -0.427253    0.324047  0.194929     0.306024  14.0228     185.531     30.9538     185.531     
1 1 1 5  16 26 o 14.4582 3.69147 0.276151     0.353397  0.371998     0.357493  9.38609     183.955     25.4497     183.955     
1 1 1 5  16 27 o 51.2336 2.49809 5.78581      0.655385  4.03427      0.647309  36.1235     121.178     11.6321     301.178     
1 1 1 5  16 28 o 18.9504 3.82012 0.802705     0.402041  0.573709     0.390448  0.202266    223.43      4.25349     43.4297     
1 1 1 5  16 29 o 65.5877 2.61186 8.0324       0.885768  7.95919      0.883008  48.2841     142.827     13.1817     322.827     
1 1 1 5  16 30 o 24.412  3.99284 1.06999      0.51794   1.26241      0.474187  2.98163     344.092     26.8314     164.092     
1 1 1 5  16 31 o 43.547  2.82368 3.8423       0.627396  3.29141      0.62957   37.8288     127.283     8.48631     127.283     
1 1 1 5  16 32 o 52.9531 2.54207 5.84325      0.694855  4.67232      0.686195  50.7924     337.35      16.3558     337.35      
1 1 1 5  16 33 o 80.4683 2.34884 10.729       0.96286   13.4832      0.984809  76.2563     333.406     17.8467     333.406     
1 1 1 5  16 34 o 64.9227 2.63166 7.39947      0.876374  8.45221      0.884856  53.4187     315.976     1.0641      135.976     
1 1 1 5  16 35 o 49.2495 2.93122 4.85772      0.731064  4.36589      0.748516  33.9083     345.74      13.0478     165.74      
1 1 1 5  16 36 o 19.7909 4.46543 0.578506     0.474176  0.967183     0.566939  10.6182     354.453     3.41384     174.453     
1 1 1 5  16 37 o 16.9971 4.23766 0.450852     0.494746  0.573938     0.440257  7.28894     261.971     1.84111     81.9711     
1 1 1 5  16 38 f 46.218  2.91866 4.33268      0.723321  3.85702      0.660919  26.4895     39.7059     0           0           
1 1 1 5  16 39 o 17.507  4.00121 0.868811     0.43852   0.274384     0.440903  8.35069     173.285     3.78067     353.285     
1 1 1 5  16 40 o 25.5922 3.97495 0.722303     0.521734  2.04607      0.544642  19.8909     208.012     2.92366     208.012     
1 1 1 5  16 41 o 40.09   3.25344 3.26253      0.672511  3.06472      0.655104  39.0594     328.971     15.8041     328.971     
1 1 1 5  16 42 o 22.6567 4.32995 1.2266       0.513085  0.951939     0.535552  13.3473     18.299      5.7391      198.299     
1 1 1 5  16 43 o 50.725  2.87327 4.84991      0.741511  5.19981      0.756543  47.9979     154.136     15.755      154.136     
1 1 1 5  16 44 o 14.7881 4.00422 -0.000482079 0.45974   0.615742     0.455894  4.88446     214.851     0.144807    34.8511     
1 1 1 5  16 45 o 24.3823 4.20483 0.92507      0.535579  1.71474      0.544858  11.4693     354.53      13.6137     174.53      
1 1 1 5  16 46 o 28.2515 3.99779 2.53927      0.585047  1.06415      0.55389   17.5619     38.0169     7.62673     218.017     
1 1 1 5  16 47 o 15.0818 3.93894 0.888934     0.489511  -0.360511    0.491727  3.38835     232.847     0.746466    232.847     
1 1 1 5  16 48 o 10.3015 3.45338 -0.148988    0.468127  -0.906971    0.566416  0.286894    132.787     6.70161     132.787     
1 1 1 5  16 49 o 37.6007 4.47629 4.06838      0.845834  2.65494      0.814614  28.3019     236.469     0.19444     236.469     
1 1 1 5  16 50 o 11.4609 3.72505 -0.365571    0.574965  0.0236545    0.462991  1.11433     333.156     3.3006      153.156     
1 1 1 5  16 51 o 14.2862 4.3295  0.390829     0.558492  0.250791     0.591802  2.58753     231.951     10.795      51.9513     
1 1 1 5  16 52 o 17.7861 4.28397 1.44376      0.585921  -0.0429764   0.549682  5.53162     26.926      10.9935     206.926     
1 1 1 5  16 53 o 18.7626 4.74167 1.27505      0.606089  0.606384     0.617048  7.85629     279.034     2.38573     279.034     
1 1 1 5  16 54 o 18.2899 5.0096  1.02151      0.686266  0.956347     0.667838  9.33332     182.678     1.48618     2.6777      
1 1 1 5  16 55 o 20.6706 4.99753 1.70764      0.668625  0.815699     0.725065  13.8996     332.528     6.074       332.528     
1 1 1 5  17 0  o 160.379 2.08213 47.2272      1.72964   47.2272      1.72964   194.084     270         96.6406     270         
1 1 1 5  17 1  o 158.116 2.23249 44.577       1.82494   47.2602      1.83366   125.353     3.51029     30.3684     183.51      
1 1 1 5  17 2  o 315.078 2.71617 183.642      4.42629   181.307      4.4457    342.357     129.84      116.462     129.84      
1 1 1 5  17 3  o 98.6478 2.49064 16.923       1.26212   18.9074      1.27885   58.1437     29.6409     54.029      209.641     
1 1 1 5  17 4  o 42.5604 2.90204 3.16019      0.62558   3.56928      0.637707  9.47701     348.915     20.6961     168.915     
1 1 1 5  17 5  o 153.214 2.44922 41.9995      1.93752   44.2678      1.95216   89.6281     30.5126     93.5114     210.513     
1 1 1 5  17 6  f 49.8801 2.7994  4.49856      0.713896  4.70845      0.721711  42.773      58.8617     0           0           
1 1 1 5  17 7  o 126.805 2.46166 28.5414      1.60501   30.6058      1.62727   100.398     25.6857     21.2934     205.686     
1 1 1 5  17 8  o 232.676 2.54453 97.2178      3.05812   101.783      3.07901   250.94      312.487     86.1611     312.487     
1 1 1 5  17 9  o 105.905 2.59216 20.855       1.46873   20.423       1.37225   85.8018     311.53      10.6906     131.53      
1 1 1 5  17 10 o 143.2   2.67846 38.4339      1.98407   37.0195      1.98822   149.816     285.303     49.489      285.303     
1 1 1 5  17 11 o 116.963 2.70226 25.9465      1.634     24.4214      1.63704   127.994     310.683     56.5996     310.683     
1 1 1 5  17 12 o 215.196 2.94689 82.6416      3.1085    87.7935      3.46474   188.783     202.872     5.97809     22.8722     
1 1 1 5  17 13 o 143.127 2.75243 39.9618      2.04378   35.5058      2.03182   147.111     310.442     44.0409     310.442     
1 1 1 5  17 14 o 25.3052 4.07669 1.07322      0.506126  1.39286      0.541683  15.3712     347.964     55.8768     347.964     
1 1 1 5  17 15 o 33.1416 3.55666 2.00812      0.586532  2.13407      0.597001  3.57941     169.208     25.7023     349.208     
1 1 1 5  17 16 o 122.995 2.53882 28.0659      1.61425   27.6175      1.61945   104.566     78.2704     4.68529     258.27      
1 1 1 5  17 17 o 196.579 2.37007 71.0095      2.41178   71.0745      2.41835   235.523     156.243     126.483     156.243     
1 1 1 5  17 18 o 93.1737 2.18043 16.0545      1.05313   15.8892      1.05014   82.7629     50.4564     8.89701     50.4564     
1 1 1 5  17 19 o 44.6298 2.68577 3.77661      0.61761   3.61057      0.613096  21.202      55.8207     14.3891     235.821     
1 1 1 5  17 20 o 118.707 2.26362 26.0834      1.43726   25.7903      1.34488   104.199     69.0226     5.07671     69.0227     
1 1 1 5  17 21 o 106.384 2.18022 21.3433      1.20339   20.3328      1.19824   111.182     147.177     44.0485     147.177     
1 1 1 5  17 22 o 99.5689 2.27694 18.8097      1.14483   17.7362      1.19937   111.801     183.868     58.6431     183.868     
1 1 1 5  17 23 o 94.5365 2.34019 16.8481      1.14938   16.1282      1.14041   108.729     329.885     61.0213     329.885     
1 1 1 5  17 24 o 38.1899 2.89677 2.83925      0.567623  2.61864      0.560796  20.4546     238.627     14.9863     58.6271     
1 1 1 5  17 25 o 90.9729 2.23069 15.786       1.0527    14.7849      1.04726   77.0214     204.074     1.32831     24.0744     
1 1 1 5  17 26 o 107.339 2.22238 21.1415      1.23511   21.4241      1.23525   112.219     190.58      41.3735     190.58      
1 1 1 5  17 27 o 35.7272 2.85979 2.34654      0.519078  2.4523       0.521367  20.0935     316.485     13.9734     136.485     
1 1 1 5  17 28 o 10.3999 3.08886 0.206079     0.313926  -0.302841    0.292151  14.0754     5.11139     34.7015     5.11139     
1 1 1 5  17 29 o 50.6913 2.63912 4.88914      0.680642  4.71401      0.695953  37.7241     116.52      6.66823     296.52      
1 1 1 5  17 30 o 37.375  3.41261 2.69818      0.6439    2.6395       0.647423  33.5121     22.4985     19.6343     22.4985     
1 1 1 5  17 31 f 49.7795 3.03896 4.9393       0.729152  4.43655      0.813587  43.4019     243.327     0           0           
1 1 1 5  17 32 o 35.3372 2.93863 2.49265      0.526409  2.26451      0.528233  3.64342     270.959     50.1662     90.9589     
1 1 1 5  17 33 o 12.5673 3.74981 0.119686     0.457191  0.0102037    0.377513  8.02166     210.403     30.7452     210.403     
1 1 1 5  17 34 o 21.7939 4.02913 0.632103     0.473483  1.27732      0.477292  13.9449     325.502     2.32791     325.502     
1 1 1 5  17 35 o 13.7678 3.29962 -0.508311    0.358038  0.735322     0.379753  2.74662     337.143     4.75578     157.143     
1 1 1 5  17 36 o 33.8383 3.48034 2.50433      0.627482  1.99542      0.557739  26.3772     199.541     0.402978    19.5404     
1 1 1 5  17 37 o 26.9026 4.01827 1.46961      0.498191  1.46942      0.586599  21.7743     134.875     4.19996     134.875     
1 1 1 5  17 38 o 7.81248 2.65969 -0.262813    0.323512  -0.783098    0.326163  6.84967     183.761     19.6713     183.761     
1 1 1 5  17 39 o 21.862  4.25753 0.686471     0.490275  1.31495      0.531539  5.17836     41.8397     22.3457     221.84      
1 1 1 5  17 40 o 30.3995 3.65542 2.12204      0.565815  1.6301       0.541819  21.3614     352.4       3.70198     172.4       
1 1 1 5  17 41 o 41.0555 3.2665  3.06323      0.677004  3.62169      0.684913  37.7519     153.706     11.5318     153.706     
1 1 1 5  17 42 f 48.3135 3.02937 4.97416      0.728648  4.2351       0.763834  39.3678     278.427     0           0           
1 1 1 5  17 43 o 42.3905 3.08223 3.56454      0.669599  3.59915      0.665614  33.429      215.164     0.479722    215.164     
1 1 1 5  17 44 o 34.2768 3.5651  2.72405      0.614977  2.17139      0.607165  30.999      274.659     9.97648     274.659     
1 1 1 5  17 45 o 19.1623 4.51413 0.78215      0.52378   0.883918     0.527607  13.4266     255.544     2.94529     255.544     
1 1 1 5  17 46 o 22.011  4.40589 0.722024     0.572564  1.52713      0.542521  15.6671     299.271     1.4658      299.271     
1 1 1 5  17 47 o 14.2786 4.15981 -0.106882    0.526765  0.599591     0.525896  3.3616      120.642     1.23367     300.642     
1 1 1 5  17 48 o 9.70528 3.31275 -1.02989     0.484135  -0.220461    0.521823  0.955122    57.7887     7.81563     57.7888     
1 1 1 5  17 49 o 17.2975 4.65271 0.833332     0.521785  0.551078     0.676212  6.6231      197.513     8.93086     17.5128     
1 1 1 5  17 50 o 18.4816 4.32407 1.84805      0.688893  -0.432635    0.556254  9.12433     106.122     2.9384      106.122     
1 1 1 5  17 51 o 17.4387 4.59939 0.875248     0.559193  0.679922     0.561465  7.08046     168.826     4.0517      348.826     
1 1 1 5  17 52 o 13.6523 4.1852  0.318891     0.546013  0.224358     0.549912  2.40823     127.439     3.88551     307.439     
1 1 1 5  17 53 o 12.1674 3.91041 0.0835474    0.5567    0.00876931   0.519001  1.11478     93.788      7.99085     273.788     
1 1 1 5  17 54 o ?       ?       ?            ?         ?            ?         17.4532     291.431     0           0           
1 1 1 5  18 0  o 15.4658 4.14509 0.594682     0.311909  0.594682     0.311909  64.7062     90          146.337     90          
1 1 1 5  18 1  o 168.425 2.26577 50.987       1.97513   53.2322      1.98055   146.772     50.119      4.48513     230.119     
1 1 1 5  18 2  o 95.0672 2.51159 16.2036      1.23186   17.0654      1.23868   54.3547     186.911     55.0312     6.91055     
1 1 1 5  18 3  o 140.208 2.48642 36.4745      1.80628   35.7985      1.80629   144.405     89.3478     44.4225     89.3478     
1 1 1 5  18 4  o 81.8407 2.56795 12.3103      1.08119   12.359       1.09218   44.1504     168.57      50.4774     348.57      
1 1 1 5  18 5  o 320.928 2.7383  189.563      4.55479   189.2        4.55588   295.603     103.148     16.7869     103.148     
1 1 1 5  18 6  o 226.165 2.53783 92.6442      2.9685    95.3878      2.98163   238.228     68.0487     74.5974     68.0487     
1 1 1 5  18 7  o 213.18  2.52363 82.3894      2.77937   84.6736      2.79787   205.275     146.838     31.9776     146.838     
1 1 1 5  18 8  o 50.6829 2.961   5.1748       0.795176  4.35998      0.745774  24.6727     327.415     25.928      147.415     
1 1 1 5  18 9  o 65.9944 2.85929 8.21166      0.971373  7.87467      0.97506   59.4239     338.099     19.4171     338.099     
1 1 1 5  18 10 o 128.324 2.70409 31.704       1.79532   28.9526      1.79525   125.211     187.893     27.4891     187.893     
1 1 1 5  18 11 o 162.586 2.4926  49.2103      2.09904   47.9871      2.10208   166.173     21.8954     47.2729     21.8954     
1 1 1 5  18 12 o 115.634 2.80264 25.6719      1.67591   23.6187      1.67665   103.884     40.847      8.36207     40.847      
1 1 1 5  18 13 o 112.951 2.66947 22.9379      1.4725    24.0661      1.64755   88.356      9.29364     18.2779     189.294     
1 1 1 5  18 14 o 168.207 2.51234 52.2032      2.18277   51.878       2.19824   150.517     105.737     6.50589     105.737     
1 1 1 5  18 15 o 224.387 2.58611 94.1887      3.00488   91.1153      3.01035   214.453     63.5182     34.3234     63.5182     
1 1 1 5  18 16 f 68.4886 2.73195 8.89931      0.969333  8.4344       0.962209  41.4179     151.659     0           0           
1 1 1 5  18 17 o 139.149 2.54503 35.6363      1.8264    35.7067      1.84192   142.485     10.6229     46.0802     10.6229     
1 1 1 5  18 18 o 92.2803 2.54213 16.3341      1.16724   15.0926      1.25353   60.7532     118.814     34.5335     298.814     
1 1 1 5  18 19 o 95.9499 2.33607 17.5456      1.16239   16.4037      1.15707   68.8538     125.013     25.1734     305.013     
1 1 1 5  18 20 o 54.9129 2.36191 5.62948      0.671042  5.52156      0.667197  44.8065     265.865     6.53141     265.865     
1 1 1 5  18 21 o 127.592 2.26023 29.9215      1.44712   30.0885      1.54007   114.948     45.091      10.2918     45.091      
1 1 1 5  18 22 o 110.66  2.33803 23.1128      1.34051   22.1077      1.33828   86.1118     163.517     18.0264     343.517     
1 1 1 5  18 23 o 61.26   2.4962  6.95569      0.789603  6.9587       0.789006  45.473      319.569     10.9974     139.569     
1 1 1 5  18 24 o 58.1385 2.43652 6.44663      0.757259  6.09614      0.704808  44.4072     166.188     7.07896     346.188     
1 1 1 5  18 25 o 20.1996 3.65532 0.866958     0.392206  0.720562     0.377635  1.33923     78.1682     24.9218     78.1682     
1 1 1 5  18 26 o 61.7785 2.77673 7.73001      0.81565   6.53513      0.93324   51.0847     189.057     0.435399    189.057     
1 1 1 5  18 27 o 81.7944 2.29797 13.1729      0.971828  11.6764      0.97024   88.1696     35.6302     40.4622     35.6302     
1 1 1 5  18 28 o 16.5641 3.97777 0.427647     0.439671  0.538269     0.381564  0.083765    174.131     7.34718     174.131     
1 1 1 5  18 29 o 41.7686 3.02473 3.33977      0.67943   3.27209      0.610276  38.666      57.4724     12.9416     57.4724     
1 1 1 5  18 30 o 32.6084 3.24847 2.41176      0.500374  1.705        0.542823  20.9059     13.8199     8.55047     193.82      
1 1 1 5  18 31 o 55.1773 2.76273 5.80515      0.787857  5.68743      0.78228   52.7977     97.0594     15.6137     97.0594     
1 1 1 5  18 32 o 59.9499 2.60309 6.28449      0.82478   7.27125      0.776961  53.5038     162.726     8.38665     162.726     
1 1 1 5  18 33 o 19.9494 4.01328 0.588801     0.451977  0.988618     0.436911  5.64738     8.49981     2.63549     8.49981     
1 1 1 5  18 34 o 55.2479 2.57972 6.27709      0.734162  5.27435      0.730735  56.8957     178.306     24.1255     178.306     
1 1 1 5  18 35 o 36.2253 3.18632 2.51635      0.579753  2.57655      0.591105  30.7932     292.77      4.68474     292.77      
1 1 1 5  18 36 o 45.1118 2.87217 3.791        0.648808  4.0288       0.68021   30.6414     334.072     11.3968     154.072     
1 1 1 5  18 37 o 54.225  2.88814 5.7071       0.796906  5.60443      0.814386  58.0461     255.426     29.6558     255.426     
1 1 1 5  18 38 o 16.7807 4.20779 0.584388     0.417999  0.446164     0.510481  6.2695      26.6409     7.96242     206.641     
1 1 1 5  18 39 o 55.4983 2.87285 6.17831      0.829668  5.75076      0.811508  54.7027     221.788     21.2056     221.788     
1 1 1 5  18 40 o 14.9805 4.02319 0.235842     0.459519  0.477895     0.417408  4.67405     7.64281     7.84134     187.643     
1 1 1 5  18 41 o 18.802  4.33206 0.450663     0.494811  1.0144       0.511725  8.36454     156.697     9.30149     336.697     
1 1 1 5  18 42 o 17.7876 4.20152 0.150031     0.501573  1.06297      0.50875   7.41265     226.403     9.57816     46.4033     
1 1 1 5  18 43 o 32.8249 3.80113 2.80453      0.641679  1.81405      0.595232  31.1072     10.1259     13.1801     10.1259     
1 1 1 5  18 44 o 30.7567 4.06859 2.86546      0.617183  1.38905      0.615296  27.6714     114.438     10.014      114.438     
1 1 1 5  18 45 o 22.267  4.40515 0.674814     0.527146  1.68265      0.591267  11.4028     185.922     8.88736     5.92179     
1 1 1 5  18 46 o 19.3185 4.33161 1.28447      0.529555  0.439998     0.523787  11.3526     18.7642     4.39471     18.7642     
1 1 1 5  18 47 o 19.8258 4.54048 1.46678      0.578001  0.354912     0.63824   11.9029     305.255     1.41803     125.256     
1 1 1 5  18 48 o 23.8389 4.58734 2.17984      0.674711  0.779572     0.578869  18.608      339.244     5.86575     339.244     
1 1 1 5  18 49 o 21.9467 5.01269 1.10117      0.664221  1.5477       0.65673   14.6413     301.627     2.71371     301.627     
1 1 1 5  18 50 o 17.25   4.82899 0.794376     0.613036  0.728143     0.673042  6.60798     189.376     3.16188     9.3761      
1 1 1 5  18 51 o 13.766  4.17864 0.466212     0.549206  0.112614     0.53283   2.61423     180.875     6.54355     0.8752      
1 1 1 5  18 52 o 21.4812 4.88386 1.69367      0.648451  0.973418     0.631003  12.6683     295.884     2.09285     115.884     
1 1 1 5  18 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  19 0  o 55.3118 2.20806 5.6671       0.628431  5.6671       0.628431  26.324      90          45.2299     270         
1 1 1 5  19 1  f 138.131 2.26089 33.9095      1.61667   36.2255      1.61977   117.412     3.30361     0           0           
1 1 1 5  19 2  o 165.515 2.494   50.8139      2.1411    49.9172      2.13831   169.665     54.8944     49.521      54.8944     
1 1 1 5  19 3  o 304.025 2.69508 168.472      4.24436   171.587      4.25      306.807     235.75      74.2678     235.75      
1 1 1 5  19 4  o 75.7069 2.57257 10.1055      0.999805  11.0328      1.01242   72.2294     146.4       23.8007     146.4       
1 1 1 5  19 5  o 77.2576 2.58276 10.48        1.02283   11.5357      1.03882   41.2411     8.76784     47.5984     188.768     
1 1 1 5  19 6  o 14.9057 3.98131 0.306698     0.418505  0.286042     0.422786  11.347      159.132     26.76       159.132     
1 1 1 5  19 7  o 175.661 2.69747 57.6499      2.45317   55.9103      2.45869   170.261     140.38      32.9064     140.38      
1 1 1 5  19 8  o 78.9523 2.77998 11.5238      1.12983   11.4793      1.13842   58.2437     240.619     14.4133     60.6189     
1 1 1 5  19 9  o 138.548 2.60235 34.0426      1.78409   36.6645      1.95101   112.961     269.182     14.7581     89.1824     
1 1 1 5  19 10 o 91.777  2.58575 15.4794      1.2208    15.5658      1.23453   50.8667     133.09      54.5452     313.09      
1 1 1 5  19 11 f 114.295 2.67289 24.0194      1.65036   24.1287      1.50883   123.014     269.45      0           0           
1 1 1 5  19 12 o 30.6426 4.29929 2.12158      0.662918  1.50115      0.653579  12.6423     343.47      63.3351     343.47      
1 1 1 5  19 13 o 177.911 2.53344 58.4119      2.33552   58.1344      2.33724   155.216     174.658     0.873392    174.658     
1 1 1 5  19 14 o 207.327 2.56514 79.5982      2.75429   78.7392      2.75912   179.036     208.171     3.63956     28.1708     
1 1 1 5  19 15 o 60.7683 2.83505 7.75169      0.882844  5.98696      0.881357  43.1561     148.373     8.72928     328.373     
1 1 1 5  19 16 o 85.3462 2.64568 13.8648      1.16451   13.0547      1.1697    79.9596     117.672     18.7198     117.672     
1 1 1 5  19 17 f 19.8944 4.25502 1.04666      0.49339   0.379308     0.512592  25.3362     155.702     0           0           
1 1 1 5  19 18 o 69.9746 3.05831 9.62074      1.10603   8.5864       1.09924   47.7552     306.375     21.2239     126.375     
1 1 1 5  19 19 o 54.7469 2.66798 5.64265      0.818253  5.48732      0.681844  55.2946     288.519     25.8645     288.519     
1 1 1 5  19 20 o 56.9442 2.35574 6.2385       0.691324  5.77765      0.692445  51.6572     130.692     10.8581     130.692     
1 1 1 5  19 21 o 41.5216 3.12382 3.2146       0.547618  3.26141      0.757156  37.5626     150.236     18.9654     150.236     
1 1 1 5  19 22 o 8.94141 2.82054 -0.118789    0.281385  -0.0908078   0.249481  30.1441     327.781     68.238      327.781     
1 1 1 5  19 23 o 49.5126 2.77021 4.27907      0.738138  4.89089      0.661292  44.0331     177.04      10.0658     177.04      
1 1 1 5  19 24 o 22.5656 3.91451 0.849389     0.522191  1.12615      0.397384  2.48213     294.308     22.425      114.308     
1 1 1 5  19 25 o 80.6928 2.27952 11.8849      0.948038  12.2846      0.954971  67.0561     98.039      1.02307     278.039     
1 1 1 5  19 26 o 62.4309 2.45795 6.96402      0.811722  7.57746      0.769139  64.8071     263.111     28.1571     263.111     
1 1 1 5  19 27 o 85.3005 2.4065  13.4023      1.05322   13.7239      1.07067   73.5102     108.272     4.24037     108.272     
1 1 1 5  19 28 o 16.6022 3.67876 0.0987347    0.391476  0.843811     0.393788  1.65385     317.371     13.9406     137.371     
1 1 1 5  19 29 o 29.3683 3.29696 2.17219      0.491922  1.23459      0.460473  22.4838     234.754     1.83498     234.754     
1 1 1 5  19 30 o 40.1511 2.7782  3.09804      0.572912  3.02574      0.568715  33.1718     127.357     2.31604     127.357     
1 1 1 5  19 31 o 46.027  2.90811 4.04085      0.686307  4.02283      0.686748  38.4415     84.1143     2.31177     84.1143     
1 1 1 5  19 32 o 12.9129 3.7848  -0.0101495   0.447697  0.206984     0.393458  0.0243857   120.172     13.7131     120.171     
1 1 1 5  19 33 o 27.9672 3.60898 1.20413      0.487553  1.9408       0.514473  17.5777     312.843     7.75427     132.843     
1 1 1 5  19 34 o 22.5099 4.00604 1.05551      0.470917  1.01748      0.463154  9.00386     47.9607     15.4714     227.961     
1 1 1 5  19 35 o 50.2647 2.81639 5.18173      0.729075  4.52383      0.723926  43.3995     18.0239     6.21652     18.024      
1 1 1 5  19 36 o 42.9176 2.8871  3.60083      0.636447  3.5196       0.632633  35.5315     143.404     3.20078     143.404     
1 1 1 5  19 37 o 17.8897 4.23595 0.458017     0.498056  0.782435     0.449809  6.97593     155.697     9.42499     335.697     
1 1 1 5  19 38 o 45.966  3.56703 4.23828      0.863368  4.22147      0.807178  41.7109     271.024     11.3111     271.024     
1 1 1 5  19 39 o 34.3764 3.48383 2.63091      0.633044  2.16628      0.573071  25.8687     190.814     1.20079     10.8137     
1 1 1 5  19 40 o 46.37   3.14193 4.17674      0.739635  4.39684      0.752172  36.6088     342.738     0.446542    342.739     
1 1 1 5  19 41 o 24.576  4.54447 1.10086      0.564981  1.63603      0.61655   13.6522     131.929     9.02976     311.929     
1 1 1 5  19 42 o 25.9365 4.23655 1.86614      0.548613  1.15685      0.584532  20.9027     315.837     4.25422     315.837     
1 1 1 5  19 43 o 16.4985 3.87102 1.1256       0.49157   -0.273023    0.47617   8.52505     306.057     2.82745     126.057     
1 1 1 5  19 44 o 23.066  4.26085 0.689964     0.539248  1.82156      0.56647   18.533      94.0653     9.16958     94.0653     
1 1 1 5  19 45 o 28.2999 4.10801 1.09437      0.576352  2.70315      0.610554  22.4793     22.2222     4.67935     22.2222     
1 1 1 5  19 46 o 13.0843 3.92185 0.477342     0.485835  -0.218829    0.493382  2.90989     12.6227     6.34254     192.623     
1 1 1 5  19 47 o 49.4086 3.53531 5.18852      0.872966  5.55218      0.913172  44.344      43.6929     14.5353     43.6929     
1 1 1 5  19 48 o 10.343  3.44969 -0.4172      0.496068  -0.193075    0.47214   1.38404     194.45      9.56535     194.45      
1 1 1 5  19 49 o 24.129  4.36281 0.565127     0.634653  2.46001      0.650145  16.8744     242.09      3.22276     242.09      
1 1 1 5  19 50 o 10.4775 3.52441 -0.784871    0.489376  0.00797972   0.558311  0.0786213   137.151     1.98849     137.151     
1 1 1 5  19 51 o 13.5322 4.16479 0.0380189    0.58694   0.4563       0.534453  3.25214     215.22      4.42261     35.2203     
1 1 1 5  19 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  20 0  o 91.3752 2.10771 15.3722      0.995913  15.3722      0.995913  100.302     270         39.3917     270         
1 1 1 5  20 1  o 9.86931 2.86873 0.21168      0.265113  -0.272116    0.253358  21.5537     151.543     45.8407     151.543     
1 1 1 5  20 2  o 95.8862 2.5473  16.7142      1.25655   17.1759      1.27112   91.4297     260.043     23.6841     260.043     
1 1 1 5  20 3  o 57.2155 2.74803 6.4716       0.809985  5.65527      0.807526  44.0773     117.839     10.1947     117.839     
1 1 1 5  20 4  o 25.9222 3.97646 1.32602      0.531586  1.2579       0.506333  6.80377     62.2883     30.8662     62.2883     
1 1 1 5  20 5  o 73.4554 2.83484 10.8411      1.07379   9.139        1.07085   49.1663     147.609     21.2787     327.609     
1 1 1 5  20 6  o 255.299 2.83849 119.564      3.75105   120.687      3.76164   275.708     233.76      105.486     233.76      
1 1 1 5  20 7  o 30.6299 3.69967 1.54676      0.557207  2.03618      0.571303  2.00317     70.5554     31.1484     70.5554     
1 1 1 5  20 8  o 98.7948 2.56317 18.3038      1.29984   17.6975      1.32024   88.2587     70.7336     11.1922     70.7336     
1 1 1 5  20 9  o 214.256 2.56122 84.8304      2.84058   84.2913      2.84841   230.47      11.1012     88.741      11.1012     
1 1 1 5  20 10 o 41.8071 3.09307 2.93321      0.651184  3.60995      0.664487  19.3828     218.43      15.3042     38.4301     
1 1 1 5  20 11 o 57.7259 3.22495 7.21104      0.958808  5.26376      0.938757  51.5967     166.983     22.7113     166.983     
1 1 1 5  20 12 o 146.806 2.67561 40.437       1.92808   39.1141      2.13269   129.276     74.1291     5.49261     74.1291     
1 1 1 5  20 13 o 83.0397 2.63901 12.2335      1.12269   13.2762      1.14267   63.9548     127.621     11.5092     307.621     
1 1 1 5  20 14 o 87.2364 2.64224 15.4475      1.1898    12.7674      1.18618   69.2785     164.025     8.85251     344.025     
1 1 1 5  20 15 o 128.554 2.55734 31.5138      1.69852   29.581       1.70484   141.261     15.8851     62.6762     15.8851     
1 1 1 5  20 16 o 157.827 2.56509 46.6888      2.09471   45.3736      2.10191   151.761     288.963     31.5561     288.963     
1 1 1 5  20 17 o 89.3118 2.8323  16.4929      1.23888   13.2087      1.34887   89.487      176.316     28.415      176.316     
1 1 1 5  20 18 o 21.2875 4.65215 0.995961     0.559787  0.70801      0.581234  1.06726     48.2595     26.5943     48.2595     
1 1 1 5  20 19 o 25.9446 4.16093 1.54243      0.550116  1.09729      0.547839  8.56142     217.292     2.04775     37.2915     
1 1 1 5  20 20 o 29.451  3.92945 1.58947      0.495098  1.77506      0.658349  6.06094     175.289     31.4892     355.289     
1 1 1 5  20 21 o 62.6927 2.64238 7.7736       0.801335  6.88575      0.89651   55.2324     281.607     7.85569     281.607     
1 1 1 5  20 22 o 99.9091 2.38709 18.5753      1.23125   18.4849      1.23766   96.7525     161.673     25.5309     161.673     
1 1 1 5  20 23 o 45.1573 2.63615 4.29958      0.636039  3.37048      0.585053  35.1782     175.291     1.25797     355.291     
1 1 1 5  20 24 o 66.0823 2.36929 9.06019      0.813734  7.26341      0.797985  49.9368     146.919     9.66605     326.919     
1 1 1 5  20 25 o 33.1278 2.92688 1.91164      0.488593  2.27342      0.491296  5.5051      231.74      41.9443     51.74       
1 1 1 5  20 26 o 82.6355 2.43118 13.5741      1.04017   11.9781      1.03514   77.2317     148.58      16.9886     148.58      
1 1 1 5  20 27 o 27.3176 3.42029 1.21538      0.456664  1.7212       0.472223  22.2836     336.079     8.76018     336.079     
1 1 1 5  20 28 o 44.8157 2.64006 4.14966      0.607277  3.45793      0.604028  31.9776     311.973     8.71473     131.973     
1 1 1 5  20 29 o 33.1436 2.95056 2.09286      0.496308  2.12118      0.495064  24.5712     145.569     2.99265     325.569     
1 1 1 5  20 30 o 40.7702 2.78631 3.60483      0.591595  2.75397      0.565438  28.5315     112.716     8.51118     292.716     
1 1 1 5  20 31 o 44.757  2.8095  4.12091      0.675635  3.5368       0.614813  35.4327     202.64      1.05705     22.6401     
1 1 1 5  20 32 f 20.0883 4.22462 0.381837     0.493953  1.21808      0.518422  1.97558     9.44508     0           0           
1 1 1 5  20 33 o 41.6665 3.14248 3.50721      0.709818  3.24493      0.626261  37.5092     73.2415     9.44655     73.2415     
1 1 1 5  20 34 f 16.4596 4.037   0.720818     0.459916  0.283596     0.402245  18.4975     208.488     0           0           
1 1 1 5  20 35 f 44.4833 2.90958 3.82691      0.681681  3.84473      0.644066  38.5371     293.384     0           0           
1 1 1 5  20 36 o 19.0085 3.96108 1.09685      0.448649  0.352567     0.450158  10.7398     279.115     3.47449     279.115     
1 1 1 5  20 37 o 29.7019 3.92645 1.24904      0.537253  2.51411      0.625035  16.1713     247.677     13.0981     67.6769     
1 1 1 5  20 38 o 12.6468 3.83731 0.20985      0.504195  -0.0485045   0.395478  2.1833      190.423     2.20254     10.4228     
1 1 1 5  20 39 o 14.8897 3.93992 -0.0972906   0.423456  0.745212     0.478536  5.28907     243.462     7.55609     63.4622     
1 1 1 5  20 40 o 12.3254 3.71292 0.32305      0.451545  -0.209472    0.412134  1.93233     250.11      9.98292     70.1098     
1 1 1 5  20 41 o 8.45248 2.89608 -0.932604    0.409253  -0.325051    0.392008  1.40954     281.968     7.73312     281.968     
1 1 1 5  20 42 o 12.8448 3.89097 0.0317388    0.456783  0.233542     0.472111  0.692766    110.95      13.6476     290.95      
1 1 1 5  20 43 o 22.8986 4.32863 1.03295      0.524712  1.43924      0.533387  17.7536     144.582     8.48582     144.582     
1 1 1 5  20 44 o 43.3861 3.29578 4.18825      0.729451  3.79877      0.727744  41.9155     69.7293     19.0954     69.7293     
1 1 1 5  20 45 o 29.1685 4.32807 1.82129      0.61848   2.23808      0.649665  27.898      161.666     17.0295     161.666     
1 1 1 5  20 46 o 24.6995 4.64018 1.48687      0.594238  1.62412      0.614437  18.2341     84.0392     3.75346     84.0392     
1 1 1 5  20 47 f 11.9918 3.82653 0.313798     0.529961  -0.513861    0.530228  4.95319     178.029     0           0           
1 1 1 5  20 48 f 18.2479 4.8361  0.546924     0.692627  1.1584       0.613177  10.785      71.6409     0           0           
1 1 1 5  20 49 o 13.1894 3.94731 -0.37361     0.513385  0.646782     0.515518  1.61969     158.731     1.75966     338.731     
1 1 1 5  20 50 o 15.4974 4.45473 0.177062     0.555574  0.911666     0.608051  5.98142     242.747     3.65391     62.7469     
1 1 1 5  20 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  21 0  o 204.739 2.1338  77.0292      2.26346   77.0292      2.26346   221.001     90          84.1613     90          
1 1 1 5  21 1  o 151.661 2.27314 43.4608      1.78815   41.2535      1.78507   128.239     282.373     4.96123     102.373     
1 1 1 5  21 2  o 82.5385 2.66884 14.1712      1.18557   11.1055      1.08895   60.4033     162.314     17.1683     342.314     
1 1 1 5  21 3  o 61.1093 2.83678 7.01896      0.919901  6.82886      0.867136  51.5331     266.265     7.56377     266.265     
1 1 1 5  21 4  o 14.235  3.83888 0.456208     0.412625  -0.0323846   0.415062  12.0753     259.372     30.0897     259.372     
1 1 1 5  21 5  o 106.702 2.71698 20.9874      1.49404   21.0948      1.50658   119.302     313.761     59.8109     313.761     
1 1 1 5  21 6  o 60.4466 2.84122 6.55703      0.846981  7.00447      0.923525  37.9161     183.036     22.5534     3.03549     
1 1 1 5  21 7  o 45.8787 2.98288 4.38983      0.694449  3.48551      0.699413  9.2736      183.224     55.1735     3.22401     
1 1 1 5  21 8  o 53.7733 2.82345 5.47733      0.771766  5.27021      0.79025   29.6007     138.038     28.0526     318.038     
1 1 1 5  21 9  o 53.0386 2.82455 4.94012      0.761383  5.52911      0.779249  16.0623     288.084     55.528      108.084     
1 1 1 5  21 10 o 32.6766 3.78774 2.06959      0.655459  2.009        0.582071  7.93618     8.84284     33.3806     188.843     
1 1 1 5  21 11 o 66.8631 3.06045 9.12141      1.05612   7.56081      1.04717   62.7948     282.855     15.2861     282.855     
1 1 1 5  21 12 o 86.4973 2.60667 13.6976      1.15739   14.0229      1.17476   69.1307     146.25      8.15523     326.25      
1 1 1 5  21 13 o 43.6223 3.06663 3.77562      0.678525  3.36358      0.687207  40.4443     38.0672     18.315      38.0672     
1 1 1 5  21 14 o 30.5435 3.77629 2.14371      0.568625  1.47079      0.573644  14.7977     135.938     12.4771     315.938     
1 1 1 5  21 15 o 64.7873 2.77745 7.91707      0.922995  7.71248      0.933439  55.598      339.667     4.47983     339.667     
1 1 1 5  21 16 o 31.2582 3.76529 2.10964      0.580419  1.66419      0.590477  14.187      183         16.5375     2.99969     
1 1 1 5  21 17 o 59.4164 3.12674 6.65015      0.953086  6.58851      0.959062  43.4807     345.14      10.4979     165.14      
1 1 1 5  21 18 o 92.0999 2.80768 16.4429      1.39962   15.1984      1.27531   71.9728     105.088     10.9287     285.088     
1 1 1 5  21 19 o 34.8622 3.90322 2.8919       0.623938  1.85616      0.698515  26.4796     0.277635    14.059      0.277635    
1 1 1 5  21 20 o 82.309  2.98047 12.8738      1.25842   12.5312      1.27587   66.9812     332.249     3.47301     152.249     
1 1 1 5  21 21 o 53.6275 3.2888  5.4035       0.890333  5.50171      0.920021  36.7203     330.952     14.2017     150.952     
1 1 1 5  21 22 o 48.1243 2.67483 4.22506      0.645522  4.483        0.678397  43.9603     266.622     11.0895     266.622     
1 1 1 5  21 23 o 33.0618 3.09659 1.6797       0.516781  2.54961      0.489656  27.0289     89.7765     4.63082     89.7765     
1 1 1 5  21 24 f 80.4861 2.31478 12.1937      0.968496  12.0038      0.958961  60.6091     184.135     0           0           
1 1 1 5  21 25 o 18.8036 3.8418  0.830675     0.407156  0.564943     0.391036  7.86267     328.477     1.14243     148.477     
1 1 1 5  21 26 o 104.361 2.37166 21.8044      1.32622   19.0086      1.23646   105.837     342.625     38.5775     342.625     
1 1 1 5  21 27 o 14.3163 3.46435 -0.085275    0.36204   0.637343     0.348901  2.00395     356.276     12.5805     176.276     
1 1 1 5  21 28 o 35.9515 2.91651 2.83271      0.539289  2.14716      0.520806  34.8538     248.565     14.2593     248.565     
1 1 1 5  21 29 o 11.0471 3.19312 -0.486463    0.349227  0.3214       0.326588  2.30279     38.5558     14.9482     38.5558     
1 1 1 5  21 30 o 39.8493 2.97961 3.43181      0.634665  2.71636      0.576353  35.0958     178.199     7.56536     178.199     
1 1 1 5  21 31 o 34.8555 3.36541 2.07496      0.576266  2.72806      0.600995  33.9359     205.2       15.2363     205.2       
1 1 1 5  21 32 o 12.3661 3.48653 0.460612     0.398217  -0.38481     0.364986  0.925873    262.539     3.15366     82.5386     
1 1 1 5  21 33 o 24.8385 4.4142  1.09959      0.544129  1.52167      0.596529  17.0784     39.8041     1.32948     219.804     
1 1 1 5  21 34 o 24.8379 4.00413 1.59506      0.536655  1.00056      0.47927   17.9539     83.1769     0.438584    83.1769     
1 1 1 5  21 35 o 28.8525 3.61978 1.59721      0.520351  1.8075       0.521823  24.8934     335.718     7.53357     335.718     
1 1 1 5  21 36 o 23.1577 4.04437 1.2737       0.491277  1.01768      0.476649  17.823      122.024     3.64819     122.024     
1 1 1 5  21 37 o 12.4295 3.74102 0.249454     0.443005  -0.103237    0.416371  2.66573     201.158     5.8867      21.1577     
1 1 1 5  21 38 o 21.4444 4.05218 1.47271      0.50156   0.554733     0.477973  13.2226     166.747     3.94938     346.747     
1 1 1 5  21 39 o 28.2792 4.41193 1.90589      0.631113  1.70558      0.628163  15.8687     120.011     10.7006     300.011     
1 1 1 5  21 40 o 20.1663 4.6223  0.965575     0.536148  0.93845      0.569069  6.52765     223.514     15.5683     43.5142     
1 1 1 5  21 41 o 15.374  3.88337 1.0048       0.49832   -0.402174    0.472937  3.17014     139.368     13.1448     319.368     
1 1 1 5  21 42 o 8.53328 2.92959 -0.696522    0.415156  -0.448449    0.40225   0.842802    139.946     3.79438     139.946     
1 1 1 5  21 43 o 20.851  4.50881 1.18551      0.541466  0.961803     0.527754  14.5026     103.042     6.25967     103.042     
1 1 1 5  21 44 o 12.7151 3.82267 0.517318     0.48472   -0.385244    0.476625  1.72053     256.098     1.82309     76.098      
1 1 1 5  21 45 o 21.497  4.32759 2.02838      0.629044  0.256746     0.593279  12.3301     309.935     3.09054     129.935     
1 1 1 5  21 46 o 14.7609 4.20019 0.75599      0.53146   0.037221     0.510928  3.36344     230.231     4.79069     50.2307     
1 1 1 5  21 47 o 16.5913 4.75919 0.527016     0.67191   0.808399     0.621975  6.27771     65.4752     2.47845     245.475     
1 1 1 5  21 48 o 14.2233 4.12349 -0.702129    0.564059  0.990856     0.592499  2.01749     49.0474     0.581481    229.047     
1 1 1 5  21 49 o 17.5875 4.6087  1.14979      0.596846  0.511688     0.556316  9.31249     80.7387     1.59396     80.7387     
1 1 1 5  22 0  o 31.5167 3.13044 1.93561      0.482464  1.93561      0.482464  6.51275     89.9997     3.07258     89.9997     
1 1 1 5  22 1  o 14.9746 3.23694 0.770047     0.327033  -0.283716    0.385143  11.6416     41.8882     37.2155     41.8882     
1 1 1 5  22 2  o 84.3414 2.80436 13.2694      1.21773   13.133       1.22739   76.9839     175.164     12.2175     175.164     
1 1 1 5  22 3  o 68.5038 2.85292 9.0764       1.00379   8.37761      1.01168   77.8582     34.9046     45.5673     34.9046     
1 1 1 5  22 4  o 30.6208 3.60421 1.62412      0.528764  1.97034      0.575147  15.1604     173.991     11.2951     353.991     
1 1 1 5  22 5  o 27.4844 3.76292 1.48621      0.511502  1.42828      0.521793  11.9876     19.3613     3.58656     199.361     
1 1 1 5  22 6  o 32.8305 3.39888 2.06507      0.558167  2.03077      0.564291  4.96756     7.9708      40.807      187.971     
1 1 1 5  22 7  o 126.747 2.53191 29.6943      1.65881   29.7894      1.66481   140.61      63.903      66.184      63.903      
1 1 1 5  22 8  o 67.0418 2.75442 9.33399      0.948722  7.43777      0.947628  44.5774     167.73      22.5251     347.73      
1 1 1 5  22 9  o 118.227 2.55046 24.4223      1.54912   27.4273      1.5704    115.119     118.629     29.8222     118.629     
1 1 1 5  22 10 f 37.2521 3.46841 2.98789      0.689175  2.305        0.616361  21.7155     138.018     0           0           
1 1 1 5  22 11 o 33.7094 3.96458 1.95295      0.656612  2.44187      0.676993  19.6654     207.519     9.0869      27.5187     
1 1 1 5  22 12 o 39.7068 3.1764  2.87546      0.624821  3.0807       0.659959  27.5956     14.1234     5.13031     194.123     
1 1 1 5  22 13 o 61.1285 2.79374 7.55891      0.88242   6.41948      0.874399  43.3858     206.361     13.6566     26.3615     
1 1 1 5  22 14 o 182.717 2.58264 64.1055      2.44665   59.9462      2.44353   173.482     266.13      36.7494     266.13      
1 1 1 5  22 15 o 38.2786 3.30071 2.74965      0.629921  2.82131      0.652882  15.6225     43.4349     29.2302     223.435     
1 1 1 5  22 16 o 75.4592 2.86977 10.9055      1.06183   10.4197      1.16891   68.205      318.234     11.4989     318.234     
1 1 1 5  22 17 o 64.5008 3.15382 8.28205      1.04213   7.42371      1.05059   46.9071     324.99      12.6281     144.99      
1 1 1 5  22 18 o 19.7405 4.37773 0.937795     0.486593  0.522101     0.53948   2.60726     205.656     19.225      25.6557     
1 1 1 5  22 19 o 72.7439 3.06225 9.76681      1.13642   10.2137      1.16253   68.8401     139.578     17.6622     139.578     
1 1 1 5  22 20 o 41.8753 3.59678 3.57215      0.761735  3.19999      0.765058  38.7789     220.006     12.2167     220.006     
1 1 1 5  22 21 o 147.804 2.91506 41.9866      2.22497   40.3893      2.23651   140.653     89.816      34.2403     89.816      
1 1 1 5  22 22 o 29.8287 4.22733 2.21716      0.652054  1.38759      0.610915  10.8643     264.576     24.9465     84.5761     
1 1 1 5  22 23 o 22.9689 4.2307  1.24832      0.465854  0.859308     0.57226   16.3041     284.572     4.67744     284.572     
1 1 1 5  22 24 o 67.9359 2.62269 8.82763      0.957877  8.56838      0.881558  70.9233     346.931     30.9107     346.931     
1 1 1 5  22 25 o 30.9174 3.33329 1.66193      0.541428  2.07332      0.477462  23.1821     45.2061     1.26944     225.206     
1 1 1 5  22 26 o 51.2708 2.68196 5.41743      0.714078  4.5778       0.698413  36.5559     91.746      9.87173     271.746     
1 1 1 5  22 27 o 59.7968 2.53653 7.40395      0.786993  6.15978      0.773943  55.2373     26.7049     13.913      26.7049     
1 1 1 5  22 28 o 16.7529 3.36394 1.04301      0.386236  -0.106196    0.374772  5.77579     100.08      0.568593    100.081     
1 1 1 5  22 29 o 23.9419 3.74829 1.32574      0.465547  1.01221      0.442193  15.7751     226.301     2.8024      46.3008     
1 1 1 5  22 30 o 41.6088 3.07741 2.89718      0.661032  3.87399      0.625138  34.9148     25.243      4.68879     25.243      
1 1 1 5  22 31 o 36.8144 3.33226 2.81496      0.60463   2.5495       0.633753  23.4798     160.733     10.4233     340.733     
1 1 1 5  22 32 o 13.3055 3.79782 0.216248     0.414688  0.197828     0.393602  1.89805     243.423     20.5999     243.423     
1 1 1 5  22 33 o 16.2407 3.83894 0.878561     0.439187  0.0465919    0.411137  7.54646     151.307     1.16482     331.307     
1 1 1 5  22 34 o 14.1294 3.77003 -0.450874    0.450393  0.712513     0.454571  4.5008      305.457     6.28592     125.457     
1 1 1 5  22 35 o 14.3947 4.06081 0.323233     0.487256  0.288165     0.425402  0.633678    262.277     17.8753     82.2768     
1 1 1 5  22 36 o 30.5675 3.72318 1.88164      0.570559  2.05111      0.565851  27.0107     331.019     8.8054      331.019     
1 1 1 5  22 37 o 29.0631 3.94786 2.28258      0.599527  1.42168      0.545978  21.3678     275.991     0.531448    95.9914     
1 1 1 5  22 38 o 53.5263 2.94823 4.74482      0.788803  6.89072      0.811996  44.3546     251.963     6.05232     251.963     
1 1 1 5  22 39 f 13.7481 3.61534 0.99205      0.523041  -1.00941     0.387076  13.2382     216.604     0           0           
1 1 1 5  22 40 o 16.4905 4.4008  1.05331      0.596807  -0.0418022   0.537733  4.73446     150.596     1.03628     150.596     
1 1 1 5  22 41 o 14.648  4.26378 0.532604     0.507241  0.131109     0.56804   4.71241     297.662     1.83055     117.662     
1 1 1 5  22 42 o 16.0919 4.34632 0.803702     0.535744  0.329079     0.496327  5.49172     127.547     1.10612     127.547     
1 1 1 5  22 43 o 11.9383 3.74874 0.254818     0.4784    -0.232569    0.472482  0.72483     226.79      2.37162     46.7896     
1 1 1 5  22 44 o 10.5871 3.51547 0.047712     0.524248  -0.670386    0.466632  0.292503    329.125     3.016       329.125     
1 1 1 5  22 45 o 15.7826 4.11507 1.12555      0.546343  -0.27764     0.519663  5.02727     281.428     5.47106     101.428     
1 1 1 5  22 46 o 15.3729 4.35565 0.316651     0.527762  0.740496     0.546767  4.60597     99.5373     6.85066     279.537     
1 1 1 5  22 47 o 26.7776 5.44007 2.34417      0.811882  1.97719      0.78253   18.1652     165.429     0.221164    165.429     
1 1 1 5  22 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  23 0  o 51.57   2.44182 4.96508      0.645922  4.96508      0.645922  56.2223     90          24.7347     90          
1 1 1 5  23 1  o 75.1638 2.5524  9.43911      0.953984  11.6173      1.02722   70.5848     209.245     17.1452     209.245     
1 1 1 5  23 2  o 34.5551 3.80418 2.22885      0.565949  2.36093      0.743846  9.7163      27.6319     33.8675     207.632     
1 1 1 5  23 3  o 60.0162 3.99575 6.96644      0.841094  6.7291       1.49072   44.288      80.2126     9.40581     260.213     
1 1 1 5  23 4  o 64.2576 3.19104 7.80234      0.908277  7.69322      1.18128   57.7621     122.624     10.8773     122.624     
1 1 1 5  23 5  o 50.663  3.18628 5.28292      0.752283  4.39754      0.878098  35.936      55.0421     9.40572     235.042     
1 1 1 5  23 6  o 87.656  2.63448 15.6567      1.1966    13.0001      1.18494   64.8723     325.616     16.9749     145.616     
1 1 1 5  23 7  o 101.025 2.74367 19.3879      1.51304   18.6463      1.35325   101.849     75.8847     34.8502     75.8847     
1 1 1 5  23 8  o 15.9257 4.21597 0.781443     0.590615  -0.12496     0.414977  1.2364      172.25      8.85668     172.25      
1 1 1 5  23 9  o 41.2085 3.68802 3.14554      0.855556  3.35236      0.6583    31.5687     184.742     23.6274     184.742     
1 1 1 5  23 10 o 55.1351 3.50756 6.56062      1.07152   5.02591      0.913352  37.499      185.397     14.8323     5.39742     
1 1 1 5  23 11 o 60.6939 2.97417 6.84951      0.862651  6.99711      0.993327  53.6396     245.054     8.47579     245.054     
1 1 1 5  23 12 o 40.1742 3.21015 3.55217      0.65154   2.62028      0.647688  32.5204     323.283     3.17441     323.283     
1 1 1 5  23 13 o 48.0093 2.9973  4.5655       0.729999  4.14811      0.744086  30.3865     147.436     16.9235     327.436     
1 1 1 5  23 14 o 30.7346 4.06985 2.33743      0.573421  1.42033      0.654489  19.1455     167.266     7.40722     347.266     
1 1 1 5  23 15 o 57.8132 2.94696 7.73667      0.866781  5.02398      0.855536  41.1728     29.7034     12.4259     209.703     
1 1 1 5  23 16 o 49.7944 3.3509  4.48154      0.751893  5.00423      0.952928  32.5946     188.728     15.7624     8.72758     
1 1 1 5  23 17 o 26.8488 4.42585 0.97972      0.607077  1.96635      0.629176  17.2773     55.3882     3.94443     235.388     
1 1 1 5  23 18 o 51.7262 3.31842 4.97471      0.872019  5.27629      0.887922  56.0468     37.6222     29.9248     37.6222     
1 1 1 5  23 19 o 43.8947 3.80671 4.31673      0.891653  3.23347      0.80032   27.3744     246.927     16.0692     66.9265     
1 1 1 5  23 20 o 46.1759 3.54034 4.19731      0.831949  4.05026      0.835409  38.3936     35.2061     2.54953     35.2061     
1 1 1 5  23 21 o 25.6413 4.51716 1.05598      0.593084  1.64362      0.616765  14.3852     13.4239     9.69525     193.424     
1 1 1 5  23 22 o 53.9941 3.2875  5.03154      0.848697  6.21213      0.974939  40.9872     342.967     5.53005     162.967     
1 1 1 5  23 23 o 83.9745 3.29968 12.8344      1.31552   14.2994      1.54523   77.3471     67.8124     17.5449     67.8124     
1 1 1 5  23 24 o 38.0844 3.85255 2.7823       0.752643  2.98077      0.722415  17.2565     193.854     26.1249     13.8539     
1 1 1 5  23 25 o 36.6673 2.97183 2.62788      0.521922  2.56965      0.583861  24.8231     145.385     7.96587     325.385     
1 1 1 5  23 26 o 23.7922 3.8765  1.22524      0.527783  1.08789      0.409188  14.2031     170.521     6.05082     350.521     
1 1 1 5  23 27 f 25.1906 3.54392 1.52559      0.457649  1.04815      0.43542   16.0477     133.22      0           0           
1 1 1 5  23 28 o 20.5277 4.03996 1.04403      0.438404  0.691353     0.46898   13.1997     62.4888     1.03362     62.4889     
1 1 1 5  23 29 o 35.9633 3.1976  2.62108      0.610756  2.47707      0.554807  28.489      87.4951     1.72791     87.4951     
1 1 1 5  23 30 o 41.2642 3.31557 3.34541      0.706079  3.40938      0.686621  37.2601     32.4041     10.8238     32.4041     
1 1 1 5  23 31 o 82.3353 2.56335 13.8831      1.09943   12.2058      1.0807    71.1405     163.033     11.2938     163.033     
1 1 1 5  23 32 o 20.5016 4.06873 1.12078      0.469105  0.679924     0.446851  14.1204     313.898     1.22693     313.898     
1 1 1 5  23 33 o 49.1822 2.82619 4.88658      0.717254  4.63072      0.711057  45.9069     143.425     15.4878     143.425     
1 1 1 5  23 34 o 15.7732 4.04769 0.269699     0.450266  0.659876     0.432675  7.07484     30.1656     5.2473      210.166     
1 1 1 5  23 35 o 23.2992 4.57952 1.44146      0.559325  1.06073      0.604147  17.8617     295.577     3.48751     295.577     
1 1 1 5  23 36 o 15.6026 4.25368 0.713801     0.531445  0.178047     0.468554  7.00838     16.235      2.72881     196.235     
1 1 1 5  23 37 o 18.6798 4.42572 0.734496     0.51478   0.870376     0.498434  10.2244     154.781     2.75907     334.781     
1 1 1 5  23 38 o 16.3577 4.24065 0.842716     0.502659  0.270451     0.479406  7.15277     88.3327     0.611995    268.333     
1 1 1 5  23 39 o 18.2678 4.47425 0.775105     0.519343  0.816436     0.513894  8.95799     149.605     4.87688     329.605     
1 1 1 5  23 40 o 19.5368 4.71237 0.881496     0.627594  1.03709      0.53369   10.5052     328.293     5.12916     328.293     
1 1 1 5  23 41 o 20.3095 4.89992 0.971656     0.627509  1.223        0.618489  11.7136     162.635     4.88071     162.635     
1 1 1 5  23 42 o 12.0735 3.59135 0.679019     0.495813  -1.14725     0.445924  0.365712    164.428     1.59802     344.428     
1 1 1 5  23 43 o 14.6146 4.31837 0.453654     0.560658  0.341444     0.532449  1.02891     258.348     0.621784    78.3478     
1 1 1 5  23 44 o 28.2658 4.40718 2.64302      0.64966   1.42896      0.631349  22.7672     332.569     8.07772     332.569     
1 1 1 5  23 45 o 13.5481 4.09018 -0.0327206   0.530309  0.547898     0.524116  2.70025     251.548     2.24101     71.5478     
1 1 1 5  23 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  24 0  o 66.803  2.30846 8.2919       0.795001  8.2919       0.795001  64.2081     270         15.6577     270         
1 1 1 5  24 1  o 28.5271 3.6346  1.92063      0.446874  1.26672      0.560653  13.5656     146.826     14.5957     326.826     
1 1 1 5  24 2  o 78.3172 3.075   11.6564      1.32908   11.4364      1.15236   47.886      224.537     34.4031     44.5372     
1 1 1 5  24 3  o 14.9619 3.75709 -0.054761    0.397769  0.652797     0.410637  1.18873     271.236     12.4448     271.236     
1 1 1 5  24 4  o 29.6452 3.8943  2.5717       0.547315  0.997774     0.580064  21.97       59.5102     9.30276     59.5102     
1 1 1 5  24 5  o 16.3466 4.05809 0.526104     0.412539  0.386206     0.444278  0.655375    164.548     2.77161     344.548     
1 1 1 5  24 6  o 49.4459 3.04276 3.87968      0.728687  5.43512      0.809328  29.1884     29.0117     21.9506     209.012     
1 1 1 5  24 7  o 10.1127 3.23945 -0.273666    0.343824  -0.109413    0.387431  4.93474     249.211     14.5759     249.211     
1 1 1 5  24 8  o 56.9856 2.84938 6.08509      0.829328  6.15099      0.843169  36.7567     12.1734     19.8444     192.173     
1 1 1 5  24 9  o 72.9323 2.88703 10.8036      1.15      9.26273      1.02537   72.965      242.319     26.3247     242.319     
1 1 1 5  24 10 o 11.1837 3.62892 -0.304349    0.46684   -0.310169    0.489407  2.29918     94.3523     9.05429     94.3523     
1 1 1 5  24 11 o 21.7248 3.928   1.47716      0.478978  0.365005     0.500037  9.78188     57.8618     2.34873     57.8618     
1 1 1 5  24 12 o 45.0626 3.45795 4.08011      0.784645  3.73747      0.802225  30.0911     241.363     12.3527     61.3632     
1 1 1 5  24 13 o 44.2448 3.89733 3.43979      0.854013  4.21986      0.889837  25.6061     119.979     20.1371     299.979     
1 1 1 5  24 14 o 27.9724 4.44021 1.76733      0.555004  1.39069      0.704611  18.5137     223.139     4.55078     43.1389     
1 1 1 5  24 15 o 14.9184 4.52399 0.0836869    0.414653  0.123217     0.814645  1.78263     119.182     1.9754      299.182     
1 1 1 5  24 16 o 58.9042 3.8478  5.88674      0.970543  7.66783      1.35441   50.2974     354.876     4.82811     354.876     
1 1 1 5  24 17 o 20.3627 4.32991 1.5578       0.621555  -0.343078    0.639403  5.7216      60.5729     18.1229     240.573     
1 1 1 5  24 18 o 29.0581 4.83497 2.07939      0.650915  1.40035      0.801084  13.9141     30.7916     17.0362     210.792     
1 1 1 5  24 19 o 13.392  3.95654 -0.297384    0.46581   0.364425     0.499314  1.49222     61.453      9.50175     241.453     
1 1 1 5  24 20 o 55.7188 3.43204 7.25145      1.10985   4.90811      0.857781  51.7195     149.108     14.0982     149.108     
1 1 1 5  24 21 o 59.2183 3.57883 7.88737      1.17514   5.88838      1.00166   54.1414     137.087     13.2578     137.087     
1 1 1 5  24 22 o 36.9244 5.0608  2.91784      1.05998   2.83303      0.797131  29.3608     306.662     1.76374     306.662     
1 1 1 5  24 23 o 20.4879 5.05117 1.43241      0.830109  0.285865     0.536195  10.8326     85.4571     5.38767     265.457     
1 1 1 5  24 24 o 16.7824 4.62961 0.862837     0.703981  -0.0368797   0.501669  4.75922     170.34      11.5495     350.341     
1 1 1 5  24 25 o 34.3352 4.14944 2.69705      0.752368  2.15663      0.672262  28.7234     329.137     5.52176     329.137     
1 1 1 5  24 26 o 38.4275 3.61158 3.22769      0.654144  2.68861      0.729624  32.0767     213.845     5.05906     213.845     
1 1 1 5  24 27 o 55.2834 2.802   6.16575      0.779624  5.64905      0.812107  43.1925     68.1581     0.956356    248.158     
1 1 1 5  24 28 o 38.0766 3.00684 3.26117      0.592062  2.4666       0.567031  29.7638     126.633     0.841408    126.633     
1 1 1 5  24 29 o 49.1552 3.10081 4.20998      0.780402  5.36707      0.770038  44.2006     171.618     11.8618     171.618     
1 1 1 5  24 30 o 31.614  3.65375 1.74293      0.557497  2.40875      0.593078  28.3022     197.635     9.77768     197.635     
1 1 1 5  24 31 o 13.4998 3.75679 0.474072     0.419682  0.0170862    0.380284  4.3509      268.939     4.79917     88.9392     
1 1 1 5  24 32 o 18.7162 4.19759 0.662112     0.469658  0.866379     0.452267  10.002      43.9816     5.36519     223.982     
1 1 1 5  24 33 o 28.0072 3.80272 1.53732      0.536348  1.8391       0.526085  17.8215     109.312     5.8854      289.312     
1 1 1 5  24 34 o 13.8011 3.96517 0.196334     0.452366  0.35286      0.440358  1.21233     169.018     14.6943     349.018     
1 1 1 5  24 35 o 25.9577 4.33433 1.9568       0.597663  1.18751      0.566652  18.4413     57.7856     0.422364    57.7857     
1 1 1 5  24 36 o 42.3513 3.63017 2.9858       0.747023  4.80806      0.768569  40.0615     309.861     17.3742     309.861     
1 1 1 5  24 37 o 15.6352 4.28772 0.421883     0.522812  0.575364     0.478227  6.33231     226.02      3.06946     46.0202     
1 1 1 5  24 38 o 11.4414 3.63522 0.065235     0.463464  -0.122804    0.43779   0.796327    266.792     2.09648     86.7922     
1 1 1 5  24 39 o 13.7285 3.98643 0.63635      0.50605   -0.120397    0.459095  2.99094     338.023     2.77018     158.023     
1 1 1 5  24 40 o 18.5627 4.48144 0.458826     0.573006  1.21671      0.543322  8.15856     103.641     1.83728     103.641     
1 1 1 5  24 41 o 15.9485 4.42789 0.340351     0.590698  0.754276     0.51899   4.88247     213.325     4.9474      33.3247     
1 1 1 5  24 42 f 18.5786 5.02531 1.00767      0.678048  0.907218     0.673493  9.23078     40.9402     0           0           
1 1 1 5  24 43 o 19.2692 4.36516 0.288953     0.584234  1.56844      0.570265  11.0512     247.921     0.397138    247.92      
1 1 1 5  24 44 o 13.9576 4.15165 0.0625416    0.534935  0.583892     0.521155  3.23519     104.82      1.02376     284.82      
1 1 1 5  24 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  25 0  o 4.95648 2.40089 -0.127613    0.196586  -0.127613    0.196586  8.0584      270         17.653      270         
1 1 1 5  25 1  o 16.4614 3.95272 0.614073     0.412079  0.362426     0.40306   3.65171     194.55      9.90448     14.5495     
1 1 1 5  25 2  o 58.1965 2.88016 6.62834      0.888444  6.19242      0.838511  50.4045     139.178     6.32141     139.178     
1 1 1 5  25 3  o 67.6365 2.92029 8.60578      1.01313   8.70344      1.02483   58.5507     220.362     6.51129     220.362     
1 1 1 5  25 4  o 18.8311 4.19654 0.492426     0.457937  0.871171     0.474079  6.68495     30.7044     10.1446     210.704     
1 1 1 5  25 5  o 32.9985 3.93223 2.47468      0.681109  1.84498      0.615061  15.9494     164.278     19.9194     344.278     
1 1 1 5  25 6  o 19.8537 4.18072 1.34065      0.559518  0.127865     0.488381  9.03445     195.31      7.37574     15.3101     
1 1 1 5  25 7  o 43.3918 3.37953 4.39059      0.711362  2.92537      0.743979  41.9362     252.225     15.6384     252.225     
1 1 1 5  25 8  o 29.5934 4.12937 1.59759      0.547334  1.91025      0.675422  12.0619     209.151     22.0037     29.1508     
1 1 1 5  25 9  o 28.873  4.38534 1.5271       0.652096  1.84484      0.621987  22.8293     159.377     2.90928     159.377     
1 1 1 5  25 10 o 41.9654 4.03226 2.31065      0.76596   4.83783      0.886704  29.9177     68.2347     7.15795     248.235     
1 1 1 5  25 11 o 24.9308 4.21523 0.896349     0.509672  1.65292      0.582037  20.2503     232.117     10.6222     232.117     
1 1 1 5  25 12 o 27.1669 4.14911 1.95456      0.54785   1.04876      0.597217  16.6055     255.891     7.7497      75.891      
1 1 1 5  25 13 o 64.2501 3.00387 7.68008      0.941234  8.05041      1.04735   65.3365     59.2454     26.9836     59.2454     
1 1 1 5  25 14 o 53.5319 3.18652 5.73872      0.831877  5.27148      0.912108  39.2736     145.956     7.72468     325.956     
1 1 1 5  25 15 o 70.6923 3.38528 10.1629      1.14637   9.13647      1.30081   63.6636     35.4984     12.9058     35.4984     
1 1 1 5  25 16 o 107.414 3.3718  23.0992      1.86837   21.4273      1.87452   100.82      114.575     26.7294     114.575     
1 1 1 5  25 17 f 14.5534 4.20778 0.371285     0.501109  -0.0167255   0.529813  6.3126      11.1594     0           0           
1 1 1 5  25 18 o 21.9992 4.35292 1.62272      0.587029  0.293828     0.580535  14.1963     158.176     1.07513     338.176     
1 1 1 5  25 19 o 45.9686 3.41797 4.11445      0.827388  4.16119      0.77547   40.2183     223.062     8.19915     223.062     
1 1 1 5  25 20 o 13.9498 4.15632 -0.0709809   0.492498  0.288952     0.54371   2.32525     132.515     3.01494     312.515     
1 1 1 5  25 21 o 32.0794 4.49397 2.37663      0.70559   1.92932      0.733922  21.4011     348.772     5.91702     168.772     
1 1 1 5  25 22 o 21.3037 4.23321 0.0950026    0.588631  1.63306      0.5737    8.05007     339.301     14.3357     159.301     
1 1 1 5  25 23 o 32.0889 4.19246 1.77118      0.662111  2.52094      0.675627  13.2972     347.986     22.8151     167.986     
1 1 1 5  25 24 o 20.692  4.6451  1.05785      0.563289  0.745139     0.567543  13.4323     3.82092     0.924904    3.82091     
1 1 1 5  25 25 f 16.4537 4.40873 0.174239     0.53696   0.701878     0.53476   16.8967     121.35      0           0           
1 1 1 5  25 26 o 14.9008 4.3163  0.294411     0.525775  0.250845     0.537168  3.69051     240.392     10.8409     60.392      
1 1 1 5  25 27 o 30.6486 4.4512  2.48925      0.676525  1.61964      0.691126  23.0227     36.5229     0.380535    36.5229     
1 1 1 5  25 28 o 7.72028 2.69689 -0.532881    0.289792  -0.847858    0.460716  3.00219     353.429     10.824      353.429     
1 1 1 5  25 29 o 23.6287 4.16807 1.41931      0.518538  1.04417      0.505492  16.2227     300.434     1.23406     120.434     
1 1 1 5  25 30 o 24.4818 3.84204 1.65941      0.484772  0.9634       0.475724  22.2509     97.0031     14.8389     97.0031     
1 1 1 5  25 31 o 21.8469 4.01875 0.571195     0.491863  1.56692      0.49731   11.9639     157.056     6.8735      337.056     
1 1 1 5  25 32 o 24.4844 4.09478 0.787527     0.524136  1.97633      0.551984  20.1817     253.171     8.0672      253.171     
1 1 1 5  25 33 o 43.9444 3.1882  4.20166      0.705171  3.80455      0.723093  32.9544     238.628     0.326432    58.6281     
1 1 1 5  25 34 o 19.6533 3.5881  1.83223      0.536501  -0.291314    0.468318  12.1026     169.8       0.398464    349.8       
1 1 1 5  25 35 o 24.7068 4.25297 2.17175      0.597971  0.79672      0.55797   18.543      339.88      3.75469     339.88      
1 1 1 5  25 36 o 13.0666 3.91714 -0.0610448   0.476494  0.408846     0.472728  2.73138     268.722     2.64889     88.7219     
1 1 1 5  25 37 o 14.4309 4.19407 -0.0153571   0.529007  0.654459     0.53106   0.394617    255.187     0.10669     75.1867     
1 1 1 5  25 38 o 17.7692 4.49541 0.462024     0.572916  1.05046      0.53399   7.04809     104.122     0.565126    104.122     
1 1 1 5  25 39 o 18.4068 4.56522 1.12018      0.557024  0.584839     0.557248  8.19605     234.287     0.306634    234.287     
1 1 1 5  25 40 o 16.9653 4.03215 -0.479127    0.568699  1.39118      0.550742  7.15312     228.333     2.94598     48.3327     
1 1 1 5  25 41 o 13.1524 4.11953 0.356479     0.566604  -0.0224756   0.558484  2.3748      293.551     4.8893      113.551     
1 1 1 5  25 42 o 31.1012 4.74863 1.96727      0.774625  3.17437      0.728847  23.6755     349.729     4.46135     349.729     
1 1 1 5  25 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  26 0  o 26.0566 3.87514 1.42544      0.460827  1.42544      0.460827  27.1652     270         15.0407     270         
1 1 1 5  26 1  o 21.8822 3.95106 1.38093      0.482395  0.559925     0.459473  15.3962     98.5931     4.11408     98.5931     
1 1 1 5  26 2  o 66.4993 3.08534 8.51093      0.952628  8.36779      1.14942   65.3867     70.211      23.4417     70.211      
1 1 1 5  26 3  o 66.3532 3.62771 7.81863      1.18954   9.27631      1.28594   58.9609     145.837     10.6463     145.837     
1 1 1 5  26 4  o 23.2482 4.21824 1.48616      0.526598  0.714004     0.532654  11.1216     121.511     11.7893     301.511     
1 1 1 5  26 5  o 48.4016 3.31443 3.88871      0.803842  5.19611      0.825571  39.7085     116.796     2.222       116.796     
1 1 1 5  26 6  o 54.4758 3.16891 5.34011      0.875833  6.0653       0.896156  35.266      54.5262     17.2559     234.526     
1 1 1 5  26 7  o 58.0968 3.12275 6.44674      0.929065  6.49769      0.937678  36.1313     150.868     21.5408     330.868     
1 1 1 5  26 8  o 52.3212 3.30487 4.78174      0.86872   5.81809      0.900502  39.7126     37.2442     4.35882     217.244     
1 1 1 5  26 9  o 32.0049 4.65112 2.7567       0.755677  1.53207      0.740805  20.538      136.208     8.01723     316.208     
1 1 1 5  26 10 o 25.3907 4.74055 0.864895     0.574109  1.88687      0.725259  15.4822     146.052     6.04777     326.052     
1 1 1 5  26 11 o 30.3466 4.26392 2.78684      0.659545  1.10359      0.640929  15.8303     91.7887     14.9428     271.789     
1 1 1 5  26 12 o 56.4394 3.30068 6.91297      0.950492  5.48086      0.951334  46.5314     271.255     2.99507     271.255     
1 1 1 5  26 13 o 37.3928 3.9309  3.46234      0.721296  2.20139      0.722705  29.1301     298.716     0.441971    298.716     
1 1 1 5  26 14 o 84.791  3.07894 14.7361      1.34141   12.9627      1.35059   84.7755     211.411     33.4223     211.411     
1 1 1 5  26 15 o 37.5635 4.35809 3.01472      0.808162  2.77096      0.82801   28.7511     131.841     0.376084    311.841     
1 1 1 5  26 16 o 50.7716 3.67827 5.79812      1.00363   4.46357      0.902378  46.6842     68.8379     13.7438     68.8379     
1 1 1 5  26 17 o 13.0894 3.91966 0.254752     0.475442  -0.136106    0.463125  0.456192    313.535     15.4707     313.535     
1 1 1 5  26 18 o 20.3915 4.64081 0.720411     0.577076  0.990753     0.548941  11.304      151.189     3.86799     331.189     
1 1 1 5  26 19 o 29.9165 4.54481 2.87044      0.704058  1.03237      0.713088  22.2753     300.517     0.359118    300.517     
1 1 1 5  26 20 o 38.7631 4.41904 4.52697      0.82576   1.96062      0.807791  28.957      146.071     1.61256     326.072     
1 1 1 5  26 21 o 81.6956 3.02205 13.7967      1.33891   12.2528      1.2127    62.4154     184.745     4.70169     4.745       
1 1 1 5  26 22 o 46.6529 3.43165 4.89872      0.807657  3.83999      0.813722  33.8403     257.456     4.93916     77.4561     
1 1 1 5  26 23 o 59.9602 3.12888 6.94938      0.959558  7.26347      0.971549  51.9009     256.786     10.0216     256.786     
1 1 1 5  26 24 o 41.5964 3.71796 3.03071      0.756264  4.12298      0.798986  35.4815     334.146     7.30711     334.146     
1 1 1 5  26 25 o 41.4299 3.75087 3.24015      0.765647  3.89432      0.805511  41.2135     194.208     19.863      194.208     
1 1 1 5  26 26 o 13.5212 4.07468 -0.288531    0.503538  0.433248     0.546746  4.01782     50.8382     6.54561     230.838     
1 1 1 5  26 27 o 24.0599 4.93799 1.3242       0.657485  1.41448      0.647375  17.5085     88.7624     1.36332     88.7624     
1 1 1 5  26 28 o 16.9259 4.54103 1.22395      0.682227  -0.591065    0.640064  8.49609     239.911     3.12267     59.9105     
1 1 1 5  26 29 f 27.8192 5.12126 2.11184      0.700926  1.67673      0.813523  17.3649     249.198     0           0           
1 1 1 5  26 30 o 16.1741 4.1323  0.745723     0.401644  0.161663     0.597523  6.97397     166.741     2.89572     346.741     
1 1 1 5  26 31 o 36.7668 3.41428 2.3716       0.627357  3.38211      0.615658  31.4359     302.353     8.99248     302.353     
1 1 1 5  26 32 f 11.3834 3.49531 -0.10201     0.416159  0.173511     0.367033  1.09051     208.436     0           0           
1 1 1 5  26 33 o 16.5212 4.22129 0.77948      0.489424  0.452287     0.447898  7.01451     89.5147     1.15166     89.5147     
1 1 1 5  26 34 o 20.1289 4.54646 1.16839      0.558256  0.864909     0.517919  12.6034     326.988     1.39842     326.988     
1 1 1 5  26 35 o 11.3692 3.61794 -0.0322406   0.47023   -0.0108852   0.424765  0.021626    350.855     0.173374    170.855     
1 1 1 5  26 36 o 10.2435 3.36666 -0.391973    0.463312  -0.0626204   0.413627  0.553839    113.057     3.72604     113.057     
1 1 1 5  26 37 o 13.6508 3.9966  -0.0364882   0.504877  0.539044     0.470479  1.74748     54.9861     8.54757     234.986     
1 1 1 5  26 38 f 11.0614 3.60112 -0.390278    0.48776   0.0807509    0.483055  6.25627     283.762     0           0           
1 1 1 5  26 39 o 14.2258 4.23385 0.132009     0.566425  0.564453     0.526552  3.5379      301.638     2.43284     121.638     
1 1 1 5  26 40 o 12.4203 3.96718 -0.236331    0.580001  0.261074     0.536199  1.98093     291.536     6.37657     111.536     
1 1 1 5  26 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  27 0  o 7.25497 3.35293 -0.0251815   0.310286  -0.0251815   0.310286  1.56816     270         4.39877     270         
1 1 1 5  27 1  o 20.3292 3.69509 0.265926     0.427999  1.39083      0.450865  10.4294     2.59051     6.76065     182.591     
1 1 1 5  27 2  f 31.9079 3.56095 1.87292      0.563838  2.17373      0.573289  30.8571     222.083     0           0           
1 1 1 5  27 3  o 36.2431 3.65344 3.63261      0.644195  1.73346      0.623157  33.0254     302.895     11.1869     302.895     
1 1 1 5  27 4  o 19.546  4.08468 1.13347      0.471505  0.36309      0.482748  10.5217     269.921     3.80721     89.9211     
1 1 1 5  27 5  o 47.4602 3.28577 4.00275      0.812686  4.78279      0.771375  41.5477     323.768     8.69972     323.768     
1 1 1 5  27 6  o 22.8994 4.49712 0.994703     0.577503  1.18964      0.534039  12.5262     48.2822     7.30823     228.282     
1 1 1 5  27 7  f 19.7803 4.50942 0.756455     0.543085  0.825557     0.510505  9.20858     194.053     0           0           
1 1 1 5  27 8  o 21.1697 4.14359 1.55485      0.559661  0.253824     0.503449  7.49152     287.177     4.26601     287.177     
1 1 1 5  27 9  o 21.1626 4.75607 0.38532      0.648935  1.36692      0.623939  13.4268     239.476     0.713039    239.476     
1 1 1 5  27 10 o 46.6505 4.13187 4.30488      0.922612  4.51455      1.03018   36.6441     52.4613     0.411302    52.4611     
1 1 1 5  27 11 f 39.1176 4.00151 3.80734      0.823958  2.45965      0.737014  21.9183     267.186     0           0           
1 1 1 5  27 12 o 38.1491 4.16964 2.83482      0.818388  3.12355      0.771999  29.2181     123.139     0.0081047   303.14      
1 1 1 5  27 13 o 28.8382 4.91068 1.96851      0.674678  1.61763      0.784636  19.6633     282.728     3.05995     102.728     
1 1 1 5  27 14 o 27.9914 4.72777 1.15962      0.618678  2.27509      0.758986  23.2221     41.7497     16.6948     41.7497     
1 1 1 5  27 15 o 30.1217 5.17694 2.4215       0.767193  1.59147      0.862846  22.8217     208.767     1.49578     208.767     
1 1 1 5  27 16 o 50.8543 3.52261 6.22565      0.933641  4.18934      0.876733  42.6083     203.723     6.01585     203.723     
1 1 1 5  27 17 o 29.9402 4.51208 2.50133      0.692754  1.40068      0.676032  19.6719     104.031     5.32019     284.031     
1 1 1 5  27 18 o 26.1245 4.8473  1.40776      0.650017  1.62242      0.680284  20.0795     109.719     3.20849     109.719     
1 1 1 5  27 19 o 37.9386 4.20056 2.4539       0.767706  3.65831      0.812996  29.3854     196.783     1.0245      196.783     
1 1 1 5  27 20 o 18.363  4.05326 1.35604      0.548923  -0.251203    0.530251  7.21806     11.8335     10.7781     191.834     
1 1 1 5  27 21 o 19.1252 4.70881 0.773716     0.566463  0.794156     0.578225  9.58045     330.636     6.59217     150.636     
1 1 1 5  27 22 o 33.0035 4.30967 2.62018      0.703328  2.12854      0.71309   17.7518     36.1108     14.4635     216.111     
1 1 1 5  27 23 f 30.857  4.32048 2.38501      0.655272  1.82491      0.67529   21.6457     318.424     0           0           
1 1 1 5  27 24 o 14.7285 4.26591 -0.000208623 0.528484  0.543743     0.543053  4.44111     359.55      0.308075    359.55      
1 1 1 5  27 25 o 17.0005 4.6326  0.914542     0.631555  0.184909     0.567166  6.11284     49.5861     9.7046      229.586     
1 1 1 5  27 26 o 15.1548 4.44276 0.454206     0.574049  0.222506     0.576358  5.09846     82.5878     6.46806     262.588     
1 1 1 5  27 27 o 8.92647 3.12292 -1.03058     0.56642   -0.950498    0.497735  1.48612     15.4317     6.92279     15.4317     
1 1 1 5  27 28 o 19.8852 5.08141 0.743806     0.627719  1.22505      0.724313  10.523      73.3459     4.02448     253.346     
1 1 1 5  27 29 o 16.517  4.64524 0.492634     0.576334  0.645992     0.615247  5.99078     301.008     0.763689    301.008     
1 1 1 5  27 30 o 11.2582 3.70915 -0.0102466   0.53262   -0.605629    0.548359  1.48329     230.592     14.5829     230.592     
1 1 1 5  27 31 o 22.7723 5.0994  1.23976      0.670221  1.52491      0.685083  15.3409     204.338     1.36823     204.338     
1 1 1 5  27 32 o 17.9318 4.31961 1.2853       0.539377  -0.0229608   0.634758  8.83203     250.775     1.83914     70.775      
1 1 1 5  27 33 o 15.0629 4.0416  0.34491      0.481895  0.59446      0.411064  3.68453     34.8968     2.18685     214.897     
1 1 1 5  27 34 o 14.5847 4.02785 0.703986     0.489854  0.143021     0.419843  2.32302     140.564     2.05847     320.564     
1 1 1 5  27 35 o 11.5985 3.66064 0.126827     0.475367  -0.0605015   0.419343  0.0919196   200.064     6.58754     20.0642     
1 1 1 5  27 36 o 10.6539 3.4685  0.0547037    0.470043  -0.30776     0.415376  0.0814526   28.4671     3.80025     28.4672     
1 1 1 5  27 37 o 22.6586 4.49145 1.92919      0.614543  0.819789     0.553022  16.3868     273.606     7.95251     273.606     
1 1 1 5  27 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  28 0  o 40.7738 5.09734 3.50891      0.976869  3.50891      0.976869  39.3678     270         13.5128     270         
1 1 1 5  28 1  o 27.07   4.0262  1.30712      0.578724  1.725        0.514559  20.5155     217.005     2.27068     217.005     
1 1 1 5  28 2  f 12.9695 3.6995  0.352034     0.394259  -0.0535258   0.401559  11.5756     127.639     0           0           
1 1 1 5  28 3  o 19.9961 4.30482 0.818288     0.485344  0.842017     0.487079  11.713      307.022     1.8167      127.022     
1 1 1 5  28 4  o 23.1419 4.48334 1.60486      0.630447  0.71028      0.511735  16.8611     191.154     3.37467     191.154     
1 1 1 5  28 5  o 23.2115 4.28109 1.33492      0.525803  0.939351     0.525018  14.9119     95.404      2.39251     275.404     
1 1 1 5  28 6  o 23.1014 4.42418 0.937384     0.539775  1.33451      0.555646  14.3234     95.3049     3.53676     275.305     
1 1 1 5  28 7  o 13.2045 3.8973  -0.0377012   0.452126  0.273343     0.450992  1.78272     86.9021     9.71835     266.902     
1 1 1 5  28 8  f 49.0112 3.33707 4.67395      0.856168  4.83016      0.816659  36.9095     74.8028     0           0           
1 1 1 5  28 9  o 50.2108 3.94116 5.51537      1.06565   4.77421      0.952422  42.6389     164.34      7.4321      164.34      
1 1 1 5  28 10 o 24.6914 4.15093 2.19711      0.612794  0.460097     0.553684  15.2288     122.647     5.10548     302.647     
1 1 1 5  28 11 o 23.336  4.209   0.429638     0.57042   1.88633      0.576387  16.7787     187.028     1.46384     187.028     
1 1 1 5  28 12 o 14.1814 4.08877 0.443185     0.492232  -0.0480669   0.488116  2.12706     75.4547     13.0283     255.455     
1 1 1 5  28 13 o 32.5626 4.282   2.24419      0.710129  2.25965      0.681895  27.472      97.8885     6.75666     97.8885     
1 1 1 5  28 14 o 34.9274 4.32417 3.16838      0.738526  2.07605      0.750143  30.771      240.224     9.5663      240.224     
1 1 1 5  28 15 o 20.0306 4.1394  1.68949      0.616447  -0.134269    0.519572  13.659      123.584     1.81743     123.584     
1 1 1 5  28 16 o 19.6967 4.59901 1.1117       0.575376  0.560519     0.545231  13.4813     39.073      4.41732     39.073      
1 1 1 5  28 17 o 29.7549 5.10807 2.26527      0.809264  1.84814      0.753078  22.3966     230.77      1.30809     230.77      
1 1 1 5  28 18 o 37.318  3.99984 3.13635      0.770976  2.80097      0.728065  39.1399     310.619     23.6927     310.619     
1 1 1 5  28 19 o 24.645  4.55887 0.654209     0.650661  2.13756      0.652455  21.1796     136.293     9.29046     136.293     
1 1 1 5  28 20 o 14.3383 4.22851 0.0660811    0.53163   0.401948     0.528062  4.56069     4.68105     7.15429     184.681     
1 1 1 5  28 21 o 43.2449 3.79139 4.71298      0.843519  3.28216      0.798832  33.692      101.74      2.09975     101.74      
1 1 1 5  28 22 o 18.0048 4.63345 1.06095      0.601895  0.294005     0.581686  5.30199     341.681     2.35763     341.681     
1 1 1 5  28 23 o 42.8476 3.8704  4.64274      0.831835  3.34082      0.822217  31.7065     19.9327     0.749424    199.933     
1 1 1 5  28 24 o 24.2616 4.90622 1.64078      0.660333  1.26263      0.644388  16.3775     57.5707     0.147822    57.5704     
1 1 1 5  28 25 o 22.4052 4.92201 0.810588     0.637879  1.71626      0.683381  15.6965     172.17      3.50373     172.17      
1 1 1 5  28 26 o 19.2362 4.80955 0.52005      0.592118  1.27601      0.650957  10.994      35.202      0.753958    215.202     
1 1 1 5  28 27 o 14.2229 4.34427 0.809314     0.680903  -1.0088      0.661042  3.58624     153.648     7.87539     333.648     
1 1 1 5  28 28 o 14.8991 4.50977 0.213504     0.644677  0.442926     0.605053  2.88976     167.378     11.5955     347.378     
1 1 1 5  28 29 o 15.1162 4.48997 0.00985364   0.634573  0.682302     0.608122  2.37466     152.685     0.453796    332.685     
1 1 1 5  28 30 o 18.2518 4.94493 0.516155     0.706605  1.12239      0.657221  7.28825     317.302     6.36539     137.302     
1 1 1 5  28 31 o 22.1738 4.66669 2.33697      0.744807  0.177026     0.669509  13.3812     9.48736     5.27035     9.48736     
1 1 1 5  28 32 o 25.5355 5.40215 1.23383      0.791886  2.5509       0.840964  17.0568     287.254     1.43535     287.254     
1 1 1 5  28 33 f 15.9085 4.59633 -0.746009    0.691065  1.28838      0.731385  7.67746     212.047     0           0           
1 1 1 5  28 34 o 17.0129 5.00788 0.735577     0.7168    0.768357     0.744788  3.1894      199.218     0.776659    199.218     
1 1 1 5  28 35 o 17.7349 4.57637 0.407177     0.530008  1.23457      0.613327  8.45606     331.114     2.21181     331.114     
1 1 1 5  28 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  29 0  o 31.8004 6.17931 2.42645      0.880665  2.42645      0.880665  36.8803     270         24.5363     270         
1 1 1 5  29 1  o 15.4222 4.41973 0.1568       0.669114  0.422552     0.462378  2.69544     303.297     14.6097     123.297     
1 1 1 5  29 2  o 10.7492 3.36109 -0.0429292   0.368342  -0.0661463   0.369497  4.18119     269.535     21.0204     269.535     
1 1 1 5  29 3  o 21.8176 4.30435 0.774297     0.508033  1.29062      0.523084  16.8334     76.3704     7.26399     76.3704     
1 1 1 5  29 4  o 29.293  4.06512 1.69079      0.590389  1.9434       0.599855  27.6973     356.728     14.3466     356.728     
1 1 1 5  29 5  o 21.5868 4.81591 1.12934      0.657257  0.945784     0.547781  5.54579     80.0799     20.1464     260.08      
1 1 1 5  29 6  o 22.825  4.5226  1.18285      0.547488  1.11528      0.566242  13.3368     185.157     5.5791      5.15705     
1 1 1 5  29 7  o 29.741  4.20717 1.57464      0.614916  2.2399       0.636947  22.7109     177.308     1.7907      177.308     
1 1 1 5  29 8  o 18.2427 4.73464 0.566629     0.635985  0.759514     0.551211  4.459       199.916     16.3846     19.9164     
1 1 1 5  29 9  o 15.2009 4.38184 0.737019     0.614913  -0.424865    0.588215  5.84939     22.5923     5.7978      202.592     
1 1 1 5  29 10 o 15.78   4.30249 0.651394     0.517173  0.168998     0.509876  7.53562     284.938     1.57284     104.938     
1 1 1 5  29 11 o 14.8591 4.21407 0.28467      0.489098  0.384495     0.500364  6.2688      21.654      2.6278      201.654     
1 1 1 5  29 12 o 37.6067 4.03178 3.77971      0.780473  2.33125      0.718465  32.2694     222.778     8.23974     222.778     
1 1 1 5  29 13 o 14.7335 4.21704 0.00811468   0.526563  0.540881     0.512914  6.14084     148.473     3.61821     328.473     
1 1 1 5  29 14 o 25.5818 4.94269 1.56838      0.656499  1.5156       0.692536  16.2664     168.791     4.05152     348.791     
1 1 1 5  29 15 o 10.8915 3.58065 -0.494597    0.475653  -0.116764    0.506375  0.8539      215.4       5.04812     35.4004     
1 1 1 5  29 16 f 23.6414 4.83401 1.92364      0.677552  0.712036     0.685119  18.3373     79.5385     0           0           
1 1 1 5  29 17 o 58.7401 3.4665  7.10495      1.08289   7.24314      1.00514   47.5133     193.766     5.63253     193.766     
1 1 1 5  29 18 o 19.3499 4.35963 1.44969      0.577132  0.0747651    0.592422  11.5653     286.803     0.00712875  106.8       
1 1 1 5  29 19 o 45.6605 3.69102 3.91297      0.835214  5.0274       0.870535  39.8955     203.139     11.8847     203.139     
1 1 1 5  29 20 o 31.0472 4.4765  3.16985      0.714001  1.42525      0.693553  26.0841     283.592     8.60598     283.592     
1 1 1 5  29 21 f 19.6338 4.45995 1.55351      0.609144  0.115762     0.607208  10.5685     40.8692     0           0           
1 1 1 5  29 22 o 20.9273 4.80701 1.46508      0.629935  0.697373     0.622134  12.6725     50.0819     6.44568     50.0819     
1 1 1 5  29 23 o 15.4958 4.50552 0.410449     0.595753  0.469478     0.568853  4.98205     357.793     0.217306    177.793     
1 1 1 5  29 24 o 22.5278 4.88656 1.93829      0.693181  0.660855     0.686796  13.7476     266.745     2.23449     86.7446     
1 1 1 5  29 25 o 19.0868 4.88438 0.858336     0.60945   1.01243      0.634034  10.2392     271.604     2.4599      271.604     
1 1 1 5  29 26 o 14.8905 4.47036 -0.181168    0.696283  0.663479     0.596752  3.90621     279.104     3.67226     99.1044     
1 1 1 5  29 27 o 8.9157  3.11492 -0.887148    0.465189  -0.802182    0.56379   0.540758    265.772     2.06293     265.772     
1 1 1 5  29 28 o 16.9708 4.67478 1.07977      0.634033  0.15724      0.640672  4.76489     71.3587     9.32469     251.359     
1 1 1 5  29 29 o 14.5979 4.41248 -0.00680465  0.608031  0.614695     0.612651  3.15378     127.761     5.87799     307.761     
1 1 1 5  29 30 o 16.1079 4.47019 1.14289      0.629807  -0.25608     0.624406  5.57016     89.8965     1.95668     269.897     
1 1 1 5  29 31 o 15.6743 4.64234 0.75368      0.646229  0.296334     0.641791  4.63468     127.052     0.750503    307.052     
1 1 1 5  29 32 o 11.4847 3.84918 -0.107527    0.617554  -0.54169     0.617055  0.684942    30.0184     2.37761     210.018     
1 1 1 5  29 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  30 0  o 50.7281 4.60001 5.3875       1.15513   5.3875       1.15513   50.7008     90          22.6475     90          
1 1 1 5  30 1  o 48.833  4.51188 5.06562      1.11437   5.47948      1.11278   43.0641     191.163     12.3051     191.163     
1 1 1 5  30 2  o 20.2307 4.1935  1.0347       0.465582  0.778529     0.479633  6.03587     77.4731     16.6019     257.473     
1 1 1 5  30 3  o 28.6671 4.12841 1.51391      0.582974  2.0974       0.603058  16.3996     209.385     9.33385     29.3851     
1 1 1 5  30 4  o 41.8746 3.57234 4.64027      0.742682  2.74259      0.724595  35.0324     185.953     7.18682     185.953     
1 1 1 5  30 5  o 13.9925 4.08224 0.165891     0.478134  0.330194     0.484635  3.67238     241.607     8.53115     61.6066     
1 1 1 5  30 6  f 10.956  3.61704 -0.101181    0.573278  -0.442874    0.41284   3.16558     47.7641     0           0           
1 1 1 5  30 7  o 17.3433 4.46963 0.519276     0.526944  0.739116     0.523309  9.32104     330.735     1.14921     330.735     
1 1 1 5  30 8  o 31.3136 4.2229  2.44786      0.659     1.89749      0.658958  22.9105     358.522     0.250091    358.522     
1 1 1 5  30 9  o 24.2087 4.5504  2.51765      0.740997  0.1297       0.708656  13.1299     117.703     7.87099     297.703     
1 1 1 5  30 10 o 15.0313 4.28985 0.277042     0.524882  0.452052     0.51179   1.90206     255.525     0.0907539   255.525     
1 1 1 5  30 11 o 17.5617 4.47179 0.967314     0.549568  0.314006     0.543995  6.12577     184.502     10.2041     4.50155     
1 1 1 5  30 12 o 35.4179 4.06599 2.35468      0.701731  3.19517      0.730855  33.2409     182.178     16.0096     182.178     
1 1 1 5  30 13 o 16.0306 4.26978 -0.0606304   0.529773  0.91442      0.54262   5.52448     323.89      7.12124     143.89      
1 1 1 5  30 14 o 25.9531 4.98862 2.24605      0.691474  1.08062      0.80197   18.2606     136.232     1.23367     136.232     
1 1 1 5  30 15 o 13.9776 4.2648  0.490992     0.581565  -0.31944     0.609986  1.69024     312.028     0.763284    132.028     
1 1 1 5  30 16 o 15.7606 4.52356 0.392736     0.590079  0.525235     0.567711  5.08503     293.292     7.68391     113.292     
1 1 1 5  30 17 o 22.056  4.81337 1.53502      0.627028  0.886716     0.622249  10.6076     13.3825     8.65973     193.382     
1 1 1 5  30 18 o 13.5825 3.95089 0.752925     0.545076  -0.774856    0.516756  2.59393     308.167     9.07841     128.167     
1 1 1 5  30 19 o 9.40473 3.20941 -0.41129     0.474652  -0.695579    0.467165  0.486532    347.902     4.14553     347.902     
1 1 1 5  30 20 o 24.9315 4.98433 1.5222       0.675497  1.6907       0.672066  15.9847     128.391     1.61576     308.391     
1 1 1 5  30 21 o 9.90034 3.34126 -0.180991    0.486838  -0.784421    0.485135  2.39915     316.893     12.3283     316.893     
1 1 1 5  30 22 o 19.0641 4.88564 1.10967      0.632289  0.750667     0.625515  4.43585     284.766     1.82856     284.766     
1 1 1 5  30 23 o 17.2528 4.70825 0.428799     0.605527  0.96622      0.61857   4.20988     117.536     0.326817    117.536     
1 1 1 5  30 24 o 22.4835 5.05667 1.12254      0.665642  1.61949      0.680208  12.3009     29.3467     3.14443     209.347     
1 1 1 5  30 25 o 11.4134 3.80803 0.0523073    0.631394  -0.748125    0.544067  0.385178    110.224     7.24532     110.224     
1 1 1 5  30 26 o 14.4508 4.49206 0.740992     0.706925  -0.451977    0.672949  3.11717     74.3594     5.52168     254.359     
1 1 1 5  30 27 o 22.8464 5.05462 1.00646      0.673133  1.93697      0.714808  13.8028     217.549     0.993079    37.5489     
1 1 1 5  30 28 o 13.8327 4.27569 -0.155717    0.582822  0.580583     0.617138  2.66944     125.983     2.03181     305.983     
1 1 1 5  30 29 o 9.80748 3.36933 -1.0814      0.554413  -0.288493    0.542877  2.33283     46.8885     12.911      46.8885     
1 1 1 5  30 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  31 0  o 22.4356 7.03035 1.62919      0.861848  1.62919      0.861848  16.5706     270         9.62566     270         
1 1 1 5  31 1  o 31.2221 5.74065 2.71275      0.945732  2.42084      0.931777  25.0283     142.581     6.69519     142.581     
1 1 1 5  31 2  o 13.8355 4.16256 0.737884     0.684598  -0.15074     0.340552  2.84689     47.0755     2.26862     227.076     
1 1 1 5  31 3  o 15.9088 4.20512 0.653826     0.468706  0.367582     0.479299  5.65859     103.468     6.37083     283.468     
1 1 1 5  31 4  o 31.7583 4.10155 1.91056      0.634923  2.61906      0.661686  24.5426     21.9346     3.90895     21.9346     
1 1 1 5  31 5  o 13.7161 3.88775 -0.342197    0.463893  0.662022     0.484255  2.26362     45.8513     10.1139     225.851     
1 1 1 5  31 6  o 14.7381 4.24934 0.296956     0.508959  0.423534     0.516748  4.13478     97.8862     1.58988     277.886     
1 1 1 5  31 7  o 17.5525 4.67432 1.12368      0.667825  0.242583     0.535088  8.01154     259.314     4.17516     79.3145     
1 1 1 5  31 8  o 40.7867 3.77618 4.13725      0.775186  3.12573      0.765945  39.9375     94.39       21.256      94.39       
1 1 1 5  31 9  o 22.6973 5.331   1.07293      0.731941  1.64371      0.757051  16.2128     11.2136     7.00735     11.2136     
1 1 1 5  31 10 o 22.5211 4.64308 1.7242       0.611629  0.75566      0.620537  16.0589     146.454     4.17945     146.454     
1 1 1 5  31 11 o 14.7502 4.31535 0.133283     0.530985  0.548317     0.561146  4.82437     212.72      2.70364     32.7201     
1 1 1 5  31 12 o 12.8556 4.01314 0.11991      0.511452  0.0392544    0.537669  2.23271     219.522     7.09014     39.5218     
1 1 1 5  31 13 o 17.3839 4.5794  1.04568      0.559574  0.114796     0.68733   7.40872     202.739     5.97659     22.7393     
1 1 1 5  31 14 o 14.5245 4.47565 0.274745     0.602894  0.225852     0.664323  3.99348     171.274     6.00161     351.274     
1 1 1 5  31 15 o 16.689  4.58783 1.0163       0.628318  0.156162     0.574097  6.91691     336.232     1.49142     156.232     
1 1 1 5  31 16 o 32.7178 4.53942 2.44477      0.741761  2.71225      0.742573  29.3516     340.939     14.5734     340.939     
1 1 1 5  31 17 o 12.3064 3.92579 -0.0682734   0.514377  0.0568442    0.546475  0.736951    24.2127     3.37365     204.213     
1 1 1 5  31 18 o 12.8375 3.95939 0.446579     0.525134  -0.389983    0.532753  0.435433    189.812     9.98056     9.81189     
1 1 1 5  31 19 f 40.7619 4.04423 3.53213      0.817721  4.11756      0.840721  18.8683     252.203     0           0           
1 1 1 5  31 20 o 16.2886 4.57029 0.77156      0.583521  0.38595      0.585894  4.08134     317.009     1.05954     137.009     
1 1 1 5  31 21 o 14.7141 4.42812 0.371671     0.590616  0.354667     0.593037  3.21213     210.418     3.80765     30.418      
1 1 1 5  31 22 o 20.786  4.96644 1.69399      0.695097  0.646647     0.669135  8.55394     100.499     4.25039     100.499     
1 1 1 5  31 23 o 15.4436 4.60225 0.532692     0.61776   0.436569     0.642282  4.45805     101.023     1.82359     281.023     
1 1 1 5  31 24 o 16.9562 4.77962 0.709373     0.643051  0.752106     0.621615  6.66809     168.38      5.06697     348.38      
1 1 1 5  31 25 o 15.735  4.72526 0.84717      0.732499  0.211176     0.620318  5.1847      198.775     6.46893     18.775      
1 1 1 5  31 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  31 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  32 0  o 15.5567 6.16706 0.862095     0.74876   0.862095     0.74876   1.06208     90          0.0786568   90          
1 1 1 5  32 1  o 21.3029 5.57323 1.55444      0.833006  0.992474     0.824911  13.3475     133.566     3.86354     133.566     
1 1 1 5  32 2  o 13.9644 4.47985 0.0586224    0.691573  0.0407409    0.713684  2.34344     70.5283     1.71912     250.528     
1 1 1 5  32 3  o 17.6152 4.40897 0.464767     0.540204  0.961393     0.509084  7.60762     145.043     5.1311      325.043     
1 1 1 5  32 4  o 15.1264 4.15954 0.190056     0.482912  0.687368     0.488451  3.1894      122.91      0.490458    302.91      
1 1 1 5  32 5  o 23.7921 4.79214 1.58603      0.614404  1.29046      0.633792  17.3691     255.47      6.2092      255.47      
1 1 1 5  32 6  o 16.2537 4.36674 0.896485     0.54655   0.204603     0.523882  6.12049     180.23      3.24523     0.229528    
1 1 1 5  32 7  o 12.777  3.87629 0.495028     0.503726  -0.425125    0.495502  0.928183    258.455     1.80171     78.4555     
1 1 1 5  32 8  o 23.7539 5.16113 2.08901      0.788025  0.995492     0.648665  16.7067     172.804     6.5705      172.804     
1 1 1 5  32 9  f 17.3328 4.73008 1.32973      0.703004  -0.275752    0.695947  10.3078     239.112     0           0           
1 1 1 5  32 10 o 37.9715 4.19143 2.94165      0.774932  3.76604      0.814733  37.3286     64.9984     23.4885     64.9984     
1 1 1 5  32 11 o 26.849  4.86894 2.11582      0.695544  1.58699      0.676471  19.0476     241.602     3.4802      241.602     
1 1 1 5  32 12 o 17.0885 4.65493 0.11424      0.567114  1.19416      0.674306  4.93182     84.8437     0.645014    264.844     
1 1 1 5  32 13 f 12.6323 4.04919 0.260709     0.564635  -0.502494    0.636931  4.25025     119.167     0           0           
1 1 1 5  32 14 o 16.6407 4.63623 1.10886      0.67088   0.0549914    0.582208  5.3553      186.931     5.63785     6.93072     
1 1 1 5  32 15 o 18.1603 4.59566 1.26326      0.601926  0.286131     0.597754  8.01498     145.13      1.79383     325.13      
1 1 1 5  32 16 o 11.4613 3.66885 -0.766944    0.49666   0.320793     0.511921  0.165608    261.851     3.69951     81.8508     
1 1 1 5  32 17 o 20.4315 4.41518 0.0479437    0.609379  1.95334      0.658023  12.0018     357.518     1.71676     357.518     
1 1 1 5  32 18 o 17.0676 4.74029 0.820552     0.610665  0.629283     0.621121  5.35146     204.106     0.72767     204.106     
1 1 1 5  32 19 o 14.3437 4.33234 0.583163     0.587213  0.0596501    0.579751  3.44948     175.78      2.40813     355.78      
1 1 1 5  32 20 o 17.1276 4.80878 0.955044     0.655327  0.527536     0.635452  5.42903     201.228     1.38349     201.228     
1 1 1 5  32 21 o 18.753  5.00837 1.00133      0.647898  0.954232     0.685412  9.75903     61.5669     3.07041     61.5669     
1 1 1 5  32 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  32 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  33 0  o 14.9444 6.16225 0.80715      0.79092   0.80715      0.79092   3.62387     89.9999     2.85763     270         
1 1 1 5  33 1  o 11.8212 3.96278 -0.500539    0.641591  -0.24065     0.660812  0.106537    359.656     7.35728     359.656     
1 1 1 5  33 2  o 13.4016 4.38435 -0.00333313  0.746957  -0.145685    0.688239  1.47463     299.709     4.01061     119.709     
1 1 1 5  33 3  o 17.5991 5.04022 1.38698      0.809198  -0.140734    0.763987  6.25909     301.417     6.28279     121.417     
1 1 1 5  33 4  o 10.8294 3.40655 -0.480609    0.404822  0.255745     0.415593  0.300815    152.9       4.27545     152.9       
1 1 1 5  33 5  o 9.856   3.30076 -0.276357    0.448202  -0.395889    0.451685  1.13682     253.313     6.07715     253.313     
1 1 1 5  33 6  o 24.7757 4.85376 1.95314      0.665604  1.27337      0.651426  16.9819     298.691     3.34243     298.691     
1 1 1 5  33 7  o 19.6523 4.94282 0.928891     0.627156  1.13957      0.642604  10.2674     339.231     0.405905    339.231     
1 1 1 5  33 8  o 12.0445 3.85308 -0.0228657   0.513768  0.00659019   0.516979  0.423803    42.1414     1.92162     222.141     
1 1 1 5  33 9  o 18.1766 4.95222 1.4323       0.735319  0.115216     0.723429  8.19415     292.416     2.319       112.416     
1 1 1 5  33 10 o 14.8978 4.66586 0.279148     0.548866  0.406091     0.881107  2.48056     43.6076     0.968992    223.608     
1 1 1 5  33 11 o 22.4983 5.35737 1.92734      0.710556  0.940727     1.01835   13.0436     168.57      1.68176     348.57      
1 1 1 5  33 12 o 15.5295 4.54822 0.0251353    0.645383  0.855833     0.624798  2.8979      204.406     0.087972    24.4057     
1 1 1 5  33 13 o 13.0514 4.16594 0.29931      0.632138  -0.148335    0.569472  2.2215      231.823     5.72699     51.8232     
1 1 1 5  33 14 o 14.7333 4.37379 -0.287473    0.599636  0.859647     0.628859  4.42412     232.639     5.17955     52.639      
1 1 1 5  33 15 f 24.8639 5.11418 1.4665       0.70694   1.99088      0.709614  12.3665     293.444     0           0           
1 1 1 5  33 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  33 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  34 0  o 9.37591 4.54962 -0.205963    0.71296   -0.205963    0.71296   0.889497    270         6.6958      270         
1 1 1 5  34 1  o 18.7299 5.39316 0.844038     0.829625  1.16718      0.826657  7.86669     355.16      3.03239     355.16      
1 1 1 5  34 2  o 10.9561 3.74328 -0.0340804   0.674052  -1.36078     0.620513  0.506027    5.05636     3.77967     185.056     
1 1 1 5  34 3  o 17.8935 4.96098 1.6079       0.793146  -0.288099    0.769344  8.70891     130.498     2.0217      310.498     
1 1 1 5  34 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  34 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  34 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  34 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  34 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 5  34 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  0  0  o 382.061 3.4379  267.759      6.8061    267.759      6.8061    308.392     180         136.647     8.27174e-06 
1 1 1 6  0  1  f 295.747 2.22359 160.408      3.40797   160.408      3.40797   182.017     90          0           0           
1 1 1 6  0  2  o 107.741 1.96432 21.322       1.0954    21.322       1.0954    64.1647     1.8212e-05  21.5192     1.8212e-05  
1 1 1 6  0  3  o 204.493 2.05487 76.7069      2.17719   76.7069      2.17719   216.053     90          29.162      90          
1 1 1 6  0  4  o 126.43  1.96591 29.3449      1.28698   29.3449      1.28698   90.2161     2.63785e-06 64.1795     180         
1 1 1 6  0  5  o 367.893 2.39979 248.205      4.57554   248.205      4.57554   377.371     270         30.4423     270         
1 1 1 6  0  6  o 614.939 3.13335 693.568      9.98669   693.568      9.98669   471.483     180         266.836     360         
1 1 1 6  0  7  o 144.302 1.99712 38.2145      1.49255   38.2145      1.49255   141.97      90          4.94534     90          
1 1 1 6  0  8  o 338.559 2.33858 210.185      4.10321   210.185      4.10321   344.163     180         23.4865     180         
1 1 1 6  0  9  o 45.7631 2.22707 3.89321      0.522457  3.89321      0.522457  21.9123     90          64.9525     90          
1 1 1 6  0  10 o 73.9943 2.06217 10.0826      0.788163  10.0826      0.788163  3.58988     180         8.19279     1.24575e-05 
1 1 1 6  0  11 o 36.0353 2.4672  2.44652      0.450273  2.44652      0.450273  31.1762     90          76.1565     90          
1 1 1 6  0  12 o 7.11838 3.26017 -0.0149245   0.284182  -0.0149245   0.284182  145.081     7.22464e-06 291.936     7.22464e-06 
1 1 1 6  0  13 o 95.3257 2.07104 16.7029      1.02117   16.7029      1.02117   51.4173     90          54.3049     270         
1 1 1 6  0  14 o 400.093 2.51627 293.493      5.21762   293.493      5.21762   464.981     180         151.078     180         
1 1 1 6  0  15 o 277.95  2.83252 141.711      4.07913   141.711      4.07913   358.117     90          176.169     90          
1 1 1 6  0  16 o 216.134 2.71912 85.7148      3.0442    85.7148      3.0442    180.065     180         58.9705     8.51328e-06 
1 1 1 6  0  17 o 351.761 2.7926  226.919      5.09054   226.919      5.09054   203.716     270         273.185     90          
1 1 1 6  0  18 o 616.993 4.02185 698.296      12.8604   698.296      12.8604   728.689     360         266.314     360         
1 1 1 6  0  19 o 151.24  2.68288 42.0123      2.1003    42.0123      2.1003    149.81      270         108.624     270         
1 1 1 6  0  20 f 298.749 2.68098 163.707      4.15023   163.707      4.15023   178.771     360         0           0           
1 1 1 6  0  21 o 110.597 2.30577 22.4825      1.31927   22.4825      1.31927   57.1314     90          92.3077     270         
1 1 1 6  0  22 o 465.148 2.92403 396.863      7.04899   396.863      7.04899   503.246     180         117.957     180         
1 1 1 6  0  23 o 150.449 2.14393 41.5491      1.67044   41.5491      1.67044   170.826     90.0001     122.814     90.0001     
1 1 1 6  0  24 o 264.081 2.62107 127.973      3.58635   127.973      3.58635   235.692     180         30.0247     360         
1 1 1 6  0  25 o 9.67389 4.27512 0.0973744    0.439471  0.0973744    0.439471  11.4742     89.9999     23.3712     89.9999     
1 1 1 6  0  26 o 77.3212 2.6601  11.045       1.06039   11.045       1.06039   54.8126     0           20.6345     0           
1 1 1 6  0  27 o 139.776 2.51779 35.9103      1.82157   35.9103      1.82157   205.334     90          181.763     90          
1 1 1 6  0  28 o 85.5168 2.26536 13.4707      1.00099   13.4707      1.00099   102.251     360         49.3118     360         
1 1 1 6  0  29 o 185.914 2.20806 63.4571      2.12656   63.4571      2.12656   153.179     90          40.5351     270         
1 1 1 6  0  30 o 191.076 2.21891 67.0334      2.19641   67.0334      2.19641   135.027     180         85.0902     8.64023e-06 
1 1 1 6  0  31 o 114.368 2.226   24.0518      1.3174    24.0518      1.3174    98.0175     270         15.6841     90          
1 1 1 6  0  32 o 48.7234 2.65914 4.43481      0.662154  4.43481      0.662154  28.7715     180         21.1007     8.6516e-06  
1 1 1 6  0  33 o 146.244 2.23865 39.2985      1.69526   39.2985      1.69526   124.061     90          20.3373     270         
1 1 1 6  0  34 o 236.962 2.31816 103.113      2.8462    103.113      2.8462    215.086     180         2.9035      8.65149e-06 
1 1 1 6  0  35 o 182.028 2.27456 60.8757      2.14468   60.8757      2.14468   204.902     90          78.6325     90          
1 1 1 6  0  36 o 105.102 2.34453 20.3435      1.27443   20.3435      1.27443   95.5511     180         0.777405    180         
1 1 1 6  0  37 o 20.4261 5.25739 1.02486      0.512128  1.02486      0.512128  0.86715     89.9998     2.7952      89.9998     
1 1 1 6  0  38 o 125.985 2.3042  29.2253      1.50249   29.2253      1.50249   108.021     180         9.89018     8.65142e-06 
1 1 1 6  0  39 o 88.156  2.7678  14.3948      1.25909   14.3948      1.25909   86.4981     90          15.703      90          
1 1 1 6  0  40 o 77.8413 2.85341 11.2621      1.14424   11.2621      1.14424   64.4008     180         9.36784     8.65155e-06 
1 1 1 6  0  41 o 49.308  3.22227 4.60952      0.806534  4.60952      0.806534  40.6637     270         5.69518     90          
1 1 1 6  0  42 o 7.64185 3.6851  -0.259556    0.451906  -0.259556    0.451906  6.82275     8.6515e-06  15.4171     8.6515e-06  
1 1 1 6  0  43 f 14.6236 5.15177 0.596454     0.474117  0.596454     0.474117  1.19287     90.0003     0           0           
1 1 1 6  0  44 o 22.5386 4.93527 1.19032      0.504802  1.19032      0.504802  1.02271     360         0.416448    360         
1 1 1 6  0  45 o 14.1828 5.40925 0.560241     0.552261  0.560241     0.552261  1.33275     270         10.8217     90          
1 1 1 6  0  46 o 14.1521 5.43124 0.558449     0.560122  0.558449     0.560122  2.98304     360         3.73224     180         
1 1 1 6  0  47 o 6.83307 3.41983 -0.601055    0.498757  -0.601055    0.498757  8.31492     90          21.8102     90          
1 1 1 6  0  48 o 6.14776 3.11649 -0.725756    0.467063  -0.725756    0.467063  2.00128     180         5.04063     180         
1 1 1 6  0  49 o 11.8676 4.93186 0.345886     0.513263  0.345886     0.513263  1.00083     270         5.32702     90          
1 1 1 6  0  50 o 6.06488 3.06009 -0.601283    0.429623  -0.601283    0.429623  7.43186     180         18.5034     180         
1 1 1 6  0  51 o 51.9161 2.9796  5.18428      0.789303  5.18428      0.789303  48.9078     270         11.5361     270         
1 1 1 6  0  52 o 8.67621 4.06043 -0.0585854   0.477478  -0.0585854   0.477478  0.972136    360         5.54336     360         
1 1 1 6  0  53 o 17.1378 5.70192 0.891454     0.569877  0.891454     0.569877  12.6532     90          2.02269     90          
1 1 1 6  0  54 o 14.1662 5.44301 0.634977     0.563204  0.634977     0.563204  6.36387     0           7.92848     180         
1 1 1 6  0  55 f 29.714  5.00977 2.0543       0.669561  2.0543       0.669561  14.4719     270         0           0           
1 1 1 6  0  56 o 37.2092 4.89972 3.12201      0.848889  3.12201      0.848889  36.6273     180         13.5582     180         
1 1 1 6  0  57 o 13.3362 5.53744 0.589274     0.646107  0.589274     0.646107  1.95969     270         0.673334    90          
1 1 1 6  0  58 f 16.4118 6.3087  1.0183       0.756948  1.0183       0.756948  7.75819     2.65065e-08 0           0           
1 1 1 6  0  59 o 7.69563 3.80164 -0.369409    0.55746   -0.369409    0.55746   3.19943     90          9.98359     90          
1 1 1 6  0  60 o 9.16308 4.33444 -0.00713552  0.569316  -0.00713552  0.569316  0.710197    180         3.46886     180         
1 1 1 6  0  61 o 12.0094 5.3849  0.448293     0.725579  0.448293     0.725579  0.578197    270         1.00562     90          
1 1 1 6  0  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  1  0  o 157.465 1.99524 45.4981      1.6274    45.4981      1.6274    128.288     180         53.2298     4.22046e-06 
1 1 1 6  1  1  o 250.17  2.12678 114.729      2.75768   114.815      2.75825   209.545     182.109     58.5571     2.10901     
1 1 1 6  1  2  o 251.911 2.13404 114.601      2.78456   118.163      2.78829   250.882     103.478     23.6157     103.478     
1 1 1 6  1  3  o 319.129 2.27641 186.55       3.76538   187.012      3.76605   261.69      261.709     93.8003     81.7095     
1 1 1 6  1  4  o 60.1909 2.03872 7.1697       0.635428  6.16666      0.63061   46.7613     67.9791     172.633     67.9791     
1 1 1 6  1  5  o 64.5414 2.02622 6.83222      0.670479  8.52141      0.676158  16.7981     18.2107     105.466     18.2107     
1 1 1 6  1  6  o 163.887 2.00844 46.7356      1.69886   51.8269      1.71073   108.523     160.052     83.2959     340.052     
1 1 1 6  1  7  o 70.1431 2.03352 9.78373      0.740956  8.31869      0.731656  3.06969     187.296     53.6441     7.29639     
1 1 1 6  1  8  o 75.6552 2.02991 11.0822      0.796397  9.95138      0.79134   18.7214     109.914     149.439     109.914     
1 1 1 6  1  9  o 356.65  2.46477 231.875      4.70385   234.609      4.40264   381.492     14.0083     76.9375     14.0083     
1 1 1 6  1  10 o 56.3678 2.29755 5.89151      0.713978  5.79808      0.62026   29.1242     79.7145     113.511     79.7145     
1 1 1 6  1  11 f 166.825 2.11071 51.9956      1.88922   50.0537      1.76096   240.799     99.8943     0           0           
1 1 1 6  1  12 o 52.3527 2.30483 4.36927      0.592775  5.76782      0.649287  33.5759     242.691     113.94      242.691     
1 1 1 6  1  13 o 138.64  2.21387 35.4226      1.47226   35.0515      1.70033   124.95      320.941     73.5886     320.941     
1 1 1 6  1  14 o 246.414 2.34856 111.234      2.7773    111.404      3.20726   170.281     280.274     125.468     100.274     
1 1 1 6  1  15 o 30.7801 3.61503 1.5859       0.524779  1.9943       0.588711  54.9124     108.583     125.228     108.583     
1 1 1 6  1  16 o 459.994 3.10564 389.616      7.41042   386.479      7.39985   328.459     226.274     227.742     46.2737     
1 1 1 6  1  17 o 367.247 2.62242 242.796      4.98667   251.847      4.99663   377.39      339.514     56.6572     339.514     
1 1 1 6  1  18 o 70.0884 2.51853 8.38084      0.873898  9.70482      0.950424  2.05288     215.347     79.0993     215.347     
1 1 1 6  1  19 o 271.491 2.41608 133.762      3.39891   136.551      3.40114   225.285     322.159     58.5021     142.159     
1 1 1 6  1  20 o 155.488 2.19457 44.8546      1.82846   43.8082      1.70831   130.852     141.138     8.77756     321.138     
1 1 1 6  1  21 o 167.234 2.13362 51.7015      1.85118   50.8685      1.84791   104.283     136.189     92.7565     316.189     
1 1 1 6  1  22 o 327.792 2.47548 196.878      4.06261   197.312      4.34532   341.246     180.64      69.5891     180.64      
1 1 1 6  1  23 o 330.398 2.59239 198.825      4.1103    201.767      4.7507    360.947     86.1301     106.367     86.1301     
1 1 1 6  1  24 o 219.886 2.67269 89.877       2.90553   87.6097      3.17719   219.576     100.756     38.1112     100.755     
1 1 1 6  1  25 o 118.399 2.62741 26.5886      1.54622   24.9425      1.66731   100.353     349.204     1.87053     349.204     
1 1 1 6  1  26 f 127.383 2.41773 29.1662      1.65441   30.4563      1.52979   182.104     69.7005     0           0           
1 1 1 6  1  27 o 86.1331 2.67762 12.8138      1.27431   14.5188      1.08764   87.4718     148.706     38.6499     148.706     
1 1 1 6  1  28 o 212.277 2.38682 80.6632      2.61728   84.8573      2.63458   209.152     164.916     26.4751     164.916     
1 1 1 6  1  29 o 77.5104 2.37947 10.6789      0.980265  11.4377      0.923479  36.8563     41.1537     60.1015     221.154     
1 1 1 6  1  30 o 196.34  2.22564 69.0715      2.25951   72.5375      2.26998   174.907     240.108     9.67159     60.1077     
1 1 1 6  1  31 o 121.415 2.22013 27.6477      1.39981   26.5432      1.39209   134.525     107.762     56.573      107.762     
1 1 1 6  1  32 o 124.668 2.2279  28.3031      1.43515   28.8308      1.44195   101.752     229.916     19.3804     49.9158     
1 1 1 6  1  33 o 175.329 2.24662 57.5883      2.04695   55.3735      2.03627   151.522     178.049     14.3719     358.049     
1 1 1 6  1  34 o 84.2761 2.37831 13.5961      1.03424   12.5673      1.03812   85.1399     316.803     28.1204     316.803     
1 1 1 6  1  35 o 135.956 2.26923 33.4677      1.59504   34.4978      1.60323   128.324     282.782     15.2267     282.782     
1 1 1 6  1  36 o 155.458 2.27018 44.4018      1.83219   44.5009      1.82656   169.637     73.4917     64.2173     73.4917     
1 1 1 6  1  37 o 34.4245 3.38404 2.1644       0.58527   2.30341      0.589445  2.76405     292.842     2.054       112.842     
1 1 1 6  1  38 o 20.5329 3.84447 0.0185772    0.495802  1.45135      0.496778  2.04944     196.19      9.86456     196.19      
1 1 1 6  1  39 o 65.3027 2.93592 7.98897      0.985567  7.87476      0.991672  43.5523     310.789     25.0327     130.789     
1 1 1 6  1  40 o 82.2394 2.63198 13.7025      1.1257    11.4505      1.10703   98.0519     120.489     56.3051     120.489     
1 1 1 6  1  41 o 58.5028 2.79744 6.67741      0.840081  6.11025      0.844977  64.8457     184.624     34.6965     184.624     
1 1 1 6  1  42 o 45.5266 3.11082 3.80492      0.723243  4.02215      0.726315  12.2152     19.3839     52.0231     199.384     
1 1 1 6  1  43 o 73.2013 2.51934 10.1565      0.953927  9.86029      0.952097  73.6267     97.7426     22.9874     97.7426     
1 1 1 6  1  44 o 73.7606 2.52391 9.37049      0.950138  11.0489      0.970549  67.5539     21.6673     9.45045     21.6673     
1 1 1 6  1  45 o 16.4108 3.90202 -0.686011    0.489912  1.0839       0.54165   3.89826     322.363     10.1763     142.363     
1 1 1 6  1  46 o 39.0304 3.57135 2.34566      0.676766  3.66648      0.707816  38.2378     306.481     13.4408     306.481     
1 1 1 6  1  47 o 56.7143 2.9503  6.38354      0.872107  5.91757      0.850146  53.6773     203.409     12.7452     203.409     
1 1 1 6  1  48 o 42.4413 3.42445 3.16595      0.725997  3.9182       0.747851  33.6046     15.5064     2.31665     195.506     
1 1 1 6  1  49 o 13.6422 4.01484 0.222854     0.465094  0.0696629    0.478147  0.886986    288.139     0.745324    108.139     
1 1 1 6  1  50 o 32.7449 3.80258 2.26042      0.63122   2.11024      0.614815  16.8481     19.8577     18.7253     199.858     
1 1 1 6  1  51 o 24.645  4.45852 1.26846      0.57088   1.35479      0.573144  12.1568     156.723     13.3826     336.723     
1 1 1 6  1  52 o 23.1003 4.51838 1.48969      0.571412  0.870836     0.577478  19.728      46.7669     9.18963     46.7669     
1 1 1 6  1  53 o 31.9772 4.07446 2.37255      0.657126  2.03644      0.642915  25.2409     348.894     0.719063    348.894     
1 1 1 6  1  54 o 12.5366 3.94936 -0.0372467   0.521121  0.010815     0.516937  3.85502     277.493     25.1634     277.493     
1 1 1 6  1  55 o 21.3313 4.7455  1.29374      0.593933  0.916734     0.591171  15.9572     40.4086     3.31263     40.4086     
1 1 1 6  1  56 o 12.0739 3.94319 -0.264891    0.598169  -0.0854764   0.561328  1.18172     62.2765     8.93259     242.277     
1 1 1 6  1  57 o 15.9207 4.63599 0.141639     0.624075  0.829464     0.650879  6.71277     168.79      5.10266     348.79      
1 1 1 6  1  58 o 14.8991 4.51673 0.618967     0.643212  0.130927     0.62343   5.00199     50.078      0.871885    230.078     
1 1 1 6  1  59 f 9.88011 3.42219 -0.762727    0.602636  -0.736042    0.579806  5.43356     239.353     0           0           
1 1 1 6  1  60 o 16.7177 4.74906 0.611884     0.642999  0.828336     0.622711  6.41463     183.112     5.54752     3.11248     
1 1 1 6  1  61 o 10.2483 3.55374 -1.38094     0.647778  -0.273177    0.647575  0.0027717   98.555      3.03374     278.555     
1 1 1 6  1  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  2  0  o 249.79  2.12955 114.436      2.75645   114.436      2.75645   266.289     7.2079e-06  40.4983     7.20789e-06 
1 1 1 6  2  1  o 258.661 2.14765 122.152      2.87957   123.239      2.87951   176.182     309.401     144.237     129.401     
1 1 1 6  2  2  o 253.999 2.20971 119.171      3.00488   117.463      2.81192   315.428     273.596     157.171     273.596     
1 1 1 6  2  3  o 272.573 2.34123 138.549      3.54084   133.994      3.06515   214.682     165.562     93.8861     345.562     
1 1 1 6  2  4  o 319.484 2.36282 186.754      4.0434    187.646      3.77744   292.062     285.792     31.885      105.792     
1 1 1 6  2  5  o 501.479 2.77077 469.697      7.21414   453.031      7.18954   439.214     354.898     100.285     174.898     
1 1 1 6  2  6  o 101.341 2.06395 20.2054      1.04581   17.5351      1.1106    57.4428     117.244     2.67893     297.244     
1 1 1 6  2  7  o 162.704 2.18192 49.7725      1.70415   47.3227      1.96001   62.0223     104.692     178.104     284.692     
1 1 1 6  2  8  o 75.995  2.09911 10.6241      0.796436  10.5851      0.853071  16.0608     18.5221     143.793     18.5221     
1 1 1 6  2  9  o 99.5091 2.01266 19.9704      1.04218   16.4512      1.02612   54.755      317.097     21.0533     137.097     
1 1 1 6  2  10 o 308.442 2.2727  176.675      3.63854   172.178      3.62847   332.65      341.416     77.5729     341.416     
1 1 1 6  2  11 o 329.23  2.32656 201.481      3.97507   195.975      3.96547   287.647     91.8338     56.4386     271.834     
1 1 1 6  2  12 o 180.227 2.06792 60.5387      1.93313   58.558       1.93032   185.125     300.439     49.3235     300.439     
1 1 1 6  2  13 o 330.734 2.34174 203.756      4.01826   197.341      4.01042   377.995     169.385     127.676     169.385     
1 1 1 6  2  14 o 412.021 2.54812 316.025      5.44635   306.505      5.43714   402.975     8.18618     14.9072     8.18616     
1 1 1 6  2  15 o 462.375 3.11385 390.326      7.46194   393.807      7.46428   506.885     298.981     126.687     298.981     
1 1 1 6  2  16 o 229.881 2.73609 95.6863      3.25466   98.1208      3.26578   189.55      100.127     49.4965     280.127     
1 1 1 6  2  17 o 212.485 2.29918 82.2677      2.5283    83.2913      2.53648   272.845     315.756     179.587     315.756     
1 1 1 6  2  18 o 306.405 2.31797 173.164      3.68272   171.112      3.68037   298.484     311.653     20.1942     311.653     
1 1 1 6  2  19 o 310.461 2.50003 181.467      4.03351   172.091      4.01153   345.798     222.052     110.683     222.052     
1 1 1 6  2  20 o 90.1789 2.35495 15.7255      1.1007    14.1611      1.09514   0.596414    151.081     145.849     151.08      
1 1 1 6  2  21 o 193.745 2.16073 68.8542      2.16927   68.8158      2.17075   189.496     110.242     31.8279     110.242     
1 1 1 6  2  22 o 277.277 2.28861 141.568      3.29039   140.461      3.28839   246.853     96.3529     22.2527     276.353     
1 1 1 6  2  23 o 36.1471 2.94057 2.87307      0.538733  2.02491      0.52936   27.8275     3.5271      70.2102     3.5271      
1 1 1 6  2  24 o 186.068 2.73932 63.0288      2.6459    64.0752      2.63804   108.39      276.147     123.941     96.1466     
1 1 1 6  2  25 o 47.0301 2.97825 4.65274      0.723497  3.57321      0.704958  12.0027     315.935     67.2331     315.935     
1 1 1 6  2  26 o 249.142 2.26893 112.635      2.92596   115.222      2.93427   231.464     308.404     0.471848    308.401     
1 1 1 6  2  27 o 193.925 2.2809  70.7604      2.37254   67.3319      2.21324   185.981     173.88      13.9163     173.88      
1 1 1 6  2  28 o 208.441 2.38312 80.1787      2.57124   79.3933      2.57846   163.785     306.197     57.7857     126.197     
1 1 1 6  2  29 o 86.7441 2.33763 14.1187      1.01788   13.5626      1.07802   92.7549     207.025     49.4504     207.025     
1 1 1 6  2  30 o 125.106 2.38801 29.2188      1.43595   28.3143      1.64827   112.864     163.52      2.47298     163.52      
1 1 1 6  2  31 o 47.3746 2.73777 3.89453      0.642674  4.42184      0.690361  15.5388     55.9797     0.615197    235.98      
1 1 1 6  2  32 o 168.875 2.384   52.9149      2.09221   51.8927      2.08153   151.675     232.149     2.38362     52.1489     
1 1 1 6  2  33 o 93.7149 2.39722 16.3484      1.20634   15.9766      1.11806   113.613     147.799     74.651      147.799     
1 1 1 6  2  34 o 41.957  3.04946 3.32596      0.677639  3.22684      0.629598  17.2775     226.009     22.8328     46.009      
1 1 1 6  2  35 o 274.425 2.472   138.04       3.63194   139.033      3.39603   268.305     41.2248     40.7486     41.2248     
1 1 1 6  2  36 o 75.8026 2.52329 10.4473      1.02338   10.7579      0.951359  66.0928     209.467     6.91311     209.467     
1 1 1 6  2  37 o 80.931  2.41046 11.7922      1.00822   12.3811      1.00925   67.8148     83.6248     1.4049      263.625     
1 1 1 6  2  38 o 68.5688 2.51041 8.2022       0.877396  9.20555      0.899958  57.8387     271.173     0.53433     271.173     
1 1 1 6  2  39 o 40.4639 3.49669 2.43072      0.716673  3.83063      0.670621  27.01       99.4365     10.1982     279.437     
1 1 1 6  2  40 o 44.9081 3.3152  4.3345       0.763724  3.297        0.746256  35.2548     309.233     1.98943     129.233     
1 1 1 6  2  41 o 81.5935 2.54335 13.5041      1.04716   11.289       1.08788   82.2666     105.099     24.783      105.099     
1 1 1 6  2  42 o 46.0207 3.12334 4.11516      0.748113  3.88647      0.723806  47.0047     327.169     22.7072     327.169     
1 1 1 6  2  43 o 69.6022 2.72459 9.60626      0.980444  8.5743       0.97559   62.6411     234.348     7.00487     234.348     
1 1 1 6  2  44 o 82.4047 2.47143 12.0452      1.04558   13.3924      1.05933   85.9128     297.047     31.3748     297.047     
1 1 1 6  2  45 o 74.2109 2.72116 10.4031      1.04632   10.3901      1.04006   76.7919     323.677     27.9171     323.677     
1 1 1 6  2  46 o 49.4741 3.35722 3.85348      0.823397  5.67416      0.85387   36.382      167.855     10.0657     347.855     
1 1 1 6  2  47 o 91.9623 2.6439  16.7292      1.27303   15.2992      1.24165   84.473      35.8198     13.4531     35.8198     
1 1 1 6  2  48 o 11.1917 3.6123  -0.319098    0.450914  -0.164506    0.480701  0.465125    200.257     9.32372     200.257     
1 1 1 6  2  49 f 39.4565 3.58626 3.37782      0.709304  2.83244      0.716686  13.3425     287.702     0           0           
1 1 1 6  2  50 f 22.3471 4.5085  1.02756      0.553244  1.10712      0.543354  17.1723     227.899     0           0           
1 1 1 6  2  51 o 20.3341 4.38283 1.32592      0.557591  0.388972     0.532885  9.25213     199.609     11.112      19.6086     
1 1 1 6  2  52 o 39.0442 3.51457 3.64529      0.697542  2.60951      0.676083  25.6052     27.5788     11.3752     207.579     
1 1 1 6  2  53 o 11.7506 3.75613 0.034054     0.499024  -0.330753    0.489375  0.309283    61.3255     14.8901     61.3256     
1 1 1 6  2  54 o 47.3691 3.39516 3.44496      0.776896  6.01248      0.810136  42.1686     56.1931     8.95156     56.1931     
1 1 1 6  2  55 o 24.3605 4.73838 1.49307      0.620743  1.38736      0.613778  20.0934     271.672     5.98235     271.672     
1 1 1 6  2  56 o 18.7313 4.66844 0.288471     0.62046   1.31872      0.619517  9.1745      98.5704     6.61444     278.57      
1 1 1 6  2  57 o 12.1451 3.99342 -0.0967744   0.603583  -0.264707    0.614262  1.47586     77.5138     17.6417     77.5138     
1 1 1 6  2  58 o 12.1591 3.92216 -0.427064    0.554661  0.250028     0.569486  1.89561     191.775     5.72086     11.7754     
1 1 1 6  2  59 o 11.4545 3.81834 0.149282     0.623711  -0.833882    0.575111  0.0238724   74.6621     7.63832     254.662     
1 1 1 6  2  60 o 12.7116 4.06857 0.256098     0.597353  -0.104219    0.558078  1.59317     275.918     4.78458     95.9177     
1 1 1 6  2  61 o 13.0014 4.14799 0.760769     0.674723  -0.951693    0.619206  2.597       15.0925     6.20967     195.093     
1 1 1 6  2  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  3  0  o 112.51  2.252   23.2622      1.311     23.2622      1.311     23.6178     360         171.961     180         
1 1 1 6  3  1  o 248.828 2.35787 113.649      2.92331   113.459      3.15454   128.032     136.764     221.668     316.764     
1 1 1 6  3  2  o 233.012 2.175   100.634      2.53964   98.5026      2.70966   132.65      183.678     179.8       3.67776     
1 1 1 6  3  3  o 157.122 2.15653 46.4962      1.63133   44.0599      1.86629   41.7065     209.191     208.83      29.1912     
1 1 1 6  3  4  o 218.32  2.24332 88.1767      2.3573    86.6354      2.70499   165.633     76.8109     81.0168     256.811     
1 1 1 6  3  5  o 239.898 2.19293 109.043      2.64047   102.072      2.80342   206.313     4.29148     41.9633     184.291     
1 1 1 6  3  6  o 150.552 1.99536 43.2095      1.5603    39.935       1.55253   157.912     134.996     79.6388     134.996     
1 1 1 6  3  7  o 252.454 2.14572 113.605      2.80301   120.144      2.81142   231.687     17.6997     15.0947     197.7       
1 1 1 6  3  8  o 142.918 2.00353 35.7598      1.47933   39.171       1.48726   93.9514     87.2641     65.4509     267.264     
1 1 1 6  3  9  o 103.208 2.00595 19.5852      1.07313   19.4991      1.07116   53.0059     147.466     10.0478     147.466     
1 1 1 6  3  10 o 214.479 2.09621 84.9896      2.33189   83.673       2.32904   246.506     64.741      102.616     64.741      
1 1 1 6  3  11 o 287.774 2.2337  153.498      3.33388   150.147      3.32989   284.496     322.118     22.7167     322.118     
1 1 1 6  3  12 o 152.805 2.05114 43.9815      1.62601   41.6407      1.6225    86.989      259.329     101.969     79.3294     
1 1 1 6  3  13 o 200.655 2.10257 73.4171      2.18637   74.2009      2.1874    217.836     281.84      73.8283     281.84      
1 1 1 6  3  14 o 249.484 2.25921 111.829      3.00606   116.41       2.8302    270.56      188.387     77.4074     188.387     
1 1 1 6  3  15 o 97.352  2.64804 17.8239      1.33726   16.9873      1.32991   40.6844     281.965     62.7924     101.965     
1 1 1 6  3  16 o 297.921 2.89138 162.332      4.46504   163.193      4.46526   282.824     11.541      3.4566      11.5409     
1 1 1 6  3  17 o 203.721 2.14338 75.7658      2.26034   76.4103      2.26649   177.26      336.494     18.3005     156.494     
1 1 1 6  3  18 o 117.083 2.12666 24.2939      1.28703   26.0039      1.2922    68.548      192.553     53.5929     12.5534     
1 1 1 6  3  19 o 259.402 2.23993 124.602      3.01437   122.166      3.00922   297.911     326.364     118.832     326.364     
1 1 1 6  3  20 o 105.398 2.30895 19.8086      1.25411   20.9818      1.26529   43.11       20.0113     83.7735     200.011     
1 1 1 6  3  21 o 96.4732 2.33661 17.0596      1.16769   17.1199      1.16583   32.2655     22.008      85.5546     202.008     
1 1 1 6  3  22 o 74.7249 2.25155 10.9947      0.875645  9.55134      0.862184  14.7941     171.922     30.2315     351.922     
1 1 1 6  3  23 o 182.398 2.31542 61.0104      2.1889    61.057       2.18945   192.712     216.401     64.4599     216.401     
1 1 1 6  3  24 o 281.835 2.91997 143.041      4.26559   148.687      4.26486   346.494     200.927     174.334     200.927     
1 1 1 6  3  25 o 122.4   2.41652 27.4163      1.58635   27.6237      1.47454   125.198     359.529     46.7075     359.529     
1 1 1 6  3  26 f 160.594 2.16837 46.4494      1.80116   48.2211      1.80864   121.909     96.6158     0           0           
1 1 1 6  3  27 o 54.8286 2.46342 4.9794       0.688083  6.13585      0.700083  21.0579     187.1       42.2173     7.09995     
1 1 1 6  3  28 o 132.898 2.33596 32.3656      1.60808   32.5009      1.61035   115.002     176.559     10.0823     356.559     
1 1 1 6  3  29 o 154.261 2.34506 42.4618      1.86732   44.969       1.88226   159.562     105.751     40.4133     105.751     
1 1 1 6  3  30 o 126.4   2.20137 29.4873      1.44532   29.1946      1.43938   115.321     144.476     5.25004     144.476     
1 1 1 6  3  31 o 120.717 2.22741 27.2798      1.397     26.2927      1.388     107.144     336.971     0.303182    156.972     
1 1 1 6  3  32 o 72.416  2.45914 10.4874      0.959575  8.86634      0.881238  71.9993     198.216     33.5719     198.216     
1 1 1 6  3  33 o 174.24  2.32339 56.0642      2.17098   55.5167      2.02401   171.477     224.893     28.6053     224.893     
1 1 1 6  3  34 o 164.33  2.25753 49.4554      1.92488   49.8093      1.9211    152.436     2.12821     9.8255      2.12821     
1 1 1 6  3  35 o 145.586 2.33457 38.0528      1.6962    39.9134      1.82733   151.313     142.853     44.6254     142.853     
1 1 1 6  3  36 o 115.586 2.38292 24.8887      1.37906   24.3328      1.47065   111.965     2.81799     22.752      2.81799     
1 1 1 6  3  37 o 139.26  2.38128 36.1893      1.65722   35.2817      1.77537   135.549     354.374     25.7274     354.374     
1 1 1 6  3  38 o 83.5813 2.58438 11.9594      1.11197   13.9191      1.11737   55.2425     76.3198     34.6225     256.32      
1 1 1 6  3  39 o 19.6252 4.60489 0.643517     0.546658  0.744723     0.547711  0.557145    25.3587     11.9827     205.359     
1 1 1 6  3  40 o 98.4899 2.87665 17.4286      1.52366   18.6758      1.3984    78.9244     130.692     13.8798     310.692     
1 1 1 6  3  41 o 88.815  2.49447 14.4224      1.17953   14.8852      1.11021   73.3243     207.616     6.867       27.616      
1 1 1 6  3  42 o 20.5054 4.31576 0.70604      0.516428  0.918535     0.477176  0.420217    310.781     27.4024     310.781     
1 1 1 6  3  43 o 15.828  4.1925  0.134035     0.482591  0.562362     0.475343  0.854867    258.594     15.8688     258.594     
1 1 1 6  3  44 o 25.545  4.20227 1.43206      0.568511  1.19573      0.524443  18.4624     166.635     5.60164     166.635     
1 1 1 6  3  45 o 44.0115 3.38082 4.44418      0.806082  3.09669      0.705993  36.1575     133.61      0.410368    313.61      
1 1 1 6  3  46 f 39.8183 3.88507 3.27114      0.827368  2.98899      0.733686  32.727      115.145     0           0           
1 1 1 6  3  47 o 61.769  2.68358 7.27667      0.859     7.21653      0.851191  63.8737     150         24.7891     150         
1 1 1 6  3  48 o 64.3055 2.70151 7.45931      0.890952  8.34005      0.900103  56.8422     83.0791     6.5667      83.0791     
1 1 1 6  3  49 o 17.7932 4.56988 0.701821     0.541411  0.460103     0.557083  8.09754     80.9133     6.79785     260.913     
1 1 1 6  3  50 o 38.9019 3.38725 3.09361      0.664391  2.93328      0.672015  32.9831     123.288     3.80095     123.288     
1 1 1 6  3  51 o 12.4021 3.86548 -0.120533    0.487792  0.0414354    0.483791  8.24448     35.5389     33.8514     35.5389     
1 1 1 6  3  52 o 42.9864 3.3233  3.29836      0.71804   4.18589      0.729247  41.5836     164.06      14.7812     164.06      
1 1 1 6  3  53 o 19.3885 3.81974 -0.448497    0.532699  1.69951      0.564169  13.5682     262.09      0.659507    262.09      
1 1 1 6  3  54 o 30.5844 4.25598 1.36576      0.641297  2.94651      0.660362  23.5684     209.505     0.0184797   209.507     
1 1 1 6  3  55 o 10.7796 3.57568 -0.486824    0.503482  -0.175311    0.511545  0.622143    213.755     7.02569     33.7555     
1 1 1 6  3  56 f 16.0275 4.32398 1.15441      0.620543  -0.403899    0.556952  6.19702     163.466     0           0           
1 1 1 6  3  57 o 31.2581 5.08768 2.97598      0.80874   2.16202      0.818964  24.0292     210.008     1.59075     210.008     
1 1 1 6  3  58 o 11.3267 3.72904 0.0467555    0.549709  -0.453072    0.526133  0.843029    151.538     3.8241      331.538     
1 1 1 6  3  59 o 20.38   4.89956 0.565589     0.623147  1.78844      0.710404  12.0852     314.442     0.165647    314.441     
1 1 1 6  3  60 o 14.4437 4.4772  0.86111      0.716787  -0.310725    0.624163  3.22781     196.184     2.10437     16.1842     
1 1 1 6  3  61 o 12.3213 3.97402 0.409096     0.585509  -0.503875    0.592799  1.63495     328.103     2.47109     148.103     
1 1 1 6  3  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  4  0  o 189.745 2.02426 66.0429      1.98996   66.0429      1.98996   135.808     4.04045e-05 116.554     4.04045e-05 
1 1 1 6  4  1  o 167.286 1.9959  52.9845      1.7336    49.6613      1.72671   93.8837     141.426     121.304     321.426     
1 1 1 6  4  2  o 441.979 2.59319 363.382      5.94627   353.193      5.9352    426.463     287.479     5.41479     107.478     
1 1 1 6  4  3  o 203.543 2.04389 76.2215      2.15758   75.6998      2.15535   234.213     134.953     100.566     134.953     
1 1 1 6  4  4  o 453.685 2.62335 379.403      6.17225   375.555      6.16641   434.052     125.621     12.858      305.621     
1 1 1 6  4  5  o 256.11  2.22404 118.982      3.04547   121.554      2.85427   292.278     86.0596     104.366     86.0596     
1 1 1 6  4  6  o 647.699 3.50309 759.235      12.5407   780.1        10.9005   670.858     128.209     79.546      128.209     
1 1 1 6  4  7  o 224.608 2.25755 92.6291      2.80586   92.356       2.43864   221.787     183.549     24.7787     183.549     
1 1 1 6  4  8  o 142.543 2.07462 36.2124      1.57721   38.299       1.48363   141.219     130.318     62.4164     130.318     
1 1 1 6  4  9  o 444.74  2.70577 363.77       6.03116   361.562      6.43647   500.816     114.399     144.116     114.399     
1 1 1 6  4  10 o 205.321 2.24921 78.5505      2.22484   76.0281      2.5463    186.362     181.068     6.66278     1.06826     
1 1 1 6  4  11 o 149.899 2.11204 43.1347      1.58946   39.2921      1.68424   30.1763     137.569     215.025     317.569     
1 1 1 6  4  12 o 299.293 2.34326 162.842      3.51679   165.607      3.75192   317.896     128.019     69.7069     128.02      
1 1 1 6  4  13 o 460.354 2.85561 392.698      6.81693   384.518      6.81116   471.613     182.796     58.7321     182.796     
1 1 1 6  4  14 o 518.934 3.29456 498.579      8.86417   489.229      8.85965   559.764     204.244     122.476     204.244     
1 1 1 6  4  15 o 163.105 2.63043 47.0943      2.21601   50.4947      2.23035   163.157     38.0749     46.6903     38.0749     
1 1 1 6  4  16 o 189.377 2.44957 68.8327      2.41539   62.7516      2.39108   179.48      201.367     18.35       201.367     
1 1 1 6  4  17 o 238.851 2.19655 104.927      2.71864   104.266      2.72045   271.217     318.327     106.307     318.327     
1 1 1 6  4  18 o 199.131 2.14541 72.3165      2.21266   73.0906      2.21635   134.57      292.817     96.9895     112.817     
1 1 1 6  4  19 o 130.253 2.11655 31.3367      1.43058   30.8808      1.42749   90.3864     109.831     56.3374     109.831     
1 1 1 6  4  20 o 239.229 2.2136  104.818      2.74691   105.085      2.74311   246.952     351.282     55.4826     351.282     
1 1 1 6  4  21 o 363.433 2.64255 246.98       4.98872   237.707      4.96686   418.141     99.3617     156.468     99.3617     
1 1 1 6  4  22 o 160.257 2.29188 45.5537      1.89622   48.6948      1.9104    146.931     237.581     16.5091     237.581     
1 1 1 6  4  23 o 378.115 2.90249 266.98       5.70582   258.011      5.67117   360.11      140.91      11.308      140.91      
1 1 1 6  4  24 o 210.319 2.76355 79.2481      3.01054   83.2101      3.01388   195.852     237.437     6.36318     237.437     
1 1 1 6  4  25 o 66.1573 2.4833  7.83192      0.849093  8.28626      0.847433  29.8926     227.491     1.59232     47.4906     
1 1 1 6  4  26 o 116.004 2.1804  24.8404      1.31419   24.5918      1.30572   95.7623     64.5859     15.7947     244.586     
1 1 1 6  4  27 f 203.017 2.21476 75.2663      2.33239   76.0604      2.329     162.902     65.4459     0           0           
1 1 1 6  4  28 f 205.875 2.21972 76.1292      2.36269   79.5336      2.37433   213.009     293.816     0           0           
1 1 1 6  4  29 o 29.8362 3.53411 1.31875      0.514265  2.08979      0.527628  15.261      296.921     59.7143     296.921     
1 1 1 6  4  30 o 48.3622 2.70723 4.53087      0.647617  4.1273       0.69413   20.7041     306.627     19.7674     126.627     
1 1 1 6  4  31 o 72.3122 2.35913 9.40401      0.875806  9.85375      0.88788   46.6249     39.6504     28.2088     219.65      
1 1 1 6  4  32 o 26.9728 3.74301 1.75771      0.510875  1.052        0.496559  6.73609     180.554     33.5177     180.554     
1 1 1 6  4  33 o 88.9402 2.31507 13.8678      1.06041   15.2631      1.0691    94.5251     93.0154     38.3931     93.0154     
1 1 1 6  4  34 o 148.044 2.23892 41.2729      1.72386   39.3095      1.71194   152.818     63.9853     42.1467     63.9853     
1 1 1 6  4  35 o 7.80729 2.71016 -0.993924    0.376667  -0.588514    0.379005  28.103      77.7417     58.4634     77.7417     
1 1 1 6  4  36 o 106.562 2.31822 21.9436      1.28235   19.9187      1.27377   118.231     234.462     54.8424     234.462     
1 1 1 6  4  37 o 29.5687 3.66891 1.30539      0.529415  2.07099      0.54437   4.71966     222.315     14.1889     42.3154     
1 1 1 6  4  38 o 43.9057 3.14464 2.80349      0.675747  4.51677      0.707555  22.2168     213.319     26.4248     33.3186     
1 1 1 6  4  39 o 126.58  2.66253 27.0333      1.72736   32.4682      1.7538    106.193     109.293     10.3311     289.293     
1 1 1 6  4  40 o 18.9492 4.4059  0.68789      0.492485  0.623964     0.509954  1.97779     326.236     23.061      326.236     
1 1 1 6  4  41 o 58.8907 2.62422 6.68519      0.796521  6.25813      0.796771  63.7157     297.623     31.2367     297.623     
1 1 1 6  4  42 o 12.0574 3.69726 -0.0654221   0.404798  -0.0115839   0.449165  7.14332     147.184     22.0993     147.184     
1 1 1 6  4  43 o 30.1604 3.97716 1.90077      0.546065  1.68433      0.64491   23.6297     266.056     4.01944     266.056     
1 1 1 6  4  44 o 47.3115 3.58544 4.97516      0.819481  3.71507      0.879972  31.9709     7.92614     15.0929     187.926     
1 1 1 6  4  45 o 60.5386 3.35711 7.42142      1.06865   6.67661      1.02117   61.2005     136.289     20.9415     136.289     
1 1 1 6  4  46 o 39.8159 3.71644 2.8543       0.742495  3.38357      0.749185  42.8649     197.05      22.1544     197.05      
1 1 1 6  4  47 o 74.1587 2.59027 10.353       0.991437  10.4902      0.993821  63.6116     130.315     2.62525     130.315     
1 1 1 6  4  48 o 15.252  4.07367 -0.103333    0.489326  0.66114      0.47432   4.96656     232.373     2.29479     52.3726     
1 1 1 6  4  49 o 13.2986 3.94206 -0.57409     0.515246  0.444707     0.503555  2.2297      318.546     3.43948     138.546     
1 1 1 6  4  50 o 48.9068 3.13544 4.29824      0.750943  5.11682      0.821506  47.0841     344.891     15.1115     344.891     
1 1 1 6  4  51 o 20.1693 4.52113 0.52344      0.573663  1.17844      0.542997  13.5103     133.926     0.109697    133.926     
1 1 1 6  4  52 o 11.1428 3.63337 -0.452199    0.527621  -0.118724    0.461484  0.959273    101.221     2.44335     281.221     
1 1 1 6  4  53 o 11.8462 3.69652 0.3311       0.499086  -0.729315    0.469772  2.40677     193.364     6.80286     13.3637     
1 1 1 6  4  54 o 47.1126 3.27058 4.20321      0.781254  4.99549      0.790104  42.5591     120.142     10.4759     120.142     
1 1 1 6  4  55 o 14.5591 4.33601 0.572936     0.59156   -0.0443127   0.556726  5.19909     210.917     5.46755     30.9171     
1 1 1 6  4  56 o 40.6743 4.14825 2.98281      0.821553  4.64889      0.83115   39.4845     87.086      17.0334     87.086      
1 1 1 6  4  57 o 15.9766 4.55978 -0.0276852   0.635521  0.955807     0.626384  7.13524     55.5227     0.255633    55.5227     
1 1 1 6  4  58 o 21.3541 4.61226 1.82483      0.628419  0.591013     0.614761  14.9552     59.4435     3.29006     59.4435     
1 1 1 6  4  59 o 14.4632 4.38238 0.391482     0.587836  0.376956     0.585679  2.80297     238.418     8.69228     58.4177     
1 1 1 6  4  60 o 15.3807 4.78385 0.274494     0.770691  0.671686     0.725159  5.08756     126.337     3.24747     306.337     
1 1 1 6  4  61 o 9.51634 3.30301 -1.06576     0.535231  -0.37573     0.573094  0.483809    31.4216     5.28084     31.4216     
1 1 1 6  4  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  5  0  o 93.8969 1.99386 16.2045      0.968474  16.2045      0.968474  10.1227     8.25642e-06 155.582     180         
1 1 1 6  5  1  o 67.3692 2.00802 8.72851      0.703231  7.95163      0.695262  0.977408    254.417     56.8132     254.417     
1 1 1 6  5  2  o 282.91  2.1876  147.776      3.20988   145.716      3.20621   227.402     194.202     86.3862     14.2022     
1 1 1 6  5  3  o 322.422 2.2778  190.065      3.80674   191.133      3.80701   296.765     17.9325     25.2124     197.933     
1 1 1 6  5  4  o 210.996 2.06446 86.3139      2.26448   77.0505      2.2469    205.512     91.3646     20.3684     91.3647     
1 1 1 6  5  5  o 388.389 2.4479  278.67       4.93231   274.488      4.92399   277.99      1.72777     195.233     181.728     
1 1 1 6  5  6  o 324.663 2.29326 193.757      3.86125   192.736      3.85748   386.013     181.848     154.97      181.848     
1 1 1 6  5  7  o 433.063 2.56914 347.026      5.77154   340.701      5.7627    484.941     62.922      135.603     62.9219     
1 1 1 6  5  8  o 154.603 2.01261 41.6827      1.60738   46.003       1.61592   133.495     223.476     3.87925     43.4759     
1 1 1 6  5  9  o 420.818 2.54035 329.076      5.54355   320.301      5.53851   414.702     91.016      19.3732     91.016      
1 1 1 6  5  10 o 350.751 2.37415 231.05       4.32311   220.109      4.30847   336.435     118.175     2.08647     118.175     
1 1 1 6  5  11 f 607.979 3.11651 683.95       9.82897   671.764      9.814     564.91      37.69       0           0           
1 1 1 6  5  12 o 401.074 2.77711 297.276      5.99084   292.643      5.55121   382.317     135.516     3.52303     315.516     
1 1 1 6  5  13 o 272.232 2.45457 137.499      3.59419   134.262      3.33106   337.979     50.4707     172.797     50.4707     
1 1 1 6  5  14 o 345.126 2.74495 216.013      4.90621   220.824      4.91482   354.177     302.352     53.9559     302.352     
1 1 1 6  5  15 f 69.6005 2.69588 8.77691      1.00295   9.04309      0.932234  50.8353     331.699     0           0           
1 1 1 6  5  16 o 62.2795 2.69018 6.72924      0.79692   7.5613       0.932113  6.1115      299.585     53.5547     299.585     
1 1 1 6  5  17 o 278.661 2.42839 142.931      3.25985   141.847      3.73743   303.79      347.108     89.9116     347.108     
1 1 1 6  5  18 o 101.256 2.20425 18.1754      1.11733   19.4708      1.19414   37.2495     359.917     85.8068     179.917     
1 1 1 6  5  19 o 219.849 2.24686 89.7197      2.47966   87.5579      2.63679   130.058     311.095     147.279     131.095     
1 1 1 6  5  20 o 219.238 2.1807  88.4102      2.47983   87.8887      2.47663   214.932     40.524      31.125      40.5239     
1 1 1 6  5  21 o 249.547 2.23558 117.203      2.89957   111.282      2.88304   308.861     195.011     167.8       195.011     
1 1 1 6  5  22 o 151.02  2.46398 42.4005      1.93752   41.2988      1.92016   112.802     88.3429     40.3043     268.343     
1 1 1 6  5  23 o 165.703 2.75986 51.6569      2.61634   49.2088      2.10598   170.729     327.931     49.2865     327.931     
1 1 1 6  5  24 o 220.189 2.5512  90.8343      2.91767   87.1997      2.9054    245.573     189.043     88.3419     189.043     
1 1 1 6  5  25 o 54.1864 2.57879 5.89911      0.727922  4.95347      0.70943   19.7934     183.395     14.3144     3.39478     
1 1 1 6  5  26 o 161.59  2.16508 49.4081      1.81701   46.4686      1.80897   101.544     225.191     94.4325     45.1911     
1 1 1 6  5  27 o 129.522 2.17792 31.5079      1.46588   30.0968      1.45818   154.911     147.612     82.3447     147.612     
1 1 1 6  5  28 o 477.384 2.80623 419.748      6.94725   418.165      6.94111   500.362     297.579     114.972     297.579     
1 1 1 6  5  29 o 53.9456 2.57944 5.66647      0.744695  5.08632      0.68975   28.3259     288.462     4.22504     288.462     
1 1 1 6  5  30 o 80.5467 2.48261 11.5413      1.02997   12.3551      1.03745   9.63736     292.006     122.535     112.006     
1 1 1 6  5  31 o 133.096 2.22064 32.1413      1.5283    32.9396      1.53573   127.136     120.844     16.7641     120.844     
1 1 1 6  5  32 o 98.1032 2.273   17.7431      1.15418   17.661       1.15446   69.7989     67.8068     33.2402     247.807     
1 1 1 6  5  33 o 114.095 2.25948 24.6781      1.34235   23.2178      1.32711   127.113     285.764     55.3666     285.764     
1 1 1 6  5  34 o 41.5971 2.91369 3.12529      0.617041  3.31273      0.622671  16.7022     56.0788     21.3776     236.079     
1 1 1 6  5  35 o 158.364 2.25541 47.184       1.85493   45.0872      1.84741   149.378     0.739316    17.5957     0.739316    
1 1 1 6  5  36 o 49.6339 2.74463 4.95984      0.703324  4.19804      0.694407  36.0282     347.961     9.30355     347.961     
1 1 1 6  5  37 o 63.7838 2.53423 7.14694      0.827995  7.92067      0.839885  28.452      51.0772     51.7302     231.077     
1 1 1 6  5  38 f 70.4945 2.84203 9.69328      1.03716   8.77869      1.0296    64.9252     135.159     0           0           
1 1 1 6  5  39 o 105.823 2.48664 20.2121      1.35421   21.2748      1.36973   95.8878     62.2931     7.00656     62.2931     
1 1 1 6  5  40 o 31.399  3.78843 2.29675      0.583751  1.54011      0.591603  20.51       101.311     5.81137     101.311     
1 1 1 6  5  41 o 56.4463 2.64717 6.68106      0.781103  5.26646      0.753517  36.1026     303.046     23.0755     123.046     
1 1 1 6  5  42 o 119.575 2.35333 27.6664      1.46458   25.5593      1.44874   105.096     44.8837     3.32192     44.8837     
1 1 1 6  5  43 o 56.8783 2.66363 6.11147      0.783408  6.05555      0.778406  58.996      242.845     23.3205     242.845     
1 1 1 6  5  44 o 24.6332 4.065   2.39241      0.650112  -0.0189191   0.606958  7.69809     358.427     22.828      178.427     
1 1 1 6  5  45 o 75.97   2.70599 11.2517      1.07269   10.5607      1.05141   72.1023     149.807     15.5697     149.807     
1 1 1 6  5  46 o 96.2037 2.63766 17.9814      1.31359   17.0024      1.31135   86.8811     27.3853     10.8593     27.3853     
1 1 1 6  5  47 f 40.7865 3.29674 4.20604      0.708554  2.40368      0.631663  29.547      93.1318     0           0           
1 1 1 6  5  48 o 11.9363 3.67286 -0.435051    0.435771  0.222501     0.458099  0.412547    130.53      9.27198     310.53      
1 1 1 6  5  49 o 11.2102 3.53908 0.168906     0.452721  -0.744849    0.455228  0.222734    285.824     5.09764     105.824     
1 1 1 6  5  50 f 27.3455 4.72542 1.49344      0.631566  1.77162      0.697583  25.0357     59.9308     0           0           
1 1 1 6  5  51 o 18.4117 4.55247 0.682869     0.53002   0.721435     0.540623  8.63912     263.844     8.27574     83.8442     
1 1 1 6  5  52 o 17.6228 4.58554 0.392682     0.578606  0.82653      0.552942  5.07984     63.9052     15.1454     243.905     
1 1 1 6  5  53 o 31.5053 4.36109 2.72726      0.706406  1.75647      0.666005  25.2352     197.418     1.82244     197.418     
1 1 1 6  5  54 o 31.0411 4.26207 2.24842      0.655752  2.1058       0.665978  29.4766     282.566     12.5421     282.566     
1 1 1 6  5  55 o 19.4468 4.39845 -0.187687    0.659968  1.65245      0.62142   10.843      237.872     4.61637     57.8719     
1 1 1 6  5  56 o 11.9736 3.91908 -0.325515    0.573991  -0.0196138   0.581752  1.44266     30.7247     2.72247     210.725     
1 1 1 6  5  57 o 11.8443 3.88071 -0.0639392   0.560686  -0.230472    0.574439  1.74863     244.257     3.20767     64.2572     
1 1 1 6  5  58 o 19.2745 4.8878  1.19618      0.632407  0.851492     0.620234  9.10909     326.962     6.75631     146.962     
1 1 1 6  5  59 o 10.9245 3.6385  0.0810272    0.556528  -0.760012    0.532869  0.0080335   319.103     1.20882     319.103     
1 1 1 6  5  60 o 13.2238 4.26151 -0.745707    0.637514  0.682774     0.716035  2.56035     139.412     5.57535     319.412     
1 1 1 6  5  61 o 13.6785 4.28513 -0.214271    0.687307  0.573085     0.592933  2.40266     32.2549     0.615276    212.255     
1 1 1 6  6  0  o 20.4738 3.41379 0.884988     0.314666  0.884988     0.314666  51.4252     2.42145e-05 108.523     2.42145e-05 
1 1 1 6  6  1  o 88.935  1.99053 13.2862      0.909239  15.7961      0.919362  33.9395     268.896     40.7354     88.8963     
1 1 1 6  6  2  o 197.641 2.03744 71.1679      2.08743   72.0501      2.08719   134.44      127.328     99.6857     307.328     
1 1 1 6  6  3  o 265.489 2.16376 125.387      2.97183   133.102      2.98197   170.648     170.936     165.071     350.936     
1 1 1 6  6  4  o 474.496 2.68636 414.535      6.61082   411.096      6.60384   512.845     8.24234     109.552     8.24234     
1 1 1 6  6  5  o 99.5199 1.98842 17.7951      1.0242    18.5493      1.02496   54.2093     140.622     7.32265     320.622     
1 1 1 6  6  6  o 379.24  2.41969 266.881      4.76274   260.492      4.75025   326.792     99.6807     75.6669     279.681     
1 1 1 6  6  7  o 218.38  2.16461 85.6421      2.36571   89.2266      2.5347    122.662     112.686     165.988     292.686     
1 1 1 6  6  8  o 310.129 2.26775 178.107      3.65055   174.548      3.64046   383.502     200.272     183.798     200.272     
1 1 1 6  6  9  o 144.253 2.02653 39.0406      1.51941   37.2614      1.51083   107.234     45.1017     36.6803     225.102     
1 1 1 6  6  10 o 410.933 2.51804 310.65       5.36714   308.56       5.36025   303.56      190.502     182.338     10.5016     
1 1 1 6  6  11 o 664.318 3.52302 814.512      12.1327   804.439      12.1304   722.492     149.206     164.415     149.206     
1 1 1 6  6  12 o 327.948 2.48239 196.541      4.21603   197.837      4.22383   382.387     178.809     146.941     178.809     
1 1 1 6  6  13 o 171.761 2.23911 53.6789      2.1226    54.4971      1.85328   101.971     267.729     108.833     87.7295     
1 1 1 6  6  14 o 490.89  2.94934 444.669      7.50988   439.193      7.49959   451.837     178.931     35.1016     358.931     
1 1 1 6  6  15 o 510.568 3.26614 477.118      8.6464    479.233      8.64177   490.837     202.301     6.80889     202.301     
1 1 1 6  6  16 o 43.6551 2.78793 2.97703      0.615075  4.11742      0.619626  58.2555     321.753     156.531     321.753     
1 1 1 6  6  17 o 115.949 2.11129 24.036       1.26277   25.3061      1.27263   58.6202     196.93      74.7633     16.93       
1 1 1 6  6  18 o 145.264 2.1045  37.9709      1.58086   39.4236      1.58819   122.014     106.661     2.80253     286.661     
1 1 1 6  6  19 o 261.936 2.31155 125.239      3.23709   126.437      3.03576   243.874     156.362     2.87222     156.362     
1 1 1 6  6  20 o 35.8021 3.21875 2.31481      0.635136  2.46822      0.520343  11.325      92.1202     28.3661     92.1202     
1 1 1 6  6  21 o 86.5992 2.40272 13.4296      1.11274   14.1356      1.03626   34.397      176.304     1.83124     356.304     
1 1 1 6  6  22 o 137.799 2.55084 34.0409      1.72902   35.7172      1.91095   151.292     82.5675     89.1833     82.5675     
1 1 1 6  6  23 o 66.447  2.81391 7.94387      0.921001  8.33241      1.0082    2.87645     318.663     95.7308     138.663     
1 1 1 6  6  24 f 223.137 2.66204 92.7521      2.9548    90.1282      3.19465   178.298     184.619     0           0           
1 1 1 6  6  25 o 176.415 2.31271 58.1493      2.12095   56.1272      2.10853   158.697     315.259     7.06935     135.259     
1 1 1 6  6  26 f 54.4465 2.45523 5.252        0.688706  5.68496      0.689082  101.93      209.224     0           0           
1 1 1 6  6  27 o 98.072  2.20497 18.6592      1.1258    16.7225      1.11139   93.3546     22.054      17.8854     22.054      
1 1 1 6  6  28 o 233.87  2.25397 97.9156      2.72348   103.014      2.74052   237.178     60.9876     45.5382     60.9876     
1 1 1 6  6  29 o 111.165 2.21081 21.2845      1.26165   24.1883      1.2809    113.74      2.20134     34.0246     2.20134     
1 1 1 6  6  30 o 133.958 2.37492 33.5997      1.65019   32.3691      1.64628   115.347     71.6743     9.20035     251.674     
1 1 1 6  6  31 o 35.2082 3.51108 3.18164      0.614588  1.60992      0.584576  5.13264     95.6043     25.2495     275.604     
1 1 1 6  6  32 o 108.308 2.27011 20.7953      1.26696   22.3689      1.27832   118.758     226.925     49.1762     226.925     
1 1 1 6  6  33 o 192.405 2.26025 69.4841      2.25784   66.6267      2.25009   188.579     289.708     31.4059     289.708     
1 1 1 6  6  34 o 62.0232 2.51431 7.91082      0.806696  6.33732      0.796512  27.2826     16.9312     48.5886     196.931     
1 1 1 6  6  35 o 116.983 2.28095 25.8033      1.38444   24.606       1.37876   103.493     62.5        2.76131     62.4998     
1 1 1 6  6  36 o 66.4565 2.49562 8.39425      0.857572  7.93614      0.855197  60.2107     298.385     12.4803     298.385     
1 1 1 6  6  37 o 84.6941 2.54365 12.727       1.10828   13.8175      1.11902   87.2204     189.947     29.6204     189.947     
1 1 1 6  6  38 o 11.7265 3.68507 -0.345702    0.471897  -0.0255665   0.439647  43.9659     94.2614     103.552     94.2614     
1 1 1 6  6  39 o 64.3627 2.51828 7.7407       0.841167  7.64952      0.832636  50.4124     349.871     8.74793     169.871     
1 1 1 6  6  40 o 25.9952 3.96008 0.615678     0.517201  2.12966      0.565526  10.9272     33.1011     10.2826     213.101     
1 1 1 6  6  41 o 98.5998 2.39035 18.7555      1.21548   17.4089      1.22271   106.272     44.1805     43.2517     44.1805     
1 1 1 6  6  42 o 54.0794 2.68223 5.16931      0.739294  5.82797      0.753563  48.9544     357.865     7.85206     357.865     
1 1 1 6  6  43 o 29.0563 3.77787 1.9815       0.559482  1.37164      0.533311  13.5145     185.628     18.8779     5.62846     
1 1 1 6  6  44 o 25.353  4.70303 1.46359      0.62356   1.1795       0.632702  15.9665     174.969     5.80988     354.969     
1 1 1 6  6  45 o 31.4852 3.93565 1.78388      0.603906  2.17654      0.632784  32.628      53.4873     18.2787     53.4873     
1 1 1 6  6  46 o 68.2647 2.82092 9.4302       0.99651   8.33538      0.98851   65.2352     317.641     16.1317     317.641     
1 1 1 6  6  47 o 69.3099 2.74511 9.3392       1.01429   9.01151      0.950104  59.0882     115.894     2.50572     115.894     
1 1 1 6  6  48 o 42.9824 3.20153 2.88925      0.679928  4.4152       0.698096  34.119      143.819     1.64726     323.819     
1 1 1 6  6  49 o 53.0652 2.92761 6.89698      0.811042  4.19773      0.757095  50.9653     112.399     15.6081     112.399     
1 1 1 6  6  50 o 20.8861 4.67449 0.576835     0.574157  1.28349      0.605052  8.96984     192.719     12.7634     12.7193     
1 1 1 6  6  51 o 16.0019 4.16151 0.881594     0.519128  -0.183684    0.51869   7.76313     253.398     3.59231     73.3982     
1 1 1 6  6  52 o 26.6141 4.39162 1.32322      0.596601  1.84761      0.600481  19.6729     140.491     0.925801    320.491     
1 1 1 6  6  53 o 18.9639 4.58747 0.525996     0.567918  1.08084      0.557898  13.3353     30.9152     1.90265     30.9152     
1 1 1 6  6  54 o 10.8605 3.54018 0.10484      0.490169  -0.761763    0.479914  0.254913    184.156     0.670905    4.15639     
1 1 1 6  6  55 o 30.1597 5.10527 3.02904      0.798718  1.68795      0.832949  24.2027     17.9544     3.93502     17.9544     
1 1 1 6  6  56 o 11.1359 3.64531 0.18493      0.524908  -0.959159    0.543298  0.864738    136.798     3.21655     316.798     
1 1 1 6  6  57 o 28.3638 4.49603 1.06674      0.704315  3.15227      0.698342  21.3757     306.404     1.47521     306.404     
1 1 1 6  6  58 f 24.5082 5.29075 1.93926      0.729305  1.5678       0.75404   13.3978     160.222     0           0           
1 1 1 6  6  59 o 13.4292 4.31404 -0.0253177   0.688366  0.241811     0.631186  1.02056     276.07      11.9424     96.0704     
1 1 1 6  6  60 o 30.9097 5.52466 2.54126      0.79928   3.28637      0.97294   18.1537     214.383     8.5593      34.3827     
1 1 1 6  6  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  7  0  o 635.034 3.1801  739.401      10.4669   739.401      10.4669   640.082     5.20434e-06 43.6086     5.20435e-06 
1 1 1 6  7  1  o 274.976 2.1721  141.343      3.10036   135.908      3.09097   248.755     263.466     23.0815     83.4655     
1 1 1 6  7  2  o 255.88  2.13183 122.818      2.83223   117.269      2.8221    208.822     161.807     65.8126     341.807     
1 1 1 6  7  3  o 89.0569 2.00941 15.4663      0.930152  13.6687      0.92058   34.5511     335.245     35.9621     155.245     
1 1 1 6  7  4  o 535.323 2.8657  532.001      7.9579    518.951      7.94536   459.138     49.4557     116.109     229.456     
1 1 1 6  7  5  o 221.326 2.16164 89.005       2.39399   90.5978      2.56437   220.289     291.626     31.8807     291.626     
1 1 1 6  7  6  o 143.057 2.00677 37.09        1.48828   37.9437      1.4878    141.136     24.2546     73.6221     24.2546     
1 1 1 6  7  7  o 132.687 2.00338 32.7828      1.37877   31.7691      1.37684   41.4114     20.8384     153.532     200.838     
1 1 1 6  7  8  o 338.187 2.33005 209.411      4.08594   209.946      4.0833    305.247     180.444     33.547      0.443726    
1 1 1 6  7  9  o 235.667 2.26895 101.02       2.7702    102.624      2.77321   173.159     303.273     95.2678     123.273     
1 1 1 6  7  10 o 399.414 2.66099 296.817      5.5125    288.242      5.50534   447.24      307.595     134.457     307.595     
1 1 1 6  7  11 o 200.975 2.21747 74.7714      2.30797   73.332       2.31201   255.331     269.607     191.48      269.607     
1 1 1 6  7  12 o 73.2284 2.15715 9.32275      0.814135  10.3879      0.818303  18.2543     307.335     139.251     307.335     
1 1 1 6  7  13 o 91.3669 2.24689 15.376       1.06451   15.2718      1.06054   14.7738     118.053     110.881     298.053     
1 1 1 6  7  14 o 132.804 2.21282 32.9713      1.52583   31.7087      1.52046   56.1383     321.029     37.895      321.029     
1 1 1 6  7  15 o 427.436 2.98756 339.225      6.63008   331.047      6.60819   339.356     219.898     133.398     39.8981     
1 1 1 6  7  16 o 372.03  2.61835 254.016      5.05365   253.68       5.0451    335.336     201.945     31.5695     21.9445     
1 1 1 6  7  17 o 101.998 2.12828 19.6375      1.12435   18.5584      1.12306   61.7266     260.461     14.904      80.4613     
1 1 1 6  7  18 o 278.486 2.26523 142.045      3.27068   142.434      3.26928   299.401     301.667     84.5968     301.667     
1 1 1 6  7  19 o 278.07  2.26682 142.436      3.26981   141.225      3.26494   288.632     213.177     64.0239     213.177     
1 1 1 6  7  20 o 175.319 2.27026 55.9977      2.06687   56.7766      2.05934   175.431     220.351     42.559      220.351     
1 1 1 6  7  21 o 49.6919 2.57105 4.65938      0.660054  4.45417      0.655128  10.1472     144.998     57.035      144.998     
1 1 1 6  7  22 f 196.996 2.24132 69.429       2.20614   73.0193      2.37138   182.069     122.139     0           0           
1 1 1 6  7  23 o 79.1866 2.74353 11.218       1.06794   11.8746      1.17723   42.0315     278.62      23.2        278.62      
1 1 1 6  7  24 o 217.056 2.55622 85.2677      2.86889   87.7834      2.88301   172.303     203.772     57.7841     23.7724     
1 1 1 6  7  25 o 80.0892 2.40406 12.2013      1.06621   11.4052      0.924153  55.7453     184.472     41.1538     184.472     
1 1 1 6  7  26 o 195.208 2.27002 70.7799      2.37062   69.1693      2.22242   202.482     234.926     47.9328     234.926     
1 1 1 6  7  27 o 87.1055 2.3988  13.8884      1.14123   14.0293      1.01645   42.0854     201.946     68.3057     21.946      
1 1 1 6  7  28 o 135.065 2.25185 34.0218      1.62036   32.9933      1.53264   137.029     342.091     33.6792     342.091     
1 1 1 6  7  29 o 29.7809 3.54587 2.11345      0.517238  1.28977      0.521257  9.35969     327.504     46.4955     327.504     
1 1 1 6  7  30 o 134.798 2.36532 32.6777      1.65542   34.126       1.64789   124.138     190.204     7.50998     190.204     
1 1 1 6  7  31 o 213.707 2.52693 84.667       2.69304   83.2734      2.89975   204.145     182.016     21.3056     182.016     
1 1 1 6  7  32 o 46.9536 2.77865 3.47515      0.640654  4.74659      0.693641  29.1384     195.863     1.429       15.8632     
1 1 1 6  7  33 o 144.676 2.25207 40.4147      1.69205   36.5947      1.68308   135.694     87.356      14.6463     87.356      
1 1 1 6  7  34 o 48.2061 2.73952 4.28401      0.677511  4.335        0.680071  11.3463     151.313     52.9932     331.313     
1 1 1 6  7  35 o 121.852 2.28546 27.2521      1.44257   27.4563      1.44201   96.1743     130.984     21.6983     310.984     
1 1 1 6  7  36 o 93.2025 2.35177 16.3361      1.13268   15.7322      1.1357    99.5776     310.439     39.666      310.439     
1 1 1 6  7  37 o 97.6414 2.67954 18.1552      1.36705   17.1726      1.34002   72.3395     49.3449     26.2809     229.345     
1 1 1 6  7  38 o 129.897 2.46536 32.5936      1.6694    29.9028      1.64618   129.392     26.4606     31.3211     26.4606     
1 1 1 6  7  39 o 114.519 2.33148 22.8304      1.36886   25.8021      1.39373   125.476     13.022      52.4512     13.022      
1 1 1 6  7  40 f 69.1936 2.68118 7.89861      0.939095  10.0369      0.969385  69.9252     100.867     0           0           
1 1 1 6  7  41 o 61.4927 2.66386 6.42694      0.808052  7.76858      0.881604  63.5817     299.019     24.6873     299.019     
1 1 1 6  7  42 o 99.4764 2.39621 18.0616      1.22863   18.8887      1.23868   86.0503     91.9181     1.29092     91.9181     
1 1 1 6  7  43 o 83.3181 2.82124 12.528       1.21171   13.7042      1.21634   96.9902     324.338     53.0351     324.338     
1 1 1 6  7  44 o 37.632  3.70577 2.46059      0.699057  3.10742      0.697811  19.2432     60.9397     23.6611     240.94      
1 1 1 6  7  45 o 17.1099 4.31927 0.117188     0.507334  0.820276     0.523203  7.95348     181.502     3.30802     1.50198     
1 1 1 6  7  46 o 22.3995 4.18763 1.62118      0.551974  0.426432     0.531167  16.6876     270.918     2.63393     270.918     
1 1 1 6  7  47 o 23.1336 4.42687 1.36922      0.560374  0.881874     0.542001  15.0361     103.038     3.80631     283.038     
1 1 1 6  7  48 o 27.2914 4.01667 1.56835      0.556874  1.51276      0.542601  16.2696     200.529     9.79364     20.5286     
1 1 1 6  7  49 o 30.8329 4.01053 2.70916      0.620089  1.32755      0.59821   26.2616     39.9398     5.21448     39.9398     
1 1 1 6  7  50 o 18.8214 4.4515  0.993016     0.537443  0.471332     0.514169  11.2476     135.904     2.19231     315.904     
1 1 1 6  7  51 o 17.392  4.56257 0.291119     0.552388  0.860439     0.578324  10.3243     265.578     1.39147     265.578     
1 1 1 6  7  52 f 11.6637 3.54078 -1.07078     0.445563  0.459714     0.470966  6.93094     30.6499     0           0           
1 1 1 6  7  53 o 12.314  3.81009 0.388592     0.512293  -0.611711    0.491741  1.91811     88.7858     0.930959    268.786     
1 1 1 6  7  54 o 11.794  3.8284  -0.0713048   0.547606  -0.232617    0.518343  1.54809     54.4129     3.19552     234.413     
1 1 1 6  7  55 o 13.6709 4.23494 0.195903     0.557023  0.147241     0.590035  2.48025     244.261     23.1248     244.261     
1 1 1 6  7  56 o 28.2314 4.39378 1.04835      0.653454  3.01646      0.679636  22.3793     65.9031     3.62106     65.9031     
1 1 1 6  7  57 o 26.1565 4.88895 1.62527      0.701117  2.04275      0.659984  19.1442     280.747     1.49396     280.747     
1 1 1 6  7  58 o 12.2867 3.92285 0.40818      0.559424  -0.645564    0.581038  0.795655    18.7289     6.01288     198.729     
1 1 1 6  7  59 o 15.4358 4.56449 0.794853     0.624115  0.238427     0.632347  3.41176     244.409     0.380501    64.4092     
1 1 1 6  7  60 o 14.7303 4.28351 -0.765592    0.684087  1.06845      0.610316  5.27099     187.346     2.63993     7.34569     
1 1 1 6  7  61 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  8  0  o 192.533 2.04573 67.9907      2.04063   67.9907      2.04063   120.497     180         132.458     1.12985e-05 
1 1 1 6  8  1  o 78.7174 2.03507 11.9144      0.832413  10.8467      0.824525  6.00946     116.377     125.507     116.377     
1 1 1 6  8  2  o 494.678 2.74127 452.644      7.03187   444.742      7.02615   483.066     341.497     15.3214     341.497     
1 1 1 6  8  3  o 464.197 2.65209 393.516      6.37578   396.654      6.38715   496.636     198.972     103.475     198.972     
1 1 1 6  8  4  o 667.074 3.28996 809.898      11.3674   822.32       11.3846   675.754     72.8839     65.4131     72.8839     
1 1 1 6  8  5  o 169.919 2.01804 52.6172      1.77706   53.2403      1.77784   148.138     186.084     6.1198      6.08423     
1 1 1 6  8  6  o 155.357 2.00581 44.5303      1.61638   43.9614      1.61418   87.9879     81.6621     103.34      261.662     
1 1 1 6  8  7  o 260.135 2.24569 125.538      2.93258   122.592      3.11835   332.42      60.6779     190.282     60.6779     
1 1 1 6  8  8  o 342.343 2.49936 216.132      4.43484   213.639      4.43563   261.359     269.684     128.431     89.6842     
1 1 1 6  8  9  o 460.534 2.83206 390.751      6.75999   387.108      6.76141   501.416     358.311     124.699     358.311     
1 1 1 6  8  10 o 205.368 2.20678 76.4472      2.34509   78.2065      2.35319   242.239     259.81      123.028     259.81      
1 1 1 6  8  11 o 50.987  2.30229 4.3977       0.603871  5.19062      0.603347  45.5273     329.302     141.946     329.302     
1 1 1 6  8  12 o 99.6128 2.24026 17.386       1.1529    19.0562      1.15598   3.29502     188.97      0.92913     188.97      
1 1 1 6  8  13 o 279.664 2.38405 142.383      3.45809   144.449      3.45389   204.25      247.509     116.081     67.5094     
1 1 1 6  8  14 f 148.519 2.22402 40.3855      1.71511   40.5076      1.70926   140.596     279.969     0           0           
1 1 1 6  8  15 o 136.559 2.22709 35.6589      1.58399   32.7657      1.56752   75.6647     344.744     86.0166     164.744     
1 1 1 6  8  16 o 217.924 2.2231  86.6108      2.42704   87.5794      2.59362   237.232     3.85527     82.5184     3.85527     
1 1 1 6  8  17 o 156.625 2.09481 43.754       1.69516   46.2409      1.70561   126.604     105.018     19.9758     285.018     
1 1 1 6  8  18 o 328.862 2.35792 201.56       4.02581   195.261      4.01266   293.6       268.928     26.5163     88.928      
1 1 1 6  8  19 o 147.234 2.23506 40.1143      1.708     39.4235      1.70354   95.3863     95.3101     69.5584     275.31      
1 1 1 6  8  20 o 261.526 2.38683 124.301      3.23489   126.728      3.2363    277.075     357.208     72.3041     357.208     
1 1 1 6  8  21 o 133.054 2.12689 31.8434      1.46333   33.1283      1.47019   93.1158     98.027      50.1068     278.027     
1 1 1 6  8  22 o 106.17  2.31295 21.4286      1.27282   20.0027      1.26896   96.115      22.9764     11.4827     22.9764     
1 1 1 6  8  23 o 107.579 2.50443 20.1605      1.3876    22.4194      1.39937   42.5985     252.79      109.367     72.7895     
1 1 1 6  8  24 o 169.044 2.50513 52.623       2.19357   52.345       2.19666   146.792     243.972     15.7631     63.9716     
1 1 1 6  8  25 o 82.9255 2.31226 14.123       1.04648   11.2536      0.937239  75.555      313.376     14.2985     313.376     
1 1 1 6  8  26 o 146.653 2.16373 40.1322      1.64805   38.8539      1.64142   131.979     222.823     0.60095     42.8238     
1 1 1 6  8  27 o 154.999 2.17475 43.7424      1.74443   44.4956      1.75014   137.416     218.811     4.91125     38.811      
1 1 1 6  8  28 f 93.8656 2.22807 16.2026      1.08138   16.1994      1.08373   116.44      246.146     0           0           
1 1 1 6  8  29 o 36.6307 2.90911 2.30694      0.540246  2.69982      0.542405  0.364836    196.929     46.3746     16.9293     
1 1 1 6  8  30 o 139.773 2.20726 34.9714      1.59254   36.8212      1.6054    119.094     341.796     12.0943     161.796     
1 1 1 6  8  31 o 80.3933 2.54759 13.0374      1.06156   10.834       1.05031   83.7825     211.527     35.3634     211.527     
1 1 1 6  8  32 o 23.223  4.33536 0.693691     0.550499  1.36493      0.540042  8.12316     95.5637     29.9259     95.5637     
1 1 1 6  8  33 o 79.5484 2.4674  11.5124      1.0448    11.8264      0.983117  61.7698     92.6656     10.53       272.666     
1 1 1 6  8  34 o 76.8547 2.46874 10.7245      1.00039   11.08        0.960159  63.8191     247.462     0.762714    67.4616     
1 1 1 6  8  35 o 107.128 2.43527 20.5932      1.33914   21.7703      1.36174   103.101     213.78      20.1556     213.78      
1 1 1 6  8  36 o 20.3251 4.28301 0.785967     0.484541  0.783296     0.485503  6.85512     342.059     36.4089     342.059     
1 1 1 6  8  37 o 36.5802 3.5605  1.95758      0.624316  3.201        0.665721  12.9565     316.327     33.0028     136.327     
1 1 1 6  8  38 o 58.6734 2.65645 6.29748      0.779734  6.5257       0.827564  39.2675     6.58993     20.8542     186.59      
1 1 1 6  8  39 o 42.8003 2.9329  3.43234      0.625552  3.45984      0.659142  40.9741     191.246     27.7281     191.246     
1 1 1 6  8  40 o 88.9646 2.57345 14.6149      1.17738   14.9033      1.19114   71.8515     264.382     9.21739     84.3816     
1 1 1 6  8  41 o 40.8379 3.08364 3.21438      0.616995  3.12972      0.666139  39.1419     64.284      14.036      64.284      
1 1 1 6  8  42 o 43.91   3.03953 3.46113      0.682914  3.89316      0.680604  27.0997     178.976     18.7907     358.976     
1 1 1 6  8  43 o 46.5123 3.25778 3.77468      0.768605  4.55934      0.775766  36.8123     64.7362     3.56846     244.736     
1 1 1 6  8  44 o 41.3819 3.05358 3.49476      0.648617  3.08455      0.640284  29.783      127.432     8.83293     307.432     
1 1 1 6  8  45 o 29.2192 3.99261 1.24009      0.554357  2.26963      0.610454  29.4484     37.5162     18.6755     37.5162     
1 1 1 6  8  46 o 28.9335 4.29967 2.48701      0.671509  1.07659      0.597473  6.54441     249.268     33.4816     69.2684     
1 1 1 6  8  47 o 25.6425 4.41306 1.39788      0.576509  1.37125      0.585487  22.7536     256.937     10.7585     256.937     
1 1 1 6  8  48 o 24.1619 4.31214 1.60388      0.561011  0.888808     0.544186  14.1084     272.61      8.02971     92.6104     
1 1 1 6  8  49 o 50.7355 3.02843 4.03015      0.765153  6.16859      0.783763  49.7893     189.672     17.7983     189.672     
1 1 1 6  8  50 o 11.2724 3.63929 -0.175229    0.474445  -0.222718    0.471732  0.320383    136.044     0.770006    316.044     
1 1 1 6  8  51 o 15.4798 4.39983 0.279481     0.542671  0.470179     0.542332  6.93327     15.4047     4.98875     195.405     
1 1 1 6  8  52 o 50.1378 3.13085 5.06945      0.803197  5.17474      0.807439  43.3413     347.116     6.74878     347.116     
1 1 1 6  8  53 o 16.5147 4.45477 0.704475     0.541659  0.422438     0.527207  8.90284     146.979     0.842408    146.979     
1 1 1 6  8  54 o 11.8236 3.86861 0.0155624    0.58343   -0.437314    0.542413  0.212053    132.203     11.6264     312.202     
1 1 1 6  8  55 o 14.9973 4.27234 0.745589     0.548704  0.025635     0.528061  5.91546     157.159     3.55695     337.159     
1 1 1 6  8  56 f 14.9387 4.37712 0.510179     0.561006  0.358269     0.550465  9.11081     239.252     0           0           
1 1 1 6  8  57 o 17.2939 4.77597 0.684333     0.62985   0.862186     0.614466  7.81607     50.1777     3.30006     230.178     
1 1 1 6  8  58 o 15.7906 4.58976 0.305446     0.581056  0.836807     0.642271  5.25573     226.52      4.60414     46.5197     
1 1 1 6  8  59 o 13.7233 4.25297 0.725345     0.628734  -0.402735    0.612921  2.63491     102.454     1.87112     282.454     
1 1 1 6  8  60 o 17.4906 4.64301 1.36545      0.638597  0.270225     0.609595  7.81344     158.631     6.30743     338.631     
1 1 1 6  9  0  o 716.71  3.45044 941.922      12.8175   941.922      12.8175   861.415     1.67494e-06 338.715     1.67494e-06 
1 1 1 6  9  1  o 648.748 3.2135  776.583      10.8108   767.205      10.8019   674.479     144.5       103.043     144.5       
1 1 1 6  9  2  o 261.681 2.14805 129.202      2.91945   121.926      2.9065    267.341     325.838     47.579      325.838     
1 1 1 6  9  3  o 669.369 3.28706 829.47       11.414    814.115      11.3959   743.609     183.258     202.542     183.258     
1 1 1 6  9  4  o 67.2573 2.10932 7.77729      0.730127  8.85872      0.734876  0.813546    163.99      40.4269     343.99      
1 1 1 6  9  5  o 313.447 2.34268 183.779      3.6858    176.52       3.91753   272.759     71.8202     46.4751     251.82      
1 1 1 6  9  6  o 484.279 2.89626 435.591      7.26978   424.614      7.2703    448.891     169.327     27.0261     349.327     
1 1 1 6  9  7  o 549.004 3.11734 554.396      8.87154   551.209      8.87112   669.795     238.525     293.143     238.525     
1 1 1 6  9  8  o 181.821 2.18077 59.1888      2.05066   62.0479      2.05938   135.581     33.1456     57.7771     213.146     
1 1 1 6  9  9  o 517.966 2.8183  491.516      7.57166   492.53       7.56219   480.472     52.5847     26.4294     232.585     
1 1 1 6  9  10 o 38.978  2.54191 2.76645      0.509692  2.85319      0.505722  29.946      296.824     76.6649     296.824     
1 1 1 6  9  11 o 181.965 2.21345 60.1541      2.08855   61.2711      2.08688   126.125     294.54      77.4533     114.54      
1 1 1 6  9  12 o 54.999  2.41965 6.22692      0.691659  4.94735      0.675722  10.8706     141.356     50.0956     141.356     
1 1 1 6  9  13 o 322.664 2.47382 193.399      4.14453   188.507      4.13036   297.63      280.532     9.03758     100.532     
1 1 1 6  9  14 o 284.501 2.38836 145.68       3.5186    151.251      3.52498   295.17      122.246     63.5664     122.246     
1 1 1 6  9  15 o 144.526 2.23258 36.8819      1.66862   39.764       1.67499   92.2503     346.602     67.5645     166.602     
1 1 1 6  9  16 o 256.673 2.2083  118.382      2.93076   123.319      2.94483   201.598     144.408     71.4944     324.408     
1 1 1 6  9  17 o 93.7035 2.1244  15.8434      1.02813   16.4027      1.03278   47.0107     8.8492      7.39296     8.8492      
1 1 1 6  9  18 f 95.3756 2.27477 16.5946      1.1247    16.8225      1.12125   122.382     148.924     0           0           
1 1 1 6  9  19 o 107.632 2.2539  20.2383      1.2505    22.3388      1.25984   59.1543     324.348     65.4648     144.348     
1 1 1 6  9  20 o 213.399 2.17241 81.9641      2.39759   85.1814      2.40807   194.28      134.986     3.60133     314.986     
1 1 1 6  9  21 o 111.541 2.1366  21.966       1.22938   23.7484      1.23793   104.746     32.737      16.0284     32.7371     
1 1 1 6  9  22 o 115.171 2.30153 23.3076      1.36559   25.4564      1.37818   126.513     16.8234     51.9824     16.8234     
1 1 1 6  9  23 o 82.0098 2.46618 13.5198      1.09327   11.2799      0.998673  52.2668     331.11      36.4244     151.11      
1 1 1 6  9  24 o 65.7177 2.56821 8.308        0.832388  7.61727      0.904394  48.2352     250.872     4.15687     70.872      
1 1 1 6  9  25 o 111.349 2.35036 22.7188      1.35239   22.8694      1.35779   68.878      95.4014     60.8961     275.401     
1 1 1 6  9  26 o 10.7081 3.32408 0.0651542    0.389288  -0.313388    0.333874  31.8196     66.0123     67.1873     66.0123     
1 1 1 6  9  27 o 97.6884 2.21842 17.0415      1.12004   18.0567      1.12313   89.6954     168.455     10.945      168.455     
1 1 1 6  9  28 o 30.7605 3.37637 2.31285      0.507142  1.32141      0.507077  0.524988    153.428     18.1752     153.428     
1 1 1 6  9  29 o 228.481 2.26626 94.6866      2.67942   97.149       2.68846   226.763     44.9124     39.7091     44.9124     
1 1 1 6  9  30 o 143.056 2.21852 39.8955      1.65534   35.3834      1.63181   146.09      203.122     37.8373     203.122     
1 1 1 6  9  31 o 135.997 2.23217 33.6982      1.57535   34.2978      1.57168   143.137     93.6178     46.6165     93.6178     
1 1 1 6  9  32 o 53.8132 2.80566 5.31729      0.7721    5.41157      0.782155  11.5735     110.623     64.7737     290.623     
1 1 1 6  9  33 o 11.8959 3.64783 0.0459039    0.394708  -0.213813    0.449479  25.0175     303.599     55.341      303.599     
1 1 1 6  9  34 o 145.236 2.25664 39.0384      1.70063   38.6538      1.69715   106.665     295.052     43.35       115.052     
1 1 1 6  9  35 o 55.8246 2.73864 5.14208      0.774055  6.47176      0.79494   27.1105     323.778     39.9026     143.778     
1 1 1 6  9  36 o 42.7177 3.13223 3.14723      0.699499  3.71421      0.658076  27.1036     284.751     15.1133     104.751     
1 1 1 6  9  37 o 73.5953 2.60822 9.52265      0.983909  10.6164      0.998181  78.5551     227.872     32.6702     227.872     
1 1 1 6  9  38 o 71.5574 2.4494  9.20579      0.90729   9.82797      0.903484  61.4014     268.573     1.0371      268.573     
1 1 1 6  9  39 o 19.8812 4.15565 0.721369     0.474578  0.808991     0.443745  2.88487     99.2253     31.8516     99.2253     
1 1 1 6  9  40 o 48.9773 3.05149 4.26728      0.780576  4.82003      0.747569  51.4535     12.6865     24.2743     12.6865     
1 1 1 6  9  41 o 66.9846 2.70944 8.02819      0.921676  8.86336      0.951481  53.3511     281.062     6.87346     101.062     
1 1 1 6  9  42 f 59.8121 2.93405 6.86851      0.897665  6.7157       0.910099  54.078      170.12      0           0           
1 1 1 6  9  43 o 71.2098 2.811   9.37986      1.00135   9.83273      1.06566   70.9987     274.35      22.0833     274.35      
1 1 1 6  9  44 o 48.7872 2.8541  5.38761      0.721689  3.76418      0.693857  54.4931     49.5009     29.4615     49.5009     
1 1 1 6  9  45 o 48.78   3.02869 5.55529      0.737263  3.70244      0.74723   38.9301     60.6074     2.58435     240.608     
1 1 1 6  9  46 o 46.6316 3.61447 4.58842      0.804023  4.0362       0.898247  39.9401     310.438     3.8655      310.438     
1 1 1 6  9  47 o 12.0801 3.69954 0.349825     0.495748  -0.76193     0.451025  0.170394    252.921     11.225      72.9207     
1 1 1 6  9  48 o 40.4098 3.28872 3.3267       0.678175  3.1545       0.674109  34.779      239.982     5.08159     239.982     
1 1 1 6  9  49 o 20.4252 4.47564 0.752227     0.528599  1.04825      0.527037  13.5849     210.841     0.65166     30.8406     
1 1 1 6  9  50 o 10.5897 3.44059 -0.553712    0.439219  -0.0104465   0.44723   1.98361     59.9991     15.9506     59.9991     
1 1 1 6  9  51 o 27.0399 4.47961 2.1936       0.660216  1.1745       0.597877  26.0841     248.52      13.5099     248.52      
1 1 1 6  9  52 o 14.3042 4.23292 -0.0622039   0.511774  0.532479     0.569293  5.87484     317.026     4.02586     137.026     
1 1 1 6  9  53 o 13.037  3.98559 -0.402874    0.519443  0.455815     0.53326   2.30947     108.215     21.7981     108.215     
1 1 1 6  9  54 o 15.2612 4.05643 1.12586      0.579494  -0.767236    0.530643  5.68619     323.863     6.36044     143.863     
1 1 1 6  9  55 o 19.424  4.71727 1.29191      0.607158  0.645279     0.58072   6.66852     287.711     13.9691     107.711     
1 1 1 6  9  56 o 38.0258 3.95853 2.57478      0.716509  4.21863      0.760991  35.4623     353.964     14.4231     353.964     
1 1 1 6  9  57 o 13.7457 4.12815 0.821093     0.60095   -0.561934    0.543379  2.49187     37.2027     4.56659     217.203     
1 1 1 6  9  58 o 21.5216 5.40723 1.37282      0.718758  1.54621      0.796374  12.4616     92.5829     5.99881     92.5829     
1 1 1 6  9  59 o 13.5019 4.26086 -0.119478    0.57621   0.5702       0.652984  1.91959     299.831     11.161      119.831     
1 1 1 6  9  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  10 0  o 340.681 2.31911 212.812      4.09458   212.812      4.09458   385.626     180         116.547     180         
1 1 1 6  10 1  o 234.529 2.11582 101.955      2.57545   99.7331      2.5688    237.671     189.048     45.3279     189.048     
1 1 1 6  10 2  o 222.888 2.09317 93.4903      2.42096   88.6989      2.41469   257.469     68.4455     114.894     68.4455     
1 1 1 6  10 3  o 433.942 2.79459 350.938      5.82037   339.764      6.70501   543.628     128.948     267.962     128.948     
1 1 1 6  10 4  o 77.6492 2.44206 11.9305      0.976873  10.2561      0.979527  4.71232     103.323     90.6137     283.323     
1 1 1 6  10 5  o 318.852 2.65232 192.577      4.38927   180.395      4.37516   360.689     172.233     126.163     172.233     
1 1 1 6  10 6  o 227.586 2.44821 96.4065      2.88824   93.5553      2.88764   242.304     45.6779     71.0728     45.6779     
1 1 1 6  10 7  o 441.383 2.91083 356.199      6.89896   358.457      6.4101    497.529     61.0717     160.814     61.0717     
1 1 1 6  10 8  o 435.612 2.68328 345.72       5.84073   350.321      6.27211   434.827     189.356     45.6637     189.356     
1 1 1 6  10 9  o 241.324 2.21301 105.533      2.85514   108.047      2.67617   310.44      351.865     191.874     351.865     
1 1 1 6  10 10 f 72.7732 2.25911 9.37399      0.848296  10.0932      0.851147  110.119     2.4698      0           0           
1 1 1 6  10 11 f 57.2215 2.38171 5.57974      0.69753   6.48928      0.706612  28.3762     46.1512     0           0           
1 1 1 6  10 12 o 155.293 2.19433 43.4946      1.76519   44.9652      1.76726   132.618     70.5188     2.82504     250.519     
1 1 1 6  10 13 o 274.07  2.28779 137.733      3.14508   137.811      3.35204   291.036     257.114     77.789      257.114     
1 1 1 6  10 14 o 255.049 2.34603 119.125      3.10398   119.529      3.09924   192.656     329.244     86.1194     149.244     
1 1 1 6  10 15 o 99.0154 2.2493  17.8611      1.15426   18.1461      1.1516    38.8496     13.1018     80.6527     193.102     
1 1 1 6  10 16 o 97.7674 2.11379 17.2605      1.06842   17.8427      1.07136   59.3103     138.139     31.6238     318.139     
1 1 1 6  10 17 o 246.057 2.32745 110.87       2.97158   111.327      2.96552   230.158     284.257     7.0815      284.257     
1 1 1 6  10 18 o 210.791 2.28657 81.4332      2.50099   81.6521      2.49587   245.986     227.063     110.071     227.063     
1 1 1 6  10 19 o 123.282 2.1046  27.6121      1.34246   28.167       1.34734   108.821     241.221     0.936885    241.221     
1 1 1 6  10 20 o 178.742 2.13289 57.7923      1.97072   59.481       1.98145   167.48      66.9352     7.24959     66.9351     
1 1 1 6  10 21 o 75.0515 2.29994 9.65944      0.857619  11.0861      0.92793   20.4627     257.835     89.4744     77.8348     
1 1 1 6  10 22 o 37.5391 3.00641 2.18226      0.561069  3.10746      0.573986  4.21583     32.1062     52.9973     32.1062     
1 1 1 6  10 23 o 121.147 2.29363 27.427       1.43974   26.52        1.43808   129.798     331.847     47.1348     331.847     
1 1 1 6  10 24 o 103.142 2.31989 19.7051      1.23583   19.4141      1.24155   82.7683     223.601     15.0153     43.6012     
1 1 1 6  10 25 o 96.3144 2.37153 16.6307      1.17193   17.4992      1.1923    77.3897     88.0407     12.0767     268.041     
1 1 1 6  10 26 f 210.883 2.38763 82.8244      2.61038   80.6006      2.60924   170.349     200.54      0           0           
1 1 1 6  10 27 o 161.78  2.18842 48.3508      1.83609   47.7951      1.83431   166.861     183.88      43.6241     183.88      
1 1 1 6  10 28 o 243.281 2.28343 107.359      2.87292   110.145      2.886     183.617     207.742     74.1672     27.7415     
1 1 1 6  10 29 o 250.44  2.30617 118.902      3.0034    111.709      2.98267   267.703     112.932     83.5553     112.932     
1 1 1 6  10 30 o 65.6526 2.41362 7.57623      0.814443  8.32899      0.821589  53.6501     58.1635     2.0373      58.1634     
1 1 1 6  10 31 o 51.5546 2.6579  5.66222      0.703693  4.23054      0.695932  35.6313     115.379     10.3854     115.379     
1 1 1 6  10 32 f 33.5734 3.42474 2.32848      0.60956   1.93412      0.548323  65.4452     208.946     0           0           
1 1 1 6  10 33 o 117.304 2.4507  25.5696      1.48457   25.1966      1.49236   103.132     125.763     1.33063     125.763     
1 1 1 6  10 34 o 99.9319 2.43598 19.5331      1.26526   17.3913      1.25213   78.6746     117.488     16.855      297.488     
1 1 1 6  10 35 o 61.618  2.63676 6.88721      0.833148  7.21382      0.843197  60.2484     231.795     17.4618     231.795     
1 1 1 6  10 36 o 27.0344 3.83957 0.770489     0.518128  2.16715      0.530735  11.3552     280.819     12.219      100.819     
1 1 1 6  10 37 o 42.8206 2.92961 3.27834      0.621275  3.61561      0.663241  30.2104     281.623     8.36968     101.623     
1 1 1 6  10 38 o 14.1686 3.86383 0.175686     0.407636  0.332304     0.400415  4.82752     98.7443     18.9047     98.7443     
1 1 1 6  10 39 o 21.5779 4.02547 0.950067     0.458913  0.892791     0.454664  5.9972      349.438     1.41452     169.438     
1 1 1 6  10 40 o 21.9194 4.23566 0.789759     0.486942  1.13176      0.510532  11.1554     274.677     2.56371     94.6765     
1 1 1 6  10 41 o 16.4861 4.0379  0.018603     0.43327   0.839875     0.488166  3.95652     170.202     4.7665      350.202     
1 1 1 6  10 42 o 28.158  3.98684 1.35491      0.548305  1.83445      0.575311  21.6366     190.368     0.104063    190.368     
1 1 1 6  10 43 f 57.2819 2.7617  6.54509      0.840746  5.92089      0.789703  29.7186     147.61      0           0           
1 1 1 6  10 44 o 7.60795 2.64663 -0.645303    0.375193  -0.804652    0.352491  3.34832     248.817     9.9367      248.817     
1 1 1 6  10 45 o 20.2595 4.31194 0.53737      0.51825   1.12107      0.502218  13.3087     89.8012     0.798001    89.8012     
1 1 1 6  10 46 o 33.8662 4.22453 2.22452      0.706034  2.51605      0.722333  25.916      18.8338     1.61009     198.834     
1 1 1 6  10 47 o 19.2787 4.73486 0.94842      0.615725  0.559673     0.55156   10.8289     350.143     3.32586     170.143     
1 1 1 6  10 48 o 18.2638 4.01122 -0.155379    0.494974  1.3035       0.534952  9.37674     1.63789     5.93867     181.638     
1 1 1 6  10 49 f 28.7473 4.18394 0.998925     0.59017   2.6973       0.641639  22.3973     109.509     0           0           
1 1 1 6  10 50 o 31.1045 4.11996 2.29974      0.636044  1.89748      0.641324  23.1143     100.463     1.93342     280.463     
1 1 1 6  10 51 o 19.5312 4.62747 0.836213     0.551657  0.92569      0.552682  12.8752     53.9687     1.15597     233.969     
1 1 1 6  10 52 o 16.4207 4.61162 0.482156     0.568357  0.5906       0.603937  7.06043     351.773     6.82999     171.773     
1 1 1 6  10 53 o 22.1633 4.91404 1.50906      0.644907  0.999442     0.633973  16.7274     21.6975     5.82048     21.6975     
1 1 1 6  10 54 o 13.445  4.0802  0.486993     0.538617  -0.162196    0.521933  3.73576     329.649     4.32819     149.649     
1 1 1 6  10 55 o 13.78   4.16901 0.521644     0.539144  -0.0854285   0.564898  4.16623     117.594     3.9191      297.594     
1 1 1 6  10 56 o 22.3687 5.09654 1.52548      0.643823  1.31662      0.716427  12.7161     168.707     4.65803     348.707     
1 1 1 6  10 57 o 15.4421 4.3767  0.0418206    0.600173  0.8766       0.557205  2.18212     204.806     0.298025    24.8063     
1 1 1 6  10 58 o 20.0051 5.35201 1.59261      0.778781  0.979424     0.778895  11.8583     221.952     3.62756     221.952     
1 1 1 6  10 59 o 15.3791 4.54106 0.794674     0.629979  0.340487     0.591072  6.41249     113.166     1.30363     293.166     
1 1 1 6  11 0  o 416.858 2.88835 318.693      6.23985   318.693      6.23985   486.29      7.08282e-06 175.814     7.08282e-06 
1 1 1 6  11 1  o 329.397 2.54438 202.13       4.50176   195.861      4.18549   278.553     251.536     61.4468     71.5363     
1 1 1 6  11 2  f 122.179 2.34409 27.2082      1.46443   27.5795      1.50194   153.847     311.24      0           0           
1 1 1 6  11 3  o 483.396 3.1502  425.643      7.88914   431.77       7.89772   521.488     162.18      129.032     162.18      
1 1 1 6  11 4  o 327.232 2.79538 195.621      4.9368    197.209      4.53629   368.796     356.12      128.256     356.12      
1 1 1 6  11 5  o 365.566 2.7265  243.442      5.71779   246.814      4.53941   370.523     310.603     55.1418     310.603     
1 1 1 6  11 6  o 372.034 2.59879 257.379      5.37393   250.377      4.63138   353.3       40.3822     7.75962     40.382      
1 1 1 6  11 7  o 234.735 2.33403 99.2933      2.95371   102.825      2.71648   211.599     276.984     7.28178     96.9837     
1 1 1 6  11 8  o 193.809 2.30915 67.3764      2.41297   70.4171      2.21741   128.303     261.303     96.0432     81.3029     
1 1 1 6  11 9  o 254.666 2.50397 117.205      3.303     120.739      3.30744   225.057     4.29445     19.4333     184.294     
1 1 1 6  11 10 o 313.65  2.53536 179.153      3.94932   181.794      4.29008   340.661     350.284     100.414     350.284     
1 1 1 6  11 11 o 265.8   2.33715 127.984      3.22223   131.218      3.21757   281.335     40.4749     75.6275     40.4749     
1 1 1 6  11 12 o 211.184 2.18495 82.5589      2.31461   81.0561      2.46518   225.893     357.991     74.157      357.991     
1 1 1 6  11 13 o 110.002 2.06855 22.5811      1.17962   21.8432      1.17708   84.0022     117.894     0.875593    117.894     
1 1 1 6  11 14 o 365.423 2.58491 239.435      4.89084   250.789      4.90009   398.201     294.262     116.305     294.262     
1 1 1 6  11 15 o 182.186 2.34149 59.0853      2.28181   62.7616      2.13212   155.532     230.566     18.636      50.5662     
1 1 1 6  11 16 o 216.307 2.28445 85.2903      2.56168   86.4435      2.56109   200.261     231.352     3.91068     231.352     
1 1 1 6  11 17 o 84.432  2.29082 12.47        0.999683  13.7523      0.999966  49.7837     126.42      40.3536     306.42      
1 1 1 6  11 18 o 197.57  2.14501 71.7272      2.19605   71.5461      2.19746   184.63      118.749     6.09991     118.749     
1 1 1 6  11 19 o 173.259 2.13434 56.2322      1.92036   53.972       1.91291   140.936     27.0839     35.6308     207.084     
1 1 1 6  11 20 o 56.7093 2.32898 5.7078       0.681038  6.14601      0.681594  30.9163     284.101     7.99833     284.101     
1 1 1 6  11 21 f 206.885 2.3304  76.6356      2.49102   80.5929      2.50644   135.58      57.702      0           0           
1 1 1 6  11 22 f 242.802 2.47409 105.686      2.98851   110.959      3.23886   222.592     90.5278     0           0           
1 1 1 6  11 23 o 154.712 2.30003 45.0617      1.84356   42.879       1.84465   130.513     13.8021     17.9656     193.802     
1 1 1 6  11 24 o 98.5371 2.25421 18.3976      1.18374   17.315       1.11628   96.1572     196.215     23.8883     196.215     
1 1 1 6  11 25 o 220.596 2.22724 89.8331      2.54627   88.931       2.54728   214.453     239.051     28.667      239.051     
1 1 1 6  11 26 o 148.405 2.35685 41.4938      1.81617   39.4556      1.80925   120.398     302.867     25.4387     122.867     
1 1 1 6  11 27 o 114.551 2.2969  24.3554      1.4152    23.9082      1.30856   110.223     306.857     19.0122     306.856     
1 1 1 6  11 28 o 14.3927 3.81128 0.133858     0.39215   0.405314     0.389614  19.0837     225.383     44.5826     225.383     
1 1 1 6  11 29 o 127.972 2.22437 29.5248      1.46788   30.6883      1.48304   136.067     276.416     48.323      276.416     
1 1 1 6  11 30 o 52.6639 2.57304 5.38138      0.701826  4.88551      0.693424  23.2903     187.632     36.1094     7.63178     
1 1 1 6  11 31 o 171.54  2.24539 55.0785      1.99802   53.2259      1.99476   185.625     305.265     68.7555     305.265     
1 1 1 6  11 32 o 90.4357 2.30573 14.1413      1.06681   16.0572      1.08941   85.8832     38.7203     17.3812     38.7203     
1 1 1 6  11 33 o 40.2754 3.297   3.07181      0.6532    3.0248       0.696658  18.3482     16.0944     26.4596     196.094     
1 1 1 6  11 34 o 41.6712 3.1765  2.62424      0.626004  3.9699       0.716234  12.9749     352.524     43.0586     172.524     
1 1 1 6  11 35 o 45.5229 2.76788 3.15792      0.627414  4.65808      0.649563  25.6541     348.824     23.7969     168.824     
1 1 1 6  11 36 o 132.97  2.43252 32.5235      1.67691   33.0439      1.67347   119.81      9.64637     8.34251     9.64637     
1 1 1 6  11 37 o 62.4935 2.50851 7.19339      0.80609   7.36297      0.812428  48.8887     282.158     7.56401     102.158     
1 1 1 6  11 38 o 56.4031 2.55981 6.00537      0.741255  5.89854      0.74754   44.3685     338.344     5.69093     158.344     
1 1 1 6  11 39 o 70.365  2.4828  9.09495      0.897463  9.4335       0.907917  70.5291     234.966     22.3561     234.966     
1 1 1 6  11 40 o 35.747  3.64509 2.08686      0.639795  2.93065      0.658416  23.9315     17.197      9.83704     197.197     
1 1 1 6  11 41 o 18.8447 4.39718 0.608872     0.475802  0.758624     0.522273  9.1743      218.317     4.24745     38.3167     
1 1 1 6  11 42 o 15.9704 3.90555 0.832103     0.45888   -0.135173    0.447918  6.11248     71.4756     5.59922     251.476     
1 1 1 6  11 43 o 35.6753 3.23728 2.38273      0.583546  2.57477      0.585367  30.0116     175.829     2.83997     175.829     
1 1 1 6  11 44 o 18.6269 4.27912 0.889583     0.490686  0.477287     0.476146  9.64953     261.709     5.12753     81.7093     
1 1 1 6  11 45 o 43.0707 3.16438 4.36845      0.689759  2.94255      0.678085  42.206      208.208     15.4068     208.208     
1 1 1 6  11 46 o 17.4463 4.21837 0.995382     0.498496  -0.108532    0.580146  7.73886     320.193     1.23902     320.193     
1 1 1 6  11 47 o 40.8629 3.88277 3.44639      0.795451  3.39332      0.807544  43.1244     158.939     22.4561     158.939     
1 1 1 6  11 48 o 58.1992 2.82684 6.63967      0.846208  6.6152       0.849027  51.0278     321.053     7.93517     321.053     
1 1 1 6  11 49 o 31.492  3.99701 1.99215      0.616115  2.2483       0.640765  25.8712     127.548     3.20266     127.548     
1 1 1 6  11 50 o 16.9464 4.27626 0.200678     0.495529  0.933703     0.518368  8.8989      316.373     4.7506      136.373     
1 1 1 6  11 51 o 15.7706 4.33634 0.272115     0.507175  0.665231     0.528688  5.94749     165.71      8.62875     345.71      
1 1 1 6  11 52 o 15.149  4.52183 0.478362     0.624196  0.229487     0.597287  5.47344     290.71      6.0133      110.71      
1 1 1 6  11 53 o 18.9517 5.29169 1.05152      0.770912  0.818334     0.769405  8.02722     126.307     3.65475     126.307     
1 1 1 6  11 54 o 22.026  4.78612 1.24593      0.600138  1.29964      0.598564  14.5033     197.316     1.19034     17.3161     
1 1 1 6  11 55 o 32.2743 4.72155 2.03698      0.773101  3.34701      0.760812  27.2668     274.446     7.85676     274.446     
1 1 1 6  11 56 o 13.2812 4.16391 0.270171     0.554207  0.0803803    0.592173  1.74395     96.8801     6.46293     276.88      
1 1 1 6  11 57 o 19.1044 5.08154 1.04301      0.722374  1.12073      0.652511  10.0876     46.5998     2.26525     226.6       
1 1 1 6  11 58 o 16.5879 4.72225 0.961878     0.625654  0.514052     0.649323  6.80242     44.4164     5.9278      224.416     
1 1 1 6  11 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  12 0  o 219.852 2.40887 88.682       2.74371   88.682       2.74371   251.968     180         86.2521     180         
1 1 1 6  12 1  o 126.165 2.31958 28.0444      1.50903   30.4074      1.52094   47.8652     161.036     122.103     341.036     
1 1 1 6  12 2  o 230.594 2.68968 97.2808      3.21477   97.8228      3.2152    150.007     134.091     125.01      314.091     
1 1 1 6  12 3  o 124.004 2.36518 28.2219      1.64457   28.2106      1.38274   85.2744     272.612     32.2908     92.6119     
1 1 1 6  12 4  f 133.389 2.26469 32.7482      1.63773   32.539       1.4896    87.3109     164.214     0           0           
1 1 1 6  12 5  o 143.525 2.66595 37.9177      1.98409   37.7221      1.97927   77.9593     237.621     95.4206     57.6209     
1 1 1 6  12 6  o 199.027 2.70482 72.3232      2.79372   73.0401      2.78719   175.452     300.354     6.9183      120.354     
1 1 1 6  12 7  f 266.051 2.82031 129.856      3.89577   129.937      3.88318   231.34      218.175     0           0           
1 1 1 6  12 8  o 202.522 2.70946 74.6802      2.84508   75.8548      2.84352   195.353     61.792      27.8508     61.792      
1 1 1 6  12 9  o 223.054 2.59889 89.5692      2.84164   93.0438      3.16476   180.38      218.35      46.938      38.3495     
1 1 1 6  12 10 o 260.941 2.43914 123.41       3.44026   126.475      3.14765   246.673     122.397     13.2235     122.397     
1 1 1 6  12 11 o 42.5685 2.69339 3.59354      0.566093  3.12043      0.603729  23.2036     290.349     77.0693     290.349     
1 1 1 6  12 12 o 312.577 2.38586 179.608      3.7196    178.993      4.00606   236.739     203.741     108.024     23.7415     
1 1 1 6  12 13 o 208.688 2.11908 77.7244      2.28587   82.1158      2.29779   162.857     355.663     57.031      175.663     
1 1 1 6  12 14 o 174.484 2.39466 55.7821      2.16782   55.9821      2.16389   178.06      181.027     41.7849     181.027     
1 1 1 6  12 15 o 64.5097 2.44325 8.44663      0.785043  6.91515      0.831099  37.0796     355.483     13.5398     175.483     
1 1 1 6  12 16 o 193.742 2.25805 68.6414      2.26677   69.1574      2.26863   211.483     295.174     68.4133     295.174     
1 1 1 6  12 17 o 140.038 2.11061 36.1581      1.53138   35.8276      1.53278   102.408     207.869     49.389      27.8695     
1 1 1 6  12 18 o 109.353 2.14412 23.3564      1.21569   20.6213      1.20951   90.8028     352.753     11.6097     172.753     
1 1 1 6  12 19 o 195.866 2.15488 71.2599      2.18936   69.6052      2.1861    234.424     101.468     113.828     101.468     
1 1 1 6  12 20 o 86.2672 2.16166 13.7372      0.962092  13.625       0.968087  70.1712     244.75      5.63664     64.7499     
1 1 1 6  12 21 o 89.2191 2.35068 13.9678      1.08025   15.3311      1.08878   86.2802     298.63      24.671      298.63      
1 1 1 6  12 22 o 70.9901 2.50798 8.60043      0.941371  9.99296      0.889712  48.7222     18.2277     18.5152     198.228     
1 1 1 6  12 23 o 72.0218 2.39627 9.43807      0.890938  9.66537      0.893181  48.3744     262.151     22.8293     82.1508     
1 1 1 6  12 24 o 118.584 2.23215 25.9624      1.41546   25.7348      1.32515   150.53      265.457     100.01      265.457     
1 1 1 6  12 25 o 149.626 2.17159 40.8064      1.68073   41.442       1.68782   165.247     303.5       64.6202     303.5       
1 1 1 6  12 26 o 241.297 2.36703 107.696      2.8578    106.344      3.05867   227.269     253.604     19.1158     253.604     
1 1 1 6  12 27 f 75.0535 2.53692 10.185       0.985094  10.5873      0.982812  56.5519     46.4397     0           0           
1 1 1 6  12 28 o 66.9267 2.40885 8.58185      0.837968  7.94431      0.82731   51.0877     261.71      6.38043     81.7096     
1 1 1 6  12 29 o 73.3187 2.35766 9.81929      0.8881    10.005       0.899299  56.895      231.261     7.05523     51.2614     
1 1 1 6  12 30 o 75.1034 2.36207 10.9685      0.914761  9.85829      0.917573  61.7261     81.6179     1.50353     261.618     
1 1 1 6  12 31 o 36.245  3.05624 2.79273      0.565078  2.15466      0.553282  13.0513     101.133     24.3258     281.133     
1 1 1 6  12 32 o 93.1314 2.30724 16.6048      1.11479   15.4354      1.10851   83.607      58.1028     6.0357      58.1028     
1 1 1 6  12 33 o 25.3281 4.03372 1.08703      0.541975  1.40905      0.494362  4.93024     315.979     47.8904     315.979     
1 1 1 6  12 34 o 39.5872 3.24204 3.56569      0.643864  2.40665      0.638798  24.2866     87.7738     14.3498     267.774     
1 1 1 6  12 35 o 67.1588 2.62514 8.81165      0.923047  7.99349      0.897002  46.9882     21.6941     20.216      201.694     
1 1 1 6  12 36 o 79.9348 2.55559 12.1462      1.06096   11.6579      1.05121   76.922      42.4701     17.9865     42.4701     
1 1 1 6  12 37 o 24.1175 3.79985 1.46605      0.474082  0.847571     0.460713  4.3872      118.811     26.5734     298.811     
1 1 1 6  12 38 o 30.8819 3.40059 1.99255      0.534875  1.70507      0.517212  15.5887     62.7234     17.552      242.723     
1 1 1 6  12 39 f 58.7739 2.66911 6.62317      0.828851  6.39931      0.788889  38.8958     285.59      0           0           
1 1 1 6  12 40 o 29.9923 4.05461 2.51896      0.611476  1.17298      0.594813  18.382      265.268     10.7302     85.2678     
1 1 1 6  12 41 o 11.5055 3.47299 -0.847086    0.402684  0.343656     0.442172  4.59527     270.99      23.0088     270.99      
1 1 1 6  12 42 o 15.4066 3.89558 -0.273424    0.452996  0.802092     0.47139   0.425995    79.378      20.4305     259.378     
1 1 1 6  12 43 o 44.2373 2.96708 3.36023      0.663353  4.2157       0.674276  33.6755     80.3326     4.93984     260.333     
1 1 1 6  12 44 o 18.0017 4.24052 0.455124     0.468673  0.809133     0.475437  9.47715     88.5695     2.70325     268.569     
1 1 1 6  12 45 o 8.74808 2.96415 -0.306339    0.390483  -0.768853    0.388929  0.894039    250.442     3.66629     250.442     
1 1 1 6  12 46 o 21.1141 4.52988 0.894441     0.52236   1.01504      0.556017  14.9179     117.803     6.49759     117.803     
1 1 1 6  12 47 o 25.0262 4.64931 2.12328      0.674754  0.66834      0.662146  18.7716     97.23       0.78617     97.23       
1 1 1 6  12 48 o 24.2684 4.63687 1.49095      0.641331  1.17851      0.55416   14.6023     349.277     7.17195     169.277     
1 1 1 6  12 49 o 50.0172 3.49617 5.69585      0.800747  4.66462      0.945911  49.3941     341.1       19.5574     341.1       
1 1 1 6  12 50 o 12.5237 3.79354 -0.668828    0.520095  0.440235     0.477215  3.27321     336.044     2.52155     156.044     
1 1 1 6  12 51 o 18.2317 3.79498 1.57644      0.546136  -0.550622    0.528882  11.1336     20.0802     4.07378     20.0802     
1 1 1 6  12 52 o 17.2951 4.72234 0.460159     0.644323  0.871437     0.588903  7.48614     269.783     2.04068     269.783     
1 1 1 6  12 53 o 28.0191 4.6596  2.86828      0.712429  1.19084      0.703683  17.0257     245.191     7.40633     65.1909     
1 1 1 6  12 54 o 11.3189 3.67427 -0.549933    0.503609  0.185832     0.513178  0.800686    227.64      4.74896     47.6399     
1 1 1 6  12 55 o 22.513  4.47686 2.12876      0.640139  0.548223     0.616073  13.8735     255.888     1.949       75.8883     
1 1 1 6  12 56 o 13.2826 4.17525 0.255319     0.599231  0.12416      0.553287  2.16        122.104     4.15539     302.104     
1 1 1 6  12 57 f 13.9319 4.34439 -0.0283474   0.655656  0.554172     0.608684  11.3159     143.812     0           0           
1 1 1 6  12 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  13 0  o 93.1223 2.16215 15.9509      1.04114   15.9509      1.04114   61.2767     180         5.05013     180         
1 1 1 6  13 1  o 112.352 2.2342  23.3279      1.20229   23.0207      1.38932   53.4886     152.408     80.735      332.408     
1 1 1 6  13 2  o 124.46  2.38258 29.1978      1.53839   27.6935      1.53237   66.8545     66.5811     79.4604     246.581     
1 1 1 6  13 3  o 35.0618 2.68195 2.4354       0.508881  2.13437      0.451007  7.6202      340.6       19.7096     340.6       
1 1 1 6  13 4  o 129.614 2.66325 31.7016      1.79417   30.0268      1.78008   82.6166     100.993     57.7074     280.993     
1 1 1 6  13 5  o 158.527 2.64786 44.8959      2.17382   47.3681      2.17677   168.307     224.561     66.4772     224.561     
1 1 1 6  13 6  o 287.599 2.86763 148.865      4.27409   154.876      4.27476   272.217     26.0782     13.0096     26.0782     
1 1 1 6  13 7  o 140.389 2.66698 35.7672      1.93928   36.6437      1.93859   97.8686     272.107     51.2869     92.1068     
1 1 1 6  13 8  o 205.92  2.60631 77.0142      2.65558   78.6621      2.90517   210.081     45.1347     47.4112     45.1347     
1 1 1 6  13 9  o 184.346 2.56459 62.0221      2.33967   62.7454      2.55796   164.759     286.839     4.02531     106.839     
1 1 1 6  13 10 o 37.6989 3.18279 2.4466       0.598855  2.8584       0.618642  18.8961     130.859     66.9821     130.859     
1 1 1 6  13 11 f 127.721 2.4692  29.378       1.62564   30.5649      1.64056   157.869     352.384     0           0           
1 1 1 6  13 12 o 220.736 2.24926 88.9094      2.66806   89.9458      2.4743    173.265     330.739     60.3654     150.739     
1 1 1 6  13 13 o 297.428 2.63097 160.349      4.03915   164.598      4.07328   263.013     73.1583     25.475      253.158     
1 1 1 6  13 14 o 293.925 2.61101 159.347      3.98518   158.003      3.97101   244.482     25.1781     55.3501     205.178     
1 1 1 6  13 15 o 25.1096 3.12165 1.34456      0.382472  1.0496       0.396508  58.0354     240.689     149.24      240.689     
1 1 1 6  13 16 o 83.611  2.13545 13.4531      0.924329  12.2601      0.92223   53.2275     31.5706     37.1025     211.571     
1 1 1 6  13 17 o 124.984 2.10925 28.1959      1.36267   29.1614      1.37019   127.251     155.124     33.9538     155.124     
1 1 1 6  13 18 o 292.446 2.296   156.915      3.47771   157.221      3.48339   315.682     152.048     95.4093     152.048     
1 1 1 6  13 19 o 148.734 2.12667 38.5827      1.62913   42.7043      1.64782   97.939      88.6657     72.5585     268.666     
1 1 1 6  13 20 f 66.2406 2.34437 7.8667       0.773648  8.29669      0.831252  67.8242     63.4303     0           0           
1 1 1 6  13 21 f 78.2894 2.47479 11.106       0.964838  11.4662      1.03834   65.9475     51.1934     0           0           
1 1 1 6  13 22 o 91.4791 2.33196 14.5025      1.09526   16.3124      1.11065   67.2156     157.717     24.0092     337.717     
1 1 1 6  13 23 o 55.2108 2.5149  5.77841      0.710948  5.47601      0.720157  32.2386     84.3868     21.6474     264.387     
1 1 1 6  13 24 o 125.555 2.18984 29.3711      1.42716   28.5528      1.42308   141.425     158.098     62.9891     158.098     
1 1 1 6  13 25 o 76.7171 2.31726 10.5329      0.915866  11.1472      0.922503  58.0659     200.402     13.4201     20.4024     
1 1 1 6  13 26 o 132.873 2.19287 30.8444      1.49901   34.0958      1.51984   123.458     281.61      13.0113     281.61      
1 1 1 6  13 27 o 161.719 2.30284 48.592       1.85334   47.6144      2.00292   116.398     245.617     54.2853     65.6173     
1 1 1 6  13 28 o 108.404 2.43367 22.4503      1.3663    20.8773      1.36401   94.5542     197.702     1.87398     197.702     
1 1 1 6  13 29 o 139.972 2.22867 35.8769      1.61342   36.2545      1.62065   174.833     261.454     107.629     261.454     
1 1 1 6  13 30 o 92.7283 2.2786  15.3039      1.08969   16.4319      1.09665   73.2237     190.761     13.8025     10.7608     
1 1 1 6  13 31 o 80.4033 2.33511 11.1224      0.959801  12.8027      0.980123  85.4141     244.493     33.967      244.493     
1 1 1 6  13 32 o 102.077 2.40082 19.0335      1.25854   19.5216      1.27861   103.662     298.931     30.6576     298.931     
1 1 1 6  13 33 o 39.5676 2.88965 2.39664      0.571371  3.53653      0.577676  26.9092     269.353     8.36905     89.3528     
1 1 1 6  13 34 o 59.7888 2.70174 6.35733      0.825397  6.98946      0.839611  41.405      231.306     17.8026     51.306      
1 1 1 6  13 35 o 98.7746 2.61321 17.9565      1.27327   18.4012      1.39634   79.606      214.68      10.5397     34.6795     
1 1 1 6  13 36 o 64.0142 2.49097 7.77312      0.827091  7.5373       0.819605  73.1603     92.6965     40.7698     92.6965     
1 1 1 6  13 37 o 63.1294 2.50016 7.96289      0.8158    6.98071      0.811367  44.5329     273.617     17.6022     93.6173     
1 1 1 6  13 38 o 48.881  2.72145 4.21011      0.677018  4.83398      0.689003  40.4697     340.202     0.00321808  340.255     
1 1 1 6  13 39 o 32.1221 3.59722 1.85649      0.575486  2.19697      0.579785  7.75899     186.287     37.0121     6.28673     
1 1 1 6  13 40 o 44.8112 3.03187 4.03326      0.689621  3.66337      0.699527  35.1499     286.575     3.59915     106.575     
1 1 1 6  13 41 o 87.5009 2.72471 14.8248      1.18363   14.228       1.27734   78.0529     222.287     9.41667     222.287     
1 1 1 6  13 42 o 50.451  2.78531 5.39173      0.721795  4.38195      0.717057  37.5615     212.855     7.89362     32.8546     
1 1 1 6  13 43 o 25.7973 3.90865 0.773444     0.501245  2.04221      0.540606  7.17769     169.546     26.1664     349.547     
1 1 1 6  13 44 o 26.725  3.93334 1.33458      0.522351  1.61995      0.532404  23.2754     112.948     7.96738     112.948     
1 1 1 6  13 45 o 10.6767 3.44456 -0.126192    0.403445  -0.301411    0.446852  0.177005    100.783     6.61676     100.783     
1 1 1 6  13 46 o 17.2027 4.53995 0.685064     0.501003  0.371346     0.617252  9.07282     99.3924     2.52029     279.392     
1 1 1 6  13 47 o 12.0938 3.88416 0.00947049   0.536901  -0.40014     0.53685   1.70324     61.2334     1.91793     241.233     
1 1 1 6  13 48 o 33.8318 4.51606 1.68446      0.770982  3.54982      0.729487  29.5373     239.607     7.05059     239.607     
1 1 1 6  13 49 o 21.2433 4.51911 0.772211     0.545884  1.33346      0.559166  14.8491     67.3194     0.119404    247.32      
1 1 1 6  13 50 o 14.8377 4.22352 0.238492     0.509192  0.507436     0.499323  4.32854     342.942     0.0988632   342.942     
1 1 1 6  13 51 o 13.9006 4.16552 0.415852     0.528301  0.0641697    0.526231  3.93033     269.235     2.93267     89.2351     
1 1 1 6  13 52 o 14.8434 4.31889 0.647528     0.560053  0.105324     0.540632  5.11486     260.512     6.52736     80.5117     
1 1 1 6  13 53 o 15.1181 4.38141 -0.209309    0.58705   0.904678     0.612541  5.07857     275.25      7.06749     95.2501     
1 1 1 6  13 54 o 15.7556 4.55873 0.460209     0.567566  0.663862     0.616669  5.37648     136.292     2.64967     316.292     
1 1 1 6  13 55 o 16.9563 4.61431 0.548303     0.582753  0.906963     0.578371  6.99113     287.152     1.65215     107.152     
1 1 1 6  13 56 o 14.7585 4.32775 0.865264     0.58496   -0.125995    0.59848   4.7033      45.39       2.9979      225.39      
1 1 1 6  13 57 o 14.8413 4.529   0.329375     0.65052   0.593757     0.629478  5.49136     240.542     1.63315     60.5422     
1 1 1 6  14 0  o 144.86  2.04122 38.5241      1.53138   38.5241      1.53138   195.858     180         124.003     180         
1 1 1 6  14 1  o 180.392 2.16155 60.1703      1.94541   59.2494      2.09309   131.201     150.843     65.6136     330.843     
1 1 1 6  14 2  o 257.459 2.2785  118.591      3.14192   124.733      2.9291    287.404     130.551     102.856     130.551     
1 1 1 6  14 3  o 198.564 2.4643  70.3778      2.53071   74.3955      2.54097   203.998     193.315     48.2052     193.315     
1 1 1 6  14 4  o 217.73  2.49671 85.5873      2.81229   88.473       2.82297   225.599     151.552     54.0425     151.552     
1 1 1 6  14 5  f 250.395 2.55623 116.97       3.32212   113.261      3.31308   167.378     57.466      0           0           
1 1 1 6  14 6  o 240.121 2.54664 105.296      3.16583   106.424      3.17368   229.543     275.653     17.4325     275.653     
1 1 1 6  14 7  o 110.399 2.48363 22.3631      1.41568   22.4339      1.42329   105.577     185.441     22.8673     185.441     
1 1 1 6  14 8  o 199.857 2.48648 72.9062      2.5721    73.7666      2.57975   233.454     299.943     103.547     299.943     
1 1 1 6  14 9  o 219.276 2.52048 88.1889      2.85911   88.3902      2.87063   220.642     310.201     38.2385     310.201     
1 1 1 6  14 10 o 30.1387 3.60822 1.79808      0.536809  1.63805      0.549201  31.1916     346.18      100.182     346.18      
1 1 1 6  14 11 o 199.06  2.62045 72.4805      2.80757   73.0869      2.59508   188.436     274.769     12.5424     274.769     
1 1 1 6  14 12 o 88.8983 2.74235 15.6913      1.26074   13.4489      1.25521   67.4271     198.322     17.7443     18.3221     
1 1 1 6  14 13 o 120.878 2.55316 26.4406      1.68151   27.2926      1.50639   122.684     81.7676     32.8081     81.7676     
1 1 1 6  14 14 o 25.4741 3.49145 1.22393      0.444743  1.24643      0.444025  10.5015     5.8819      33.0726     5.8819      
1 1 1 6  14 15 o 97.6666 2.1444  19.4455      1.08859   15.7131      1.07235   73.0677     346.587     23.7443     166.587     
1 1 1 6  14 16 f 113.712 2.1187  24.3871      1.24669   23.1346      1.24812   109.139     143.404     0           0           
1 1 1 6  14 17 o 75.5001 2.30516 10.5778      0.939977  10.4011      0.858834  61.9615     197.66      2.43455     197.66      
1 1 1 6  14 18 o 41.108  2.48764 3.05933      0.525093  3.19686      0.524666  6.98031     216.85      36.1037     36.8498     
1 1 1 6  14 19 o 73.9988 2.24546 8.75053      0.842037  11.4951      0.86761   71.3993     159.6       29.8851     159.6       
1 1 1 6  14 20 o 143.98  2.29136 37.7535      1.70574   38.4122      1.71446   116.88      311.344     23.5849     131.344     
1 1 1 6  14 21 o 42.2129 2.95358 2.81487      0.623776  3.84782      0.640659  16.6066     190.083     3.72618     10.0832     
1 1 1 6  14 22 o 99.4594 2.33651 16.8644      1.18897   19.584       1.21348   67.381      16.4753     39.744      196.475     
1 1 1 6  14 23 o 36.9492 2.9421  3.03782      0.568763  2.09692      0.528708  3.24815     278.586     44.1822     98.586      
1 1 1 6  14 24 o 68.737  2.33659 7.99286      0.822438  9.45104      0.834169  61.9813     44.8288     14.9289     44.8288     
1 1 1 6  14 25 o 102.32  2.22842 19.0117      1.17916   19.5232      1.18174   89.3962     93.3903     2.49671     93.3903     
1 1 1 6  14 26 f 103.839 2.22786 19.6539      1.19447   20.0499      1.20104   61.4644     272.604     0           0           
1 1 1 6  14 27 o 77.3209 2.29094 11.3276      0.913586  10.7246      0.918092  73.2999     198.543     19.5975     198.543     
1 1 1 6  14 28 o 100.29  2.45016 19.2594      1.27292   17.8789      1.26953   81.7421     160.61      9.99914     340.61      
1 1 1 6  14 29 o 13.8894 3.8103  0.381303     0.427949  0.0563592    0.369509  18.722      124.903     49.0059     124.903     
1 1 1 6  14 30 o 123.615 2.24945 27.6108      1.43276   28.8212      1.44738   130.009     107.893     44.6243     107.893     
1 1 1 6  14 31 o 68.0756 2.53361 8.13883      0.87867   9.07328      0.902221  73.078      226.374     32.6589     226.374     
1 1 1 6  14 32 o 75.4981 2.43479 10.3576      0.966379  10.7987      0.932943  72.8028     45.4441     17.6669     45.4441     
1 1 1 6  14 33 o 67.723  2.39406 8.21069      0.835018  8.84241      0.839772  68.059      151.409     23.0394     151.409     
1 1 1 6  14 34 o 66.7346 2.67354 8.05145      0.982038  8.5984       0.849156  67.3383     0.133275    23.23       0.133275    
1 1 1 6  14 35 o 51.9284 3.12571 5.73029      0.846053  4.51913      0.814229  39.4602     259.579     7.29218     79.5793     
1 1 1 6  14 36 o 26.3542 3.88335 1.57576      0.493771  1.18366      0.532235  13.0993     356.116     13.5073     176.116     
1 1 1 6  14 37 o 16.7473 3.88353 0.792598     0.420656  0.195481     0.410492  4.69907     252.035     6.37465     72.0345     
1 1 1 6  14 38 o 62.7823 2.68315 6.64424      0.853595  8.28719      0.878638  53.2294     162.756     1.26214     162.756     
1 1 1 6  14 39 o 33.5149 3.41847 2.25223      0.587151  2.13423      0.566377  32.2742     332.079     12.257      332.079     
1 1 1 6  14 40 o 12.2057 3.63738 0.31078      0.421843  -0.4453      0.435898  0.82388     332.512     3.50945     152.512     
1 1 1 6  14 41 o 35.0402 3.93285 2.14711      0.618485  2.82248      0.765243  20.8903     272.065     14.5586     92.065      
1 1 1 6  14 42 f 41.936  3.29991 3.65254      0.655847  3.2525       0.741176  34.2168     256.672     0           0           
1 1 1 6  14 43 o 25.625  4.28647 1.50563      0.594855  1.26717      0.526761  19.3409     116.405     1.09275     116.405     
1 1 1 6  14 44 o 18.7984 4.36882 0.452695     0.519164  0.961969     0.502978  8.98073     231.208     7.70464     51.2078     
1 1 1 6  14 45 o 23.7491 4.30761 1.05408      0.529501  1.3927       0.541924  16.9339     139.819     0.718218    319.819     
1 1 1 6  14 46 o 36.2586 3.78322 3.04202      0.6838    2.44875      0.686806  27.9227     249.305     1.06571     69.3053     
1 1 1 6  14 47 o 22.1775 4.58768 0.785503     0.564038  1.47102      0.592849  12.242      224.996     8.21273     44.9961     
1 1 1 6  14 48 o 27.5468 4.5192  2.43637      0.667775  1.14208      0.641664  22.98       220.072     5.13745     220.072     
1 1 1 6  14 49 o 18.5881 4.5753  1.14456      0.592841  0.448499     0.528773  11.8154     182.523     2.94418     182.523     
1 1 1 6  14 50 o 13.2782 4.0518  -0.123316    0.513659  0.38977      0.52899   3.1673      84.5501     5.07886     264.55      
1 1 1 6  14 51 o 15.4166 4.41836 0.271914     0.565324  0.640193     0.553294  6.45789     35.8653     2.36301     215.865     
1 1 1 6  14 52 o 11.0713 3.61999 0.0413201    0.492381  -0.437798    0.504177  0.765519    84.9981     3.33493     264.998     
1 1 1 6  14 53 o 13.8352 4.18233 -0.0631732   0.56336   0.545219     0.544491  2.82776     320.875     3.12692     140.875     
1 1 1 6  14 54 o 28.1011 5.00794 2.39427      0.734595  1.90021      0.732876  19.8131     141.744     0.485643    141.744     
1 1 1 6  14 55 o 27.1348 4.5994  1.11069      0.675462  2.9554       0.71295   23.0307     256.569     10.3739     256.569     
1 1 1 6  14 56 o 17.7    4.84113 0.665973     0.63221   1.12999      0.651091  9.51256     62.6525     0.0778112   242.652     
1 1 1 6  14 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  15 0  o 109.727 2.05665 22.1264      1.16792   22.1264      1.16792   40.5309     180         123.109     8.66541e-06 
1 1 1 6  15 1  o 204.764 2.28383 78.3797      2.42455   75.5669      2.42305   182.022     308.155     11.5569     128.155     
1 1 1 6  15 2  o 86.9406 2.1924  13.6913      1.02448   14.0923      0.945489  66.4339     113.543     15.6827     293.543     
1 1 1 6  15 3  o 139.824 2.46935 35.4908      1.7875    36.3339      1.79042   105.768     35.6806     41.3658     215.681     
1 1 1 6  15 4  o 105.528 2.45066 19.355       1.3316    21.617       1.34336   59.8719     124.181     68.1862     304.181     
1 1 1 6  15 5  o 98.2027 2.48795 17.7037      1.26232   17.7611      1.26653   99.5944     92.6682     32.9825     92.6682     
1 1 1 6  15 6  o 177.26  2.46168 58.8802      2.26501   56.536       2.25822   162.75      219.335     2.90788     219.335     
1 1 1 6  15 7  o 207.714 2.50059 81.0383      2.69596   77.4656      2.688     216.441     114.962     53.9404     114.962     
1 1 1 6  15 8  f 156.396 2.60335 44.821       2.21088   45.049       2.00453   111.354     213.956     0           0           
1 1 1 6  15 9  o 220.907 2.53015 87.438       2.88994   91.8757      2.90356   250.199     318.487     98.2093     318.487     
1 1 1 6  15 10 o 232.143 2.76984 96.9082      3.32774   101.21       3.33738   220.711     355.2       17.242      355.2       
1 1 1 6  15 11 o 54.2462 2.96653 5.2895       0.828011  5.59907      0.826746  12.1592     333.809     60.7801     153.809     
1 1 1 6  15 12 o 131.555 2.68809 32.0307      1.8351    31.6399      1.8272    86.7072     277.686     62.3717     97.6863     
1 1 1 6  15 13 f 104.849 2.7972  19.4001      1.5072    21.0966      1.52657   70.7373     337.317     0           0           
1 1 1 6  15 14 o 62.4972 2.92812 6.99743      0.885032  7.43568      1.00068   16.9381     261.414     69.1695     81.4144     
1 1 1 6  15 15 o 52.5917 2.59171 5.63904      0.701919  4.60322      0.69692   16.0881     280.686     48.7432     100.686     
1 1 1 6  15 16 o 185.877 2.14692 63.437       2.06793   63.4558      2.06923   185.584     64.4883     36.8351     64.4883     
1 1 1 6  15 17 o 123.379 2.13615 27.8752      1.36346   28.034       1.36889   124.834     22.1431     33.2852     22.1431     
1 1 1 6  15 18 o 92.4404 2.18397 17.3005      1.05267   14.2005      1.03161   48.2436     309.325     65.2426     129.325     
1 1 1 6  15 19 o 239.983 2.22327 107.095      2.76862   104.509      2.76252   245.9       27.406      59.401      27.406      
1 1 1 6  15 20 o 143.459 2.4002  38.2852      1.72275   37.3742      1.84327   167.838     327.983     83.4325     327.983     
1 1 1 6  15 21 o 148.569 2.41713 41.4668      1.93396   39.7091      1.78865   144.96      300.385     26.9538     300.385     
1 1 1 6  15 22 o 99.5504 2.35953 18.6451      1.21777   17.844       1.21359   108.471     270.19      48.9381     270.19      
1 1 1 6  15 23 o 79.1374 2.29298 12.2307      0.948307  10.8609      0.927527  63.602      27.1967     4.95465     207.197     
1 1 1 6  15 24 o 51.2537 2.52403 5.61442      0.669804  4.15992      0.653264  24.7378     275.95      28.3944     95.9502     
1 1 1 6  15 25 o 61.7307 2.41621 7.02599      0.770827  7.05075      0.769448  48.8268     306.346     0.495226    306.346     
1 1 1 6  15 26 o 78.9838 2.30977 10.7643      0.936083  12.2799      0.9488    87.9372     150.487     47.9831     150.487     
1 1 1 6  15 27 o 99.5722 2.26016 16.9069      1.15208   19.7262      1.17435   92.2823     4.33325     12.7095     4.33325     
1 1 1 6  15 28 o 148.181 2.31109 40.1097      1.69802   40.9211      1.85037   126.583     115.911     6.72539     295.911     
1 1 1 6  15 29 o 63.9559 2.64241 7.01226      0.865375  8.20566      0.875481  52.4847     42.2518     2.98873     222.252     
1 1 1 6  15 30 o 61.339  2.71008 6.88817      0.893667  7.12398      0.817626  65.5041     178.982     30.6608     178.982     
1 1 1 6  15 31 o 77.8035 2.41432 11.2662      0.989317  11.2069      0.95307   77.1197     36.648      22.6637     36.648      
1 1 1 6  15 32 o 34.9818 3.03641 2.39131      0.538748  2.24833      0.538846  3.82315     103.765     49.0357     283.765     
1 1 1 6  15 33 o 31.6139 3.27377 2.22788      0.515102  1.62801      0.514956  25.1489     273.305     8.33778     273.305     
1 1 1 6  15 34 o 40.4912 3.0362  3.14522      0.622499  3.08576      0.632401  38.4921     176.742     13.5775     176.742     
1 1 1 6  15 35 o 44.8332 2.85325 4.41799      0.683337  3.24533      0.623752  35.5883     221.513     2.35473     41.5126     
1 1 1 6  15 36 o 21.7786 4.2796  0.838776     0.486374  1.07679      0.517637  2.27368     172.22      28.6694     352.22      
1 1 1 6  15 37 o 58.9673 2.88776 7.58086      0.828979  5.68524      0.897011  44.6666     248.705     9.26241     68.7049     
1 1 1 6  15 38 o 27.5744 4.0834  0.832253     0.490127  2.39968      0.670797  20.8522     208.596     0.481969    28.5962     
1 1 1 6  15 39 o 49.0585 2.98557 5.76793      0.830398  3.60395      0.670119  34.9529     224.198     10.8614     44.1982     
1 1 1 6  15 40 o 19.3733 4.20024 0.0125053    0.571985  1.27468      0.523012  3.98737     64.0671     1.96924     64.0671     
1 1 1 6  15 41 o 67.3671 2.59604 8.1891       0.894807  9.13143      0.910034  63.0156     258.826     15.4437     258.826     
1 1 1 6  15 42 o 26.9027 3.9592  1.49922      0.527661  1.49321      0.540583  15.7708     343.928     9.67421     163.928     
1 1 1 6  15 43 o 46.5052 3.01264 3.18611      0.679358  5.41159      0.722078  46.1133     105.224     18.2284     105.224     
1 1 1 6  15 44 f 13.4238 3.88608 0.382051     0.442527  -0.0548407   0.447527  17.5385     221.667     0           0           
1 1 1 6  15 45 o 8.38344 2.87132 -0.513375    0.377374  -0.6108      0.39331   1.70759     16.1295     8.22919     16.1295     
1 1 1 6  15 46 o 66.5065 2.94896 9.82566      1.01113   7.85769      1.0014    69.6672     2.22426     33.179      2.22426     
1 1 1 6  15 47 o 25.9342 4.47663 1.79297      0.624533  1.32105      0.573705  22.3465     84.3129     7.20906     84.3129     
1 1 1 6  15 48 o 10.3232 3.43753 -0.217772    0.422688  -0.515381    0.536712  1.21572     216.967     12.3103     216.967     
1 1 1 6  15 49 o 16.1347 4.29861 1.18403      0.624193  -0.396764    0.531429  4.85459     213.519     10.9587     33.5187     
1 1 1 6  15 50 o 36.177  3.82691 3.57068      0.694392  2.33402      0.670527  33.9764     342.904     14.1086     342.904     
1 1 1 6  15 51 o 17.7618 4.69422 0.954771     0.603486  0.633193     0.566791  4.32968     149.705     1.99015     149.705     
1 1 1 6  15 52 o 13.326  4.06884 0.369297     0.50609   0.0559282    0.536181  2.41756     301.041     6.37801     121.041     
1 1 1 6  15 53 o 28.3248 4.5735  1.83211      0.64839   2.26352      0.668132  21.9203     200.98      4.88353     200.98      
1 1 1 6  15 54 o 14.5172 4.33432 -0.687112    0.709205  0.904339     0.613276  3.585       342.819     1.89861     162.819     
1 1 1 6  15 55 o 25.0754 4.46349 0.580761     0.756538  2.88681      0.693788  16.3977     270.491     1.88176     90.4905     
1 1 1 6  15 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  16 0  o 159.596 2.06223 46.7639      1.70476   46.7639      1.70476   165.259     360         35.9195     360         
1 1 1 6  16 1  o 160.235 2.23132 46.9676      1.85271   47.3169      1.85391   147.963     73.4258     7.3401      73.4258     
1 1 1 6  16 2  o 195.26  2.46404 67.7779      2.48908   72.3247      2.49715   167.954     139.83      19.0619     319.83      
1 1 1 6  16 3  o 137.298 2.44927 34.1903      1.73946   35.0864      1.74522   122.823     129.907     0.632058    129.906     
1 1 1 6  16 4  o 257.86  2.59367 122.481      3.46718   121.861      3.4664    273.288     164.8       76.154      164.8       
1 1 1 6  16 5  o 162.75  2.47165 49.0669      2.08412   48.2508      2.08606   125.735     67.1021     42.5215     247.102     
1 1 1 6  16 6  o 65.8121 2.67569 8.67675      0.907543  7.32436      0.905341  52.1503     126.446     19.1753     126.446     
1 1 1 6  16 7  o 258.134 2.60126 120.604      3.48181   124.303      3.47883   222.074     337.446     26.8524     157.446     
1 1 1 6  16 8  o 134.53  2.59134 34.6391      1.8821    31.9534      1.7294    150.733     92.3143     65.9785     92.3143     
1 1 1 6  16 9  o 98.614  2.70181 17.501       1.37671   18.3079      1.37978   52.5705     89.4323     67.6623     269.432     
1 1 1 6  16 10 o 110.476 2.69598 22.903       1.54186   22.0248      1.54085   67.7135     104.602     59.6543     284.602     
1 1 1 6  16 11 o 72.9859 2.72972 9.38602      0.987735  10.2647      1.07089   21.3163     225.291     81.9453     45.291      
1 1 1 6  16 12 o 75.078  2.79838 10.6956      1.14425   10.0959      1.02562   72.8666     183.301     43.6759     183.301     
1 1 1 6  16 13 o 135.232 2.77541 33.4216      1.9426    33.8923      1.94428   128.725     294.033     18.1577     294.033     
1 1 1 6  16 14 o 217.657 2.57712 88.6702      2.91101   85.5035      2.90363   222.326     159.776     52.6486     159.776     
1 1 1 6  16 15 o 167.302 2.53303 53.7396      2.19869   49.2054      2.19181   156.195     140.757     13.2762     140.757     
1 1 1 6  16 16 o 46.1794 2.55383 4.40084      0.643384  3.51262      0.56973   19.6874     30.0575     28.0548     210.058     
1 1 1 6  16 17 o 49.0606 2.52076 4.54458      0.602385  4.35318      0.667388  32.9797     108.25      3.35785     108.25      
1 1 1 6  16 18 o 103.235 2.15874 19.7734      1.15144   19.4221      1.15631   114.031     270.081     52.3697     270.081     
1 1 1 6  16 19 f 141.743 2.33253 36.2011      1.59255   37.6758      1.83092   123.742     309.473     0           0           
1 1 1 6  16 20 o 180.985 2.50917 61.5594      2.35865   58.9739      2.3487    183.082     349.135     45.6001     349.135     
1 1 1 6  16 21 o 141.575 2.30919 37.1419      1.69398   36.5891      1.69522   132.994     345.181     17.9806     345.181     
1 1 1 6  16 22 f 57.9344 2.44051 6.35971      0.75012   6.04262      0.709161  63.3124     286.988     0           0           
1 1 1 6  16 23 o 117.269 2.20519 25.6179      1.34176   25.0291      1.33672   89.9117     231.754     24.1795     51.7539     
1 1 1 6  16 24 o 55.8051 2.44241 6.13619      0.708862  5.39771      0.695744  46.2241     113.485     6.05702     113.485     
1 1 1 6  16 25 o 29.6082 3.19816 1.41399      0.469214  1.92582      0.473194  8.55952     201.059     18.3045     21.0586     
1 1 1 6  16 26 o 95.8225 2.24732 18.222       1.11914   15.7277      1.10654   114.639     69.5277     65.7062     69.5277     
1 1 1 6  16 27 o 63.8119 2.37992 7.17695      0.780152  7.9182       0.78757   35.5637     172.444     37.6455     352.444     
1 1 1 6  16 28 o 16.2276 3.79754 0.383006     0.37538   0.554573     0.373743  5.92722     284.941     25.8347     284.941     
1 1 1 6  16 29 o 41.0492 3.11802 3.5531       0.598365  2.82033      0.683558  36.5738     70.9477     12.1986     70.9477     
1 1 1 6  16 30 o 23.7504 3.97711 1.74211      0.520808  0.495492     0.512283  4.11342     66.1399     0.792793    246.14      
1 1 1 6  16 31 o 33.016  3.07667 2.17579      0.513318  1.97566      0.512988  24.0242     328.501     0.395652    148.501     
1 1 1 6  16 32 o 83.6589 2.33838 12.8733      1.00408   13.199       1.02004   81.4282     268.486     21.1984     268.486     
1 1 1 6  16 33 o 17.601  4.15296 0.659812     0.437968  0.479227     0.45758   0.870009    12.2101     20.6011     192.21      
1 1 1 6  16 34 o 11.1254 3.44837 -0.349013    0.338129  0.153402     0.437725  2.123       149.203     9.67831     149.204     
1 1 1 6  16 35 o 42.4921 2.96843 3.7171       0.685556  3.18589      0.60585   34.1793     127.69      1.09846     307.69      
1 1 1 6  16 36 o 55.4576 3.2376  5.45532      0.964508  6.36053      0.862097  41.3002     124.531     9.68251     304.531     
1 1 1 6  16 37 o 49.5952 3.10285 4.51203      0.769327  4.94483      0.809665  43.2183     199.912     5.01346     199.912     
1 1 1 6  16 38 o 35.0623 3.47869 2.15406      0.633973  2.69886      0.57794   29.7174     308.826     3.95226     308.826     
1 1 1 6  16 39 o 27.1825 4.19397 2.02269      0.623661  1.08575      0.537746  24.325      284.117     9.75253     284.117     
1 1 1 6  16 40 o 68.2336 3.17211 8.23911      1.1547    9.90356      1.05402   72.0352     297.526     32.7387     297.526     
1 1 1 6  16 41 o 36.8565 3.42922 2.6254       0.667629  2.78801      0.605098  35.0376     166.934     12.8248     166.934     
1 1 1 6  16 42 o 14.3812 4.09438 0.332302     0.49265   0.205611     0.444556  4.52613     144.916     4.23872     324.916     
1 1 1 6  16 43 o 37.6168 3.32675 2.94758      0.634488  2.74745      0.633732  32.2215     99.751      5.44927     99.751      
1 1 1 6  16 44 o 18.5206 4.33118 0.981744     0.499272  0.451631     0.50755   6.89977     324.399     12.7209     144.399     
1 1 1 6  16 45 o 24.9132 4.33016 1.4592       0.564055  1.32471      0.546746  15.3444     115.052     6.69238     295.052     
1 1 1 6  16 46 o 47.3016 3.35416 4.41318      0.810848  4.86379      0.809507  50.5339     166.468     27.5527     166.468     
1 1 1 6  16 47 o 24.331  4.55697 1.7543       0.614913  1.08403      0.572986  12.0593     176.104     11.796      356.104     
1 1 1 6  16 48 o 29.3182 4.45382 2.01659      0.654455  2.04265      0.658897  27.0511     141.115     12.8003     141.115     
1 1 1 6  16 49 o 15.9163 4.41732 -0.18247     0.596387  1.00051      0.600338  3.62417     116.817     13.5383     296.817     
1 1 1 6  16 50 o 11.2547 3.73668 -0.482017    0.607238  -0.114137    0.516868  0.909224    81.0002     6.07575     261         
1 1 1 6  16 51 o 17.7113 4.72871 0.913935     0.620701  0.712436     0.566236  7.36885     72.0469     6.61319     252.047     
1 1 1 6  16 52 f 15.878  4.53347 0.477806     0.568627  0.688807     0.587291  4.22367     66.8861     0           0           
1 1 1 6  16 53 o 28.3239 4.77878 2.61696      0.709173  1.70819      0.69716   22.3866     71.9942     5.912       71.9942     
1 1 1 6  16 54 o 20.5643 5.15768 1.01032      0.674621  1.61302      0.72509   13.4847     229.834     3.12316     229.834     
1 1 1 6  16 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  17 0  o 204.758 2.13967 76.9603      2.2699    76.9603      2.2699    184.018     180         6.71967     8.65135e-06 
1 1 1 6  17 1  o 140.098 2.27525 36.3323      1.65318   35.7659      1.65139   135.911     33.2663     23.7367     33.2663     
1 1 1 6  17 2  o 159.742 2.49237 46.2883      2.06083   47.4887      2.06654   160.214     52.1865     35.5571     52.1865     
1 1 1 6  17 3  o 263.924 2.61763 129.505      3.58332   126.552      3.57861   300.976     17.4975     124.344     17.4975     
1 1 1 6  17 4  o 204.099 2.52866 76.2014      2.67386   76.8967      2.67658   216.642     324.534     66.1063     324.534     
1 1 1 6  17 5  o 24.6232 3.83571 1.73533      0.485887  0.627962     0.497865  17.0484     246.752     52.6086     246.752     
1 1 1 6  17 6  o 182.949 2.61406 60.6353      2.56483   62.4106      2.38695   178.002     279.755     27.73       279.755     
1 1 1 6  17 7  o 120.967 2.92555 25.5537      1.93084   28.3787      1.71007   118.844     167.519     26.2821     167.519     
1 1 1 6  17 8  o 117.558 2.70356 25.1797      1.63993   25.6911      1.6506    99.3738     330.531     7.75902     150.531     
1 1 1 6  17 9  o 222.16  2.78347 88.6302      3.19757   92.9193      3.21222   213.303     340.719     26.3958     340.719     
1 1 1 6  17 10 o 89.8267 2.59568 15.4951      1.20105   14.2319      1.20903   77.1762     48.7439     1.34409     48.7438     
1 1 1 6  17 11 f 210.477 2.55152 82.6022      2.78423   80.2712      2.78293   234.05      13.9703     0           0           
1 1 1 6  17 12 o 143.501 2.80604 40.9638      2.09903   34.9722      2.0642    147.616     15.3886     41.6334     15.3886     
1 1 1 6  17 13 o 179.165 2.80554 59.4263      2.60964   58.6888      2.60144   172.033     348.617     24.1874     348.617     
1 1 1 6  17 14 o 61.9015 2.80157 6.47955      0.883173  7.70569      0.901422  14.3444     99.3929     75.6827     279.393     
1 1 1 6  17 15 o 111.37  2.57705 23.6259      1.48952   22.0626      1.48087   91.2398     99.218      11.9384     279.218     
1 1 1 6  17 16 o 100.461 2.58931 18.2006      1.33829   18.9865      1.3538    102.55      140.688     34.1843     140.687     
1 1 1 6  17 17 o 65.4369 2.65204 8.06414      0.835924  7.74992      0.949188  37.8423     276.744     31.8761     96.7436     
1 1 1 6  17 18 o 120.67  2.36107 26.8754      1.35182   26.7326      1.58865   129.282     301.743     51.0434     301.743     
1 1 1 6  17 19 o 41.0404 2.88389 2.98905      0.603285  3.28517      0.606439  13.439      317.43      2.78272     137.43      
1 1 1 6  17 20 o 18.5756 3.72225 0.891474     0.410589  0.422848     0.35842   13.0778     354.718     35.8468     354.718     
1 1 1 6  17 21 o 107.561 2.33066 21.7511      1.29722   20.9007      1.29823   91.6723     345.766     2.22808     165.766     
1 1 1 6  17 22 o 24.9528 3.4354  0.786229     0.425549  1.65467      0.426958  0.529896    155.093     15.2078     335.093     
1 1 1 6  17 23 o 86.596  2.2565  14.5194      1.01419   13.1766      1.00664   77.0891     239.109     6.01481     239.109     
1 1 1 6  17 24 o 62.9935 2.3667  7.45689      0.768831  7.23317      0.771048  36.8495     126.769     33.5608     306.77      
1 1 1 6  17 25 o 18.0968 3.77721 0.748081     0.385701  0.491597     0.380348  0.513999    98.2402     9.60182     98.2402     
1 1 1 6  17 26 o 40.9258 2.70765 3.13891      0.570822  3.12479      0.564648  17.7207     340.521     30.9842     160.521     
1 1 1 6  17 27 o 53.8322 2.4615  5.75738      0.68828   5.03558      0.676373  34.7548     67.6459     20.0094     247.646     
1 1 1 6  17 28 o 112.066 2.38104 22.9688      1.37381   23.6348      1.38932   88.1015     33.1915     16.4643     213.192     
1 1 1 6  17 29 o 41.4105 3.18916 3.45136      0.599293  3.05451      0.727288  33.9638     60.8772     2.97338     60.8772     
1 1 1 6  17 30 o 47.7357 2.86969 3.91943      0.699818  4.68641      0.702116  44.0077     161.529     10.9959     161.529     
1 1 1 6  17 31 o 55.2433 2.78134 4.47747      0.785544  7.16599      0.750439  44.1836     86.6735     3.52759     266.674     
1 1 1 6  17 32 o 42.6209 2.9772  2.82983      0.646727  4.14209      0.623591  39.1056     50.5387     9.63625     50.5387     
1 1 1 6  17 33 o 36.6425 3.33225 3.33989      0.614342  1.94041      0.587219  32.2464     27.1033     6.44113     27.1033     
1 1 1 6  17 34 o 15.3053 3.92186 0.4358       0.398311  0.345598     0.404809  4.53389     33.5173     3.7424      213.517     
1 1 1 6  17 35 o 63.5404 2.65673 8.22066      0.877727  7.06886      0.861646  55.7041     212.62      5.80314     212.62      
1 1 1 6  17 36 o 31.3471 3.68223 1.89617      0.604944  2.00792      0.546106  27.2127     234.51      5.99532     234.51      
1 1 1 6  17 37 o 53.0826 2.97968 6.44821      0.813497  4.4819       0.792806  59.4188     182.035     33.2025     182.035     
1 1 1 6  17 38 o 16.9327 4.0703  0.403355     0.438154  0.679538     0.429283  4.04695     99.5416     0.840866    99.5415     
1 1 1 6  17 39 o 25.1828 4.26803 1.38405      0.573296  1.28034      0.52659   13.2118     207.121     11.7339     27.1211     
1 1 1 6  17 40 o 15.0348 4.06546 0.549726     0.453978  0.107991     0.46225   5.10254     63.8825     3.42534     243.882     
1 1 1 6  17 41 o 53.6755 2.77226 6.1903       0.774231  5.02703      0.752763  41.5418     186.066     3.35753     6.06575     
1 1 1 6  17 42 o 14.2793 3.99888 0.229004     0.441443  0.36701      0.440904  3.8036      211.412     9.93382     31.4116     
1 1 1 6  17 43 o 13.8198 4.00206 0.243076     0.460622  0.238526     0.452467  1.93411     331.745     14.064      151.745     
1 1 1 6  17 44 o 30.3458 3.84841 2.20346      0.582343  1.75821      0.58039   25.4625     39.2202     4.89492     39.2202     
1 1 1 6  17 45 o 20.8189 4.42013 0.709033     0.524751  1.29298      0.538048  12.1339     155.516     5.27118     335.516     
1 1 1 6  17 46 o 31.5274 4.16998 1.90467      0.642224  2.60468      0.667519  30.2602     335.474     14.7831     335.474     
1 1 1 6  17 47 o 25.4602 4.52688 2.08534      0.631869  1.09261      0.602387  20.8927     198.447     6.84769     198.447     
1 1 1 6  17 48 f 25.0067 4.77186 2.17272      0.686599  1.06252      0.637969  18.9536     147.915     0           0           
1 1 1 6  17 49 o 23.0013 4.9401  1.37737      0.588897  1.46093      0.696999  17.8132     182.73      9.30687     182.73      
1 1 1 6  17 50 o 11.2132 3.75886 -0.622033    0.614817  -0.131876    0.5733    0.253744    306.957     8.23929     306.957     
1 1 1 6  17 51 o 12.6744 3.92212 0.444544     0.519124  -0.282926    0.509742  1.19412     218.427     4.12999     38.4266     
1 1 1 6  17 52 o 20.3526 4.62284 1.59801      0.608083  0.664021     0.572967  12.0418     275.271     0.909586    95.2714     
1 1 1 6  17 53 f 9.18102 3.17824 -0.476626    0.507117  -0.869755    0.511533  7.97974     256.928     0           0           
1 1 1 6  17 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  18 0  o 80.9589 2.13908 12.0747      0.894833  12.0747      0.894833  102.545     6.52323e-05 74.6376     6.52323e-05 
1 1 1 6  18 1  o 97.0652 2.16519 17.1468      1.13048   17.4959      1.04282   96.6028     143.322     28.1119     143.322     
1 1 1 6  18 2  o 84.7679 2.57835 13.5786      1.1322    12.8922      1.12788   75.7795     208.145     9.13013     208.145     
1 1 1 6  18 3  o 23.9658 3.71168 0.416228     0.460565  1.85828      0.497824  8.51518     354.746     30.9674     354.746     
1 1 1 6  18 4  o 130.547 2.60246 32.8584      1.83658   29.8898      1.68303   119.088     24.9508     8.06317     24.9508     
1 1 1 6  18 5  o 40.9321 3.24237 2.89285      0.669757  3.36375      0.67969   15.6573     41.1562     17.1182     221.156     
1 1 1 6  18 6  o 113.568 2.71603 23.1674      1.59222   24.3345      1.60043   81.1543     111.528     37.4443     291.528     
1 1 1 6  18 7  o 165.811 2.70813 51.1547      2.33065   49.9803      2.32442   183.379     265.053     72.9409     265.053     
1 1 1 6  18 8  o 61.8872 2.84726 8.13116      0.87748   6.09636      0.917522  29.9481     211.403     42.5272     31.403      
1 1 1 6  18 9  o 91.5176 2.58908 15.6483      1.22001   15.2067      1.23111   66.9707     279.704     23.8688     99.7039     
1 1 1 6  18 10 o 161.079 2.52134 49.7026      2.1071    45.7636      2.10094   132.834     80.7685     20.3004     260.768     
1 1 1 6  18 11 o 93.8115 2.57605 16.5863      1.24814   15.842       1.25187   56.1548     217.179     50.2315     37.1793     
1 1 1 6  18 12 f 231.598 2.86998 98.8543      3.44507   98.675       3.44582   185.562     91.5997     0           0           
1 1 1 6  18 13 o 170.841 2.68489 54.022       2.25029   53.4177      2.49705   144.598     103.918     13.0232     283.918     
1 1 1 6  18 14 o 40.52   3.3353  2.81063      0.678265  3.34142      0.693127  26.3559     309.228     117.444     309.228     
1 1 1 6  18 15 o 69.2606 2.75991 9.42481      0.978154  8.32207      0.991563  67.4113     300.848     32.9337     300.848     
1 1 1 6  18 16 o 117.557 2.57702 24.362       1.55405   26.613       1.58163   104.763     55.0712     6.78469     55.0711     
1 1 1 6  18 17 o 61.7538 2.99596 6.90802      0.899948  7.23665      1.0055    49.7923     186.956     3.80136     186.956     
1 1 1 6  18 18 o 113.913 3.04903 24.3101      1.66824   23.7066      1.91374   119.766     83.4472     44.3815     83.4472     
1 1 1 6  18 19 o 76.9838 2.91832 10.2918      1.15059   11.6934      1.1673    82.6919     348.361     40.0456     348.361     
1 1 1 6  18 20 o 43.8299 2.68808 3.64486      0.60584   3.50391      0.603383  34.0533     308.404     5.19343     308.404     
1 1 1 6  18 21 o 76.2342 2.34101 10.3751      0.945218  11.1139      0.897321  65.3046     323.383     0.775006    323.383     
1 1 1 6  18 22 o 80.4534 2.26372 12.6606      0.944464  11.2853      0.937833  79.5941     74.3002     22.3602     74.3002     
1 1 1 6  18 23 o 29.4989 3.10677 1.98483      0.45447   1.34788      0.453046  6.69701     236.77      2.51911     236.77      
1 1 1 6  18 24 o 29.1863 3.58292 1.30336      0.449752  2.00957      0.599383  15.9641     307.723     5.03012     127.723     
1 1 1 6  18 25 o 47.9671 2.51544 3.80774      0.61372   4.7969       0.622355  32.2055     75.1448     13.857      255.145     
1 1 1 6  18 26 o 81.3521 2.40958 12.3992      1.06062   12.1899      0.965497  62.6008     30.2277     13.0337     210.228     
1 1 1 6  18 27 o 35.4607 3.23044 2.43652      0.616017  2.35445      0.542304  23.9978     318.255     6.4092      138.255     
1 1 1 6  18 28 o 38.0557 2.88714 3.13445      0.573191  2.37298      0.542365  32.6742     16.4439     6.74447     16.4439     
1 1 1 6  18 29 o 9.42706 2.99347 -0.190492    0.300185  -0.0809819   0.310295  7.46417     225.773     20.4915     225.773     
1 1 1 6  18 30 o 12.9471 3.57306 0.218833     0.346605  0.198377     0.346404  1.39743     328.231     11.8717     328.231     
1 1 1 6  18 31 o 18.0217 4.1935  0.586815     0.458106  0.646106     0.449769  1.42627     87.0992     22.2926     267.099     
1 1 1 6  18 32 o 58.0393 2.80819 6.45857      0.915672  6.30216      0.756976  39.6714     200.491     17.4324     20.4905     
1 1 1 6  18 33 o 46.1001 2.89238 3.88819      0.687015  4.21741      0.679556  34.443      265.637     6.86709     85.6369     
1 1 1 6  18 34 o 39.6866 3.01937 3.23676      0.615586  2.83081      0.605248  36.6821     350.771     9.85068     350.771     
1 1 1 6  18 35 o 28.7383 3.59146 1.92063      0.521177  1.3898       0.505326  22.355      209.212     0.726175    209.211     
1 1 1 6  18 36 o 60.9645 2.56499 6.85582      0.805905  7.28472      0.807332  60.4602     41.2604     21.4129     41.2604     
1 1 1 6  18 37 o 35.1121 3.347   3.00446      0.625983  1.92521      0.550722  23.6427     214.732     8.351       34.7315     
1 1 1 6  18 38 o 20.9494 4.51077 0.879882     0.502473  0.972061     0.565288  8.4347      83.138      13.5256     263.138     
1 1 1 6  18 39 o 60.2671 2.88026 6.8886       0.935886  7.20841      0.847401  57.6594     211.319     18.2345     211.319     
1 1 1 6  18 40 o 27.3003 4.05061 1.94195      0.543509  1.23211      0.568814  19.162      286.355     2.92251     106.355     
1 1 1 6  18 41 o 44.4908 3.05386 3.55157      0.681667  4.33863      0.704914  39.5781     95.8731     8.90203     95.8731     
1 1 1 6  18 42 o 30.5361 3.89505 1.81339      0.590719  2.16411      0.595104  25.3251     162.107     4.28007     162.107     
1 1 1 6  18 43 o 14.2963 4.0605  0.214986     0.453617  0.415151     0.470396  3.17752     187.846     0.635274    187.846     
1 1 1 6  18 44 f 16.4084 4.34654 0.242616     0.566751  0.768657     0.489447  5.8696      213.811     0           0           
1 1 1 6  18 45 o 12.8495 3.8581  -0.267255    0.459595  0.450142     0.487446  1.65182     214.408     10.6072     34.4075     
1 1 1 6  18 46 o 32.858  4.36378 2.42803      0.683572  2.62308      0.748336  27.5744     281.51      6.62539     281.51      
1 1 1 6  18 47 o 17.2531 4.76398 0.709802     0.605025  0.701117     0.627671  8.9988      296.375     0.858081    296.375     
1 1 1 6  18 48 o 18.4742 4.14434 1.49457      0.55293   0.0015157    0.540234  10.934      203.729     2.23274     203.729     
1 1 1 6  18 49 o 33.61   4.50782 2.73128      0.765359  2.85727      0.747282  29.7944     108.069     11.9507     108.069     
1 1 1 6  18 50 o 20.7776 4.77733 1.80099      0.668559  0.517504     0.650009  12.6981     356.276     1.97726     356.276     
1 1 1 6  18 51 o 18.9372 4.74738 1.44327      0.651412  0.556455     0.568656  10.1145     119.105     2.78279     119.105     
1 1 1 6  18 52 o 16.3222 4.54385 0.969275     0.589649  0.373158     0.578635  7.49807     208.617     1.5816      28.6168     
1 1 1 6  18 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  19 0  o 95.3624 2.29344 16.7482      1.13072   16.7482      1.13072   95.5102     180         19.7152     180         
1 1 1 6  19 1  o 166.387 2.42106 51.1906      1.99132   50.6136      2.17951   127.398     263.016     40.1787     83.016      
1 1 1 6  19 2  o 166.865 2.58962 51.0924      2.32599   51.3462      2.14988   166.591     119.445     38.6446     119.445     
1 1 1 6  19 3  o 180.678 2.70793 61.1126      2.53848   59.041       2.53331   167.565     14.5823     15.0577     14.5823     
1 1 1 6  19 4  o 34.4164 3.5709  2.47935      0.613445  1.9974       0.616255  5.19429     127.094     8.81538     307.094     
1 1 1 6  19 5  f 82.2177 2.79814 11.8096      1.17799   13.1535      1.19838   23.7588     49.9872     0           0           
1 1 1 6  19 6  o 125.036 2.62836 29.5024      1.63525   28.0914      1.76167   126.748     37.3805     36.8585     37.3805     
1 1 1 6  19 7  o 134.152 2.5317  34.9174      1.76425   31.3929      1.75055   120.496     353.232     6.63451     353.232     
1 1 1 6  19 8  o 138.145 2.52171 34.2545      1.79723   36.0266      1.81072   157.238     265.222     75.5965     265.222     
1 1 1 6  19 9  o 98.6819 2.58566 17.9774      1.31093   17.9186      1.32966   83.5411     41.2129     1.21942     221.213     
1 1 1 6  19 10 o 33.4557 3.55085 2.19913      0.5967    2.02957      0.59612   3.58137     111.284     23.4779     291.284     
1 1 1 6  19 11 o 97.8633 2.77097 16.6235      1.46243   18.7604      1.32739   79.3693     92.7015     7.78968     272.701     
1 1 1 6  19 12 o 48.0341 3.40565 4.426        0.838227  4.18948      0.834392  29.3047     101.894     3.19301     101.894     
1 1 1 6  19 13 o 109.145 2.59199 20.8377      1.45135   23.1396      1.47547   92.6728     86.2394     2.26547     266.239     
1 1 1 6  19 14 o 152.68  2.56153 43.7352      2.03098   42.1973      2.0232    133.796     269.088     0.84346     269.088     
1 1 1 6  19 15 o 61.889  2.85219 7.1374       0.902203  7.06653      0.917657  55.2432     245.713     12.8508     245.713     
1 1 1 6  19 16 o 48.2649 3.21879 4.21604      0.754737  4.48802      0.836611  21.0733     356.445     35.4508     176.445     
1 1 1 6  19 17 o 46.7851 3.34525 3.67951      0.780348  4.54549      0.815585  29.5557     216.561     15.181      36.5607     
1 1 1 6  19 18 o 54.6026 3.73769 6.28576      1.04353   4.96585      1.03376   38.3944     46.5583     13.7639     226.558     
1 1 1 6  19 19 o 42.0335 3.8313  3.91497      0.857923  2.83435      0.767234  17.0923     17.9129     34.2509     197.913     
1 1 1 6  19 20 o 78.0741 2.77271 12.4819      1.08866   10.2213      1.13418   69.5631     69.0866     6.53403     69.0866     
1 1 1 6  19 21 o 38.8661 3.11162 3.42871      0.665323  2.31725      0.56308   18.5094     357.238     24.8735     177.238     
1 1 1 6  19 22 o 15.5048 3.6407  0.630831     0.399512  0.237175     0.297858  1.48692     343.92      7.34673     343.92      
1 1 1 6  19 23 o 43.534  2.5722  3.62653      0.584198  3.45751      0.566141  29.2518     125.076     11.1158     305.076     
1 1 1 6  19 24 f 11.4646 3.25267 0.000123948  0.307777  0.209993     0.293199  16.7608     95.8354     0           0           
1 1 1 6  19 25 o 25.8205 3.37399 1.72067      0.439881  0.914539     0.422034  8.01854     105.92      21.3942     285.92      
1 1 1 6  19 26 o 49.6259 2.70017 4.79735      0.690683  4.45941      0.687173  50.4092     118.219     21.2794     118.219     
1 1 1 6  19 27 o 39.2985 2.98635 2.17923      0.579345  3.79897      0.57178   24.6532     240.573     14.3333     60.5732     
1 1 1 6  19 28 o 13.7051 3.60961 0.177409     0.353875  0.37288      0.341998  0.506429    292.35      11.7782     292.35      
1 1 1 6  19 29 o 49.4898 2.58683 4.85273      0.655433  4.38936      0.660662  37.6726     350.173     6.30607     170.173     
1 1 1 6  19 30 o 16.7754 3.70814 0.802615     0.391254  0.241444     0.369112  5.96813     268.995     8.28878     88.9945     
1 1 1 6  19 31 o 62.0714 2.46798 7.59779      0.798239  6.90975      0.782771  61.2443     270.146     19.838      270.146     
1 1 1 6  19 32 o 30.2011 4.19025 2.6347       0.653174  1.16637      0.612791  25.7192     354.655     5.3681      354.655     
1 1 1 6  19 33 o 44.0773 3.14946 3.66426      0.747874  3.8513       0.665019  33.9837     300.805     3.50154     120.805     
1 1 1 6  19 34 o 28.1469 3.64514 1.46892      0.512554  1.71451      0.510687  18.2784     82.2572     6.84297     262.257     
1 1 1 6  19 35 o 38.3945 3.0585  3.27004      0.601143  2.49324      0.586241  31.1178     263.074     1.32115     263.074     
1 1 1 6  19 36 o 29.2392 3.67717 1.75631      0.537188  1.70663      0.536566  27.9657     273.735     13.9263     273.735     
1 1 1 6  19 37 o 69.1805 2.54216 9.56917      0.909724  8.74524      0.905901  63.5335     190.267     14.9773     190.267     
1 1 1 6  19 38 o 33.265  4.16863 1.89636      0.679486  2.7807       0.695578  15.5683     297.66      21.1698     117.66      
1 1 1 6  19 39 o 34.3495 3.92164 2.6737       0.645781  2.2543       0.693191  25.8544     255.867     1.66094     75.8669     
1 1 1 6  19 40 o 33.6361 3.86963 2.55371      0.682874  2.21456      0.620719  22.2925     356.983     7.70144     176.983     
1 1 1 6  19 41 o 17.5805 4.38518 0.782667     0.495905  0.517562     0.511593  9.4303      76.5819     4.53433     256.582     
1 1 1 6  19 42 f 29.5291 3.97639 1.91687      0.587243  1.89397      0.585617  27.2966     143.496     0           0           
1 1 1 6  19 43 o 19.2042 4.45095 1.06208      0.507888  0.624193     0.548706  12.7664     313.339     3.00341     313.339     
1 1 1 6  19 44 o 21.7457 4.33839 1.6171       0.55455   0.631541     0.545489  11.6535     357.221     7.14238     177.221     
1 1 1 6  19 45 o 19.7149 4.44132 0.629386     0.517209  1.26151      0.544283  12.1424     159.686     5.5661      159.686     
1 1 1 6  19 46 o 18.0366 4.71378 0.42944      0.591834  1.15272      0.624751  10.1604     0.731215    2.65171     0.731215    
1 1 1 6  19 47 o 21.9668 4.76293 1.57678      0.630266  0.989747     0.577042  10.6771     208.406     8.86053     28.4057     
1 1 1 6  19 48 o 22.4885 4.81943 1.11626      0.65282   1.6097       0.603813  14.4831     209.773     0.824324    209.773     
1 1 1 6  19 49 o 32.2568 4.47282 3.40846      0.710849  1.86275      0.724886  25.9428     209.333     6.30434     209.333     
1 1 1 6  19 50 o 17.5672 4.82248 0.843831     0.607696  0.868676     0.649931  8.21716     219.48      3.20032     39.4795     
1 1 1 6  19 51 o 17.9366 4.77151 1.5572       0.713182  0.193043     0.605444  6.50553     4.46628     10.0881     184.466     
1 1 1 6  19 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  20 0  o 133.811 2.45329 32.9527      1.69907   32.9527      1.69907   150.648     180         63.308      180         
1 1 1 6  20 1  o 132.696 2.81252 31.2676      1.83829   33.7257      2.02692   137.872     216.429     47.2463     216.429     
1 1 1 6  20 2  o 70.0523 2.88574 9.41337      1.03905   8.74962      1.04621   57.8374     155.275     4.28077     155.275     
1 1 1 6  20 3  o 69.3551 2.87485 8.55019      1.019     9.25519      1.03842   64.0173     239.988     21.4333     239.988     
1 1 1 6  20 4  o 54.9577 2.92475 4.85095      0.784621  6.40695      0.866414  32.2146     95.8045     19.8664     275.804     
1 1 1 6  20 5  o 36.5434 3.29356 2.71262      0.600533  2.30887      0.613606  10.1826     57.6449     10.7347     237.645     
1 1 1 6  20 6  o 42.1693 3.12323 3.35227      0.665594  3.28616      0.679261  19.3862     224.081     15.8427     44.0808     
1 1 1 6  20 7  o 195.711 2.5568  69.8424      2.58756   71.3068      2.60004   172.299     10.7601     0.956421    10.7599     
1 1 1 6  20 8  o 86.9561 2.61976 13.6431      1.16793   14.2871      1.18824   79.3875     35.3683     13.0702     35.3683     
1 1 1 6  20 9  o 90.1025 2.62501 14.0543      1.20899   15.9651      1.23553   61.7328     179.062     30.4136     359.062     
1 1 1 6  20 10 o 87.8624 2.62361 14.3036      1.18725   14.2248      1.19713   84.9523     96.1578     22.1888     96.1578     
1 1 1 6  20 11 o 38.9381 3.81662 2.60597      0.740009  3.1467       0.754621  11.9758     179.926     4.83693     179.926     
1 1 1 6  20 12 o 176.031 2.69374 54.7413      2.32038   59.7654      2.59629   141.946     83.7298     23.9899     263.73      
1 1 1 6  20 13 o 50.5547 2.9918  5.08059      0.771757  4.45685      0.778489  37.4674     55.8454     6.25313     235.845     
1 1 1 6  20 14 o 20.2535 3.59498 -0.289045    0.449356  1.66772      0.537012  0.954209    140.478     12.0671     320.478     
1 1 1 6  20 15 o 130.6   2.71618 30.0893      1.73724   33.1286      1.9373    138.406     181.645     50.9047     181.645     
1 1 1 6  20 16 o 111.434 2.84911 21.4844      1.61571   24.6646      1.66749   109.016     78.9354     26.2278     78.9354     
1 1 1 6  20 17 o 25.7381 4.6784  1.2336       0.566653  1.36977      0.689308  8.40265     109.799     2.62877     289.799     
1 1 1 6  20 18 o 24.7381 4.96581 1.61111      0.690015  0.756457     0.693804  7.09835     256.396     14.74       76.3956     
1 1 1 6  20 19 o 31.1157 4.02867 1.79795      0.648492  1.95853      0.600906  14.4319     124.188     16.4601     304.188     
1 1 1 6  20 20 o 54.3969 3.02123 6.28504      0.845463  4.86164      0.834224  39.8278     260.994     9.82918     80.9941     
1 1 1 6  20 21 o 45.3191 3.21836 3.971        0.738355  3.79405      0.75243   35.5431     355.056     1.20977     175.056     
1 1 1 6  20 22 o 28.592  3.29429 1.80778      0.438052  1.35035      0.489785  14.2541     62.4591     12.8921     242.459     
1 1 1 6  20 23 o 48.5092 2.52376 4.53922      0.630197  4.27384      0.629654  45.6598     80.1137     13.3795     80.1137     
1 1 1 6  20 24 o 20.3566 3.53186 0.860542     0.377427  0.772341     0.362562  4.18618     264.604     0.218387    84.6036     
1 1 1 6  20 25 o 59.6575 2.56477 6.66111      0.785587  6.69518      0.793172  43.167      11.7611     13.1683     191.761     
1 1 1 6  20 26 o 40.7754 2.80149 2.84039      0.590149  3.4838       0.570796  32.6623     285.316     0.403684    105.316     
1 1 1 6  20 27 o 33.8977 2.95666 2.02185      0.508022  2.38718      0.50507   25.9791     17.0236     1.60339     197.024     
1 1 1 6  20 28 o 21.0408 3.78471 1.03066      0.423163  0.744282     0.409296  8.30797     213.415     49.8225     213.415     
1 1 1 6  20 29 o 63.8093 2.44579 7.36856      0.800062  7.95193      0.811294  65.6769     246.329     26.0909     246.329     
1 1 1 6  20 30 o ?       ?       -1.02238     0.253331  -0.637423    0.145269  4.74748     135.577     0           0           
1 1 1 6  20 31 o 25.3008 3.83114 1.12673      0.507141  1.46495      0.468131  21.3536     159.094     13.1828     159.094     
1 1 1 6  20 32 o 29.0735 3.70585 1.67082      0.524121  1.72438      0.55175   24.9462     318.825     6.32259     318.825     
1 1 1 6  20 33 o 12.6896 3.80572 0.138955     0.442964  0.00181291   0.428281  1.29763     205.898     3.42253     25.8983     
1 1 1 6  20 34 o 22.9207 4.01456 1.11222      0.48223   1.07047      0.466754  11.3647     154.051     11.1524     334.051     
1 1 1 6  20 35 o 42.0575 3.06198 4.22461      0.686523  2.76895      0.616796  40.317      223.838     14.6061     223.838     
1 1 1 6  20 36 o 38.4948 3.20513 2.87597      0.653203  2.99942      0.597416  31.8823     44.995      3.40711     44.995      
1 1 1 6  20 37 o 15.5867 4.17453 0.345088     0.463675  0.497358     0.466283  6.41456     19.6086     5.6395      199.609     
1 1 1 6  20 38 o 24.2867 4.37298 0.575423     0.672092  1.97464      0.569923  19.9391     55.9092     5.54698     55.9092     
1 1 1 6  20 39 o 43.178  3.87467 4.26494      0.789746  3.59393      0.880498  38.7749     97.6676     10.1744     97.6676     
1 1 1 6  20 40 o 32.2602 4.11468 2.45046      0.604092  2.10522      0.708152  32.3363     273.119     16.8761     273.119     
1 1 1 6  20 41 f 37.8766 3.40848 3.11527      0.652364  2.88858      0.654493  29.5053     11.6173     0           0           
1 1 1 6  20 42 o 16.6915 4.11927 0.14487      0.481074  0.971685     0.485412  8.42492     74.6186     0.198064    254.619     
1 1 1 6  20 43 o 12.6378 3.82893 0.344767     0.465385  -0.119986    0.456027  2.37417     359.355     4.45249     179.355     
1 1 1 6  20 44 o 10.542  3.44864 0.0482157    0.461665  -0.556436    0.451792  0.271443    0.0665178   2.06847     180.067     
1 1 1 6  20 45 o 16.1846 4.43693 0.368044     0.532587  0.799665     0.551528  4.11697     47.9122     1.01856     47.9122     
1 1 1 6  20 46 o 12.3695 3.92493 0.132547     0.524592  -0.0454876   0.523204  1.26056     358.83      4.3487      178.83      
1 1 1 6  20 47 o 23.0717 4.61831 1.03473      0.595519  1.76121      0.599441  15.4045     297.526     1.9476      297.526     
1 1 1 6  20 48 o 18.1753 4.53545 1.49281      0.63317   0.119803     0.587855  8.09674     200.327     1.93469     200.327     
1 1 1 6  20 49 o 14.8923 4.32732 0.702048     0.55844   0.265722     0.531575  3.59561     56.738      0.407705    236.738     
1 1 1 6  20 50 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  21 0  o 224.222 2.71854 92.5703      3.15759   92.5703      3.15759   240.798     180         87.0112     180         
1 1 1 6  21 1  o 63.4914 3.04281 7.57115      0.991557  7.41248      0.999268  40.2776     272.09      25.1327     92.0897     
1 1 1 6  21 2  o 22.6661 4.25328 0.938103     0.480398  1.04987      0.535739  0.487286    2.5864      15.1047     2.5864      
1 1 1 6  21 3  o 74.2701 2.8518  10.199       1.0915    10.2518      1.09606   71.5363     319.331     19.7412     319.331     
1 1 1 6  21 4  o 13.0672 3.76666 0.207048     0.37449   0.00413596   0.440614  5.08553     175.786     13.1137     175.786     
1 1 1 6  21 5  o 36.0268 3.39994 2.28513      0.594984  2.6206       0.643332  8.4266      279.97      38.7413     99.9696     
1 1 1 6  21 6  o 89.681  2.7099  15.0262      1.20384   14.7543      1.30655   93.719      31.8126     35.4297     31.8126     
1 1 1 6  21 7  o 44.6066 3.10305 3.41162      0.676096  4.04707      0.740357  41.5523     169.149     20.657      169.149     
1 1 1 6  21 8  o 38.6722 3.30927 2.39158      0.611966  3.27669      0.683685  32.2175     175.262     15.1254     175.262     
1 1 1 6  21 9  o 130.832 2.67542 30.0298      1.72074   33.3862      1.90553   118.261     332.451     9.90034     332.451     
1 1 1 6  21 10 o 132.315 2.69271 31.8246      1.7579    33.0305      1.93052   129.57      251.016     30.4041     251.016     
1 1 1 6  21 11 o 42.1202 3.85152 3.2267       0.769799  3.51758      0.872596  35.5783     357.219     7.69487     357.219     
1 1 1 6  21 12 o 29.1904 4.27323 2.43208      0.566455  0.936453     0.693557  15.4392     264.928     0.625245    84.928      
1 1 1 6  21 13 o 35.2379 3.60909 2.33767      0.608278  2.39658      0.670776  26.8646     86.9404     8.20696     86.9404     
1 1 1 6  21 14 o 41.3972 3.50486 3.36841      0.73952   3.12917      0.734039  34.0681     153.756     5.41434     153.756     
1 1 1 6  21 15 o 27.8884 4.25802 1.2215       0.580331  1.84844      0.61949   13.1207     314.47      8.94811     134.47      
1 1 1 6  21 16 o 82.3018 2.95628 11.8704      1.2367    13.4554      1.27576   64.8407     139.889     9.59838     319.889     
1 1 1 6  21 17 o 64.4793 3.29268 7.55288      1.01105   8.10248      1.17341   51.7821     228.033     3.76307     48.0334     
1 1 1 6  21 18 o 34.5054 4.3072  2.92545      0.769694  1.79497      0.70602   18.7846     249.124     15.3735     69.1245     
1 1 1 6  21 19 o 12.6188 3.81626 0.0433167    0.435054  -0.0315395   0.452871  12.3356     227.326     37.2692     227.326     
1 1 1 6  21 20 o 39.0665 3.45108 3.1819       0.676405  2.67526      0.684637  38.0211     140.296     18.5116     140.296     
1 1 1 6  21 21 o 91.9115 2.74341 15.9942      1.29091   15.6752      1.31677   70.3826     57.7336     14.6267     237.734     
1 1 1 6  21 22 o 78.6017 2.81796 12.1813      1.14208   11.0794      1.14448   65.5931     141.969     0.807759    321.969     
1 1 1 6  21 23 o 71.327  2.90409 10.0496      0.939517  9.17917      1.17072   64.9972     69.7595     11.007      69.7595     
1 1 1 6  21 24 o 20.8339 3.64893 1.02358      0.406111  0.71044      0.383031  11.2276     307.676     4.62881     127.676     
1 1 1 6  21 25 o 64.097  2.51943 8.13531      0.861804  7.32295      0.806049  51.114      252.67      4.32994     72.6696     
1 1 1 6  21 26 o 22.687  3.60998 1.07858      0.422419  0.972828     0.406333  16.89       304.092     2.66801     304.092     
1 1 1 6  21 27 o 43.6983 2.68824 3.53014      0.600333  3.72233      0.605158  34.9547     231.039     1.04165     51.0385     
1 1 1 6  21 28 o 14.4918 3.45473 -0.0759091   0.362043  0.667417     0.348996  4.01298     196.629     4.85552     16.6288     
1 1 1 6  21 29 o 22.1393 3.80832 0.859059     0.442505  1.13295      0.427718  14.6736     194.95      1.74164     14.9497     
1 1 1 6  21 30 o 31.1121 3.2738  1.93162      0.51464   1.87751      0.509165  21.3908     281.909     5.71889     101.909     
1 1 1 6  21 31 o 19.9125 4.07256 1.48332      0.577742  0.131178     0.434589  9.29682     335.933     9.30103     155.933     
1 1 1 6  21 32 o 22.2467 4.14744 1.11948      0.491038  0.949294     0.480632  16.2237     301.903     3.14244     301.903     
1 1 1 6  21 33 o 16.947  3.93733 0.901029     0.42905   0.0596693    0.4816    8.15451     133.167     1.94195     313.167     
1 1 1 6  21 34 o 17.9765 4.45061 0.706865     0.496145  0.569058     0.532777  7.08177     298.938     10.1785     118.938     
1 1 1 6  21 35 o 13.356  3.83968 0.257935     0.428723  0.163341     0.404995  2.92186     209.715     1.79479     29.7151     
1 1 1 6  21 36 f 23.2296 4.02069 1.66318      0.508929  0.684757     0.500209  18.4093     218.515     0           0           
1 1 1 6  21 37 o 44.1864 3.222   4.11033      0.733221  3.7814       0.720882  37.5708     127.978     5.90246     127.978     
1 1 1 6  21 38 o 29.1582 3.97427 1.96063      0.601093  1.7307       0.557129  23.5831     123.098     3.41878     123.098     
1 1 1 6  21 39 o 12.3065 3.8221  -0.0196265   0.516079  0.0789049    0.426262  2.53384     57.4872     7.05228     237.487     
1 1 1 6  21 40 o 20.4738 4.74705 1.24835      0.588009  0.752105     0.607295  13.8737     103.203     1.8793      103.203     
1 1 1 6  21 41 o 16.9892 4.2078  0.989442     0.499688  0.226468     0.490609  6.81663     232.599     1.8103      232.599     
1 1 1 6  21 42 o 17.1516 4.22259 1.02401      0.50188   0.260914     0.493806  8.42696     40.3156     3.74726     220.316     
1 1 1 6  21 43 o 19.8805 4.49258 1.32765      0.556993  0.637398     0.536417  13.5027     309.036     3.69115     309.036     
1 1 1 6  21 44 o 24.6793 4.65127 1.22851      0.598447  1.91305      0.634343  17.1244     92.9961     0.576964    92.9961     
1 1 1 6  21 45 o 16.717  4.47443 0.819027     0.524928  0.520168     0.557844  3.83028     97.2663     0.312914    97.2663     
1 1 1 6  21 46 f 28.1944 4.88174 2.07196      0.714645  2.11526      0.700897  17.3901     32.8917     0           0           
1 1 1 6  21 47 o 24.0546 4.64678 0.987151     0.679218  2.14692      0.625358  18.5454     123.306     8.05743     123.306     
1 1 1 6  21 48 o 8.77297 4.26904 -0.537145    0.438667  -1.6304      0.429104  1.03267     181.302     4.66261     181.302     
1 1 1 6  21 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  22 0  o 27.3595 4.07792 1.55404      0.509025  1.55404      0.509025  7.96129     1.37992e-05 29.0197     180         
1 1 1 6  22 1  o 6.77828 2.2784  -0.102357    0.226807  -0.759624    0.243626  13.7769     74.9334     29.7768     74.9334     
1 1 1 6  22 2  o 58.5458 3.75159 5.63359      1.24407   7.34026      0.90694   60.0144     19.1801     25.867      19.1801     
1 1 1 6  22 3  o 29.9493 4.64495 1.90641      0.84081   1.61297      0.561554  4.16053     286.307     55.0429     286.307     
1 1 1 6  22 4  o 62.6113 3.16312 7.20656      1.07984   7.45399      0.952636  44.2898     31.9964     16.0976     211.996     
1 1 1 6  22 5  o 72.0904 2.89769 10.1296      1.07724   9.23917      1.07763   60.3749     353.855     0.418566    173.855     
1 1 1 6  22 6  o 37.56   3.50585 2.56528      0.657769  2.79503      0.673602  24.3377     7.84213     8.44026     187.842     
1 1 1 6  22 7  o 29.9544 3.89081 2.33683      0.562267  1.20375      0.581772  17.232      353.614     2.58263     173.614     
1 1 1 6  22 8  o 84.9473 2.82975 13.3989      1.2318    13.4681      1.2532    73.393      109.766     2.98631     109.766     
1 1 1 6  22 9  o 71.983  2.94018 9.23666      1.07476   10.1154      1.10962   59.9529     288.735     0.760012    108.735     
1 1 1 6  22 10 o 48.0836 3.47941 4.45842      0.913007  4.2883       0.794251  35.8661     150.492     5.48492     330.493     
1 1 1 6  22 11 o 62.5458 3.50802 7.64485      1.115     7.12218      1.13869   58.0379     247.363     13.3894     247.363     
1 1 1 6  22 12 f 13.0116 3.52532 0.555064     0.411577  -0.780131    0.435448  1.82387     66.0449     0           0           
1 1 1 6  22 13 o 16.0485 4.14811 0.633811     0.464605  0.068006     0.48626   1.00129     154.064     8.84403     154.064     
1 1 1 6  22 14 o 49.6272 3.26864 4.78067      0.825435  4.53841      0.836025  51.3955     92.0233     25.4326     92.0233     
1 1 1 6  22 15 o 148.802 2.86501 44.6231      2.20925   38.3119      2.1972    148.332     312.907     43.2092     312.907     
1 1 1 6  22 16 o 84.3265 2.83629 13.9282      1.28067   12.7457      1.1923    69.1111     74.3151     3.80481     254.315     
1 1 1 6  22 17 o 38.8058 4.11355 3.21271      0.835993  2.68227      0.767744  9.66176     318.235     43.9502     138.235     
1 1 1 6  22 18 o 25.7574 4.38136 1.65008      0.621548  1.03683      0.543828  14.554      75.5291     7.46174     255.529     
1 1 1 6  22 19 o 60.0778 2.94912 7.69758      0.910813  6.00297      0.903531  49.0352     77.8961     1.50131     257.896     
1 1 1 6  22 20 o 61.227  2.96688 6.84293      0.92694   7.36656      0.944457  63.757      293.959     26.9273     293.959     
1 1 1 6  22 21 o 34.2627 3.77997 2.77801      0.63553   1.86935      0.64239   27.7898     251.055     2.09563     251.055     
1 1 1 6  22 22 o 57.252  3.198   5.86633      0.885271  6.67006      0.998391  46.0453     248.636     2.44167     68.636      
1 1 1 6  22 23 o 44.5157 3.72476 4.29503      0.834411  3.45232      0.839805  20.4432     328.582     32.2235     148.582     
1 1 1 6  22 24 o 29.6375 4.35752 1.35316      0.655185  2.24609      0.64292   21.7633     201.39      2.12094     21.3902     
1 1 1 6  22 25 f 91.4223 2.48492 15.8355      1.11964   15.6473      1.22762   84.0159     30.7181     0           0           
1 1 1 6  22 26 o 64.8066 2.68098 7.17786      0.933035  8.80677      0.838543  65.958      211.753     26.0805     211.753     
1 1 1 6  22 27 o 38.8266 2.85285 3.03907      0.580815  2.76612      0.550844  28.7326     78.7489     4.47957     258.749     
1 1 1 6  22 28 o 47.7374 2.71665 4.11634      0.654108  4.61398      0.678441  45.5851     322.084     14.8651     322.084     
1 1 1 6  22 29 o 55.0815 2.69691 5.20408      0.735702  6.44627      0.793015  58.6657     208.218     29.298      208.218     
1 1 1 6  22 30 o 30.7015 3.70433 1.76921      0.589716  2.04625      0.540756  17.401      44.8737     12.8224     224.874     
1 1 1 6  22 31 f 30.3321 3.68588 1.78755      0.549269  1.94892      0.567988  20.7485     147.274     0           0           
1 1 1 6  22 32 o 12.4977 3.62255 0.330991     0.399475  -0.0903324   0.375769  2.06178     330.78      5.95553     150.779     
1 1 1 6  22 33 o 50.6529 2.83652 6.05802      0.739886  4.05335      0.715584  48.3659     243.901     16.6793     243.901     
1 1 1 6  22 34 o 22.8849 4.14094 1.39201      0.5079    0.885007     0.492813  14.7455     308.788     3.69143     128.788     
1 1 1 6  22 35 o 33.6636 3.93503 2.91636      0.672264  1.9297       0.639609  28.7876     168.571     6.27432     168.571     
1 1 1 6  22 36 o 17.5796 4.37848 0.669752     0.506174  0.653758     0.485404  10.9862     328.802     0.52142     328.803     
1 1 1 6  22 37 o 36.052  3.59985 2.9144       0.673053  2.57465      0.634854  30.7181     127.917     6.5216      127.917     
1 1 1 6  22 38 o 36.2715 3.58818 2.53682      0.668287  3.06923      0.630344  36.9146     298.041     20.2663     298.041     
1 1 1 6  22 39 o 27.8836 4.29961 1.75692      0.608847  1.83316      0.599029  22.8623     26.4977     6.20654     26.4977     
1 1 1 6  22 40 o 12.7758 3.94336 0.112147     0.513143  0.123486     0.47292   2.19614     118.597     2.60882     298.597     
1 1 1 6  22 41 o 25.7297 4.84587 1.50834      0.654713  1.86836      0.666971  20.113      74.4764     4.78202     74.4764     
1 1 1 6  22 42 o 16.9482 4.44097 0.860694     0.538185  0.509284     0.510797  8.22902     210.415     0.848149    30.4147     
1 1 1 6  22 43 f 13.0917 4.00009 0.432958     0.521965  -0.101649    0.497718  15.651      110.296     0           0           
1 1 1 6  22 44 o 13.5637 3.99632 -0.213133    0.512276  0.616704     0.499436  2.03559     247.3       4.15986     67.3002     
1 1 1 6  22 45 o 28.8277 4.56834 1.55627      0.647318  2.75914      0.706031  23.0396     141.238     6.85109     141.238     
1 1 1 6  22 46 o 12.4957 3.99053 -0.248431    0.556874  0.324951     0.5667    0.7396      98.5092     11.0421     278.509     
1 1 1 6  22 47 o 15.3196 4.37259 -0.131905    0.603011  0.989378     0.59153   6.33185     204.621     1.917       24.6211     
1 1 1 6  23 0  o 17.644  5.45053 0.836316     0.518381  0.836316     0.518381  0.173344    180         9.18408     360         
1 1 1 6  23 1  o 37.721  3.10408 2.69691      0.59462   2.68729      0.5966    25.7659     37.8666     6.18743     217.867     
1 1 1 6  23 2  o 82.5195 2.64108 12.4994      1.11867   12.8662      1.1349    62.3749     253.718     14.3949     73.7184     
1 1 1 6  23 3  o 56.4389 2.86513 5.92216      0.85507   6.00889      0.80905   43.3704     55.3422     5.94355     235.342     
1 1 1 6  23 4  o 18.3523 4.14418 0.6883       0.450261  0.572031     0.441074  0.26846     88.346      14.7981     268.346     
1 1 1 6  23 5  o 32.868  3.62524 2.40071      0.613883  1.78023      0.576208  9.61872     267.348     31.9997     87.3481     
1 1 1 6  23 6  o 95.8627 3.04382 17.862       1.40455   16.577       1.59653   98.249      35.1325     35.1412     35.1325     
1 1 1 6  23 7  o 15.0392 4.11373 0.43845      0.429932  0.0558342    0.515372  0.354207    185.512     2.57777     185.512     
1 1 1 6  23 8  o 22.5484 4.51744 1.52026      0.530077  0.130889     0.784928  4.72833     323.925     19.9839     143.925     
1 1 1 6  23 9  o 43.444  3.64182 3.09796      0.712477  4.17264      0.899532  38.511      253.036     9.11212     253.036     
1 1 1 6  23 10 o 49.3946 3.79373 4.08524      0.924779  5.31801      0.978243  46.5181     11.7362     14.1241     11.7362     
1 1 1 6  23 11 o 36.3178 4.47078 1.84057      0.766346  3.48624      0.834729  28.7919     159.296     2.31664     159.296     
1 1 1 6  23 12 o 33.4964 4.30684 2.09561      0.767893  2.33964      0.665161  19.7969     189.41      12.4208     9.40983     
1 1 1 6  23 13 o 78.7567 3.42031 12.6021      1.64045   11.0099      1.11375   66.0756     15.8964     0.30427     15.8972     
1 1 1 6  23 14 o 94.6143 3.35874 17.7093      1.93169   16.3223      1.30834   86.9386     188.557     15.0462     188.557     
1 1 1 6  23 15 o 39.7805 3.79577 3.58979      0.84788   2.6098       0.680593  26.9606     72.1943     9.98543     252.194     
1 1 1 6  23 16 o 20.9538 4.71135 0.713227     0.573763  1.00727      0.58568   4.53482     247.664     21.0169     67.6639     
1 1 1 6  23 17 o 18.7524 4.58229 0.870848     0.55587   0.381138     0.558514  4.16092     121.363     36.1122     121.363     
1 1 1 6  23 18 o 16.0276 3.99905 0.797911     0.466501  -0.151359    0.480918  2.22404     15.215      15.9215     195.215     
1 1 1 6  23 19 o 20.4684 4.37762 1.10321      0.511555  0.526463     0.537432  2.83112     172.219     37.1647     172.219     
1 1 1 6  23 20 o 49.6728 3.33481 4.65401      0.879716  4.84422      0.813229  38.4212     336.234     4.33545     156.234     
1 1 1 6  23 21 o 87.7941 3.12999 16.2437      1.43003   13.254       1.40048   84.6686     59.43       24.0301     59.43       
1 1 1 6  23 22 o 54.5859 3.72534 6.29315      0.95655   5.37416      1.09736   45.4852     206.403     2.02285     206.403     
1 1 1 6  23 23 o 16.2399 4.07031 -0.464713    0.471148  1.01993      0.569927  5.3177      18.0958     9.15419     198.096     
1 1 1 6  23 24 o 65.6588 3.21023 9.06048      1.03127   7.63023      1.12152   60.9859     160.357     15.0133     160.357     
1 1 1 6  23 25 o 65.1064 3.11726 10.0312      1.04185   6.51624      1.01386   61.1668     179.376     16.6634     179.376     
1 1 1 6  23 26 o 43.1943 3.55426 3.91477      0.788411  3.47305      0.771727  26.9166     357.809     15.2911     177.809     
1 1 1 6  23 27 o 7.10063 2.40971 -0.231151    0.264847  -0.509003    0.249992  4.3478      162.088     11.9896     162.088     
1 1 1 6  23 28 o 21.198  3.8398  0.971997     0.434253  0.887536     0.41348   11.3917     285.326     7.22016     105.326     
1 1 1 6  23 29 o 31.4545 3.58961 2.56162      0.598484  1.50414      0.522135  27.33       103.577     7.28063     103.577     
1 1 1 6  23 30 o 14.2829 3.7721  0.690084     0.453065  -0.164428    0.383237  4.74515     288.524     3.20582     108.524     
1 1 1 6  23 31 o 20.6413 4.0782  1.04421      0.467977  0.779593     0.443003  13.7736     181.953     0.676836    1.95287     
1 1 1 6  23 32 o 40.9883 3.01261 3.17232      0.634318  3.50946      0.624715  36.3766     298.797     9.01278     298.797     
1 1 1 6  23 33 o 18.0002 4.12566 0.471592     0.461375  0.890234     0.446765  10.0252     316.91      3.90729     136.91      
1 1 1 6  23 34 o 46.8801 2.94328 4.67511      0.710984  4.14031      0.70263   42.5064     232.449     11.992      232.449     
1 1 1 6  23 35 f 24.987  4.09014 1.9892       0.538469  0.843941     0.546985  22.3884     195.87      0           0           
1 1 1 6  23 36 o 20.8749 4.83395 1.2318       0.619616  0.873178     0.597067  14.7028     142.332     6.46919     142.332     
1 1 1 6  23 37 o 18.3804 4.47555 0.618667     0.550304  0.932266     0.504909  5.62484     175.592     13.6986     355.592     
1 1 1 6  23 38 o 13.1058 3.87052 -0.172755    0.482797  0.463215     0.452892  2.44762     171.316     8.42603     351.316     
1 1 1 6  23 39 o 18.0536 4.45585 1.15261      0.562087  0.374337     0.525922  10.4349     160.991     1.10492     160.991     
1 1 1 6  23 40 o 13.9872 4.07729 0.516971     0.501491  0.12559      0.469894  4.08619     138.961     3.66567     318.961     
1 1 1 6  23 41 o 10.8323 3.54837 -0.471502    0.524329  0.00578913   0.449877  0.0296399   343.746     4.27388     343.746     
1 1 1 6  23 42 o 13.0921 4.12831 0.0934018    0.521161  0.167114     0.613304  1.19687     318.345     7.47816     138.345     
1 1 1 6  23 43 o 20.9014 4.69204 1.3807       0.587304  0.953603     0.571012  12.7962     205.643     4.38307     205.643     
1 1 1 6  23 44 o 17.2834 4.53137 0.50762      0.562115  1.02425      0.554745  8.13709     10.4408     0.365683    190.441     
1 1 1 6  23 45 o 16.9768 4.54532 0.213302     0.571886  1.21634      0.615717  7.45223     132.124     1.72955     132.124     
1 1 1 6  23 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  24 0  o 44.5547 4.30124 3.92063      0.940994  3.92063      0.940994  58.0159     180         43.1357     180         
1 1 1 6  24 1  o 45.3057 2.90447 3.86058      0.671642  3.8987       0.677763  22.0247     149.603     30.1893     329.603     
1 1 1 6  24 2  o 66.8818 2.71478 8.31137      0.937793  8.47644      0.936569  50.9241     131.37      9.46222     311.37      
1 1 1 6  24 3  o 36.6435 3.38425 3.27093      0.61658   1.96631      0.60376   2.12394     62.6254     64.1887     62.6254     
1 1 1 6  24 4  o 40.0518 3.18567 3.3539       0.654286  2.77973      0.641287  24.8396     7.37978     14.7565     187.38      
1 1 1 6  24 5  o 40.9597 3.09952 3.31787      0.651265  3.07242      0.643852  44.1642     100.416     27.6244     100.416     
1 1 1 6  24 6  o 38.3661 3.27831 2.69267      0.631298  2.95154      0.645604  26.5323     298.648     8.03174     118.648     
1 1 1 6  24 7  o 31.4925 4.08233 1.99611      0.708499  1.92573      0.571415  20.1064     257.277     8.17366     77.2766     
1 1 1 6  24 8  o 23.9241 4.20759 0.673737     0.543584  1.6315       0.543742  9.22895     156.787     16.5376     336.787     
1 1 1 6  24 9  o 30.361  3.95244 1.58177      0.604047  2.07597      0.589173  24.0567     131.409     3.20795     131.409     
1 1 1 6  24 10 o 74.99   3.27298 11.0812      1.32671   10.3451      1.20542   72.9187     302.486     21.4868     302.486     
1 1 1 6  24 11 o 69.4483 3.12797 9.4911       1.09542   8.84881      1.14136   46.4362     106.697     22.6307     286.697     
1 1 1 6  24 12 o 37.3688 3.58857 2.43873      0.678404  3.00442      0.666847  29.4791     256.559     0.305286    76.5592     
1 1 1 6  24 13 o 15.8797 4.01342 0.0134441    0.426738  0.740666     0.475817  3.55669     133.157     11.4026     313.157     
1 1 1 6  24 14 o 43.2936 3.42538 3.56968      0.782049  3.66532      0.726444  32.6905     98.1104     4.78319     278.11      
1 1 1 6  24 15 o 100.941 2.8677  18.6         1.55497   19.9459      1.43065   90.5176     300.742     13.1068     300.742     
1 1 1 6  24 16 o 50.3838 3.73314 4.23106      0.899968  5.71078      1.01756   43.0246     346.192     4.15461     346.192     
1 1 1 6  24 17 o 22.0306 4.6804  0.978646     0.571437  0.996854     0.583386  13.8039     350.757     2.86727     170.757     
1 1 1 6  24 18 o 18.1377 4.59554 0.766403     0.503902  0.313614     0.643554  8.93618     53.5765     3.13799     233.576     
1 1 1 6  24 19 o 32.53   4.57359 2.83092      0.660555  1.56389      0.808497  15.1077     133.398     21.2206     313.398     
1 1 1 6  24 20 o 39.5011 4.42892 3.77633      0.786954  2.61386      0.912252  23.3523     287.338     16.4189     107.338     
1 1 1 6  24 21 o 60.3649 3.6417  7.10696      1.03909   7.21097      1.2105    52.9531     287.938     8.12233     287.938     
1 1 1 6  24 22 o 74.2276 2.99419 11.554       1.13389   9.67249      1.15098   68.7323     277.781     16.8045     277.781     
1 1 1 6  24 23 o 38.6936 4.27905 3.864        0.752888  2.33374      0.839975  26.4547     304.313     8.09981     124.313     
1 1 1 6  24 24 o 17.383  4.64217 0.554458     0.534921  0.483226     0.612484  7.72334     171.151     4.58056     351.151     
1 1 1 6  24 25 o 68.5841 3.28767 9.48869      1.07846   8.93813      1.23181   56.8058     70.5279     3.18366     70.528      
1 1 1 6  24 26 o 22.409  4.89142 0.676719     0.577172  1.51556      0.707049  9.17614     114.182     14.421      294.182     
1 1 1 6  24 27 o 18.9869 4.8679  0.467105     0.574502  0.971218     0.674276  6.82672     34.8005     12.8142     214.801     
1 1 1 6  24 28 f 28.6601 4.79092 1.90787      0.583878  1.70729      0.827629  28.9143     115.247     0           0           
1 1 1 6  24 29 o 12.567  3.56285 -0.064602    0.409083  0.345804     0.339674  2.33766     329.808     8.65423     149.808     
1 1 1 6  24 30 o 20.6715 4.13753 0.485868     0.513919  1.33872      0.48903   12.6083     7.40653     3.81442     187.407     
1 1 1 6  24 31 o 42.2778 3.22311 3.49035      0.724994  3.7627       0.657694  33.0846     18.686      0.417048    18.6859     
1 1 1 6  24 32 o 50.222  2.99249 5.46433      0.817454  4.69714      0.727005  51.0808     85.8523     24.3664     85.8523     
1 1 1 6  24 33 o 35.1087 3.66164 3.49004      0.680045  1.85612      0.586322  28.323      20.256      3.55195     20.256      
1 1 1 6  24 34 o 26.5088 4.27793 2.00684      0.622332  1.24353      0.537051  19.9394     359.282     2.02256     359.282     
1 1 1 6  24 35 f 43.0586 3.53989 3.84284      0.807907  4.07203      0.73476   24.1988     227.892     0           0           
1 1 1 6  24 36 o 12.8906 3.87403 0.50639      0.517717  -0.247424    0.425488  2.34909     128.388     7.70836     308.388     
1 1 1 6  24 37 o 14.319  4.309   0.117148     0.641986  0.405492     0.506603  3.97343     18.6326     1.1413      198.633     
1 1 1 6  24 38 o 9.98785 3.34845 -1.08208     0.60591   -0.0845861   0.409895  3.94683     281.834     18.1116     281.834     
1 1 1 6  24 39 f 14.8986 4.39056 0.545372     0.622644  0.305209     0.499404  11.1505     119.8       0           0           
1 1 1 6  24 40 o 16.5603 4.61002 0.625716     0.647526  0.674362     0.525423  4.29197     134.209     0.467493    314.209     
1 1 1 6  24 41 o 22.1016 5.05499 1.42102      0.718347  1.31188      0.606674  12.8043     276.041     2.4085      96.0406     
1 1 1 6  24 42 o 14.3628 4.27561 -0.158007    0.680581  0.649629     0.519045  3.63611     268.093     6.51338     88.0929     
1 1 1 6  24 43 o 22.3697 5.13455 1.28672      0.713937  1.66923      0.672689  16.0259     70.5519     7.48038     70.5519     
1 1 1 6  24 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  25 0  o 97.0735 3.52934 17.776       1.76515   17.776       1.76515   86.3407     180         9.77719     180         
1 1 1 6  25 1  o 101.632 2.70373 20.3948      1.50843   18.5026      1.33574   91.8737     353.814     14.446      353.814     
1 1 1 6  25 2  o 57.0855 2.80444 5.6604       0.813863  6.68564      0.832246  41.9779     204.155     9.96236     24.1546     
1 1 1 6  25 3  o 15.6751 3.84507 0.699645     0.413681  0.0575822    0.415798  3.30202     217.424     11.7202     37.4238     
1 1 1 6  25 4  o 54.3506 2.85127 4.94931      0.785082  6.28015      0.80249   53.883      244.426     19.375      244.426     
1 1 1 6  25 5  o 53.6123 2.95692 5.83001      0.809548  5.10048      0.817091  39.7178     332.6       8.48636     152.6       
1 1 1 6  25 6  o 18.9732 3.71204 1.33921      0.478268  -0.120123    0.462295  8.34002     34.3819     9.14655     214.382     
1 1 1 6  25 7  o 10.7387 3.40937 -0.291275    0.409677  -0.0575485   0.38798   2.69522     280.336     14.8363     280.336     
1 1 1 6  25 8  o 77.1835 3.06482 11.4389      1.32135   11.2137      1.1128    74.1938     353.448     21.0301     353.448     
1 1 1 6  25 9  o 63.9264 2.8944  7.60999      0.947073  7.89617      0.961027  59.0995     48.5356     13.3581     48.5356     
1 1 1 6  25 10 o 49.478  3.84782 5.25469      0.905176  4.33261      1.00871   52.5705     316.139     26.0729     316.139     
1 1 1 6  25 11 o 39.3259 4.03245 3.98496      0.697619  2.24425      0.804379  38.583      20.208      15.7257     20.208      
1 1 1 6  25 12 o 79.252  2.918   12.2537      1.13484   11.6308      1.24725   81.1349     251.228     32.2385     251.228     
1 1 1 6  25 13 o 48.9453 3.25846 5.6201       0.808456  3.71697      0.795464  44.9695     37.9482     11.2396     37.9482     
1 1 1 6  25 14 o 67.4783 2.89962 8.49298      1.00392   8.87487      1.01478   67.2981     126.624     24.747      126.624     
1 1 1 6  25 15 o 35.109  3.78652 2.87828      0.65039   2.05405      0.665167  26.0804     2.07002     2.8682      182.07      
1 1 1 6  25 16 o 14.8829 4.31486 0.272626     0.530922  0.165859     0.53367   3.98162     153.887     3.80394     333.887     
1 1 1 6  25 17 o 48.8332 3.4201  4.89964      0.889089  4.43007      0.820113  50.9422     184.913     24.6576     184.913     
1 1 1 6  25 18 o 53.0828 3.26839 5.53839      0.842217  5.42376      0.933942  48.4098     290.45      11.8451     290.45      
1 1 1 6  25 19 o 28.1063 4.60784 2.06588      0.652986  1.28186      0.680234  25.9667     245.336     14.2916     245.336     
1 1 1 6  25 20 o 44.2604 3.65442 4.82808      0.84768   3.06061      0.773267  37.9957     7.57924     6.2281      7.57924     
1 1 1 6  25 21 o 16.6679 4.35089 0.161834     0.505903  0.752687     0.530502  3.63742     183.524     31.186      183.524     
1 1 1 6  25 22 o 21.6837 4.40423 0.392425     0.562413  1.54536      0.585844  14.9748     278.596     1.55291     278.596     
1 1 1 6  25 23 f 52.4651 3.35301 6.26006      0.899417  4.67782      0.887797  36.8128     307.375     0           0           
1 1 1 6  25 24 o 49.1048 3.48998 4.41355      0.872158  5.25873      0.873422  43.2379     49.2729     9.173       49.2729     
1 1 1 6  25 25 o 34.6396 4.29876 1.79875      0.718463  3.38532      0.740753  27.9847     21.5185     3.01543     21.5185     
1 1 1 6  25 26 o 15.156  4.30855 0.54214      0.527734  0.0304736    0.545027  5.08173     77.3113     0.22067     77.3112     
1 1 1 6  25 27 o 23.5536 4.64383 0.517199     0.637246  1.96655      0.671534  18.1776     298.68      3.49081     298.68      
1 1 1 6  25 28 o 12.6294 4.04812 -0.367992    0.607363  0.0233634    0.554315  3.23756     96.0934     3.4541      276.093     
1 1 1 6  25 29 o 19.2052 5.18343 1.05446      0.730139  0.520129     0.735016  12.5299     358.522     0.654103    358.522     
1 1 1 6  25 30 o 16.6505 4.12421 1.03123      0.500108  -0.271144    0.582395  9.05484     227.443     1.67265     227.443     
1 1 1 6  25 31 o 18.216  4.1173  0.681856     0.467586  0.793172     0.41699   11.1764     138.917     2.23291     138.917     
1 1 1 6  25 32 o 36.1564 3.29518 2.51346      0.604562  2.96554      0.595621  32.2191     186.979     10.751      186.979     
1 1 1 6  25 33 o 15.6487 4.15065 0.440835     0.477205  0.568075     0.439692  6.17489     21.0686     4.67016     201.069     
1 1 1 6  25 34 o 31.7663 3.99001 1.68606      0.611624  2.92883      0.636328  27.1367     238.373     8.3904      238.373     
1 1 1 6  25 35 o 14.3985 4.01816 -0.0788879   0.502024  0.682973     0.468403  0.595063    81.0497     0.0152556   81.0497     
1 1 1 6  25 36 o 23.3438 4.4664  1.53706      0.574191  1.17529      0.538018  17.3748     190.721     4.70176     190.721     
1 1 1 6  25 37 o 12.5797 3.56305 -1.05628     0.48356   0.700772     0.447153  1.2258      231.576     8.03361     51.576      
1 1 1 6  25 38 o 25.9342 4.72516 1.14721      0.647177  2.41361      0.69578   14.5315     172.737     6.50027     352.737     
1 1 1 6  25 39 o 10.4571 3.50856 -0.172821    0.534878  -0.514022    0.487047  1.06992     1.04068     8.25042     1.04068     
1 1 1 6  25 40 o 14.1305 4.23363 0.0322442    0.571284  0.584528     0.542961  3.06829     267.452     2.14709     87.4521     
1 1 1 6  25 41 o 15.683  4.23017 -0.129356    0.559465  1.05748      0.546029  6.3184      49.5691     1.12947     229.569     
1 1 1 6  25 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  26 0  o 12.102  5.53806 0.0590107    0.817748  0.0590107    0.817748  0.561531    360         14.3596     360         
1 1 1 6  26 1  o 45.1612 4.4118  4.10899      1.01684   4.09413      0.993455  26.2554     265.285     20.3231     85.285      
1 1 1 6  26 2  o 35.979  3.57711 2.70866      0.593379  2.37683      0.688225  25.2005     94.0933     6.40585     274.093     
1 1 1 6  26 3  o 16.0619 4.0134  0.642184     0.417578  0.207116     0.45406   5.7795      17.5177     5.97706     197.518     
1 1 1 6  26 4  o 40.5844 3.42584 3.78998      0.67727   2.67055      0.706011  38.1841     211.608     12.6076     211.608     
1 1 1 6  26 5  o 55.7231 3.06476 5.50583      0.835133  6.42342      0.922057  41.423      357.864     7.59335     177.864     
1 1 1 6  26 6  o 48.6748 3.11571 4.78767      0.778406  4.33999      0.775241  33.2971     27.5517     11.99       207.552     
1 1 1 6  26 7  o 38.0962 3.48395 2.6114       0.66389   3.08641      0.676263  38.4633     322.583     18.36       322.583     
1 1 1 6  26 8  o 12.5643 3.84409 0.256846     0.524551  -0.332785    0.41597   0.567848    143.687     10.1        323.687     
1 1 1 6  26 9  o 17.3227 4.0672  0.0325589    0.46742   0.974804     0.490945  6.41377     65.0298     0.816213    65.0297     
1 1 1 6  26 10 o 44.6932 3.80043 3.80023      0.863136  4.12389      0.860722  41.144      48.0256     11.6644     48.0256     
1 1 1 6  26 11 o 19.9545 4.39817 0.968931     0.506579  0.636297     0.515793  11.0173     234.193     4.1839      54.1934     
1 1 1 6  26 12 o 27.5879 4.13924 1.64917      0.569166  1.47563      0.578133  25.3154     129.903     13.4887     129.903     
1 1 1 6  26 13 f 27.9952 4.20205 1.64221      0.584104  1.58716      0.597678  25.7812     126.396     0           0           
1 1 1 6  26 14 o 24.7165 4.33133 0.950086     0.556402  1.61545      0.567553  12.7401     45.9167     11.1893     225.917     
1 1 1 6  26 15 o 47.6417 3.6828  5.71763      0.822335  3.42123      0.883122  31.6945     62.2526     12.5068     242.253     
1 1 1 6  26 16 o 23.5419 4.88011 1.13452      0.628027  1.24379      0.640462  7.30646     51.9266     20.4371     231.927     
1 1 1 6  26 17 o 33.6215 4.29111 2.86505      0.667797  1.85844      0.74567   23.5051     76.0707     4.63931     256.071     
1 1 1 6  26 18 o 18.7348 4.47315 1.13436      0.565506  0.0833921    0.593649  10.6728     224.978     0.142836    224.978     
1 1 1 6  26 19 o 48.1161 3.5056  4.98056      0.896257  4.26178      0.827339  40.8065     140.709     5.88249     140.709     
1 1 1 6  26 20 o 22.5347 4.55339 1.44029      0.576535  0.744326     0.582386  15.6287     336.559     0.225747    336.559     
1 1 1 6  26 21 o 18.109  4.54121 0.269167     0.542334  0.978926     0.579337  8.90203     182.848     5.81683     2.84759     
1 1 1 6  26 22 o 58.3985 3.24735 7.01321      0.974389  6.55867      0.974751  50.1476     290.496     8.0871      290.496     
1 1 1 6  26 23 o 16.4462 4.53149 0.601009     0.561852  0.315793     0.562249  5.03139     253.01      1.64249     253.01      
1 1 1 6  26 24 o 28.1941 4.54005 2.43964      0.679469  1.16016      0.653997  15.8835     28.6095     10.7292     208.61      
1 1 1 6  26 25 o 28.1686 4.88973 1.88474      0.713757  1.77914      0.703709  18.5167     64.0989     4.9501      244.099     
1 1 1 6  26 26 f 16.2475 4.34506 0.987867     0.588657  -0.272017    0.561289  10.8842     78.7364     0           0           
1 1 1 6  26 27 o 9.80461 3.34469 -0.768228    0.479143  -0.462337    0.53218   3.02009     0.515476    16.3918     0.515476    
1 1 1 6  26 28 o 14.242  4.44545 0.181738     0.624963  0.0120852    0.664811  3.54219     56.1931     0.843603    236.193     
1 1 1 6  26 29 o 19.4676 5.04317 1.04088      0.625477  0.738393     0.735398  4.67333     11.9119     17.7423     191.912     
1 1 1 6  26 30 o 22.4647 5.10937 1.23527      0.663215  1.3378       0.687681  14.3907     32.1086     1.13891     212.109     
1 1 1 6  26 31 o 55.3295 3.63448 6.33156      1.01944   6.91292      1.04043   52.5742     69.0339     21.1415     69.0339     
1 1 1 6  26 32 o 43.7215 4.16409 5.3533       0.807229  3.36614      0.91969   40.2149     15.6547     15.3139     15.6547     
1 1 1 6  26 33 o 17.9274 4.10994 0.447091     0.489294  1.02177      0.444396  7.848       104.285     7.33111     284.285     
1 1 1 6  26 34 o 33.9765 4.10481 1.87224      0.681033  3.57594      0.66405   30.6493     61.1091     13.202      61.1091     
1 1 1 6  26 35 o 17.6017 4.40667 0.811581     0.529574  0.714792     0.475757  7.33285     67.4915     0.265414    67.4916     
1 1 1 6  26 36 o 12.5263 3.83795 0.403475     0.500128  -0.151953    0.441569  0.474628    232.362     8.95837     52.3616     
1 1 1 6  26 37 o 21.8349 4.48761 0.846524     0.594279  1.60601      0.550109  14.3668     168.652     5.9034      168.652     
1 1 1 6  26 38 o 12.9955 3.98058 -0.261812    0.546651  0.492731     0.508356  1.30201     251.138     1.47297     71.1377     
1 1 1 6  26 39 o 12.9244 3.99404 0.589108     0.563922  -0.409816    0.516078  2.64774     212.542     3.80689     32.5419     
1 1 1 6  26 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  27 0  f 11.3185 5.07189 0.150148     0.642512  0.150148     0.642512  9.59435     180         0           0           
1 1 1 6  27 1  o 26.5003 5.45084 1.49275      0.788064  1.57597      0.799356  22.3705     293.971     12.1238     293.971     
1 1 1 6  27 2  o 41.49   3.26915 4.14657      0.674523  2.65475      0.673019  38.2347     265.768     11.7948     265.768     
1 1 1 6  27 3  o 43.2755 3.25025 3.95937      0.731248  3.36337      0.702509  40.982      305.835     14.3644     305.835     
1 1 1 6  27 4  o 12.7279 3.66083 -0.274054    0.414626  0.392662     0.408245  1.46572     55.4163     5.24587     235.416     
1 1 1 6  27 5  o 35.0173 3.74908 2.20534      0.661292  2.71921      0.648971  34.4734     343.059     16.624      343.059     
1 1 1 6  27 6  o 19.003  4.38962 0.6645       0.495704  0.786683     0.500789  8.50727     17.9516     8.18553     197.952     
1 1 1 6  27 7  o 18.0707 4.35958 0.347245     0.527201  0.864959     0.495577  7.91178     272.282     7.011       92.2817     
1 1 1 6  27 8  o 55.4404 3.25086 6.07078      0.96433   5.92835      0.886127  45.8838     2.06744     3.44168     2.06743     
1 1 1 6  27 9  o 26.9513 5.0519  1.86926      0.787938  1.30887      0.651399  18.6452     112.83      1.97187     292.83      
1 1 1 6  27 10 o 19.8396 5.18114 0.629551     0.623486  0.896189     0.784029  10.6242     323.947     3.90699     143.947     
1 1 1 6  27 11 o 51.0813 3.5157  4.8943       0.829236  5.44831      1.00648   42.8269     113.125     4.91625     113.125     
1 1 1 6  27 12 o 31.99   4.19153 2.69546      0.639319  1.59492      0.679657  25.2059     315.436     2.17979     315.436     
1 1 1 6  27 13 o 50.1661 3.38042 4.67006      0.831408  5.28874      0.905964  35.5205     164.668     8.33904     344.668     
1 1 1 6  27 14 o 33.7934 3.98966 2.32851      0.6541    2.37492      0.694048  32.6554     189.278     15.2086     189.278     
1 1 1 6  27 15 o 55.5787 3.53542 7.9677       0.932581  4.56934      0.985148  41.9828     40.8424     3.98807     220.842     
1 1 1 6  27 16 o 23.2628 4.72456 0.779684     0.609947  1.59416      0.636016  18.1817     323.898     5.39016     323.898     
1 1 1 6  27 17 o 31.2749 4.64383 2.03505      0.717381  2.22423      0.74055   29.7939     35.4763     14.1803     35.4763     
1 1 1 6  27 18 o 23.4287 4.82767 1.60041      0.662083  0.865637     0.61531   18.6984     28.1161     5.97595     28.1161     
1 1 1 6  27 19 o 20.1778 4.69166 0.566564     0.576626  1.18976      0.597884  13.05       30.097      0.672173    210.097     
1 1 1 6  27 20 o 16.249  4.46864 0.382406     0.527889  0.545775     0.55496   7.52495     35.1108     4.80373     215.111     
1 1 1 6  27 21 o 46.4298 3.57785 5.16681      0.846814  3.76485      0.827603  34.337      9.27708     3.49906     189.277     
1 1 1 6  27 22 o 22.2913 4.79122 0.960192     0.59721   1.34997      0.619238  12.3559     176.767     7.2993      356.767     
1 1 1 6  27 23 o 16.3049 4.31279 0.925737     0.550299  -0.0982368   0.549658  8.01629     250.448     3.7453      70.448      
1 1 1 6  27 24 o 13.978  4.09263 -0.407603    0.519181  0.624484     0.54656   3.3897      283.103     0.552826    103.103     
1 1 1 6  27 25 o 11.2315 3.6755  -0.63458     0.510269  0.0167462    0.525247  0.891976    164.391     4.26913     344.391     
1 1 1 6  27 26 o 22.8059 4.813   1.83301      0.673929  0.71107      0.640662  17.1863     246.79      6.13874     246.79      
1 1 1 6  27 27 o 21.7353 5.1587  1.48187      0.728123  0.940701     0.657517  13.6432     70.2305     1.0438      250.23      
1 1 1 6  27 28 o 42.566  4.7049  3.64613      0.983027  4.98446      1.00269   41.3248     139.465     19.8539     139.465     
1 1 1 6  27 29 o 12.6384 4.04389 0.0204935    0.550796  -0.0799299   0.587191  1.64092     200.192     9.29734     20.1922     
1 1 1 6  27 30 o 16.5806 4.63664 0.129631     0.616951  0.970828     0.632918  6.04157     125.788     1.37865     125.788     
1 1 1 6  27 31 o 24.5343 5.11953 2.05764      0.72605   1.21051      0.714834  15.8224     182.444     1.52621     2.44449     
1 1 1 6  27 32 o 16.1119 4.56721 -0.0169418   0.629509  0.976438     0.627919  1.03508     161.856     0.0506746   161.856     
1 1 1 6  27 33 o 19.147  5.04051 1.4684       0.721111  0.430711     0.717102  7.32128     301.462     1.86895     301.462     
1 1 1 6  27 34 o 19.1157 5.07261 1.4198       0.732331  0.542195     0.687842  9.082       86.5691     1.56663     86.5691     
1 1 1 6  27 35 o 32.3465 4.15534 2.06163      0.62645   2.98303      0.715593  29.1808     209.797     14.4658     209.797     
1 1 1 6  27 36 o 25.6156 4.08996 0.79534      0.593889  2.55779      0.575114  19.4388     173.638     5.14193     173.638     
1 1 1 6  27 37 o 20.8774 4.16222 0.184165     0.6204    1.91674      0.570266  13.336      280.158     0.479835    280.158     
1 1 1 6  27 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  28 0  o 9.22322 4.39784 -0.201159    0.608019  -0.201159    0.608019  3.87972     180         16.3639     180         
1 1 1 6  28 1  o 42.7338 4.81428 4.18775      1.03629   3.59978      1.02119   32.1207     349.947     2.25014     169.947     
1 1 1 6  28 2  o 18.884  4.25634 0.68237      0.496753  0.779865     0.446718  6.87797     359.554     12.3643     179.554     
1 1 1 6  28 3  o 38.0646 3.36168 3.15844      0.649905  2.61527      0.642449  31.0079     51.2508     3.34938     51.2508     
1 1 1 6  28 4  o 36.3023 3.69858 3.00722      0.666233  2.34405      0.673753  27.6638     254.649     0.480835    74.6493     
1 1 1 6  28 5  f 29.6316 4.14823 2.2462       0.611421  1.45661      0.615014  15.2953     44.3718     0           0           
1 1 1 6  28 6  o 50.8319 3.22172 5.95874      0.835834  4.29232      0.824158  42.5425     61.0017     5.24523     61.0017     
1 1 1 6  28 7  o 23.7521 4.50887 1.04215      0.569762  1.39778      0.572051  17.4888     8.8261      2.00184     8.8261      
1 1 1 6  28 8  o 46.7867 3.45878 5.00363      0.814931  3.78947      0.819824  36.4685     61.438      0.26494     241.438     
1 1 1 6  28 9  o 35.5425 3.93869 2.18494      0.685639  3.06388      0.704718  35.6853     238.658     18.5365     238.658     
1 1 1 6  28 10 o 52.0508 3.81309 5.31412      0.999951  5.74832      1.02746   46.7616     17.1917     12.1555     17.1917     
1 1 1 6  28 11 o 28.0441 4.39297 1.28173      0.614752  2.14819      0.640812  18.6614     256.367     4.46563     76.3672     
1 1 1 6  28 12 o 13.6976 4.04266 0.0201166    0.476495  0.31037      0.49001   3.27647     49.2326     1.18139     229.233     
1 1 1 6  28 13 o 17.7898 4.42713 0.840622     0.512266  0.410461     0.530845  9.15275     120.577     4.65361     300.577     
1 1 1 6  28 14 o 24.9056 4.83021 1.49679      0.597558  1.30561      0.697796  7.53162     103.653     22.2452     283.653     
1 1 1 6  28 15 o 48.3308 4.65516 5.98839      1.17272   4.30431      1.08268   41.4766     259.81      8.1895      259.81      
1 1 1 6  28 16 o 21.4511 5.04852 1.30987      0.738896  0.836819     0.577277  14.0907     83.4591     1.18573     263.459     
1 1 1 6  28 17 o 38.5848 4.1062  3.91877      0.814603  2.54181      0.756194  35.1932     143.859     11.9356     143.859     
1 1 1 6  28 18 o 19.7    4.64728 0.526616     0.563142  1.20217      0.594396  13.4927     304.836     1.80055     304.836     
1 1 1 6  28 19 o 17.7379 4.32858 1.18951      0.566827  -0.0618163   0.55886   5.20519     79.8723     14.1004     259.872     
1 1 1 6  28 20 o 28.982  4.51391 2.31835      0.665936  1.54163      0.662127  28.1786     123.285     20.4426     123.285     
1 1 1 6  28 21 f 30.0499 4.76748 1.95418      0.755351  2.28754      0.695919  16.4571     18.2755     0           0           
1 1 1 6  28 22 o 12.9726 3.98265 -0.612149    0.551334  0.456249     0.539041  2.56288     214.912     5.29143     34.9117     
1 1 1 6  28 23 o 21.4305 5.15904 1.5035       0.735139  0.825572     0.663288  14.022      260.352     1.28433     260.352     
1 1 1 6  28 24 o 15.857  4.69806 0.703854     0.660557  0.0363475    0.685972  5.81145     71.7072     5.93352     251.707     
1 1 1 6  28 25 o 46.5827 4.36885 5.45783      1.01875   4.54602      1.02548   40.8556     165.104     12.0011     165.104     
1 1 1 6  28 26 f 10.7243 3.61869 -0.405586    0.552862  -0.528879    0.570161  13.8508     71.7743     0           0           
1 1 1 6  28 27 o 14.4275 4.59232 0.437782     0.704855  -0.393036    0.802197  4.04285     1.28933     6.6924      181.289     
1 1 1 6  28 28 o 10.7959 3.71642 -0.572129    0.567984  -0.9074      0.763641  0.00554401  323         4.96701     323         
1 1 1 6  28 29 o 15.4519 4.50426 0.815427     0.595137  -0.149344    0.688539  3.35869     273.435     10.5296     93.4348     
1 1 1 6  28 30 o 17.524  4.81493 0.249524     0.633349  1.20674      0.690723  6.33894     359.437     0.494671    179.437     
1 1 1 6  28 31 o 18.0079 4.11629 1.70311      0.62666   -0.754142    0.603567  5.78444     319.069     1.55493     319.069     
1 1 1 6  28 32 o 19.3219 5.14546 1.28169      0.687249  0.782563     0.764525  9.98437     61.6587     1.38466     241.659     
1 1 1 6  28 33 o 14.876  4.37761 1.01346      0.643455  -0.732524    0.680526  4.30648     287.873     2.11889     107.873     
1 1 1 6  28 34 o 31.0094 5.20402 3.43684      0.84008   2.02558      0.862522  22.9006     286.895     2.88773     286.895     
1 1 1 6  28 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  29 0  o 47.537  4.7677  4.72423      1.1067    4.72423      1.1067    33.8452     1.28376e-05 7.75707     180         
1 1 1 6  29 1  o 23.6419 5.42443 1.81114      0.805326  0.757628     0.802901  18.4536     56.5429     5.32172     56.5429     
1 1 1 6  29 2  o 31.3697 5.42712 1.37803      0.897005  3.3542       0.953015  15.8243     15.9531     15.8637     195.953     
1 1 1 6  29 3  o 39.7208 3.46288 2.94575      0.689098  3.48148      0.702718  37.4134     64.6433     14.4352     64.6433     
1 1 1 6  29 4  o 30.1218 4.07673 1.65731      0.603544  2.22369      0.621381  22.4233     35.0089     0.0998875   215.009     
1 1 1 6  29 5  o 35.8921 3.87919 3.40588      0.69482   2.05262      0.670994  35.9881     142.545     18.6864     142.545     
1 1 1 6  29 6  o 24.402  4.4946  1.71588      0.593446  0.949375     0.588197  17.6994     35.3557     0.658693    35.3557     
1 1 1 6  29 7  o 28.9296 4.29739 2.12156      0.617025  1.54139      0.632196  21.8325     39.8479     0.91304     39.8479     
1 1 1 6  29 8  o 25.1566 4.69239 1.46842      0.611664  1.40428      0.630183  12.7396     315.817     11.6269     135.817     
1 1 1 6  29 9  o 59.7844 3.19302 8.44626      0.981786  6.02209      0.959847  58.7608     38.7599     24.7446     38.7599     
1 1 1 6  29 10 o 14.4341 4.39284 0.161786     0.577502  0.171431     0.611263  5.02303     332.651     0.209217    152.651     
1 1 1 6  29 11 o 12.5526 3.89005 -0.0337591   0.483712  0.0872075    0.485868  3.01526     43.7757     6.94804     223.776     
1 1 1 6  29 12 f 33.249  4.13166 2.31222      0.677481  2.49613      0.694656  22.5094     66.0635     0           0           
1 1 1 6  29 13 o 25.9528 4.87322 1.8359       0.639702  1.3263       0.719733  15.2639     318.646     7.26693     138.646     
1 1 1 6  29 14 o 25.2777 5.31206 1.12771      0.732871  2.05955      0.802644  16.7261     56.822      2.3996      236.822     
1 1 1 6  29 15 o 21.1051 5.23777 1.19815      0.73438   0.967528     0.685287  12.7287     228.163     2.54989     48.1634     
1 1 1 6  29 16 o 20.2802 4.65648 0.490962     0.601444  1.38446      0.602381  13.3196     310.361     5.61385     310.361     
1 1 1 6  29 17 o 20.6486 4.83921 1.1766       0.603049  0.868021     0.617281  13.797      248.481     4.31752     248.481     
1 1 1 6  29 18 o 18.6719 4.66824 1.04771      0.57742   0.538195     0.585047  8.92622     271.172     5.61933     91.1716     
1 1 1 6  29 19 o 16.1114 4.38813 0.006584     0.547991  0.903433     0.57172   5.57534     76.5295     0.367289    76.5295     
1 1 1 6  29 20 o 34.128  4.49259 3.05369      0.758149  2.39371      0.767297  26.9843     243.666     4.24831     243.666     
1 1 1 6  29 21 o 18.7367 4.92183 0.922421     0.661234  0.787452     0.613235  10.4407     350.431     0.999227    170.431     
1 1 1 6  29 22 o 17.5414 4.68339 0.0979838    0.609639  1.19919      0.657548  9.12451     251.873     0.804758    251.873     
1 1 1 6  29 23 o 21.4156 4.74842 0.440675     0.628304  1.86916      0.688414  11.0346     271.084     6.82676     91.0843     
1 1 1 6  29 24 o 22.2525 5.11179 1.37953      0.664791  1.28728      0.687371  10.3803     260.95      9.40293     80.9505     
1 1 1 6  29 25 o 22.1453 5.00594 1.70552      0.676535  0.908217     0.683334  13.2483     17.8741     1.70067     197.874     
1 1 1 6  29 26 o 9.82042 3.42257 -1.2824      0.73092   -0.670791    0.522083  0.89438     199.876     4.84866     199.876     
1 1 1 6  29 27 o 17.4054 4.99329 1.29734      0.773391  -0.0717157   0.769383  3.55367     70.5211     13.9763     250.521     
1 1 1 6  29 28 o 29.8703 5.03967 2.1125       0.742302  2.58524      0.799164  25.1916     96.854      11.4061     96.854      
1 1 1 6  29 29 o 16.8872 4.41063 -0.402137    0.607083  1.40091      0.644445  6.68585     73.7183     4.62502     253.718     
1 1 1 6  29 30 o 15.1819 4.49549 -0.0203779   0.625106  0.833549     0.629778  3.38252     285.073     0.529667    105.073     
1 1 1 6  29 31 o 13.096  4.20337 0.0159699    0.616781  0.155229     0.623266  1.61515     276.165     1.34202     96.1645     
1 1 1 6  29 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  29 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  30 0  o 14.8344 6.08141 0.693991     0.763181  0.693991     0.763181  6.94993     6.09683e-05 2.2696      180         
1 1 1 6  30 1  o 26.5094 5.83288 2.47559      0.970112  1.22412      0.868642  22.7491     242.813     10.6205     242.813     
1 1 1 6  30 2  o 18.6869 5.15472 1.10665      0.766238  0.317069     0.723544  10.2761     165.293     3.75223     165.293     
1 1 1 6  30 3  o 14.7759 4.42469 0.217889     0.749446  0.286223     0.437001  2.97685     293.581     12.3896     113.581     
1 1 1 6  30 4  o 19.2271 4.41044 1.14561      0.528931  0.484037     0.529789  12.2804     291.8       4.61804     291.8       
1 1 1 6  30 5  o 28.943  4.27182 1.29537      0.613384  2.52046      0.638397  25.0035     334.045     9.01584     334.045     
1 1 1 6  30 6  o 19.0435 4.59687 0.89922      0.54976   0.747464     0.541719  11.9047     27.3269     2.56344     27.3269     
1 1 1 6  30 7  o 29.8451 4.38446 2.78223      0.661996  1.33663      0.664877  25.3108     286.966     8.10061     286.966     
1 1 1 6  30 8  o 13.9398 4.1166  0.496048     0.530573  -0.104382    0.498114  3.84038     61.7821     6.06078     241.782     
1 1 1 6  30 9  o 22.2374 4.72245 1.56445      0.622265  0.795544     0.601245  16.3687     140.696     5.53222     140.696     
1 1 1 6  30 10 o 22.4479 5.14738 1.8349       0.749523  0.649556     0.729973  16.112      172.72      7.47031     172.72      
1 1 1 6  30 11 o 14.9856 4.37917 0.380922     0.561709  0.317674     0.544695  3.60829     159.434     0.721286    339.434     
1 1 1 6  30 12 o 33.0982 4.82635 2.86851      0.738218  2.34435      0.858093  21.823      127.308     4.87308     307.308     
1 1 1 6  30 13 o 17.5288 4.60717 1.15602      0.620768  -0.0312705   0.642851  8.4921      350.162     1.052       350.162     
1 1 1 6  30 14 o 13.265  4.12935 0.356531     0.58534   -0.250618    0.541106  2.20477     70.7903     8.91296     250.79      
1 1 1 6  30 15 o 13.0244 4.02124 -0.598039    0.531829  0.506493     0.575258  0.964647    255.634     0.744375    75.6337     
1 1 1 6  30 16 o 17.3567 4.55817 1.0338       0.58442   0.246953     0.580993  8.75424     8.10275     0.637754    8.10275     
1 1 1 6  30 17 o 28.5795 4.87835 1.92088      0.712812  2.13876      0.717295  21.5233     58.7582     2.94447     58.7582     
1 1 1 6  30 18 o 18.4008 4.61629 1.32437      0.623081  0.185837     0.607463  6.60181     107.247     10.9693     287.247     
1 1 1 6  30 19 o 15.1403 4.45774 0.39855      0.571456  0.422653     0.586991  3.70552     111.818     10.033      291.818     
1 1 1 6  30 20 o 17.6232 4.74874 0.514444     0.627023  0.956018     0.604993  7.12509     79.7787     1.34238     79.7787     
1 1 1 6  30 21 o 9.04863 3.13382 -0.864721    0.506723  -0.621274    0.487118  1.64866     255.457     6.91364     255.457     
1 1 1 6  30 22 o 15.3769 4.4933  0.781652     0.60627   -0.00938334  0.627445  4.01623     11.2344     2.93589     191.234     
1 1 1 6  30 23 o 16.7617 4.7455  0.819661     0.632544  0.466564     0.633264  5.5994      34.1344     5.28595     214.134     
1 1 1 6  30 24 o 12.0439 3.9129  -0.120045    0.547025  -0.0630493   0.569441  0.143638    49.5182     8.06978     229.518     
1 1 1 6  30 25 o 15.4056 4.47572 -0.0213643   0.608011  0.853185     0.613008  3.50118     43.2204     1.04801     223.22      
1 1 1 6  30 26 o 15.5034 4.51377 -0.422162    0.695461  1.01776      0.647395  4.77883     252.855     1.68838     72.8549     
1 1 1 6  30 27 o 12.8486 4.19623 -0.436799    0.579161  0.371137     0.722372  2.06712     273.396     4.87164     93.3963     
1 1 1 6  30 28 o 21.4025 4.99512 0.747834     0.674988  1.85507      0.708037  14.0488     83.9675     6.83155     83.9675     
1 1 1 6  30 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  31 0  o 11.1618 5.17388 0.119527     0.746963  0.119527     0.746963  0.110604    180         10.2727     360         
1 1 1 6  31 1  o 13.0517 4.30933 0.00269608   0.734532  -0.609252    0.718138  2.28296     0.156938    3.31367     180.157     
1 1 1 6  31 2  o 31.3732 5.09811 4.46111      1.00401   0.830344     0.913293  23.7544     55.7657     2.71295     55.7657     
1 1 1 6  31 3  o 36.4772 5.6064  3.50789      1.03704   3.38781      1.02253   29.4925     339.947     6.11695     339.947     
1 1 1 6  31 4  o 14.0905 4.03195 0.482609     0.463851  0.127325     0.469943  2.05789     98.9227     12.2861     278.923     
1 1 1 6  31 5  o 20.5158 4.39193 1.56466      0.577801  0.394469     0.558146  12.6192     314.481     0.785269    134.481     
1 1 1 6  31 6  o 36.4309 4.08315 2.54084      0.727077  3.44103      0.752115  33.1058     120.793     13.6593     120.793     
1 1 1 6  31 7  o 22.0827 4.63344 0.695005     0.609368  1.68769      0.61286   15.9986     258.938     5.0661      258.938     
1 1 1 6  31 8  o 15.8925 4.50008 0.291135     0.570999  0.675459     0.572749  6.56361     8.38676     1.41636     188.387     
1 1 1 6  31 9  o 22.0071 4.99357 1.11314      0.646293  1.37197      0.650659  15.8537     223.769     6.78102     223.769     
1 1 1 6  31 10 o 14.0179 4.5338  0.0227809    0.661013  -0.0461753   0.817352  3.49953     162.831     1.98571     342.831     
1 1 1 6  31 11 o 36.0857 4.82419 2.8457       0.855412  3.51935      0.881486  32.2537     157.893     12.9018     157.893     
1 1 1 6  31 12 f 10.9707 3.65219 0.00624217   0.568112  -0.784581    0.516071  6.42326     115.361     0           0           
1 1 1 6  31 13 o 19.978  4.80708 0.393628     0.690763  1.52956      0.645045  11.6467     333.729     0.610808    153.729     
1 1 1 6  31 14 o 14.9026 4.34823 -0.114833    0.535692  0.795111     0.612562  4.27316     79.4954     2.50778     259.495     
1 1 1 6  31 15 o 12.2512 3.87026 -0.593149    0.526806  0.370935     0.541884  0.886668    277.082     3.22635     97.0816     
1 1 1 6  31 16 o 10.1893 3.43348 -0.369388    0.500355  -0.453558    0.502819  0.793513    33.1471     5.55453     33.1471     
1 1 1 6  31 17 o 15.8111 4.57832 0.208816     0.58872   0.784781     0.632302  4.18573     214.4       7.57194     34.3997     
1 1 1 6  31 18 o 29.4941 5.00224 2.45121      0.752167  2.06603      0.762304  23.0145     195.063     7.01427     195.063     
1 1 1 6  31 19 o 24.7536 5.23854 1.79324      0.732751  1.57513      0.718442  17.6376     204.732     8.66388     204.732     
1 1 1 6  31 20 o 9.94735 3.36501 -1.57227     0.474783  0.125216     0.537351  0.237808    283.338     1.59577     283.338     
1 1 1 6  31 21 o 26.5888 5.14981 2.23892      0.735591  1.64601      0.748041  20.2961     44.5827     6.81287     44.5827     
1 1 1 6  31 22 o 19.5214 4.96105 0.588313     0.667112  1.48557      0.686515  9.61375     135.867     3.51262     135.867     
1 1 1 6  31 23 o 14.5531 4.43736 0.17806      0.597524  0.541069     0.628305  4.07638     256.974     5.37485     76.9742     
1 1 1 6  31 24 f 15.5738 4.60345 0.722393     0.628998  0.297305     0.633664  10.9725     274.216     0           0           
1 1 1 6  31 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  31 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  32 0  o 28.7487 7.28403 2.48853      0.991821  2.48853      0.991821  28.9498     360         19.6484     360         
1 1 1 6  32 1  o 23.1956 5.45883 0.444988     0.874824  2.51395      0.911778  5.99204     213.754     3.96754     213.754     
1 1 1 6  32 2  o 15.8159 4.81988 -0.325319    0.74639   0.920067     0.779014  4.11129     100.209     0.818322    280.209     
1 1 1 6  32 3  o 16.0165 4.8718  0.926748     0.78203   -0.266364    0.768829  5.37559     307.852     4.44324     127.852     
1 1 1 6  32 4  f 21.6028 5.38582 1.01655      0.870418  1.53442      0.708691  16.7252     125.466     0           0           
1 1 1 6  32 5  o 21.4094 4.91161 0.746879     0.572697  1.69244      0.711317  10.2036     312.709     5.36234     312.709     
1 1 1 6  32 6  f 9.61349 3.21521 -0.844458    0.427774  -0.0319238   0.445857  1.89409     221.66      0           0           
1 1 1 6  32 7  o 13.9012 4.20035 0.391058     0.560358  0.133301     0.515178  1.35435     216.497     1.42495     36.4971     
1 1 1 6  32 8  o 11.1238 3.60683 0.234754     0.517012  -0.763098    0.473057  0.0935045   303.473     3.38415     303.473     
1 1 1 6  32 9  o 36.1234 4.89148 4.94144      0.842247  1.87557      0.926103  24.6375     258.484     2.09373     78.4841     
1 1 1 6  32 10 o 13.2046 4.37528 0.275974     0.762276  -1.14353     0.830917  0.989484    25.4443     3.3205      205.444     
1 1 1 6  32 11 o 15.4729 4.61496 0.391171     0.677732  0.488429     0.595015  3.912       143.521     5.50467     323.521     
1 1 1 6  32 12 o 16.3184 4.6448  0.350718     0.596793  0.800308     0.626318  2.62215     172.084     0.231148    352.084     
1 1 1 6  32 13 o 29.9109 4.83381 3.17848      0.777099  1.50422      0.746214  22.4568     161.4       4.6056      161.4       
1 1 1 6  32 14 o 13.8929 4.40686 0.146851     0.70402   0.151443     0.612375  2.39115     128.352     4.20581     308.352     
1 1 1 6  32 15 o 22.0876 5.16739 1.19468      0.690782  1.54237      0.696908  13.6507     356.264     1.02169     356.264     
1 1 1 6  32 16 o 16.1244 4.64965 0.485956     0.608262  0.69074      0.621451  5.69301     237.053     1.97506     57.0534     
1 1 1 6  32 17 o 18.4432 4.91476 0.948584     0.634754  0.896835     0.64619   9.26314     313.619     0.692433    313.619     
1 1 1 6  32 18 o 11.9891 3.83825 0.433971     0.567865  -0.81399     0.535924  1.20216     335.095     5.64322     155.095     
1 1 1 6  32 19 o 11.329  3.7493  0.166756     0.582866  -0.806499    0.549806  0.23        266.281     10.5048     266.281     
1 1 1 6  32 20 o 15.4338 4.51526 0.954829     0.650897  -0.098014    0.6116    6.00787     356.913     2.4756      176.913     
1 1 1 6  32 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  33 0  o 12.5259 5.60669 0.430692     0.782645  0.430692     0.782645  0.0580736   359.999     0.144118    179.999     
1 1 1 6  33 1  o 19.9629 5.56021 1.57011      0.886937  0.749869     0.846123  9.57623     262.099     4.13815     82.0995     
1 1 1 6  33 2  f 16.926  5.11101 0.935067     0.798424  0.272934     0.828393  6.62446     64.8106     0           0           
1 1 1 6  33 3  o 20.0625 5.63072 1.16122      0.8638    1.25454      0.882754  10.5933     83.3479     0.407362    263.348     
1 1 1 6  33 4  o 23.4716 5.88163 2.089        0.923184  1.40968      0.897802  15.2616     41.7653     7.1812      41.7653     
1 1 1 6  33 5  o 11.3023 3.79797 0.056359     0.70376   -0.476541    0.420539  1.20283     329.112     11.8993     329.112     
1 1 1 6  33 6  o 23.6036 4.89792 1.24261      0.643725  1.74877      0.651912  16.881      294.669     7.51955     294.669     
1 1 1 6  33 7  o 13.4709 4.13598 -0.501185    0.513972  0.718579     0.628299  2.42063     68.4741     5.88883     248.474     
1 1 1 6  33 8  o 17.2    4.67191 1.11233      0.611067  0.22843      0.662713  4.48695     173.414     1.10152     173.414     
1 1 1 6  33 9  o 21.289  5.42595 1.23654      0.767055  1.49475      0.770288  13.0205     146.31      1.67663     146.31      
1 1 1 6  33 10 o 13.7115 4.31682 -0.720149    0.813164  0.52865      0.590111  2.01027     357.436     1.38411     177.436     
1 1 1 6  33 11 o 23.5292 5.5085  1.7108       0.721317  1.64315      0.865323  12.2135     141.16      6.48172     321.16      
1 1 1 6  33 12 o 13.4258 4.10069 -0.716174    0.597414  0.699366     0.585204  2.97786     262.412     3.00815     82.4116     
1 1 1 6  33 13 o 26.9832 5.24118 1.76566      0.76578   2.33989      0.763839  20.7595     328.746     6.48682     328.746     
1 1 1 6  33 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  33 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  33 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 1  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 6  34 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  0  1  o 289.206 2.22755 153.382      3.33849   153.382      3.33849   261.449     270         52.0159     90          
1 1 1 7  0  2  o 45.6412 2.22441 3.87281      0.520424  3.87281      0.520424  2.4888      180         7.5536      180         
1 1 1 7  0  3  o 124.573 2.00423 28.4901      1.29269   28.4901      1.29269   93.796      89.9999     54.6097     89.9999     
1 1 1 7  0  4  o 441.357 2.61069 357.192      5.97183   357.192      5.97183   365.127     180         146.254     7.55385e-06 
1 1 1 7  0  5  o 566.174 2.98978 587.806      8.77333   587.806      8.77333   575.793     90          27.863      90          
1 1 1 7  0  6  o 213.686 2.09939 83.7472      2.3244    83.7472      2.3244    211.239     180         1.32162     1.17192e-05 
1 1 1 7  0  7  o 171.266 2.04732 53.8108      1.81638   53.8108      1.81638   99.5898     270         140.181     90          
1 1 1 7  0  8  o 808.969 3.80328 1200.13      15.9469   1200.13      15.9469   799.911     1.42403e-06 1.6781      180         
1 1 1 7  0  9  o 121.47  2.04315 27.0905      1.28482   27.0905      1.28482   116.232     270         12.3454     270         
1 1 1 7  0  10 o 59.9497 2.22208 6.64173      0.686165  6.64173      0.686165  33.2688     180         149.217     180         
1 1 1 7  0  11 o 9.75891 4.10217 0.187306     0.362406  0.187306     0.362406  29.9505     90          60.6167     90          
1 1 1 7  0  12 o 6.63638 3.19761 -0.201912    0.338771  -0.201912    0.338771  58.1906     180         117.017     180         
1 1 1 7  0  13 o 296.955 2.64494 161.724      4.06988   161.724      4.06988   246.742     90          90.3471     270         
1 1 1 7  0  14 o 572.236 3.49844 600.506      10.3755   600.506      10.3755   640.308     180         157.567     180         
1 1 1 7  0  15 o 334.136 2.75092 204.753      4.76322   204.753      4.76322   318.644     270         17.2261     90          
1 1 1 7  0  16 o 791.831 4.35726 1150.15      17.8821   1150.15      17.8821   775.742     180         3.58643     180         
1 1 1 7  0  17 o 170.389 2.46387 53.2874      2.1741    53.2874      2.1741    23.9384     270         284.482     90          
1 1 1 7  0  18 o 241.253 2.37843 106.759      2.97306   106.759      2.97306   289.252     180         109.011     180         
1 1 1 7  0  19 o 162.161 2.28642 48.2639      1.92018   48.2639      1.92018   187.595     270         63.4622     270         
1 1 1 7  0  20 o 103.506 2.50429 19.7115      1.34007   19.7115      1.34007   5.23456     180         2.32465     180         
1 1 1 7  0  21 o 37.8694 3.13118 2.73608      0.592696  2.73608      0.592696  0.574336    90.0014     1.50468     90.0014     
1 1 1 7  0  22 o 54.4978 3.18641 5.55872      0.88549   5.55872      0.88549   3.13084     9.19318e-06 19.5516     9.19318e-06 
1 1 1 7  0  23 o 202.228 2.76808 75.0943      2.89923   75.0943      2.89923   218.585     270         48.8914     270         
1 1 1 7  0  24 o 72.6062 2.47788 9.73586      0.927604  9.73586      0.927604  39.3797     180         9.22466     8.81786e-06 
1 1 1 7  0  25 o 45.5928 3.4183  3.94236      0.78505   3.94236      0.78505   6.1825      90          72.5682     90          
1 1 1 7  0  26 o 302.589 2.74633 168.081      4.30602   168.081      4.30602   329.025     5.64204e-09 82.6579     5.64204e-09 
1 1 1 7  0  27 o 242.11  2.27399 107.58       2.85272   107.58       2.85272   299.867     90          140.949     90          
1 1 1 7  0  28 o 193.177 2.2093  68.5087      2.21098   68.5087      2.21098   174.841     180         15.0571     8.64711e-06 
1 1 1 7  0  29 o 139.624 2.2068  35.8175      1.59538   35.8175      1.59538   122.891     90          16.856      270         
1 1 1 7  0  30 o 139.585 2.21843 35.8004      1.60332   35.8004      1.60332   62.1378     180         137.272     360         
1 1 1 7  0  31 o 27.1989 4.15255 1.53469      0.513566  1.53469      0.513566  18.5175     90          70.1491     90          
1 1 1 7  0  32 o 20.794  4.99277 1.02889      0.48204   1.02889      0.48204   7.08278     180         21.1806     180         
1 1 1 7  0  33 o 72.505  2.45765 9.71584      0.918815  9.71584      0.918815  88.3863     90          45.6312     90          
1 1 1 7  0  34 o 69.5046 2.48331 8.93717      0.889457  8.93717      0.889457  52.9708     180         21.9559     8.65153e-06 
1 1 1 7  0  35 f 113.275 2.31521 23.6166      1.35685   23.6166      1.35685   38.0027     270         0           0           
1 1 1 7  0  36 o 29.2579 4.13031 1.75223      0.555991  1.75223      0.555991  0.47051     180         4.19466     8.65575e-06 
1 1 1 7  0  37 o 14.6783 5.18563 0.588133     0.481014  0.588133     0.481014  6.86688     270         17.5138     270         
1 1 1 7  0  38 o 105.762 2.7334  20.6727      1.49397   20.6727      1.49397   92.8551     360         5.49457     180         
1 1 1 7  0  39 o 44.6635 3.46088 3.81591      0.776802  3.81591      0.776802  39.9847     90          0.083519    270         
1 1 1 7  0  40 f 85.529  2.43618 13.5408      1.07609   13.5408      1.07609   91.6636     3.63385e-07 0           0           
1 1 1 7  0  41 o 107.673 2.73278 21.4937      1.52079   21.4937      1.52079   105.961     90          20.2731     90          
1 1 1 7  0  42 o 102.146 2.39874 19.3208      1.26692   19.3208      1.26692   107.676     2.83384e-06 34.5303     2.83384e-06 
1 1 1 7  0  43 o 45.0562 2.99118 3.86531      0.683622  3.86531      0.683622  57.4996     270         36.2681     270         
1 1 1 7  0  44 o 5.74517 2.90837 -0.618512    0.400978  -0.618512    0.400978  1.84136     180         4.16913     180         
1 1 1 7  0  45 o 15.9542 5.66541 0.72928      0.575604  0.72928      0.575604  5.46062     270         3.00314     90.0001     
1 1 1 7  0  46 f 38.2088 3.37392 2.85682      0.640106  2.85682      0.640106  41.1926     180         0           0           
1 1 1 7  0  47 o 6.29699 3.18417 -0.702694    0.475266  -0.702694    0.475266  2.93857     89.9999     7.5418      89.9999     
1 1 1 7  0  48 o 15.7837 5.42461 0.722149     0.520405  0.722149     0.520405  2.1442      360         0.227571    360         
1 1 1 7  0  49 o 56.5402 2.88053 6.093        0.833956  6.093        0.833956  57.868      270         19.7544     270         
1 1 1 7  0  50 o 9.39917 4.30785 0.0271118    0.49739   0.0271118    0.49739   1.47185     2.23118e-05 8.54386     2.23118e-05 
1 1 1 7  0  51 o 8.16933 3.91977 -0.204433    0.498133  -0.204433    0.498133  3.47459     270         13.2851     270         
1 1 1 7  0  52 o 24.0889 5.42193 1.44852      0.595978  1.44852      0.595978  25.3716     360         11.8521     360         
1 1 1 7  0  53 o 10.3775 4.64912 0.166494     0.539492  0.166494     0.539492  1.21364     270         7.25152     90.0001     
1 1 1 7  0  54 o 11.3136 4.91279 0.306503     0.555928  0.306503     0.555928  1.57001     360         11.6859     180         
1 1 1 7  0  55 o 9.64689 4.46283 0.0567116    0.55172   0.0567116    0.55172   0.221928    270         6.25659     270         
1 1 1 7  0  56 o 27.9035 6.41113 2.14703      0.820248  2.14703      0.820248  19.4191     360         6.2738      180         
1 1 1 7  0  57 o 10.6201 4.7854  0.229584     0.581349  0.229584     0.581349  0.877473    270         6.67705     90.0001     
1 1 1 7  0  58 o 13.3531 5.64009 0.623311     0.691311  0.623311     0.691311  2.66803     360         1.72944     180         
1 1 1 7  0  59 o 11.0666 4.90431 0.327458     0.582614  0.327458     0.582614  0.0470004   270         4.27053     90          
1 1 1 7  0  60 o 7.35097 3.67934 -0.519499    0.577727  -0.519499    0.577727  1.79719     2.23348e-05 5.58876     2.23348e-05 
1 1 1 7  0  61 o 11.2019 5.15288 0.303572     0.720722  0.303572     0.720722  0.293995    270.001     0.678415    90.0005     
1 1 1 7  0  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  1  0  o 219.78  2.09788 88.5934      2.38903   88.5934      2.38903   136.925     270         162.966     90          
1 1 1 7  1  1  o 247.235 2.14127 114.518      2.74792   109.663      2.73964   192.816     246.511     91.2591     66.5107     
1 1 1 7  1  2  o 180.821 2.03921 60.5596      1.91277   59.3389      1.90982   128.48      160.619     82.6019     340.619     
1 1 1 7  1  3  o 126.274 1.99838 30.5324      1.31099   27.9637      1.30352   48.3691     356.325     130.17      176.325     
1 1 1 7  1  4  o 122.821 2.00097 27.7022      1.27483   27.6108      1.27301   95.8594     177.877     8.39777     357.877     
1 1 1 7  1  5  o 152.633 2.01723 42.2568      1.59411   43.1675      1.59781   109.364     138.572     59.0876     318.572     
1 1 1 7  1  6  o 217.788 2.10193 85.0052      2.36869   88.9337      2.37641   240.186     109.511     73.3828     109.511     
1 1 1 7  1  7  o 169.151 2.04332 50.4595      1.78685   54.485       1.79467   195.383     85.4792     103.545     85.4792     
1 1 1 7  1  8  o 181.873 2.06218 60.9574      1.94583   60.321       1.94241   188         17.0462     45.3843     17.0462     
1 1 1 7  1  9  o 394.223 2.49053 285.723      5.08966   284.148      5.08907   382.634     128.117     3.70755     308.117     
1 1 1 7  1  10 o 195.482 2.09463 70.3756      2.12218   69.7286      2.12275   209.104     258.312     59.9492     258.312     
1 1 1 7  1  11 o 216.609 2.13115 82.7457      2.38519   89.3427      2.39842   180.444     52.9876     48.5366     232.988     
1 1 1 7  1  12 f 191.58  2.17013 66.7102      2.22178   67.8626      2.08497   121.008     181.553     0           0           
1 1 1 7  1  13 o 344.322 2.65708 215.907      4.91779   218.857      4.55759   335.02      228.928     5.30534     228.928     
1 1 1 7  1  14 o 519.177 3.31038 493.445      8.91081   495.292      8.90697   556.668     230.269     103.374     230.269     
1 1 1 7  1  15 o 152.307 2.54886 41.2173      1.91927   43.8704      2.10538   160.239     274.677     71.2604     274.677     
1 1 1 7  1  16 o 306.673 2.58381 171.919      3.94091   172.984      4.26832   337.93      153.745     92.6009     153.745     
1 1 1 7  1  17 o 453.561 3.17212 386.821      6.79843   367.983      8.0318    597.968     205.905     325.727     205.905     
1 1 1 7  1  18 o 169.479 2.37709 53.3572      2.0075    51.985       2.16383   105.066     196.411     100.747     16.4108     
1 1 1 7  1  19 o 279.784 2.28641 142.326      3.31471   144.77       3.31703   251.351     134.688     26.9608     314.688     
1 1 1 7  1  20 o 127.187 2.14122 29.3476      1.41122   29.983       1.41202   112.665     179.764     56.7658     179.764     
1 1 1 7  1  21 o 296.773 2.32978 160.992      3.58241   162.106      3.5856    270.844     78.7668     19.1322     258.767     
1 1 1 7  1  22 o 123.81  2.49053 28.5279      1.59913   27.7701      1.59423   55.1102     7.34559     106.303     187.346     
1 1 1 7  1  23 o 163.298 2.49341 48.9124      2.11023   48.9586      2.11096   124.544     5.79799     47.7159     185.798     
1 1 1 7  1  24 o 259.336 2.43922 123.856      3.28502   123.025      3.27301   232.314     68.1175     22.8416     248.117     
1 1 1 7  1  25 o 79.6709 2.53954 12.2361      1.01009   11.1324      1.07597   39.1354     295.845     21.5864     295.845     
1 1 1 7  1  26 o 361.833 2.79631 245.064      5.03792   236.047      5.43508   371.39      99.095      58.3773     99.095      
1 1 1 7  1  27 o 162.668 2.44477 49.8186      1.97956   47.3889      2.13547   166.907     36.2039     33.4076     36.2039     
1 1 1 7  1  28 o 136.315 2.26316 32.9283      1.54103   35.3368      1.65776   150.065     220.063     53.4109     220.063     
1 1 1 7  1  29 o 135.017 2.28762 33.1141      1.65252   33.8722      1.54495   115.13      343.923     16.0478     163.922     
1 1 1 7  1  30 o 28.1786 3.68109 1.83683      0.543977  1.21209      0.490692  8.0287      295.519     34.3019     295.519     
1 1 1 7  1  31 o 180.286 2.31904 58.6798      2.23247   60.7587      2.09695   209.756     173.104     90.1757     173.104     
1 1 1 7  1  32 o 129.576 2.32878 32.0674      1.62504   29.6981      1.50134   114.795     136.344     4.98768     316.344     
1 1 1 7  1  33 o 81.1494 2.38015 12.4981      1.00608   11.7586      0.991653  52.6717     355.779     37.4532     175.778     
1 1 1 7  1  34 f 95.2047 2.34897 16.2387      1.15527   17.1397      1.15907   63.3903     303.794     0           0           
1 1 1 7  1  35 o 179.9   2.28552 61.4485      2.1399    57.6289      2.12161   150.481     60.427      25.1112     240.427     
1 1 1 7  1  36 o 46.2418 2.89065 3.88663      0.682059  4.06534      0.689311  25.9048     131.269     13.8715     311.269     
1 1 1 7  1  37 o 105.918 2.34646 20.5227      1.2841    20.8601      1.28927   89.9115     87.8897     7.52769     267.89      
1 1 1 7  1  38 o 50.6358 3.21829 4.92853      0.836823  4.6625       0.834122  41.803      199.15      0.695264    199.15      
1 1 1 7  1  39 o 155.282 2.68153 44.6972      2.16011   44.6219      2.1567    163.027     43.5745     49.0562     43.5745     
1 1 1 7  1  40 o 44.3536 3.11707 3.04527      0.687774  4.42032      0.708131  40.4096     102.565     10.0422     102.565     
1 1 1 7  1  41 o 44.9875 3.19845 3.39617      0.704198  4.27741      0.765087  33.9114     48.0775     6.23681     228.078     
1 1 1 7  1  42 o 96.6896 2.58393 16.1377      1.27581   18.7975      1.30595   92.9694     61.5746     17.3422     61.5746     
1 1 1 7  1  43 o 25.0868 4.11903 1.23562      0.524513  1.27713      0.526204  7.94086     190.228     22.6566     10.2276     
1 1 1 7  1  44 o 54.3556 2.97831 5.10323      0.829524  6.14698      0.829294  44.8728     161.483     2.73632     341.483     
1 1 1 7  1  45 o 40.1598 3.68494 3.01763      0.754184  3.29387      0.741481  43.8415     158.552     23.0145     158.552     
1 1 1 7  1  46 o 28.343  4.23129 1.33145      0.601871  1.95221      0.604987  19.3222     121.752     6.6667      301.752     
1 1 1 7  1  47 o 42.501  3.50108 3.29791      0.768918  3.79722      0.73712   33.3853     323.747     3.94506     143.747     
1 1 1 7  1  48 o 36.3992 3.72244 2.94386      0.678036  2.37532      0.678136  36.8669     253.484     15.7028     253.484     
1 1 1 7  1  49 o 15.723  4.27964 0.644495     0.524033  0.0518767    0.503927  6.28987     95.6054     3.87926     275.605     
1 1 1 7  1  50 f 19.3392 4.55302 0.468283     0.559897  1.03965      0.550602  17.3933     86.7328     0           0           
1 1 1 7  1  51 o 14.3523 4.18804 0.0841465    0.506059  0.360504     0.51353   4.67242     97.8942     1.63999     277.894     
1 1 1 7  1  52 o 23.8002 4.31475 2.04206      0.618472  0.495288     0.577292  18.3688     179.054     1.35135     179.054     
1 1 1 7  1  53 o 13.752  4.18638 0.277265     0.55156   -0.00938259  0.536564  5.31131     78.0687     1.62277     258.069     
1 1 1 7  1  54 o 34.0554 4.21864 3.99954      0.720796  1.43749      0.671936  30.3673     311.279     7.57658     311.279     
1 1 1 7  1  55 o 15.3849 3.79448 -1.25864     0.518693  1.24001      0.555688  5.86396     180.325     7.92493     0.324931    
1 1 1 7  1  56 o 12.9045 4.10221 -0.939342    0.638916  0.477972     0.621657  2.44341     241.837     2.10519     61.8374     
1 1 1 7  1  57 o 22.2387 4.34637 2.44109      0.709782  -0.0279848   0.63781   16.2963     126.513     1.67176     126.513     
1 1 1 7  1  58 o 27.3582 5.09867 2.44836      0.714901  1.72019      0.798585  24.9711     221.585     14.0494     221.585     
1 1 1 7  1  59 o 29.9995 4.69053 3.79906      0.816212  1.22981      0.718104  22.8373     49.9051     2.36629     49.9051     
1 1 1 7  1  60 o 11.572  3.8868  -0.304352    0.630657  -0.239211    0.633611  0.459689    79.6091     1.75924     259.609     
1 1 1 7  1  61 o 12.542  4.1258  0.0861659    0.667474  -0.0914173   0.631367  2.56953     26.885      3.97854     206.885     
1 1 1 7  1  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  2  0  o 259.323 2.16661 123.325      2.91149   123.325      2.91149   271.465     90          27.9194     90          
1 1 1 7  2  1  o 205.359 2.07246 77.2965      2.20665   77.3453      2.20561   171.164     149.509     46.4675     329.509     
1 1 1 7  2  2  o 206.921 2.07423 77.9479      2.2239    79.0563      2.22565   156.867     51.4431     79.6545     231.443     
1 1 1 7  2  3  o 314.324 2.28016 185.582      3.72156   176.781      3.70738   296.151     16.1701     18.6251     196.17      
1 1 1 7  2  4  o 266.981 2.18297 130.166      3.02009   131.206      3.022     323.283     306.614     139.275     306.614     
1 1 1 7  2  5  o 93.8548 2.08924 15.1672      1.04096   17.1953      0.981655  38.263      36.2836     2.01269     216.284     
1 1 1 7  2  6  o 370.624 2.6208  249.507      5.37401   254.248      4.66383   397.46      63.8052     73.083      63.8052     
1 1 1 7  2  7  o 191.135 2.13996 67.5778      2.19573   66.3726      2.04314   124.024     200.021     113.033     20.0214     
1 1 1 7  2  8  o 192.516 2.14846 68.487       2.21719   67.4032      2.06935   158.148     55.0806     44.1384     235.081     
1 1 1 7  2  9  o 504.503 2.89625 467.833      7.31833   465.58       7.82028   429.993     23.9761     129.48      203.976     
1 1 1 7  2  10 o 106.749 2.24355 21.3254      1.14677   20.4966      1.32311   54.8597     242.066     18.6645     242.066     
1 1 1 7  2  11 o 307.393 2.3704  171.886      3.64748   174.584      3.90398   311.986     304.155     32.6689     304.155     
1 1 1 7  2  12 o 314.915 2.31485 182.742      3.77874   180.884      3.77865   344.648     346.623     85.1676     346.623     
1 1 1 7  2  13 o 283.048 2.4115  148.282      3.54189   145.494      3.53427   271.593     66.8043     2.05211     66.8043     
1 1 1 7  2  14 o 67.7155 2.84784 7.81208      0.991372  9.0884       0.99454   16.5149     320.465     119.46      320.465     
1 1 1 7  2  15 o 126.709 2.44043 28.9802      1.60154   29.9414      1.60092   27.4566     34.4343     172.6       214.434     
1 1 1 7  2  16 o 410.781 2.57179 313.649      5.47829   305.208      5.47333   374.961     123.906     42.9043     303.906     
1 1 1 7  2  17 o 422.52  2.60344 330.023      5.7046    324.733      5.69913   405.791     103.109     2.3013      283.109     
1 1 1 7  2  18 o 144.447 2.27789 39.2477      1.70892   37.2825      1.70159   129.007     217.894     11.5329     217.894     
1 1 1 7  2  19 o 188.111 2.30692 64.963       2.25222   64.82        2.24669   158.875     313.534     26.8208     133.533     
1 1 1 7  2  20 f 78.1031 2.26076 10.7575      0.910853  11.664       0.914845  18.3929     333.753     0           0           
1 1 1 7  2  21 o 261.78  2.26788 123.463      3.07258   127.948      3.08169   229.663     348.443     32.2897     168.443     
1 1 1 7  2  22 o 174.769 2.49923 57.7809      2.27151   54.3331      2.25561   145.217     99.693      26.4397     279.693     
1 1 1 7  2  23 o 101.306 2.77437 16.8203      1.43895   21.0347      1.45741   57.5794     238.229     52.7802     58.2288     
1 1 1 7  2  24 o 266.118 2.45306 132.324      3.3926    127.674      3.3746    281.295     9.26474     63.5056     9.26474     
1 1 1 7  2  25 o 96.906  2.21826 17.2348      1.11253   17.271       1.11309   99.4679     30.6648     58.3001     30.6648     
1 1 1 7  2  26 o 98.377  2.22836 18.1718      1.14072   17.3988      1.12886   102.532     33.3935     34.1239     33.3935     
1 1 1 7  2  27 o 128.264 2.34822 30.5721      1.55776   29.8907      1.56193   131.243     3.46469     29.9696     3.4647      
1 1 1 7  2  28 o 206.419 2.30841 78.364       2.38245   78.1379      2.55424   159.973     119.552     64.927      299.552     
1 1 1 7  2  29 o 177.786 2.21441 59.1084      2.0464    56.9949      2.03475   175.752     358.283     23.9279     358.283     
1 1 1 7  2  30 o 89.171  2.28153 14.9429      1.05675   14.3104      1.04872   97.928      154.223     49.2565     154.223     
1 1 1 7  2  31 o 125.728 2.24219 29.7896      1.46227   28.3135      1.45841   153.996     236.106     85.9194     236.106     
1 1 1 7  2  32 o 160.434 2.3204  45.6942      1.85793   48.9261      2.00202   120.723     179.429     52.2565     359.429     
1 1 1 7  2  33 o 86.1675 2.44859 14.006       1.054     13.3444      1.12542   61.2741     61.1929     29.4507     241.193     
1 1 1 7  2  34 f 76.6137 2.5204  10.9159      0.966181  10.7279      1.02856   68.6104     346.288     0           0           
1 1 1 7  2  35 o 71.6505 2.63918 9.62089      0.983304  9.33962      0.970343  57.4816     275.913     5.14893     95.9131     
1 1 1 7  2  36 o 62.6499 2.69764 6.77997      0.893103  7.76271      0.843098  42.4384     25.9164     18.7375     205.916     
1 1 1 7  2  37 o 164.838 2.3034  48.4179      1.96637   51.7364      1.96837   156.425     255.371     17.0161     255.371     
1 1 1 7  2  38 f 71.7107 2.83596 8.64529      1.08157   10.4934      1.00037   64.9583     34.2187     0           0           
1 1 1 7  2  39 o 57.2474 3.08894 6.49532      0.984694  5.76871      0.834891  33.8239     203.272     31.2195     23.2722     
1 1 1 7  2  40 o 125.192 2.49289 27.909       1.60768   30.2496      1.62316   107.05      18.6592     7.592       198.659     
1 1 1 7  2  41 o 11.8347 3.61666 -0.159964    0.405338  0.069034     0.414209  26.6701     13.3162     67.6149     13.3162     
1 1 1 7  2  42 o 67.6994 2.74664 7.90231      0.947651  9.30125      0.96848   54.474      275.398     7.75444     95.3978     
1 1 1 7  2  43 o 40.1903 3.11028 3.41631      0.642906  2.76077      0.626746  34.0405     150.623     2.25013     150.623     
1 1 1 7  2  44 f 20.9009 4.41555 0.698637     0.525275  1.03804      0.517853  22.4101     180.595     0           0           
1 1 1 7  2  45 o 50.2957 3.31579 5.32663      0.860527  4.43454      0.843465  56.5964     13.9315     29.5118     13.9315     
1 1 1 7  2  46 o 27.1151 4.19874 1.95065      0.593332  1.07991      0.56621   22.482      288.825     3.18631     288.825     
1 1 1 7  2  47 o 25.3619 4.07598 1.94896      0.551231  0.74108      0.539296  22.0928     345.204     7.19843     345.204     
1 1 1 7  2  48 f 20.3975 4.62942 0.660201     0.548518  1.04922      0.574701  9.00189     66.7136     0           0           
1 1 1 7  2  49 o 34.2871 3.79421 2.03711      0.639687  2.7554       0.655028  24.9895     231.601     5.37986     51.601      
1 1 1 7  2  50 o 31.0508 3.94483 2.04305      0.611881  1.94553      0.611164  28.8916     107.085     9.83349     107.085     
1 1 1 7  2  51 o 11.3091 3.61342 0.19461      0.503606  -0.881249    0.467781  0.986986    8.40525     7.15654     188.405     
1 1 1 7  2  52 o 50.2042 3.1806  5.75332      0.823713  4.41553      0.803055  50.4181     43.3324     19.3608     43.3324     
1 1 1 7  2  53 o 10.7412 3.55438 -0.202853    0.487638  -0.499333    0.508043  0.00693761  164.063     11.8217     344.062     
1 1 1 7  2  54 o 19.7718 4.41905 1.46895      0.587645  0.27502      0.554956  15.2113     311.471     5.43729     311.471     
1 1 1 7  2  55 o 20.4337 4.87266 1.38805      0.646028  0.692806     0.622071  12.7528     117.956     2.65119     297.955     
1 1 1 7  2  56 o 24.7573 5.07895 1.29578      0.716075  1.97051      0.700636  21.4054     124.766     9.86227     124.766     
1 1 1 7  2  57 o 19.2098 4.9528  1.35998      0.681861  0.609238     0.647499  11.164      108.295     3.22307     288.295     
1 1 1 7  2  58 o 31.6218 4.57406 3.32293      0.746865  1.82972      0.710847  30.5451     349.899     16.0414     349.899     
1 1 1 7  2  59 o 12.4199 4.05883 -0.515981    0.615042  0.282609     0.639714  0.64668     296.074     1.9474      116.074     
1 1 1 7  2  60 o 16.5341 4.84241 0.900146     0.688699  0.552254     0.67867   5.38907     202.646     0.695867    202.646     
1 1 1 7  2  61 o 10.3534 3.55642 -0.831973    0.594385  -0.29722     0.610749  0.288882    79.3759     5.60751     259.376     
1 1 1 7  2  62 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  3  0  o 219.041 2.41047 88.0163      2.73541   88.0163      2.73541   278.163     90          122.065     90          
1 1 1 7  3  1  o 88.0397 2.2104  14.1203      0.971097  14.338       1.04241   2.97657     90.3018     135.548     270.302     
1 1 1 7  3  2  o 352.613 2.56095 231.86       4.34462   224.16       4.98353   386.689     208.325     87.7755     208.325     
1 1 1 7  3  3  o 461.919 2.88491 399.083      6.39951   383.597      7.36106   482.07      348.087     58.036      348.087     
1 1 1 7  3  4  f 331.896 2.50934 205.829      4.00082   198.161      4.59998   329.974     132.328     0           0           
1 1 1 7  3  5  o 430.582 2.6698  346.09       5.76143   333.882      6.142     427.655     29.1542     12.3951     29.1543     
1 1 1 7  3  6  o 284.595 2.2237  148.423      3.28057   148.552      3.28035   289.439     2.95214     31.4618     2.95214     
1 1 1 7  3  7  o 152.8   2.0366  42.1795      1.61246   43.4264      1.61348   56.447      34.7504     171.094     214.75      
1 1 1 7  3  8  o 175.324 2.05927 57.534       1.87449   55.1762      1.86798   154.968     60.456      11.4698     240.456     
1 1 1 7  3  9  o 392.011 2.48657 285.642      5.05764   277.866      5.04731   461.002     73.315      162.01      73.315      
1 1 1 7  3  10 o 460.386 2.67166 391.1        6.37959   386.148      6.37187   431.041     180.614     36.5638     0.614468    
1 1 1 7  3  11 o 305.414 2.28491 171.197      3.6178    170.815      3.61688   290.641     41.384      6.23602     221.384     
1 1 1 7  3  12 o 235.152 2.48752 100.887      3.03048   101.879      3.03371   212.564     268.556     19.5973     88.5563     
1 1 1 7  3  13 o 285.778 2.60055 152.48       3.85623   147.032      3.84764   330.147     102.209     118.608     102.209     
1 1 1 7  3  14 o 341.357 3.01653 211.817      5.33178   215.579      5.34323   396.954     317.927     140.984     317.927     
1 1 1 7  3  15 o 438.345 2.81987 352.156      6.40904   352.569      6.40559   388.879     331.531     70.3708     151.531     
1 1 1 7  3  16 o 271.094 2.25738 135.318      3.17424   134.174      3.17006   235.437     321.745     43.801      141.745     
1 1 1 7  3  17 o 327.862 2.37403 198.962      4.03801   195.257      4.03114   308.075     358.544     9.87673     178.544     
1 1 1 7  3  18 o 245.813 2.22411 110.666      2.83433   110.928      2.83357   195.315     259.161     72.6302     79.1612     
1 1 1 7  3  19 o 346.51  2.59657 221.194      4.66599   219.28       4.66169   363.402     39.3487     67.9952     39.3487     
1 1 1 7  3  20 o 186.734 2.31458 63.535       2.23967   64.3766      2.24107   145.668     312.046     51.0302     132.046     
1 1 1 7  3  21 o 268.216 2.27767 131.652      3.16672   132.267      3.16665   262.163     45.9623     22.0346     45.9624     
1 1 1 7  3  22 o 51.5074 3.03058 4.66459      0.776186  5.15062      0.827692  6.96487     282.234     39.3816     282.234     
1 1 1 7  3  23 o 258.228 2.8664  125.342      3.85412   119.574      3.81866   205.451     69.7006     74.8771     249.701     
1 1 1 7  3  24 o 215.33  2.21765 86.0977      2.48055   84.0853      2.46991   253.985     57.1214     110.287     57.1215     
1 1 1 7  3  25 o 73.2404 2.30893 10.882       0.883559  8.89989      0.860565  49.7605     335.696     17.5242     155.696     
1 1 1 7  3  26 o 104.606 2.20685 19.6761      1.18943   20.5369      1.20097   71.0949     120.403     47.3409     300.403     
1 1 1 7  3  27 o 70.4478 2.42783 8.90726      0.905301  9.36918      0.860289  24.2923     77.126      73.7875     257.126     
1 1 1 7  3  28 o 37.0021 3.17267 2.28029      0.587769  2.84745      0.598729  2.09354     49.9807     46.8233     49.9807     
1 1 1 7  3  29 o 56.1818 2.5147  6.55868      0.734114  5.13185      0.716408  10.3256     97.3178     116.416     97.3178     
1 1 1 7  3  30 o 63.8774 2.46267 7.55372      0.81697   7.48693      0.807711  28.977      56.7792     18.5615     56.7792     
1 1 1 7  3  31 o 206.559 2.2605  77.1729      2.4153    79.5985      2.42512   211.045     230.707     42.1928     230.707     
1 1 1 7  3  32 o 132.429 2.24859 32.9844      1.55041   31.4681      1.53635   118.475     109.445     2.86513     289.445     
1 1 1 7  3  33 o 24.7147 3.93729 1.82731      0.533091  0.575394     0.498166  10.2593     261.393     43.0299     261.393     
1 1 1 7  3  34 o 144.911 2.27049 38.9864      1.70722   38.2322      1.7037    129.477     71.0652     2.38577     251.065     
1 1 1 7  3  35 o 34.9899 3.41008 2.78141      0.594103  1.87234      0.58983   0.505326    157.614     48.2578     157.614     
1 1 1 7  3  36 o 161.806 2.28496 46.1122      1.90336   50.3326      1.92782   165.879     229.382     41.7626     229.382     
1 1 1 7  3  37 o 102.372 2.34392 18.9309      1.23703   19.7496      1.24708   94.8263     326.15      9.16997     326.15      
1 1 1 7  3  38 o 19.8612 4.54981 0.765412     0.529949  0.679719     0.541145  1.51249     110.954     22.3512     110.954     
1 1 1 7  3  39 o 22.4453 4.34263 1.54498      0.557798  0.287558     0.611734  1.84827     79.2697     34.725      79.2697     
1 1 1 7  3  40 o 18.7317 4.02571 0.159451     0.457391  1.08111      0.485383  0.530878    295.928     3.4965      115.928     
1 1 1 7  3  41 o 24.4427 4.26366 1.17545      0.52158   1.18856      0.552138  3.67921     264.189     27.9972     84.1888     
1 1 1 7  3  42 f 24.454  4.34636 1.56793      0.552424  0.816296     0.580402  46.7771     295.088     0           0           
1 1 1 7  3  43 f 61.6226 2.97219 7.44406      0.989613  6.92616      0.89789   56.1411     135.522     0           0           
1 1 1 7  3  44 o 16.914  4.38077 0.439009     0.511798  0.516939     0.493344  3.00421     201.74      15.4716     21.7402     
1 1 1 7  3  45 o 45.6921 3.55087 4.12733      0.872106  3.9859       0.78045   28.1226     197.541     21.101      17.5406     
1 1 1 7  3  46 o 20.794  4.53312 1.27362      0.605663  0.469778     0.514633  8.82181     112.834     13.7662     292.834     
1 1 1 7  3  47 o 77.4391 2.57444 11.1036      1.02579   11.6524      1.03497   70.5866     338.25      9.68501     338.25      
1 1 1 7  3  48 o 22.0118 4.5112  0.8443       0.56712   1.18453      0.536235  12.1249     216.861     8.67194     36.8608     
1 1 1 7  3  49 o 49.8564 3.23353 5.16695      0.816149  4.6108       0.832542  48.9011     254.706     15.794      254.706     
1 1 1 7  3  50 o 26.7477 4.30581 1.63974      0.590172  1.41073      0.577984  23.4275     157.38      7.13566     157.38      
1 1 1 7  3  51 o 63.4579 2.85592 7.05612      0.915271  8.75875      0.947878  66.0038     99.6854     27.6466     99.6854     
1 1 1 7  3  52 o 42.264  3.51875 4.60908      0.754645  2.82702      0.719119  36.3369     138.425     4.46536     138.425     
1 1 1 7  3  53 o 26.9569 4.63219 1.52952      0.63582   1.84303      0.648737  23.3477     359.924     6.04448     359.924     
1 1 1 7  3  54 o 15.1244 4.24597 -0.145682    0.537124  0.769766     0.547148  7.38328     24.1994     1.71299     204.199     
1 1 1 7  3  55 o 12.7805 4.07444 -0.0408771   0.587097  0.0259275    0.554896  2.88596     253.028     4.51354     73.028      
1 1 1 7  3  56 o 15.4082 4.58316 0.44449      0.636872  0.433374     0.606837  6.46        29.0422     4.01056     209.042     
1 1 1 7  3  57 o 11.8372 3.7869  -1.12114     0.516439  0.49658      0.579363  1.60144     18.6355     2.10581     198.635     
1 1 1 7  3  58 o 13.1365 4.15003 0.149043     0.571555  0.138206     0.582885  2.36922     110.585     3.31999     290.585     
1 1 1 7  3  59 o 14.7441 4.56127 0.426316     0.668067  0.345414     0.657805  3.82218     61.805      6.50671     241.805     
1 1 1 7  3  60 o 28.256  5.2611  2.63699      0.81322   2.06486      0.755145  24.2078     89.349      9.61084     89.349      
1 1 1 7  3  61 o 13.7096 4.39345 0.616479     0.703629  -0.289461    0.685882  4.22193     291.777     2.85383     111.777     
1 1 1 7  4  0  o 133.579 2.00133 32.75        1.38435   32.75        1.38435   113.398     90          33.5785     270         
1 1 1 7  4  1  o 347.137 2.35517 221.042      4.23793   220.828      4.23794   377.863     300.335     82.1845     300.335     
1 1 1 7  4  2  o 252.172 2.2222  118.516      3.0031    114.666      2.80572   211.374     2.75164     61.4772     182.752     
1 1 1 7  4  3  f 355.172 2.55806 232.627      5.0312    229.963      4.36821   291.341     58.6973     0           0           
1 1 1 7  4  4  o 119.958 2.15299 27.2184      1.43242   25.5742      1.24193   31.4896     58.0074     151.101     238.007     
1 1 1 7  4  5  o 159.487 2.09651 46.752       1.78615   46.5074      1.6789    91.7162     75.0374     111.476     255.037     
1 1 1 7  4  6  o 446.528 2.72114 372.464      6.0923    358.771      6.48915   401.433     305.882     70.6164     125.882     
1 1 1 7  4  7  o 159.125 2.19632 46.849       1.68558   45.9902      1.92721   73.0648     141.7       149.464     321.7       
1 1 1 7  4  8  o 368.041 2.50783 254.716      4.63225   242.047      4.92234   405.159     308.411     97.7352     308.411     
1 1 1 7  4  9  o 207.431 2.17114 77.4561      2.25891   80.3147      2.40979   195.199     356.439     3.06295     356.439     
1 1 1 7  4  10 o 167.916 2.06528 51.2901      1.79794   52.0877      1.79724   141.577     200.807     21.9446     20.8073     
1 1 1 7  4  11 o 478.174 2.91779 423.875      7.23681   414.712      7.22707   478.486     292.957     26.5192     292.957     
1 1 1 7  4  12 f 164.893 2.39669 51.3314      2.05199   48.3904      2.04399   168.284     310.401     0           0           
1 1 1 7  4  13 o 222.168 2.48149 91.23        2.85625   89.7707      2.85911   196.821     201.741     23.1893     21.7409     
1 1 1 7  4  14 o 258.964 2.47319 123.08       3.19289   122.844      3.44202   275.431     153.506     63.4579     153.506     
1 1 1 7  4  15 o 214.212 2.30722 84.6715      2.56448   83.596       2.55929   201.808     286.589     6.09038     286.589     
1 1 1 7  4  16 o 436.079 2.63393 349.23       5.95535   348.234      5.95239   462.463     157.059     86.1602     157.059     
1 1 1 7  4  17 o 398.113 2.54092 292.892      5.24729   288.44       5.23971   400.398     203.299     37.7845     203.299     
1 1 1 7  4  18 o 113.15  2.15153 21.8127      1.24983   25.2368      1.26791   81.98       90.932      9.05077     270.932     
1 1 1 7  4  19 o 301.307 2.32701 171.209      3.64343   161.869      3.62381   311.465     194.538     54.3897     194.538     
1 1 1 7  4  20 o 37.2047 3.13369 2.8673       0.589593  2.30198      0.58857   23.7681     44.1482     61.1431     44.1482     
1 1 1 7  4  21 o 141.521 2.38863 36.7281      1.68898   36.7602      1.81339   112.647     159.106     21.2201     339.106     
1 1 1 7  4  22 o 39.7815 3.49899 2.73418      0.707402  3.17967      0.699886  39.9978     187.521     115.534     187.521     
1 1 1 7  4  23 o 213.328 2.78212 85.43        3.08846   81.7225      3.06388   205.616     251.72      14.9698     251.72      
1 1 1 7  4  24 o 82.1752 2.24223 12.269       0.953534  12.5553      0.952991  39.8291     143.895     59.2366     323.895     
1 1 1 7  4  25 o 125.033 2.17664 28.5118      1.40897   28.8758      1.41246   138.4       43.4745     52.238      43.4745     
1 1 1 7  4  26 o 196.686 2.20889 72.4261      2.25566   69.6242      2.24792   213.672     226.851     61.6682     226.851     
1 1 1 7  4  27 o 127.013 2.18824 28.3766      1.43188   30.9076      1.44693   149.322     204.439     72.3969     204.439     
1 1 1 7  4  28 o 110.226 2.37401 21.4538      1.34909   23.2426      1.35935   88.7474     191.349     20.5478     11.3493     
1 1 1 7  4  29 o 190.587 2.3907  65.6214      2.35323   67.8577      2.3702    185.254     115.325     19.2442     115.325     
1 1 1 7  4  30 o 120.634 2.23679 26.8835      1.39928   26.6149      1.39571   112.882     92.8853     8.99729     92.8853     
1 1 1 7  4  31 o 83.9221 2.3237  12.8745      1.01152   13.0462      1.0062    59.0206     165.611     29.1525     345.611     
1 1 1 7  4  32 o 79.4013 2.38282 11.0665      0.973499  12.1641      0.982206  66.3215     107.559     4.83169     287.559     
1 1 1 7  4  33 o 46.2399 2.83586 4.44215      0.678187  3.51705      0.661895  19.8512     131.297     31.1448     311.297     
1 1 1 7  4  34 o 93.9533 2.34097 16.3791      1.14354   16.1312      1.13308   57.9431     170.864     50.2811     350.864     
1 1 1 7  4  35 o 246.428 2.34994 112.219      3.00331   111.317      3.0002    244.712     141.107     42.6394     141.107     
1 1 1 7  4  36 o 31.9616 3.55579 2.34018      0.566333  1.57263      0.558672  14.1686     8.20126     76.8779     8.20126     
1 1 1 7  4  37 f 114.596 2.41718 25.3228      1.48742   23.1925      1.38169   99.4425     167.172     0           0           
1 1 1 7  4  38 o 97.9121 2.71759 17.0054      1.37356   18.5622      1.37775   95.6367     48.973      18.3778     48.973      
1 1 1 7  4  39 o 24.9347 4.47862 1.30421      0.582096  1.13908      0.579006  9.27801     58.9533     5.55228     238.953     
1 1 1 7  4  40 o 71.8693 2.49562 9.8538       0.93052   9.35579      0.92293   86.576      334.435     52.0211     334.435     
1 1 1 7  4  41 o 47.7225 2.81808 4.42418      0.689829  4.13496      0.690952  38.1089     212.597     3.23896     32.5966     
1 1 1 7  4  42 o 65.0975 2.57164 7.9897       0.862767  7.87668      0.865813  65.2377     318.478     19.4003     318.478     
1 1 1 7  4  43 o 59.4865 2.83933 6.81895      0.872349  6.55164      0.868219  31.8434     145.209     38.7004     325.209     
1 1 1 7  4  44 o 29.9558 4.25011 2.55204      0.685514  1.16876      0.597304  20.7252     2.45711     6.18025     182.457     
1 1 1 7  4  45 o 40.1317 3.85212 3.31883      0.757573  3.02887      0.798636  24.5829     10.1194     18.2        190.119     
1 1 1 7  4  46 o 59.4378 2.956   6.18841      0.886921  7.35332      0.920016  54.3917     289.402     8.23531     289.402     
1 1 1 7  4  47 o 22.1627 4.31754 1.29478      0.523105  0.740536     0.526274  11.2411     11.0502     11.2211     191.05      
1 1 1 7  4  48 o 24.6582 4.6354  1.10916      0.609941  1.48358      0.604344  13.2072     359.839     11.7989     179.839     
1 1 1 7  4  49 o 40.3557 3.95256 2.89826      0.798332  3.77361      0.79531   31.3802     348.146     3.02175     168.146     
1 1 1 7  4  50 o 48.7981 3.16096 5.86059      0.789616  3.65742      0.757864  37.23       307.919     5.80481     127.919     
1 1 1 7  4  51 o 14.7539 4.27227 0.298972     0.544323  0.264952     0.495851  1.33957     79.6153     17.8352     259.615     
1 1 1 7  4  52 o 12.527  3.93041 -0.127935    0.527022  0.0608815    0.49587   3.12309     231.387     6.99238     51.3873     
1 1 1 7  4  53 o 16.1625 4.41379 0.733945     0.540519  0.225164     0.543742  9.47184     168.355     0.236919    348.355     
1 1 1 7  4  54 o 16.8364 4.42485 0.0774083    0.556726  1.00588      0.569334  7.45451     172.985     2.91809     172.985     
1 1 1 7  4  55 o 12.9013 4.07436 0.409062     0.607392  -0.513428    0.550128  2.63148     323.337     7.32733     143.337     
1 1 1 7  4  56 o 12.3142 3.78313 -1.51392     0.57523   0.619201     0.540736  2.33574     49.3235     3.13271     229.323     
1 1 1 7  4  57 o 18.4833 4.91671 0.893716     0.631353  0.943559     0.648575  9.72982     199.605     4.06115     199.605     
1 1 1 7  4  58 o 17.3779 4.72479 1.03503      0.621389  0.531408     0.602288  7.7307      130.909     5.06234     310.909     
1 1 1 7  4  59 o 13.8781 4.18881 -0.479849    0.552719  0.830157     0.616196  1.7285      125.024     1.2509      305.024     
1 1 1 7  4  60 o 14.9709 4.70271 0.452087     0.747938  0.457137     0.713214  5.14859     272.977     2.76429     92.9772     
1 1 1 7  4  61 o 18.5733 5.04568 0.311715     0.713869  1.76293      0.782417  10.9108     193.161     4.13022     193.161     
1 1 1 7  5  0  o 296.562 2.24016 161.264      3.44282   161.264      3.44282   183.181     270         219.42      90          
1 1 1 7  5  1  o 513.632 2.81097 485.717      7.48613   481.768      7.48197   526.381     175.483     46.6255     175.483     
1 1 1 7  5  2  o 237.796 2.12468 103.962      2.62003   103.363      2.61789   263.051     184.263     78.6652     184.263     
1 1 1 7  5  3  o 383.562 2.45047 266.595      4.86914   272.876      4.87463   361.235     211.641     24.3152     31.6405     
1 1 1 7  5  4  o 326.982 2.31387 194.449      3.92077   197.578      3.92281   342.62      338.419     53.976      338.419     
1 1 1 7  5  5  o 253.373 2.16502 118.22       2.84627   117.159      2.8407    280.32      161.705     81.376      161.705     
1 1 1 7  5  6  o 318.885 2.29759 187.915      3.80227   184.935      3.79332   377.439     42.9977     143.691     42.9977     
1 1 1 7  5  7  o 211.742 2.10235 81.0201      2.30546   83.3693      2.30925   205.085     218.705     14.6182     218.705     
1 1 1 7  5  8  o 256.849 2.1766  118.603      2.89407   123.302      2.90109   251.445     57.3538     14.6457     57.3538     
1 1 1 7  5  9  o 191.476 2.30819 66.5229      2.37072   67.9103      2.20634   142.431     23.8803     72.5207     203.88      
1 1 1 7  5  10 o 456.519 2.95873 382.035      7.25863   382.313      6.7345    458.775     78.1219     30.9615     78.1219     
1 1 1 7  5  11 o 274.143 2.56119 136.18       3.63745   139.424      3.64133   219.133     84.5945     85.9338     264.594     
1 1 1 7  5  12 o 144.427 2.30915 40.5091      1.7926    36.0425      1.66556   105.057     148.251     44.8956     328.251     
1 1 1 7  5  13 o 228.469 2.40039 96.4161      2.73657   94.996       2.94351   198.95      181.564     31.1228     1.56417     
1 1 1 7  5  14 o 382.285 2.89905 271.604      5.26848   264.458      6.17255   436.219     26.883      140.243     26.883      
1 1 1 7  5  15 o 297.292 2.54736 161.995      3.78159   162.15       4.06459   294.834     88.3371     25.3933     88.3371     
1 1 1 7  5  16 o 426.516 2.61224 338.68       5.77853   328.608      5.77131   371.82      318.931     76.3941     138.931     
1 1 1 7  5  17 o 18.2084 3.47536 1.18975      0.424673  -0.136301    0.411888  76.6115     330.19      160.195     330.19      
1 1 1 7  5  18 o 177.213 2.14192 57.9164      1.9685    57.2651      1.96659   202.356     125.083     98.8395     125.083     
1 1 1 7  5  19 o 340.933 2.4145  214.136      4.26901   212.296      4.26503   323.39      211.4       0.0328843   211.374     
1 1 1 7  5  20 o 221.294 2.20277 88.8157      2.52206   90.8425      2.53138   235.273     286.104     65.2179     286.104     
1 1 1 7  5  21 o 148.324 2.47163 37.8586      1.88995   42.9614      1.90594   112.729     330.179     39.4845     150.179     
1 1 1 7  5  22 o 178.656 3.05376 62.0711      2.84989   55.3153      2.79936   81.9893     319.246     168.264     139.246     
1 1 1 7  5  23 o 296.366 2.69881 168.795      4.16176   153.955      4.12528   275.006     18.9695     8.85595     198.969     
1 1 1 7  5  24 o 124.03  2.16676 28.7322      1.39583   27.7555      1.38896   108.898     245.415     6.53466     65.4152     
1 1 1 7  5  25 o 99.2456 2.20972 17.5825      1.13007   18.622       1.14023   92.2413     198.028     9.24519     198.028     
1 1 1 7  5  26 o 157.055 2.17312 44.3888      1.76423   46.1889      1.77374   130.781     324.439     28.7564     144.439     
1 1 1 7  5  27 o 171.459 2.1936  53.9334      1.94771   54.0281      1.95152   177.301     337.04      39.0459     337.04      
1 1 1 7  5  28 o 124.65  2.20199 28.9507      1.42368   28.138       1.42054   122.411     290.115     20.7671     290.115     
1 1 1 7  5  29 f 103.401 2.41123 20.3448      1.29436   18.9996      1.28602   127.126     322.497     0           0           
1 1 1 7  5  30 f 69.1555 2.49698 9.0248       0.863868  8.60337      0.917803  111.172     355.055     0           0           
1 1 1 7  5  31 o 200.958 2.25659 78.4873      2.36321   70.0279      2.33394   227.501     7.27557     87.4268     7.27557     
1 1 1 7  5  32 o 128.337 2.2461  29.5621      1.48916   31.001       1.49758   134.155     169.082     38.1574     169.082     
1 1 1 7  5  33 o 66.55   2.48316 8.60269      0.85898   7.74766      0.846942  66.9        115.852     34.536      115.852     
1 1 1 7  5  34 o 62.0709 2.55638 7.17384      0.81664   7.06026      0.821187  20.9431     261.486     63.5329     81.4859     
1 1 1 7  5  35 f 179.9   2.2809  61.2609      2.13304   57.8992      2.12003   138.058     89.5492     0           0           
1 1 1 7  5  36 o 84.4202 2.38654 13.0007      1.04597   13.3118      1.03829   82.8644     169.227     20.3023     169.227     
1 1 1 7  5  37 o 98.9759 2.69921 18.1457      1.38731   18.1336      1.37714   71.5477     195.279     32.4505     15.2793     
1 1 1 7  5  38 o 148.634 2.64897 40.1689      2.03892   41.6826      2.0407    139.022     253.832     13.0836     253.832     
1 1 1 7  5  39 o 38.2337 3.34782 2.84591      0.644448  2.69666      0.653382  17.1576     263.628     28.382      83.6283     
1 1 1 7  5  40 f 38.1132 3.17409 3.08179      0.615287  2.44243      0.607633  40.8245     259.043     0           0           
1 1 1 7  5  41 o 87.4656 2.42531 14.5893      1.0978    13.9049      1.09666   78.4823     265.905     4.88598     265.905     
1 1 1 7  5  42 o 59.8968 2.61724 6.98324      0.810897  6.48513      0.805652  44.338      215.796     14.022      35.796      
1 1 1 7  5  43 o 26.2903 4.48045 1.45611      0.584248  1.3503       0.623467  13.1895     171.674     14.4075     351.674     
1 1 1 7  5  44 o 55.1288 3.5362  5.637        0.994352  6.12542      1.00353   41.3074     161.543     11.2332     341.543     
1 1 1 7  5  45 o 78.7157 2.7343  11.8581      1.11384   11.6078      1.11061   83.6091     262.342     32.8036     262.342     
1 1 1 7  5  46 o 35.7772 3.69281 2.40958      0.662862  2.6684       0.664929  21.4063     155.934     16.3228     335.934     
1 1 1 7  5  47 o 20.4597 4.40539 1.18616      0.544703  0.524036     0.514454  13.0245     55.5429     5.65451     55.5429     
1 1 1 7  5  48 o 16.4927 3.82317 -0.463414    0.493087  1.0587       0.485557  1.52319     172.331     20.858      352.331     
1 1 1 7  5  49 o 16.7483 4.46447 0.438964     0.543619  0.543817     0.515901  5.10706     308.605     12.5516     128.605     
1 1 1 7  5  50 o 30.3264 4.25994 3.02743      0.670904  1.05889      0.638144  26.3611     64.1997     5.72838     64.1997     
1 1 1 7  5  51 o 22.4511 4.62854 1.15977      0.567646  1.10108      0.576135  16.0253     58.1905     0.831315    238.19      
1 1 1 7  5  52 o 26.4434 4.64569 1.54011      0.626684  1.66322      0.641599  16.5044     261.49      7.95382     81.4902     
1 1 1 7  5  53 o 11.5253 3.75465 -0.0937299   0.507333  -0.348698    0.538163  0.0668264   118.534     14.0912     298.535     
1 1 1 7  5  54 o 19.4023 4.53381 1.34822      0.583178  0.373872     0.577734  12.8579     277.118     0.0520848   97.118      
1 1 1 7  5  55 o 17.4262 4.88717 0.833102     0.681567  0.573371     0.636007  7.4556      338.386     7.94159     158.386     
1 1 1 7  5  56 o 14.5678 4.23318 -0.739723    0.641916  0.887042     0.58911   4.65029     330.191     0.347069    150.191     
1 1 1 7  5  57 o 17.2449 4.60213 -0.00588398  0.592531  1.36107      0.667065  5.35578     254.91      12.5438     74.9099     
1 1 1 7  5  58 o 14.3942 4.41707 0.236105     0.63881   0.447707     0.592473  3.63982     245.688     5.17855     65.6884     
1 1 1 7  5  59 o 16.905  4.85832 0.901922     0.677324  0.625004     0.662042  7.1398      119.429     4.3693      299.429     
1 1 1 7  5  60 o 19.6712 5.11022 1.89399      0.77343   0.500036     0.732683  12.2481     139.718     0.966666    139.718     
1 1 1 7  5  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  6  0  o 19.4706 3.90465 0.842853     0.341303  0.842853     0.341303  13.8707     90.0002     29.1584     90.0002     
1 1 1 7  6  1  o 485.388 2.72793 427.484      6.85981   436.502      6.86695   521.316     159.174     96.0223     159.174     
1 1 1 7  6  2  o 411.653 2.51887 312.376      5.3781    308.999      5.37156   392.337     11.4884     16.1648     191.488     
1 1 1 7  6  3  f 753.735 3.59984 1044.19      14.0696   1039.85      14.0599   583.292     170.09      0           0           
1 1 1 7  6  4  o 281.212 2.20717 147.385      3.22154   142.58       3.21266   255.254     43.3445     28.6873     223.345     
1 1 1 7  6  5  o 381.133 2.44895 266.405      4.84013   266.236      4.83635   365.478     159.638     7.84988     339.638     
1 1 1 7  6  6  o 443.779 2.6165  357.97       6.01728   364.215      6.02023   483.26      179.211     104.993     179.211     
1 1 1 7  6  7  o 535.836 2.98991 526.527      8.03294   526.49       8.56767   579.472     102.987     115.46      102.987     
1 1 1 7  6  8  o 263.227 2.33946 124.684      3.18617   129.4        3.19742   257.728     234.59      15.6693     234.59      
1 1 1 7  6  9  o 215.92  2.25747 86.7832      2.53077   84.1723      2.52223   176.769     157.394     51.9798     337.394     
1 1 1 7  6  10 o 528.979 3.3155  512.379      9.08971   514.068      9.09251   543.164     59.0265     59.3839     59.0266     
1 1 1 7  6  11 o 41.2552 2.80696 2.75182      0.59198   3.57571      0.583306  32.7022     246.193     87.2782     246.193     
1 1 1 7  6  12 o 212.602 2.28392 80.7061      2.51698   85.0641      2.51563   269.179     125.9       161.702     125.9       
1 1 1 7  6  13 o 413.949 2.55853 316.034      5.49246   312.395      5.48731   345.024     208.995     107.7       28.995      
1 1 1 7  6  14 o 122.686 2.25325 27.2465      1.43274   27.9898      1.43054   67.888      311.019     73.9923     131.019     
1 1 1 7  6  15 o 389.159 2.67636 276.594      5.40523   278.919      5.39237   363.817     202.583     17.7965     22.5829     
1 1 1 7  6  16 o 200.385 2.22137 71.6151      2.37411   75.6778      2.23325   236.731     149.695     117.341     149.695     
1 1 1 7  6  17 o 117.53  2.27455 26.6253      1.4808    24.1099      1.28831   65.5454     23.0476     66.8155     203.048     
1 1 1 7  6  18 o 148.334 2.18658 40.2222      1.73084   40.4862      1.62981   85.3859     187.172     95.1567     7.17182     
1 1 1 7  6  19 o 148.466 2.28983 38.8998      1.75463   41.9975      1.76837   115.987     343.315     28.8962     163.315     
1 1 1 7  6  20 o 111.575 2.37085 22.9366      1.32642   22.787       1.41125   12.9142     167.523     225.593     167.523     
1 1 1 7  6  21 o 90.0239 2.43458 15.5815      1.09905   14.2238      1.1632    61.3257     340.458     8.65339     160.458     
1 1 1 7  6  22 o 195.348 2.92209 69.9309      2.80033   70.2626      3.11007   131.938     68.2938     100.423     248.294     
1 1 1 7  6  23 o 141.185 2.6288  37.4342      2.01916   35.8369      1.82381   93.2095     253.459     73.5255     73.4594     
1 1 1 7  6  24 o 176.901 2.17907 58.2461      2.00101   56.6397      1.99511   164.817     65.4609     0.521996    65.4622     
1 1 1 7  6  25 o 194.033 2.19844 68.7422      2.21108   69.4945      2.2112    175.996     164.653     9.25891     344.653     
1 1 1 7  6  26 o 101.221 2.21271 18.4302      1.15786   19.2353      1.16097   74.9578     98.64       31.1122     278.64      
1 1 1 7  6  27 o 91.9449 2.23896 16.0216      1.06758   15.0734      1.06281   82.636      98.5089     5.99709     98.5089     
1 1 1 7  6  28 f 67.0701 2.37568 8.15         0.826603  8.42109      0.819708  62.5626     218.551     0           0           
1 1 1 7  6  29 o 116.263 2.31173 25.3767      1.44549   24.3335      1.33783   77.6795     106.284     54.9053     286.284     
1 1 1 7  6  30 o 139.227 2.39585 37.3383      1.73421   33.968       1.72016   118.677     52.9852     15.5224     232.985     
1 1 1 7  6  31 o 123.443 2.24652 27.9522      1.43682   28.0844      1.43578   143.798     32.9673     68.0309     32.9673     
1 1 1 7  6  32 o 105.26  2.28991 19.8458      1.24904   20.9347      1.2461    125.22      348.499     68.5001     348.499     
1 1 1 7  6  33 o 171.823 2.33654 54.9501      2.15337   53.649       2.00771   154.076     314.404     2.63629     134.404     
1 1 1 7  6  34 o 65.1955 2.65371 6.81927      0.905815  8.96846      0.859534  48.7016     331.457     9.28789     151.457     
1 1 1 7  6  35 o 85.6593 2.46163 13.8037      1.13437   13.2852      1.0467    67.6026     208.187     13.6538     28.1866     
1 1 1 7  6  36 o 67.3066 2.6137  7.87287      0.935195  8.92189      0.873525  77.2715     157.49      46.5579     157.49      
1 1 1 7  6  37 o 69.8581 2.85276 10.2966      1.04178   7.92268      1.00592   55.6649     290.309     10.3966     110.309     
1 1 1 7  6  38 f 49.4599 2.73452 4.59017      0.695399  4.53703      0.695594  29.9251     152.044     0           0           
1 1 1 7  6  39 o 65.6783 2.71748 7.78391      0.919054  8.30537      0.922517  53.817      346.483     5.35328     166.483     
1 1 1 7  6  40 o 67.9221 2.53406 9.08707      0.895976  8.12518      0.880692  51.6003     58.7834     13.9572     238.783     
1 1 1 7  6  41 o 56.5994 2.6796  6.11259      0.790202  5.90746      0.773093  49.9096     208.239     3.86324     208.239     
1 1 1 7  6  42 o 40.6427 3.18512 3.11875      0.69019   3.19792      0.626038  36.9666     293.823     7.56681     293.823     
1 1 1 7  6  43 o 9.92428 3.33555 -0.794934    0.495218  -0.377982    0.452256  2.82619     106.241     10.1917     106.241     
1 1 1 7  6  44 o 22.2937 4.81765 1.00128      0.647728  1.01618      0.57072   10.8727     349.955     6.13003     349.955     
1 1 1 7  6  45 o 62.4445 3.23463 6.99119      1.11337   8.02397      0.937652  62.7851     193.222     19.9417     193.222     
1 1 1 7  6  46 o 43.3824 3.32929 3.47546      0.733748  3.87597      0.737615  34.3994     37.5912     3.27815     217.591     
1 1 1 7  6  47 o 37.5602 3.38234 2.8713       0.647396  2.70047      0.639475  27.4855     332.847     6.53894     152.847     
1 1 1 7  6  48 o 33.4024 3.68293 2.00787      0.612736  2.51258      0.614695  25.3883     141.011     2.78047     321.011     
1 1 1 7  6  49 o 33.2679 3.75315 2.86558      0.622882  1.71557      0.60314   31.3149     52.4479     10.5644     52.4479     
1 1 1 7  6  50 o 23.1618 4.43584 0.506866     0.586455  1.8428       0.617849  14.1828     169.992     6.56794     349.992     
1 1 1 7  6  51 o 15.8189 4.25898 0.804477     0.538114  -0.0511523   0.51207   2.33034     155.499     18.0632     335.5       
1 1 1 7  6  52 o 20.3911 4.70236 0.915006     0.582386  1.00667      0.561484  10.4034     308.373     9.39546     128.373     
1 1 1 7  6  53 o 32.6854 4.17836 2.14855      0.682454  2.63362      0.677238  27.7554     70.1835     4.69322     70.1835     
1 1 1 7  6  54 o 16.4122 4.63331 0.584728     0.606094  0.525136     0.583173  4.50335     90.1735     1.41998     90.1735     
1 1 1 7  6  55 o 14.1993 4.33511 0.434281     0.587245  0.0422459    0.594514  4.79137     311.051     3.25129     131.051     
1 1 1 7  6  56 o 20.3403 4.97391 1.40016      0.679004  0.858958     0.613156  9.4585      146.129     9.93502     326.129     
1 1 1 7  6  57 o 10.3609 3.52814 -0.161343    0.578142  -0.953192    0.551331  1.33942     218.892     11.4281     218.892     
1 1 1 7  6  58 o 15.7571 4.53073 0.922004     0.604869  0.103183     0.63447   5.28723     313.249     3.833       133.249     
1 1 1 7  6  59 o 23.1759 5.31324 1.94533      0.749721  1.37308      0.733403  13.9483     139.656     3.79017     319.656     
1 1 1 7  6  60 o 19.5477 5.11267 1.66695      0.716812  0.684059     0.777696  12.5617     64.7882     3.0958      64.7882     
1 1 1 7  6  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  7  0  o 226.546 2.10395 94.1211      2.46976   94.1211      2.46976   241.134     270         37.5564     270         
1 1 1 7  7  1  o 246.132 2.14043 105.855      2.72039   116.386      2.73752   274.401     100.303     87.204      100.303     
1 1 1 7  7  2  o 136.761 2.02701 34.6789      1.43825   33.8974      1.43559   119.2       21.7547     9.52889     21.7546     
1 1 1 7  7  3  o 372.421 2.42182 254.685      4.6782    253.888      4.67235   403.469     15.5739     88.911      15.5739     
1 1 1 7  7  4  o 247.205 2.15477 112.098      2.76385   111.964      2.75843   245.443     330.482     24.2366     330.482     
1 1 1 7  7  5  o 326.72  2.46234 201.211      4.17626   190.287      4.16204   292.73      352.291     43.0487     172.291     
1 1 1 7  7  6  o 718.559 3.72147 953.194      13.8629   941.165      13.8596   774.385     341.597     147.826     341.597     
1 1 1 7  7  7  o 470.017 2.87279 406.216      6.99392   403.996      7.00444   589.337     13.1414     271.377     13.1414     
1 1 1 7  7  8  o 96.3478 2.31078 17.5207      1.19711   16.5635      1.10778   50.2933     154.26      14.0559     334.26      
1 1 1 7  7  9  o 498.995 2.97353 460.459      7.70365   452.83       7.67874   454.384     270.556     57.9319     90.5564     
1 1 1 7  7  10 o 213.431 2.26557 83.5628      2.51046   83.4726      2.50253   182.392     154.8       32.9647     334.8       
1 1 1 7  7  11 o 84.0631 2.29559 14.4551      1.00488   11.5766      0.984699  11.1181     296.275     100.317     116.275     
1 1 1 7  7  12 o 161.937 2.16611 47.7098      1.75899   48.4513      1.87647   176.105     210.567     81.3155     210.567     
1 1 1 7  7  13 o 242.198 2.18277 106.616      2.73922   108.5        2.74139   308.03      251.295     175.014     251.295     
1 1 1 7  7  14 o 15.7848 3.79608 -0.00588279  0.40912   0.702511     0.411217  83.3469     138.323     172.234     138.323     
1 1 1 7  7  15 o 187.005 2.27072 61.6139      2.19417   66.7001      2.20596   209.618     39.6734     89.0307     39.6734     
1 1 1 7  7  16 o 436.5   2.62918 347.311      5.94459   351.747      5.95305   416.227     311.034     1.58088     131.033     
1 1 1 7  7  17 o 214.947 2.16729 85.0041      2.41526   84.4714      2.41429   196.949     219.991     2.30831     39.9914     
1 1 1 7  7  18 f 54.4233 2.52537 4.93445      0.703835  6.00781      0.708028  116.237     306.885     0           0           
1 1 1 7  7  19 o 120.425 2.25271 28.7098      1.41493   24.6013      1.39138   112.82      287.976     59.5755     287.976     
1 1 1 7  7  20 o 68.0915 2.40398 8.66688      0.849911  8.39394      0.841676  20.5283     113.576     13.9751     293.576     
1 1 1 7  7  21 o 218.425 2.27447 87.5038      2.48803   87.6107      2.65962   169.482     36.8053     69.43       216.805     
1 1 1 7  7  22 o 74.2003 2.88911 10.1861      1.09376   10.1047      1.11982   21.2765     14.5455     84.0964     194.546     
1 1 1 7  7  23 o 50.5533 3.0144  4.76708      0.814453  4.69388      0.74968   13.0699     177.191     51.2065     357.191     
1 1 1 7  7  24 o 43.5161 2.87716 3.98366      0.699582  3.06781      0.584952  11.8084     230.403     25.163      50.4026     
1 1 1 7  7  25 o 69.5386 2.4801  9.5927       0.951411  8.24393      0.831987  61.0694     19.8939     29.8355     19.8939     
1 1 1 7  7  26 o 144.025 2.25867 37.731       1.63635   38.4624      1.73552   100.511     133.787     63.3417     313.787     
1 1 1 7  7  27 o 144.744 2.26284 38.2953      1.64404   38.6678      1.75036   107.01      273.275     50.7206     93.275      
1 1 1 7  7  28 o 34.162  3.32209 1.99522      0.577227  2.39232      0.562023  1.85352     195.622     20.9706     15.6225     
1 1 1 7  7  29 o 148.211 2.28095 41.8245      1.70769   38.9131      1.79131   144.57      253.957     20.0766     253.957     
1 1 1 7  7  30 o 98.9506 2.4533  18.3434      1.25327   17.7004      1.25911   75.5183     337.473     25.2327     157.473     
1 1 1 7  7  31 o 269.493 2.527   134.486      3.52428   132.668      3.53566   285.064     91.6928     76.6368     91.6928     
1 1 1 7  7  32 o 79.0437 2.36729 10.7755      0.961355  12.2698      0.97164   89.0397     296.621     52.9351     296.621     
1 1 1 7  7  33 o 34.0491 3.30359 2.34718      0.570472  2.01991      0.56262   1.1307      357.113     40.3001     177.113     
1 1 1 7  7  34 o 85.2832 2.37564 13.4978      1.05134   13.3299      1.04497   55.2321     106.366     38.2106     286.366     
1 1 1 7  7  35 f 44.3848 2.81954 3.54965      0.640165  3.78873      0.642918  44.9522     353.673     0           0           
1 1 1 7  7  36 o 37.7274 3.40661 2.02123      0.623493  3.44747      0.640994  13.1291     47.9656     34.8978     227.966     
1 1 1 7  7  37 o 53.0172 2.91166 6.50289      0.80148   4.12445      0.761179  52.8886     197.595     18.3781     197.595     
1 1 1 7  7  38 o 37.0857 3.16729 2.15541      0.58437   3.08655      0.591412  29.3047     253.939     17.5229     253.939     
1 1 1 7  7  39 o 133.303 2.48641 32.8106      1.71222   33.206       1.72095   133.636     139.538     32.7696     139.538     
1 1 1 7  7  40 o 60.7473 2.62186 7.00034      0.812444  6.80324      0.830354  47.8495     158.293     8.17299     338.293     
1 1 1 7  7  41 f 87.3129 2.42985 13.709       1.08933   14.7686      1.1052    74.2815     33.1458     0           0           
1 1 1 7  7  42 o 51.1886 2.79634 4.60099      0.726764  5.32672      0.743549  48.7672     310.742     11.4989     310.742     
1 1 1 7  7  43 o 25.7032 4.36444 0.7734       0.608725  1.9389       0.594991  17.6713     135.776     3.65428     315.776     
1 1 1 7  7  44 o 52.7484 2.93585 5.17102      0.76148   5.4462       0.830837  39.6395     18.4803     10.1476     198.48      
1 1 1 7  7  45 o 13.6464 4.11828 -0.247777    0.524567  0.272307     0.533599  2.04355     54.7719     2.24829     234.772     
1 1 1 7  7  46 o 15.9945 4.366   0.415343     0.522603  0.372452     0.503347  5.55762     306.543     0.679466    126.543     
1 1 1 7  7  47 o 55.2424 2.82982 6.1631       0.809714  5.59941      0.798874  48.1635     11.9333     4.36622     11.9333     
1 1 1 7  7  48 o 16.9661 4.32292 0.190669     0.509165  0.8097       0.514509  7.20597     28.7201     0.838367    28.7201     
1 1 1 7  7  49 o 50.8432 3.17928 4.18306      0.823449  6.11334      0.799555  38.7093     53.7533     6.20119     233.753     
1 1 1 7  7  50 o 24.0392 4.48462 2.00814      0.67463   0.634131     0.535374  13.0302     36.5596     10.8815     216.56      
1 1 1 7  7  51 o 27.5884 4.53665 1.19107      0.655817  2.28471      0.650873  24.5892     151.463     7.6027      151.463     
1 1 1 7  7  52 o 26.3353 4.52654 1.68971      0.616158  1.5185       0.608361  15.3538     3.78651     10.1207     183.787     
1 1 1 7  7  53 o 33.023  4.13441 2.03326      0.675768  2.88138      0.676332  25.0918     42.2223     1.26254     222.222     
1 1 1 7  7  54 o 16.1476 4.6667  0.330648     0.635262  0.676081     0.619204  7.38137     35.2379     2.90419     215.238     
1 1 1 7  7  55 o 12.1032 3.88214 -0.130459    0.548585  0.0450027    0.511142  2.14009     262.266     5.51014     82.2664     
1 1 1 7  7  56 o 17.6428 4.58129 0.279131     0.589734  1.20724      0.601005  10.0084     153.252     1.17852     333.252     
1 1 1 7  7  57 o 12.8315 4.10747 0.221419     0.600115  -0.100569    0.578816  0.937027    234.122     1.31432     54.1217     
1 1 1 7  7  58 o 14.103  4.30136 0.449104     0.580806  0.213527     0.568489  3.11567     176.982     6.99809     356.982     
1 1 1 7  7  59 o 16.2472 4.76287 0.28978      0.676428  1.0312       0.686153  6.98281     84.1833     1.51193     264.183     
1 1 1 7  7  60 o 18.6494 4.89515 0.695228     0.647939  1.37856      0.659642  11.5301     148.493     1.30521     148.493     
1 1 1 7  8  0  o 272.673 2.19337 136.337      3.09927   136.337      3.09927   244.584     270         44.0331     90          
1 1 1 7  8  1  o 652.426 3.24835 782.932      10.9828   778.439      10.9884   648.69      198.809     27.9992     198.809     
1 1 1 7  8  2  o 105.583 2.1812  20.4305      1.1923    20.4786      1.19267   56.3125     269.097     52.5457     89.0971     
1 1 1 7  8  3  o 329.909 2.47092 201.549      4.22818   197.574      4.22265   345.491     140.061     60.0875     140.062     
1 1 1 7  8  4  o 235.207 2.274   103.794      2.77515   99.0871      2.76888   288.618     148.291     146.113     148.291     
1 1 1 7  8  5  o 189.992 2.22821 66.2469      2.19787   66.1108      2.19099   202.79      182.835     64.0581     182.835     
1 1 1 7  8  6  o 77.9098 2.42017 11.5521      0.979317  10.7565      0.970055  15.767      164.074     51.4979     344.074     
1 1 1 7  8  7  o 181.563 2.30335 60.7925      2.24238   60.0877      2.09139   152.645     5.44833     26.0831     185.448     
1 1 1 7  8  8  o 103.992 2.22249 18.4469      1.19114   21.2954      1.19799   13.791      327.85      149.103     147.85      
1 1 1 7  8  9  o 258.902 2.32793 123.877      3.12882   121.933      3.11947   233.8       329.316     20.6372     149.316     
1 1 1 7  8  10 o 120.49  2.20751 27.3574      1.38523   25.9251      1.36957   98.6805     306.014     21.3935     306.014     
1 1 1 7  8  11 f 115.845 2.16154 24.5427      1.25658   24.7036      1.33614   159.046     237.751     0           0           
1 1 1 7  8  12 o 133.651 2.07934 31.9794      1.43844   33.5337      1.44214   121.193     94.4751     68.4994     94.4751     
1 1 1 7  8  13 o 114.528 2.09009 22.9078      1.2346    25.2399      1.24407   54.7971     322.193     83.4304     142.193     
1 1 1 7  8  14 o 186.265 2.26207 63.7937      2.18618   63.4633      2.18197   183.189     277.461     31.143      277.461     
1 1 1 7  8  15 o 84.1486 2.25635 13.2716      0.952412  12.7427      1.01005   29.8461     92.1897     15.2776     272.19      
1 1 1 7  8  16 o 13.165  3.54831 -0.0193745   0.357293  0.372814     0.347062  20.5952     349.092     42.1969     349.092     
1 1 1 7  8  17 f 116.595 2.25525 25.0415      1.36554   24.8724      1.35795   129.56      86.6044     0           0           
1 1 1 7  8  18 o 188.356 2.27721 65.1435      2.22774   65.042       2.21903   193.321     239.37      44.8727     239.37      
1 1 1 7  8  19 o 111.34  2.26698 23.2381      1.31126   22.2995      1.30251   73.635      353.821     45.146      173.821     
1 1 1 7  8  20 o 162.15  2.13998 47.6097      1.79838   48.8871      1.79878   142.254     48.0536     12.3625     228.054     
1 1 1 7  8  21 o 33.4403 3.38889 2.5383       0.542857  1.69956      0.572248  26.1718     244.35      90.2975     244.35      
1 1 1 7  8  22 f 66.7818 2.64236 8.734        0.911947  7.71654      0.907665  93.9662     190.925     0           0           
1 1 1 7  8  23 o 61.3819 2.54182 6.71361      0.795938  7.1792       0.814305  45.7309     62.8147     10.4877     62.8147     
1 1 1 7  8  24 o 141.371 2.33347 34.5873      1.69846   38.8835      1.71822   96.0589     72.4735     67.8692     252.474     
1 1 1 7  8  25 o 116.546 2.28355 25.4654      1.42938   24.4711      1.32678   85.7917     77.6469     39.1156     257.647     
1 1 1 7  8  26 o 74.5434 2.29403 10.2866      0.883007  10.1654      0.885546  25.8173     145.144     78.2635     325.144     
1 1 1 7  8  27 o 139.794 2.19835 35.145       1.58998   36.6478      1.59562   125.713     227.258     2.27661     47.2574     
1 1 1 7  8  28 o 138.034 2.20889 34.3497      1.57641   35.6528      1.58429   105.918     267.487     39.105      87.4872     
1 1 1 7  8  29 o 194.699 2.31367 69.3001      2.40453   70.0158      2.26259   207.842     305.666     60.1234     305.666     
1 1 1 7  8  30 o 21.9603 4.0944  0.764049     0.487157  1.07867      0.466949  13.4551     240.352     44.2068     240.352     
1 1 1 7  8  31 f 27.6237 4.15797 1.57669      0.591328  1.3583       0.563435  33.848      183.834     0           0           
1 1 1 7  8  32 o 77.2179 2.63725 10.781       1.00403   11.2322      1.10032   84.7157     279.207     48.4085     279.207     
1 1 1 7  8  33 o 207.096 2.3649  77.8266      2.45789   80.0982      2.61891   189.971     226.465     6.40378     226.465     
1 1 1 7  8  34 o 216.661 2.39463 87.8661      2.60751   85.1556      2.76583   221.867     236.028     54.0023     236.028     
1 1 1 7  8  35 o 84.9729 2.57674 12.4281      1.08312   14.3245      1.18212   52.7514     294.579     44.1617     114.579     
1 1 1 7  8  36 o 64.6467 2.9707  8.04394      0.958441  7.5325       1.01773   54.9285     223.441     1.55637     43.4412     
1 1 1 7  8  37 o 114.197 2.49558 24.0409      1.47791   24.3011      1.473     105.195     237.579     8.86412     237.579     
1 1 1 7  8  38 o 23.9884 3.8242  1.871        0.5094    0.429625     0.492675  12.1707     187.995     61.8076     187.995     
1 1 1 7  8  39 o 45.5475 3.0582  3.25085      0.692399  4.64238      0.718865  29.816      245.892     16.3499     65.8922     
1 1 1 7  8  40 o 42.4239 3.0103  2.81484      0.632855  4.06471      0.657678  31.4805     285.676     7.17762     105.676     
1 1 1 7  8  41 o 32.6814 3.35239 2.17655      0.55966   1.95641      0.542556  20.123      27.2917     12.6013     207.292     
1 1 1 7  8  42 o 25.3345 4.26095 0.886741     0.538679  1.74875      0.587623  17.8712     45.4941     1.4708      225.494     
1 1 1 7  8  43 o 27.3515 4.14787 1.72839      0.575852  1.30341      0.566872  22.9657     311.687     4.12724     311.687     
1 1 1 7  8  44 o 29.6817 3.75369 1.57025      0.551375  1.94839      0.559029  26.6435     10.6948     6.92192     10.6948     
1 1 1 7  8  45 o 91.4928 2.93555 16.7094      1.3915    15.3516      1.38393   86.2005     192.031     16.9961     192.031     
1 1 1 7  8  46 o 40.8779 3.62473 3.19254      0.77951   3.45763      0.715663  29.6358     216.322     8.02524     36.3217     
1 1 1 7  8  47 o 73.1222 2.65035 9.52045      0.993305  10.9949      1.00571   69.6001     236.032     17.0242     236.032     
1 1 1 7  8  48 o 43.8964 3.18002 4.54426      0.711969  3.11816      0.693304  40.6654     132.742     10.0604     132.742     
1 1 1 7  8  49 o 17.7271 4.46493 0.775813     0.525318  0.472165     0.520828  7.89211     195.992     8.82643     15.9922     
1 1 1 7  8  50 o 18.9415 4.56478 0.473967     0.548407  1.04514      0.562932  6.45454     1.38138     15.1393     181.381     
1 1 1 7  8  51 o 17.0178 4.51967 0.85598      0.556871  0.227758     0.579475  10.1322     170.944     1.37941     350.944     
1 1 1 7  8  52 o 25.1444 4.51114 1.14772      0.596555  1.82519      0.603136  12.3498     64.3592     14.0361     244.359     
1 1 1 7  8  53 o 22.9417 5.0003  1.72757      0.723781  0.979054     0.601701  17.9573     84.763      4.4458      84.763      
1 1 1 7  8  54 o 10.5445 3.57666 -0.375871    0.576609  -0.661475    0.549747  0.103287    157.817     8.30544     157.817     
1 1 1 7  8  55 o 36.2821 4.01769 2.87175      0.734936  3.20966      0.723006  35.0232     181.936     15.1531     181.936     
1 1 1 7  8  56 o 43.9011 3.65198 4.02636      0.815054  4.69326      0.807209  37.2508     311.661     6.83045     311.661     
1 1 1 7  8  57 o 8.98034 3.1371  -0.912451    0.534498  -0.803229    0.531204  1.42562     359.924     5.95381     359.924     
1 1 1 7  8  58 o 16.4505 4.73303 0.36551      0.664228  0.967828     0.646109  6.27656     63.9252     0.362908    243.925     
1 1 1 7  8  59 o 11.5971 3.81413 -0.279159    0.53495   0.0991132    0.576824  0.981705    272.577     7.9948      92.5773     
1 1 1 7  8  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  9  0  o 317.604 2.62064 184.993      4.31311   184.993      4.31311   357.308     90          96.2756     90          
1 1 1 7  9  1  o 470.606 3.0768  407.521      7.50488   404.871      7.50631   395.118     91.515      118.32      271.515     
1 1 1 7  9  2  o 117.399 2.34202 25.9021      1.42512   24.6855      1.42194   81.3803     208.536     35.4985     208.536     
1 1 1 7  9  3  o 164.158 2.33827 49.7991      1.99239   49.0204      1.98694   160.111     8.92951     33.3134     8.92951     
1 1 1 7  9  4  o 537.232 3.30995 530.987      9.21635   527.884      9.21861   563.582     64.4218     90.5414     64.4218     
1 1 1 7  9  5  o 135.646 2.27309 33.0737      1.65012   34.4053      1.54202   32.8787     3.52738     179.043     183.527     
1 1 1 7  9  6  o 327.027 2.47294 200.79       4.20342   191.477      4.17947   401.792     52.6804     186.365     52.6804     
1 1 1 7  9  7  o 173.145 2.19532 55.6725      1.97582   54.2664      1.96472   118.064     60.5686     80.2053     240.569     
1 1 1 7  9  8  o 351.729 2.53303 228.429      4.62579   225.318      4.6107    235.882     308.859     201.525     128.859     
1 1 1 7  9  9  o 349.128 2.53654 224.765      4.59811   222.315      4.58279   457.773     176.453     258.27      176.453     
1 1 1 7  9  10 o 200.67  2.1715  73.8747      2.1872    73.8043      2.32809   229.397     343.833     100.193     343.833     
1 1 1 7  9  11 o 225.782 2.13652 94.0921      2.50223   92.8679      2.49872   186.587     271.781     47.1994     91.7806     
1 1 1 7  9  12 o 55.0233 2.29369 5.55851      0.655375  5.58518      0.647177  23.348      16.8724     98.4802     16.8724     
1 1 1 7  9  13 o 299.129 2.36735 161.93       3.78638   166.333      3.54745   278.527     12.674      6.47584     192.674     
1 1 1 7  9  14 o 226.398 2.3138  95.0992      2.71856   92.9463      2.71198   275.468     125.592     142.536     125.592     
1 1 1 7  9  15 o 171.546 2.17736 52.6623      1.8703    55.3133      2.00214   103.839     349.075     105.588     169.075     
1 1 1 7  9  16 o 44.5165 2.61702 3.5756       0.598244  3.74949      0.598338  22.8256     29.7123     78.2922     29.7123     
1 1 1 7  9  17 o 292.685 2.44295 153.732      3.70273   160.734      3.70871   324.292     359.252     100.541     359.252     
1 1 1 7  9  18 o 138.13  2.1272  33.7939      1.51371   36.2438      1.53166   122.764     197.509     0.644197    17.5096     
1 1 1 7  9  19 o 87.8866 2.1895  12.7916      0.984386  15.6662      1.00127   59.5436     301.022     28.3314     121.022     
1 1 1 7  9  20 o 84.3219 2.21384 12.1488      0.956363  14.0212      0.9729    69.6389     264.602     3.64051     84.6017     
1 1 1 7  9  21 o 148.891 2.47954 41.6867      1.91736   39.7458      1.90936   127.066     275.085     20.3722     95.0851     
1 1 1 7  9  22 o 150.667 2.63119 40.1622      2.13792   43.3108      1.95667   139.365     322.62      2.0858      322.62      
1 1 1 7  9  23 o 134.531 2.16228 33.5264      1.50947   32.9329      1.5062    97.4905     98.6959     51.1815     278.696     
1 1 1 7  9  24 o 134.311 2.33376 32.6855      1.61887   33.5874      1.63064   126.476     152.377     9.73312     152.377     
1 1 1 7  9  25 o 163.65  2.34929 47.8777      1.9857    50.5364      1.99933   151.479     41.4783     3.64527     41.4783     
1 1 1 7  9  26 o 157.89  2.18576 45.692       1.78736   45.8777      1.79045   130.583     142.326     27.364      322.326     
1 1 1 7  9  27 o 171.529 2.20392 53.9507      1.95713   54.1365      1.96205   178.466     29.6772     44.4429     29.6772     
1 1 1 7  9  28 o 37.2186 3.02575 3.2864       0.570986  1.96653      0.547028  8.55194     26.098      74.1078     26.098      
1 1 1 7  9  29 o 163.17  2.22726 50.0004      1.88662   47.8623      1.8805    170.267     10.4456     45.1726     10.4456     
1 1 1 7  9  30 o 106.257 2.27339 21.7019      1.25522   19.8683      1.24481   90.34       286.254     7.47506     106.254     
1 1 1 7  9  31 o 103.435 2.37242 20.7922      1.32179   18.6431      1.21955   93.5202     210.608     5.73137     210.608     
1 1 1 7  9  32 o 41.647  3.22233 3.75144      0.673418  2.77044      0.67911   2.12624     153.458     60.0041     333.458     
1 1 1 7  9  33 o 77.9335 2.39784 10.9243      0.9607    11.5028      0.971758  79.6594     213.924     28.4178     213.924     
1 1 1 7  9  34 o 133.968 2.41367 33.0519      1.67472   33.205       1.67482   129.109     287.906     19.9216     287.906     
1 1 1 7  9  35 f 93.4241 2.57026 17.1136      1.29089   15.2408      1.19436   61.2767     183.915     0           0           
1 1 1 7  9  36 o 49.1228 3.05687 4.45887      0.794688  4.58441      0.744266  42.3218     99.1634     3.53077     99.1634     
1 1 1 7  9  37 o 58.5841 2.68099 5.82303      0.815482  7.00442      0.7963    63.3704     150.305     29.813      150.305     
1 1 1 7  9  38 o 72.4429 2.53118 9.6982       0.970657  9.85471      0.923342  67.4305     15.5714     10.3971     15.5714     
1 1 1 7  9  39 o 56.3386 3.03281 4.99327      0.850445  7.07166      0.892366  64.94       211.783     37.4159     211.783     
1 1 1 7  9  40 o 26.3337 3.95522 1.63836      0.516985  1.12745      0.531439  7.50868     134.317     26.4858     314.317     
1 1 1 7  9  41 o 24.5365 4.12449 1.36725      0.525616  1.0627       0.511115  9.80146     110.922     18.3693     290.922     
1 1 1 7  9  42 o 31.0844 3.99613 2.35538      0.617287  1.53458      0.613498  18.2423     72.6336     14.087      252.634     
1 1 1 7  9  43 f 16.8747 3.73227 1.09854      0.479656  -0.332029    0.442752  13.3417     238.903     0           0           
1 1 1 7  9  44 o 32.8648 3.54406 2.27913      0.588231  1.9955       0.579524  11.5009     38.041      31.2853     218.041     
1 1 1 7  9  45 o 18.0712 3.90422 -0.531788    0.487311  1.40918      0.575456  10.2674     37.7064     1.56523     217.706     
1 1 1 7  9  46 o 36.981  4.16712 3.63728      0.773061  2.06931      0.736775  29.4135     170.905     0.941468    350.905     
1 1 1 7  9  47 o 17.3495 4.3424  0.35297      0.497703  0.775446     0.503596  5.65564     106.298     12.7353     286.298     
1 1 1 7  9  48 o 66.0512 2.75524 9.13135      0.9451    7.81324      0.929536  66.1595     148.654     23.4328     148.654     
1 1 1 7  9  49 o 11.2057 3.63839 -0.134789    0.484443  -0.3458      0.482876  0.929315    36.8484     8.4213      216.848     
1 1 1 7  9  50 o 22.5829 3.9247  2.08044      0.576963  0.122631     0.537989  18.6636     110.986     4.89886     110.986     
1 1 1 7  9  51 o 15.5066 4.28775 0.0256096    0.539041  0.726813     0.526022  7.80351     215.649     1.79956     215.649     
1 1 1 7  9  52 o 11.8128 3.76126 0.236807     0.50842   -0.649634    0.522978  2.14738     207.202     3.2991      27.2023     
1 1 1 7  9  53 o 17.2946 4.75842 1.0144       0.65311   0.275542     0.623834  4.87723     232.124     13.9861     52.1244     
1 1 1 7  9  54 o 18.0183 4.32334 -0.00542901  0.553056  1.39612      0.585849  8.01607     44.0624     3.71359     44.0624     
1 1 1 7  9  55 o 18.1625 4.71008 1.01525      0.58697   0.682116     0.588435  9.16625     11.484      5.56016     191.484     
1 1 1 7  9  56 o 17.2471 4.74751 0.55186      0.642124  0.956531     0.606734  7.91399     159.376     0.0731167   159.376     
1 1 1 7  9  57 o 11.9726 3.9685  -0.148117    0.573605  -0.195356    0.666422  0.681052    330.159     3.51926     150.159     
1 1 1 7  9  58 o 16.0645 4.6144  -0.476764    0.76344   1.25308      0.676739  6.25298     212.4       5.54846     32.4001     
1 1 1 7  9  59 o 10.052  3.43662 -0.241067    0.545665  -0.802562    0.555073  0.136601    155.386     7.20635     155.386     
1 1 1 7  10 0  f 291.894 2.54484 156.269      3.84917   156.269      3.84917   286.285     90          0           0           
1 1 1 7  10 1  o 598.404 3.53512 662.896      10.9655   651.271      10.9649   599.439     79.6843     46.4231     79.6843     
1 1 1 7  10 2  o 399.063 2.75875 291.3        5.91258   292.858      5.49186   394.555     64.6714     26.3982     64.6715     
1 1 1 7  10 3  o 265.15  2.32357 131.331      3.2041    126.524      3.18258   253.822     134.521     9.7447      134.521     
1 1 1 7  10 4  o 25.4181 3.29955 0.890738     0.414443  1.59613      0.413328  57.0955     335.704     124.994     335.704     
1 1 1 7  10 5  o 238.855 2.28133 104.491      2.82879   104.743      2.82036   307.791     102.002     184.615     102.002     
1 1 1 7  10 6  o 30.1635 2.93146 1.49894      0.445818  1.91491      0.439587  38.8285     120.72      89.1041     120.72      
1 1 1 7  10 7  o 292.355 2.39965 156.831      3.6413    156.672      3.63181   317.363     240.493     86.0564     240.493     
1 1 1 7  10 8  o 227.825 2.21365 95.4741      2.53177   94.8946      2.69364   139.98      183.548     146.862     3.54777     
1 1 1 7  10 9  o 281.531 2.23575 146.515      3.26481   144.205      3.2605    287.423     272.511     47.3184     272.511     
1 1 1 7  10 10 f 399.79  2.50159 292.558      5.18301   293.83       5.1853    221.368     190.923     0           0           
1 1 1 7  10 11 o 144.612 2.07224 38.6922      1.55655   38.0149      1.55017   143.527     232.586     49.6658     232.586     
1 1 1 7  10 12 o 150.923 2.07902 41.9472      1.62823   41.6049      1.62471   155.162     217.614     59.5286     217.614     
1 1 1 7  10 13 o 193.208 2.1983  68.1921      2.27218   68.7597      2.12807   205.66      107.205     64.01       107.205     
1 1 1 7  10 14 o 235.28  2.32129 103.893      2.83927   99.2644      2.82206   238.269     266.746     40.9906     266.746     
1 1 1 7  10 15 o 114.059 2.23889 23.294       1.3218    24.4892      1.32243   57.3847     9.84395     84.8982     189.844     
1 1 1 7  10 16 o 71.012  2.35968 8.72208      0.863157  9.84516      0.866924  13.0549     103.244     85.2183     283.244     
1 1 1 7  10 17 f 128.901 2.12177 30.9026      1.41953   30.0777      1.41573   136.027     358.512     0           0           
1 1 1 7  10 18 o 31.7962 3.05119 1.32232      0.465717  2.56464      0.471712  11.1496     304.174     43.1111     304.174     
1 1 1 7  10 19 o 275.852 2.28147 138.711      3.26166   140.671      3.26281   332.377     276.359     148.536     276.359     
1 1 1 7  10 20 o 71.1324 2.43539 8.51298      0.891279  10.1506      0.894186  32.8388     144.22      56.5088     324.22      
1 1 1 7  10 21 o 182.676 2.49216 61.6423      2.35959   60.9575      2.36008   204.785     12.2084     73.5411     12.2084     
1 1 1 7  10 22 o 95.2162 2.43997 16.2451      1.24117   17.113       1.15915   46.2791     354.728     77.9574     174.728     
1 1 1 7  10 23 o 55.9569 2.41974 5.78402      0.695218  5.76352      0.701766  14.591      226.901     6.21967     226.901     
1 1 1 7  10 24 o 69.2579 2.32204 8.06752      0.823191  9.62892      0.83529   33.2867     61.5902     51.1438     241.59      
1 1 1 7  10 25 o 41.7682 2.93587 3.45403      0.633287  3.03471      0.619726  8.13765     247.547     40.929      67.547      
1 1 1 7  10 26 o 62.376  2.52754 6.92019      0.843132  7.43451      0.779972  40.1292     259.733     26.237      259.733     
1 1 1 7  10 27 o 136.413 2.20243 34.3832      1.55622   33.9893      1.55844   123.758     103.969     1.15026     103.969     
1 1 1 7  10 28 o 32.7488 3.22532 2.18433      0.540107  1.85078      0.523375  3.95618     59.7413     26.7573     239.741     
1 1 1 7  10 29 f 39.6813 2.9318  2.39911      0.577896  3.51893      0.593682  55.7978     190.424     0           0           
1 1 1 7  10 30 o 100.413 2.28706 19.1503      1.19368   17.9854      1.18345   103.107     143.288     32.5469     143.288     
1 1 1 7  10 31 o 49.2934 2.69791 3.98757      0.676987  5.05427      0.683784  29.4166     356.553     13.8458     176.553     
1 1 1 7  10 32 o 30.6435 3.88599 2.57448      0.589996  1.13585      0.574904  5.64078     277.746     9.34651     97.7458     
1 1 1 7  10 33 o 78.4027 2.70336 11.9453      1.06117   10.8341      1.12333   50.4449     13.9369     36.0469     193.937     
1 1 1 7  10 34 o 45.5659 2.90532 4.15121      0.674207  3.61448      0.68011   39.1086     137.797     4.3592      137.797     
1 1 1 7  10 35 o 43.2595 2.85838 3.42707      0.631587  3.57879      0.63531   33.1384     258.872     3.94717     78.8719     
1 1 1 7  10 36 o 32.0162 3.65623 2.51195      0.590378  1.48961      0.56288   15.2766     171.15      18.593      351.15      
1 1 1 7  10 37 o 33.4737 3.25101 2.3976       0.553082  1.8898       0.53976   21.4324     141.87      8.23709     321.87      
1 1 1 7  10 38 o 9.32668 3.08367 -0.351897    0.382906  -0.341962    0.357503  11.2908     133.871     28.3809     133.871     
1 1 1 7  10 39 o 21.9535 4.28607 0.65732      0.502085  1.26451      0.531947  10.7374     124.917     2.33207     304.917     
1 1 1 7  10 40 o 12.1796 3.63518 -0.380601    0.409963  0.286891     0.430717  4.21823     218.695     20.0511     218.695     
1 1 1 7  10 41 o 16.7394 4.18955 0.610459     0.467213  0.373263     0.448932  4.27793     45.107      33.4616     45.107      
1 1 1 7  10 42 o 35.5259 3.65615 2.78701      0.680054  2.18964      0.62493   34.8617     48.7823     12.6006     48.7823     
1 1 1 7  10 43 o 44.5443 3.03419 3.74952      0.706756  3.88764      0.675699  48.5163     158.468     24.1509     158.468     
1 1 1 7  10 44 o 14.6039 4.0025  0.550736     0.472074  -0.0289329   0.436722  3.73108     80.4944     9.46666     260.494     
1 1 1 7  10 45 o 41.8774 3.47738 3.95796      0.758295  3.01263      0.715131  35.0324     249.368     1.54341     249.368     
1 1 1 7  10 46 o 19.8876 4.99785 0.525285     0.65518   1.04161      0.666842  12.2457     228.018     1.37104     48.0183     
1 1 1 7  10 47 o 22.021  4.24636 0.265485     0.576936  1.72299      0.575946  17.5645     139.357     6.78855     139.357     
1 1 1 7  10 48 o 32.8277 3.81114 2.11688      0.620651  2.36437      0.630518  21.205      188.051     9.99116     8.05132     
1 1 1 7  10 49 f 43.3266 3.41276 4.19134      0.743054  3.48545      0.754751  29.3636     75.1151     0           0           
1 1 1 7  10 50 o 22.9865 4.61189 1.28852      0.577306  1.16584      0.573512  11.364      145.942     12.301      325.942     
1 1 1 7  10 51 o 15.8074 4.21413 0.901453     0.535501  -0.101119    0.516344  8.56596     0.486783    0.051403    180.487     
1 1 1 7  10 52 o 15.8326 4.60097 0.701999     0.629005  0.168022     0.610495  6.5653      77.822      0.355921    77.822      
1 1 1 7  10 53 o 15.4039 4.24055 -0.351804    0.569508  0.969803     0.56715   4.82943     114.399     0.549339    114.399     
1 1 1 7  10 54 o 20.1343 5.0215  0.483964     0.607033  1.75137      0.771145  9.00038     125.218     10.4334     305.218     
1 1 1 7  10 55 o 37.1041 4.37973 2.47543      0.800593  4.28882      0.763659  36.196      171.55      17.2844     171.55      
1 1 1 7  10 56 o 11.7813 3.83169 0.120945     0.54742   -0.297347    0.538654  0.199812    114.946     1.2023      294.946     
1 1 1 7  10 57 o 12.4317 4.03016 -0.601727    0.624304  0.366389     0.609075  0.0917921   59.5332     13.1886     59.5332     
1 1 1 7  10 58 o 20.2829 5.27601 1.22337      0.762175  1.44364      0.710697  13.0319     321.168     1.42641     321.168     
1 1 1 7  10 59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  11 0  o 144.789 2.06089 38.4776      1.54534   38.4776      1.54534   148.535     90          22.0443     90          
1 1 1 7  11 1  o 470.47  2.68166 409.963      6.54531   402.129      6.534     445.514     89.694      7.5305      269.694     
1 1 1 7  11 2  o 218.717 2.20192 88.153       2.58618   87.3023      2.40414   243.91      2.16145     90.4496     2.16145     
1 1 1 7  11 3  o 141.851 2.06839 38.0644      1.52057   35.7498      1.52008   53.7836     15.6761     147.259     195.676     
1 1 1 7  11 4  o 69.4523 2.16081 8.63432      0.772472  9.09473      0.779316  0.785387    51.0706     82.9789     51.0706     
1 1 1 7  11 5  o 89.7438 2.09163 14.0269      0.969668  15.5645      0.971804  41.2141     359.241     14.3227     179.241     
1 1 1 7  11 6  o 344.48  2.35299 218.173      4.20102   217.147      4.20218   322.673     175.581     6.14669     355.581     
1 1 1 7  11 7  o 146.409 2.05778 37.2967      1.55461   41.3777      1.56621   141.91      188.422     39.2642     188.422     
1 1 1 7  11 8  o 46.0684 2.36028 4.08547      0.560676  3.74523      0.558188  16.8707     119.762     54.6258     119.762     
1 1 1 7  11 9  o 231.207 2.1406  98.0822      2.56579   98.0154      2.56514   174.331     76.722      81.1587     256.722     
1 1 1 7  11 10 o 28.0962 2.96777 1.14103      0.409569  1.86492      0.409091  44.1971     227.548     101.241     227.548     
1 1 1 7  11 11 o 155.304 2.07859 44.8211      1.6778    43.6666      1.66874   90.8401     195.25      99.7969     15.2503     
1 1 1 7  11 12 o 139.006 2.08897 33.825       1.49797   37.1062      1.51058   97.7342     46.05       51.9906     226.05      
1 1 1 7  11 13 o 217.659 2.3941  85.7886      2.78954   88.107       2.60687   263.225     227.006     129.063     227.006     
1 1 1 7  11 14 o 172.663 2.41422 54.2132      2.16395   55.2286      2.15736   198.837     175.461     87.3956     175.461     
1 1 1 7  11 15 o 103.043 2.25497 18.9717      1.20151   20.0468      1.20387   103.538     324.932     39.2392     324.932     
1 1 1 7  11 16 f 107.552 2.12864 21.183       1.18386   21.3062      1.18725   108.608     283.443     0           0           
1 1 1 7  11 17 o 95.7559 2.15096 16.3828      1.063     17.3154      1.06913   97.7242     3.87918     30.6921     3.87918     
1 1 1 7  11 18 o 194.654 2.15638 67.0742      2.17007   72.0725      2.17977   210.121     258.02      59.9518     258.02      
1 1 1 7  11 19 o 68.2947 2.25026 8.07843      0.788374  9.10146      0.798888  52.4849     193.903     3.56969     13.9027     
1 1 1 7  11 20 f 160.243 2.28252 46.7962      1.88958   47.5139      1.9023    72.6219     126.744     0           0           
1 1 1 7  11 21 o 164.075 2.48142 50.0061      2.11066   48.919       2.11003   150.965     308.254     1.45292     308.254     
1 1 1 7  11 22 o 100.163 2.25046 18.8172      1.20636   18.076       1.12746   58.6256     83.8563     61.5611     263.856     
1 1 1 7  11 23 o 68.2419 2.33176 7.75733      0.812597  9.4336       0.827471  42.0717     196.122     29.8242     16.1217     
1 1 1 7  11 24 o 115.936 2.19328 24.3258      1.31288   25.0865      1.32079   65.1959     60.361      79.0495     240.361     
1 1 1 7  11 25 o 53.1792 2.65762 5.96244      0.695062  4.53847      0.741876  23.9311     103.826     37.6625     283.826     
1 1 1 7  11 26 o 128.277 2.38493 29.7933      1.57883   30.7402      1.58993   108.218     39.5909     14.676      219.591     
1 1 1 7  11 27 o 129.869 2.30208 32.7064      1.62028   29.3623      1.47901   98.3434     11.2365     36.9845     191.236     
1 1 1 7  11 28 o 146.015 2.21563 39.6755      1.67692   38.7099      1.67684   146.446     130.563     31.4628     130.563     
1 1 1 7  11 29 o 84.58   2.32449 12.4691      1.00884   13.9104      1.02396   52.701      73.8406     41.5577     253.841     
1 1 1 7  11 30 o 98.4704 2.29221 17.3049      1.16438   18.4337      1.17179   93.2649     315.403     15.9517     315.403     
1 1 1 7  11 31 o 74.2075 2.39494 10.4152      0.917472  9.92286      0.919676  87.0174     20.3856     60.8058     20.3856     
1 1 1 7  11 32 o 42.121  2.83455 3.23515      0.606767  3.38502      0.616031  31.1007     69.992      0.576667    249.992     
1 1 1 7  11 33 o 130.423 2.62904 31.6893      1.76416   31.2899      1.7867    125.906     102.026     20.3446     102.026     
1 1 1 7  11 34 o 38.1462 3.23655 1.9499       0.570249  3.68135      0.653426  31.6856     13.013      6.26229     13.013      
1 1 1 7  11 35 o 71.8304 2.60665 9.09935      0.965346  10.1093      0.96723   57.4514     271.587     9.17961     91.5866     
1 1 1 7  11 36 o 47.7326 2.96554 4.86463      0.733051  3.74037      0.711458  28.8441     216.009     22.3182     36.009      
1 1 1 7  11 37 f 79.2845 2.43109 12.4203      0.996651  11.0211      0.994169  53.9793     128.765     0           0           
1 1 1 7  11 38 f 31.7335 3.5571  1.80506      0.58294   2.10903      0.541441  20.4379     277.121     0           0           
1 1 1 7  11 39 o 50.6072 3.04137 4.98926      0.808846  4.75469      0.77183   38.9121     270.938     7.6285      90.938      
1 1 1 7  11 40 o 22.264  4.23245 1.16871      0.503803  0.837099     0.502461  11.8681     243.289     8.81903     63.2892     
1 1 1 7  11 41 o 46.5069 3.09958 4.62576      0.733627  3.69228      0.734174  42.6762     321.423     7.63749     321.423     
1 1 1 7  11 42 o 23.7468 4.3667  1.03689      0.536114  1.28726      0.551917  16.65       331.535     2.1531      151.535     
1 1 1 7  11 43 o 25.8441 3.94959 1.10744      0.516935  1.63138      0.513965  20.6101     359.745     2.18262     359.745     
1 1 1 7  11 44 o 32.6593 3.57464 2.42668      0.588401  1.85264      0.575781  32.254      158.013     13.819      158.013     
1 1 1 7  11 45 o 32.9477 3.87904 1.97033      0.624737  2.47087      0.650767  26.1749     230.938     0.0396759   230.939     
1 1 1 7  11 46 o 60.6371 3.2079  8.05581      0.941156  6.44128      1.03309   57.5265     322.302     15.1788     322.302     
1 1 1 7  11 47 o 16.2084 4.46448 0.143226     0.553489  0.670916     0.56122   7.9321      36.9763     2.36756     216.976     
1 1 1 7  11 48 o 14.9237 4.23286 0.375586     0.495927  0.288988     0.502834  6.71663     230.377     2.30927     50.3766     
1 1 1 7  11 49 o 26.0007 4.52836 1.67224      0.627978  1.40726      0.585861  21.6908     191.18      4.48387     191.18      
1 1 1 7  11 50 f 19.7401 4.66532 1.09794      0.579408  0.722879     0.5553    8.00334     287.593     0           0           
1 1 1 7  11 51 o 13.0852 4.12764 0.193158     0.533448  -0.222502    0.631584  3.59591     241.207     5.02481     61.2075     
1 1 1 7  11 52 o 9.98299 3.45558 -1.5728      0.689377  -0.48378     0.562369  2.69384     20.0507     15.2536     20.0506     
1 1 1 7  11 53 o 9.51576 3.28885 -0.877282    0.523106  -0.58707     0.548257  0.0517031   15.7118     1.43502     15.7118     
1 1 1 7  11 54 o 11.9916 3.86042 0.117619     0.543373  -0.189832    0.51572   0.758803    200.754     1.07688     20.754      
1 1 1 7  11 55 o 19.3222 4.42701 0.0935208    0.591813  1.72552      0.629113  9.0929      140.498     7.12886     320.498     
1 1 1 7  11 56 o 11.1881 3.68277 -0.787862    0.548147  0.184692     0.540741  1.44296     243.468     13.0956     243.468     
1 1 1 7  11 57 f 15.6539 4.36699 -1.04303     0.633434  1.47416      0.698181  8.98241     92.4165     0           0           
1 1 1 7  11 58 o 15.2739 4.49142 0.277433     0.59817   0.807903     0.604716  6.37685     205.013     3.95748     25.0126     
1 1 1 7  12 0  o 244.186 2.15184 109.372      2.72277   109.372      2.72277   137.638     90          192.457     270         
1 1 1 7  12 1  o 316.462 2.28834 179.171      3.74564   188.303      3.7606    366.598     340.247     142.365     340.247     
1 1 1 7  12 2  o 121.316 2.06039 26.6629      1.29305   27.3246      1.29822   71.5155     241.485     62.4505     61.4848     
1 1 1 7  12 3  o 138.753 2.05695 36.3503      1.4814    34.2858      1.47667   139.751     345.309     60.9799     345.309     
1 1 1 7  12 4  f 208.142 2.18597 78.7257      2.26891   80.213       2.44624   136.37      211.896     0           0           
1 1 1 7  12 5  o 124.726 2.24108 28.9386      1.44723   28.1761      1.44807   69.0554     237.141     78.2858     57.1413     
1 1 1 7  12 6  o 71.1078 2.31996 9.2277       0.849625  9.36497      0.856011  2.88603     162.127     93.4719     342.127     
1 1 1 7  12 7  o 61.5663 2.42553 7.72114      0.775817  6.27005      0.761124  0.808977    318.157     64.7794     138.157     
1 1 1 7  12 8  o 193.435 2.25696 66.9581      2.25817   70.3625      2.26704   171.623     187.547     11.1188     7.5471      
1 1 1 7  12 9  o 214.959 2.27263 88.0035      2.54075   81.626       2.52184   172.063     36.2729     54.6624     216.273     
1 1 1 7  12 10 o 260.527 2.29295 124.461      2.97918   124.645      3.20976   293.798     227.528     103.451     227.528     
1 1 1 7  12 11 o 198.059 2.11989 72.2843      2.17467   71.6681      2.1781    251.835     99.3079     146.142     99.3079     
1 1 1 7  12 12 o 214.068 2.26952 81.3515      2.51483   86.8982      2.51998   241.34      175.71      87.5426     175.71      
1 1 1 7  12 13 o 26.0468 3.41086 1.31188      0.450758  1.26279      0.436411  18.3179     214.264     49.8942     214.264     
1 1 1 7  12 14 o 58.3655 2.57717 6.49461      0.78236   6.06919      0.768969  23.5975     298.449     45.6967     118.449     
1 1 1 7  12 15 o 240.453 2.19966 105.796      2.74082   106.461      2.74253   205.004     218.288     39.5731     38.288      
1 1 1 7  12 16 o 35.6493 2.69155 1.8594       0.475453  2.925        0.482619  5.92916     245.028     52.2547     245.028     
1 1 1 7  12 17 o 134.38  2.20459 33.4776      1.58771   32.832       1.4827    93.985      157.97      57.86       337.97      
1 1 1 7  12 18 o 45.0108 2.4944  3.40295      0.571892  4.10272      0.579277  12.6974     165.559     31.9151     345.559     
1 1 1 7  12 19 o 226.776 2.33704 94.9907      2.7479    93.9294      2.74648   207.73      263.88      4.07127     83.8803     
1 1 1 7  12 20 o 254.589 2.59016 119.851      3.41716   118.395      3.41913   225.448     246.847     20.1389     66.8468     
1 1 1 7  12 21 o 223.226 2.55578 91.2425      2.95358   91.9209      2.96107   185.402     284.518     40.5512     104.518     
1 1 1 7  12 22 o 37.5975 2.7964  2.1114       0.519973  3.20276      0.535989  11.3511     123.751     78.1203     123.751     
1 1 1 7  12 23 o 203.089 2.20285 76.3791      2.31776   75.1424      2.32012   207.098     347.126     43.1205     347.126     
1 1 1 7  12 24 o 113.166 2.21075 23.9667      1.29842   23.1263      1.29257   123.593     278.016     47.65       278.016     
1 1 1 7  12 25 o 121.307 2.20915 27.9259      1.39184   26.1834      1.38426   110.935     198.317     5.05886     198.317     
1 1 1 7  12 26 o 55.5155 2.61703 4.86407      0.700918  6.59321      0.794725  39.8228     192.807     6.34665     12.8069     
1 1 1 7  12 27 o 40.0424 3.1778  3.22352      0.652859  2.77269      0.64106   12.829      208.61      28.0157     28.6103     
1 1 1 7  12 28 o 52.8894 2.57206 4.86126      0.69688   5.49941      0.703034  36.1818     212.374     5.55421     32.3745     
1 1 1 7  12 29 o 49.6216 2.71929 3.56574      0.668952  5.69349      0.693358  34.1181     14.6035     4.16949     194.604     
1 1 1 7  12 30 o 120.837 2.26047 27.2054      1.41582   26.6226      1.41336   135.204     38.9536     58.3542     38.9536     
1 1 1 7  12 31 o 72.4931 2.41242 9.00789      0.893715  10.4541      0.911605  89.8951     110.195     62.6143     110.195     
1 1 1 7  12 32 o 44.7968 2.96751 4.73689      0.670211  2.88481      0.657974  37.5013     310.828     2.65297     310.828     
1 1 1 7  12 33 f 54.3235 2.70903 5.50047      0.785628  5.49547      0.729101  63.1167     282.106     0           0           
1 1 1 7  12 34 o 19.2908 4.30218 0.766225     0.471868  0.628925     0.49328   0.625324    35.0177     21.0032     35.0177     
1 1 1 7  12 35 o 50.4482 2.86897 4.04854      0.728855  5.56118      0.745657  40.6581     355.903     2.63412     175.903     
1 1 1 7  12 36 o 20.1285 4.07101 0.88489      0.442648  0.698644     0.454202  4.93252     150.59      5.61904     330.59      
1 1 1 7  12 37 o 74.1734 2.45776 9.58532      0.932129  11.0017      0.950201  76.2881     187.348     25.7426     187.348     
1 1 1 7  12 38 o 99.9691 2.47754 19.2447      1.33136   18.1922      1.23245   87.6412     205.427     2.61916     205.427     
1 1 1 7  12 39 o 24.3849 4.33127 1.08531      0.544586  1.33428      0.551641  16.4109     152.819     2.89373     332.819     
1 1 1 7  12 40 o 31.4954 3.5445  1.75289      0.553548  2.15081      0.561433  24.0099     278.382     2.84908     98.3824     
1 1 1 7  12 41 f 32.8995 3.71775 1.72259      0.595831  2.6089       0.614321  36.1526     3.55339     0           0           
1 1 1 7  12 42 o 42.1032 3.02364 3.65901      0.650442  3.19783      0.648297  29.1998     57.0997     11.3508     237.1       
1 1 1 7  12 43 o 26.1591 3.86131 0.578967     0.503092  2.37344      0.567047  19.9955     319.395     0.149053    319.395     
1 1 1 7  12 44 o 46.9114 2.96834 3.71747      0.700293  4.86838      0.718613  42.7702     118.601     8.76587     118.601     
1 1 1 7  12 45 o 21.5608 4.40814 1.34668      0.548354  0.620589     0.539364  14.3561     314.938     1.75925     134.938     
1 1 1 7  12 46 o 19.2329 4.60644 0.848508     0.546906  0.705471     0.549212  12.6139     230.85      4.06238     230.85      
1 1 1 7  12 47 o 18.1001 4.69022 0.914576     0.571969  0.318971     0.637246  9.94723     349.802     4.63578     169.802     
1 1 1 7  12 48 o 11.02   3.63609 -0.333325    0.507198  -0.319539    0.514483  1.42533     282.868     6.53315     102.868     
1 1 1 7  12 49 f 23.6387 4.39183 0.689972     0.577317  1.91744      0.600792  20.5575     88.4444     0           0           
1 1 1 7  12 50 o 20.6785 4.50614 0.562353     0.597312  1.4155       0.553886  14.7442     352.046     1.31609     352.046     
1 1 1 7  12 51 o 20.9316 4.81049 1.23306      0.598471  0.96795      0.605803  12.5837     114.781     3.72498     294.781     
1 1 1 7  12 52 o 12.3742 3.9318  0.343215     0.569588  -0.48598     0.521726  1.00485     106.549     11.7614     286.549     
1 1 1 7  12 53 o 19.3906 4.9656  1.13877      0.647342  0.892711     0.643582  11.9364     349.987     1.06976     169.987     
1 1 1 7  12 54 o 13.9304 4.20718 0.315146     0.54633   0.313879     0.52888   0.845447    210.791     0.3805      30.7912     
1 1 1 7  12 55 f 14.2124 4.27933 -0.0140815   0.575601  0.627644     0.57345   8.87082     120.139     0           0           
1 1 1 7  12 56 o 15.5547 4.5697  0.487957     0.618174  0.654274     0.600351  5.79773     44.129      2.60839     224.129     
1 1 1 7  12 57 o 9.85212 3.40045 -0.748755    0.574375  -0.511521    0.565126  0.280495    71.0852     6.28029     71.0852     
1 1 1 7  12 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  13 0  o 77.1206 2.11745 10.9549      0.843572  10.9549      0.843572  40.5073     270         0.886276    270         
1 1 1 7  13 1  o 254.108 2.17861 117.84       2.86864   119.101      2.87061   296.494     32.9313     123.262     32.9313     
1 1 1 7  13 2  o 94.6226 2.09369 16.57        1.02701   16.3141      1.02428   67.3021     321.977     12.1702     141.977     
1 1 1 7  13 3  o 53.7104 2.45859 4.90091      0.67657   5.7495       0.682023  2.46597     86.1877     18.1962     266.188     
1 1 1 7  13 4  o 226.734 2.31125 95.2581      2.72202   93.4238      2.71069   242.02      351.51      65.5671     351.51      
1 1 1 7  13 5  o 225.166 2.22604 93.1599      2.69735   92.9042      2.49529   239.933     261.415     64.0513     261.415     
1 1 1 7  13 6  o 217.426 2.51306 86.9114      2.82789   86.6496      2.83678   173.68      239.179     56.8898     59.1794     
1 1 1 7  13 7  o 106.907 2.51302 23.2594      1.39659   18.8645      1.37531   36.0697     267.601     118.623     87.601      
1 1 1 7  13 8  o 357.01  2.82376 232.571      5.22205   235.644      5.22911   441.873     175.611     214.371     175.611     
1 1 1 7  13 9  o 288.925 2.65882 151.11       3.97394   155.504      3.9897    312.309     86.9625     84.0121     86.9625     
1 1 1 7  13 10 o 24.2845 3.28401 1.48397      0.433437  0.802431     0.364751  47.6716     179.979     121.211     179.979     
1 1 1 7  13 11 o 28.3625 3.47303 1.48658      0.492847  1.55765      0.491226  8.07925     265.955     31.5977     265.955     
1 1 1 7  13 12 o 81.2948 2.39988 11.2032      0.955454  13.147       1.06362   62.198      23.6058     14.7213     203.606     
1 1 1 7  13 13 f 288.745 2.42673 156.684      3.64156   149.569      3.62173   263.69      248.733     0           0           
1 1 1 7  13 14 o 205.501 2.23503 78.8454      2.30301   76.2368      2.45321   231.883     120.214     84.6002     120.214     
1 1 1 7  13 15 o 109.309 2.12594 21.6671      1.20205   22.2375      1.2047    131.201     237.85      76.8767     237.85      
1 1 1 7  13 16 o 193.861 2.15935 66.8362      2.16486   71.2037      2.17363   214.612     109.814     73.5124     109.814     
1 1 1 7  13 17 o 133.579 2.12924 33.2339      1.47078   32.2925      1.47753   125.95      172.312     11.1279     172.312     
1 1 1 7  13 18 o 190.415 2.22657 67.1696      2.12585   66.0091      2.26595   187.11      20.6327     25.4277     20.6327     
1 1 1 7  13 19 o 120.277 2.27895 26.6396      1.41598   26.5425      1.42312   141.607     127.711     73.1616     127.711     
1 1 1 7  13 20 o 89.4689 2.51994 14.329       1.1631    15.1461      1.16904   65.6306     6.35736     25.1684     186.357     
1 1 1 7  13 21 o 93.366  2.45266 16.7853      1.22963   15.3156      1.14082   62.7294     57.1429     39.5124     237.143     
1 1 1 7  13 22 o 86.0686 2.23699 14.4611      1.00096   12.8183      0.989572  70.5022     249.205     8.62641     69.2055     
1 1 1 7  13 23 o 100.297 2.21781 18.3226      1.15089   18.6798      1.15227   90.7001     194.598     4.70503     194.598     
1 1 1 7  13 24 o 177.186 2.20209 58.9763      2.02566   56.4276      2.01881   163.109     35.9754     5.70468     35.9754     
1 1 1 7  13 25 o 160.038 2.19761 47.6999      1.82506   46.4586      1.8209    164.117     236.68      41.3338     236.68      
1 1 1 7  13 26 o 133.768 2.22327 33.2133      1.54275   32.5985      1.5404    114.354     160.45      9.36157     340.45      
1 1 1 7  13 27 o 105.941 2.44793 21.1595      1.34458   20.2199      1.33997   75.6688     12.2691     34.9205     192.269     
1 1 1 7  13 28 o 74.7259 2.58874 10.0716      0.994178  10.5703      1.00499   79.8655     21.5991     38.1373     21.5991     
1 1 1 7  13 29 o 93.7965 2.2885  16.6027      1.10955   15.8638      1.11195   87.7969     339.743     12.2314     339.743     
1 1 1 7  13 30 o 80.2853 2.3438  12.7272      0.974599  11.126       0.968976  57.318      38.9703     25.8132     218.97      
1 1 1 7  13 31 o 118.973 2.41089 26.0282      1.47791   26.3317      1.49266   130.843     303.28      52.3817     303.28      
1 1 1 7  13 32 o 132.04  2.32113 33.1123      1.6314    31.3768      1.54623   115.869     319.44      1.1037      139.441     
1 1 1 7  13 33 o 39.2266 2.87752 2.99618      0.580118  2.79266      0.572708  23.6659     124.224     15.9306     304.224     
1 1 1 7  13 34 o 20.7433 4.3316  0.492151     0.537935  1.13257      0.506103  3.0779      95.9559     17.3576     275.956     
1 1 1 7  13 35 o 21.9555 4.33359 0.735621     0.483894  1.18221      0.550386  5.27443     335.65      0.607491    155.65      
1 1 1 7  13 36 f 60.0953 2.54771 6.65301      0.787768  6.88469      0.792097  57.4428     269.148     0           0           
1 1 1 7  13 37 o 18.4116 4.00445 0.873573     0.428857  0.416446     0.440379  2.66083     118.507     20.1312     298.507     
1 1 1 7  13 38 o 20.8748 4.13095 0.500587     0.498326  1.21977      0.482453  7.19263     328.338     16.6424     148.338     
1 1 1 7  13 39 o 40.5038 3.22636 3.38634      0.661076  2.94833      0.666347  36.4753     226.746     6.1497      226.746     
1 1 1 7  13 40 o 60.1537 2.70962 6.8625       0.812512  6.87608      0.86747   54.4788     182.076     7.70391     182.076     
1 1 1 7  13 41 o 16.3473 4.25718 0.222424     0.494096  0.641678     0.484082  1.41327     166.83      0.208832    166.83      
1 1 1 7  13 42 o 12.1847 3.70003 0.0336665    0.42578   0.0257635    0.414074  0.794645    161.128     9.23468     341.128     
1 1 1 7  13 43 f 17.5616 4.34883 0.400098     0.4714    0.77902      0.519817  12.1694     8.55352     0           0           
1 1 1 7  13 44 o 10.852  3.51494 -0.108855    0.404397  -0.417       0.500648  0.00192105  112.128     6.13363     112.131     
1 1 1 7  13 45 o 23.6705 4.54705 1.82155      0.647643  0.663234     0.566432  18.6477     146.241     3.34793     146.241     
1 1 1 7  13 46 o 27.3306 4.50388 1.36721      0.674548  1.9302       0.59098   23.4069     168.113     5.69007     168.113     
1 1 1 7  13 47 o 58.3845 3.0106  7.00778      0.865535  6.60103      0.9384    59.9606     137.515     25.5077     137.515     
1 1 1 7  13 48 o 21.2603 4.58796 1.66886      0.630318  0.37512      0.613115  12.1722     83.4445     7.10577     263.445     
1 1 1 7  13 49 o 19.6793 4.57256 0.611281     0.541391  1.20379      0.571261  12.8126     140.364     1.18502     320.364     
1 1 1 7  13 50 o 14.7636 4.33276 0.250764     0.526     0.460889     0.565565  5.28411     102.774     5.42288     282.774     
1 1 1 7  13 51 f 18.2408 4.19207 1.56725      0.604018  -0.25039     0.545414  16.8061     157.731     0           0           
1 1 1 7  13 52 o 15.7133 4.487   0.478558     0.552193  0.585781     0.577056  6.27169     121.344     0.837721    121.344     
1 1 1 7  13 53 o 28.568  4.79018 1.73763      0.683213  2.54541      0.727087  23.9706     101.662     7.43892     101.662     
1 1 1 7  13 54 f 30.1853 4.80835 2.43335      0.711806  2.34585      0.75722   19.8871     107.628     0           0           
1 1 1 7  13 55 o 32.7409 4.53533 2.72826      0.738907  2.7432       0.74543   28.9035     189.35      10.8984     189.35      
1 1 1 7  13 56 o 11.7554 3.82294 -1.1187      0.599038  0.453418     0.582081  1.51286     40.9959     4.80504     220.996     
1 1 1 7  13 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  14 0  o 295.556 2.26107 160.266      3.46314   160.266      3.46314   370.766     90          182.951     90          
1 1 1 7  14 1  f 420.294 2.55646 324.329      5.56943   324.387      5.56975   313.617     179.55      0           0           
1 1 1 7  14 2  o 105.592 2.17104 19.7226      1.13537   21.2503      1.23908   101.766     262.381     20.6257     262.381     
1 1 1 7  14 3  o 113.031 2.1885  23.5485      1.33477   23.3817      1.22533   121.944     311.447     47.7339     311.447     
1 1 1 7  14 4  o 161.234 2.46046 46.4082      2.04796   49.0709      2.06403   112.871     327.912     72.3763     147.912     
1 1 1 7  14 5  o 99.5439 2.53611 19.0919      1.30754   17.3673      1.30337   49.6124     167.764     80.3076     347.764     
1 1 1 7  14 6  o 98.7865 2.49668 17.9407      1.27228   17.9441      1.28054   67.6632     327.17      41.1148     147.17      
1 1 1 7  14 7  o 116.188 2.50088 24.767       1.50373   24.8592      1.50518   132.423     346.855     60.9846     346.855     
1 1 1 7  14 8  o 41.8778 3.24586 2.75778      0.692043  3.81319      0.673056  6.22027     155.138     37.9366     335.138     
1 1 1 7  14 9  o 52.2727 3.05632 5.69945      0.816927  4.45477      0.814288  4.38986     31.4316     75.3999     211.432     
1 1 1 7  14 10 o 135.047 2.70624 34.8903      1.89292   32.2127      1.88998   113.767     210.657     18.2104     30.6566     
1 1 1 7  14 11 o 27.1095 4.04045 1.79584      0.548531  1.04256      0.555419  31.4134     273.169     93.9295     273.169     
1 1 1 7  14 12 o 324.19  2.79924 190.711      4.67208   195.681      4.73601   311.104     204.186     18.7128     204.186     
1 1 1 7  14 13 o 177.395 2.50266 57.1906      2.29826   58.4429      2.30421   196.255     307.248     68.8036     307.248     
1 1 1 7  14 14 o 179.142 2.23211 58.2264      1.98606   59.6437      2.15766   161.76      192.126     4.78321     12.1261     
1 1 1 7  14 15 o 97.4348 2.17582 17.1338      1.09851   17.7695      1.09626   81.2852     302.272     7.6112      122.272     
1 1 1 7  14 16 o 175.745 2.13221 57.0451      1.94075   56.3845      1.94403   161.438     239.575     2.08055     239.575     
1 1 1 7  14 17 f 175.339 2.22929 56.2412      1.95838   56.6912      2.09223   146.616     184.916     0           0           
1 1 1 7  14 18 o 208.604 2.32579 80.588       2.51331   79.303       2.51639   220.368     191.364     59.8496     191.364     
1 1 1 7  14 19 o 99.8225 2.31844 18.028       1.19194   18.6279      1.20403   68.9508     17.9529     39.3041     197.953     
1 1 1 7  14 20 o 338.329 2.69644 220.566      4.92386   200.716      4.53641   347.986     196.268     75.6773     196.268     
1 1 1 7  14 21 o 122.962 2.19038 26.6533      1.38956   28.9457      1.40003   101.809     353.886     16.6176     173.886     
1 1 1 7  14 22 o 129.082 2.19311 31.8293      1.47291   29.4316      1.4607    109.221     330.343     12.4581     150.343     
1 1 1 7  14 23 o 163.9   2.20416 50.3095      1.87695   48.4511      1.86799   165.194     7.73523     36.3666     7.73522     
1 1 1 7  14 24 o 152.942 2.20468 41.9442      1.74325   44.0842      1.75183   177.427     178.792     83.7286     178.792     
1 1 1 7  14 25 o 61.9046 2.41062 6.41542      0.761733  7.76692      0.775054  47.4743     229.513     2.86939     49.513      
1 1 1 7  14 26 o 51.6666 2.53605 5.39426      0.677216  4.51029      0.669065  24.6033     155.479     33.8272     335.479     
1 1 1 7  14 27 o 26.5323 3.60705 2.03561      0.485052  0.767378     0.467183  3.04775     300.848     37.6555     300.848     
1 1 1 7  14 28 o 45.1244 3.01981 4.37448      0.697509  3.27221      0.686849  39.3224     31.4152     11.9094     31.4152     
1 1 1 7  14 29 o 67.9783 2.50908 9.16578      0.926907  7.98096      0.836013  57.5416     1.59249     2.0614      181.592     
1 1 1 7  14 30 o 90.9143 2.42073 15.0771      1.13306   15.5337      1.14441   95.991      17.3211     34.0993     17.3211     
1 1 1 7  14 31 o 11.5974 3.21503 0.440535     0.363733  -0.600731    0.323562  5.06949     90.2097     13.9627     90.2097     
1 1 1 7  14 32 o 136.007 2.27105 32.3899      1.5852    36.1671      1.61479   119.445     1.71116     0.512955    1.71112     
1 1 1 7  14 33 o 36.6264 2.99058 2.17066      0.542845  2.93823      0.56284   30.4697     281.054     5.1421      281.054     
1 1 1 7  14 34 o 21.5704 4.2469  0.698267     0.528141  1.12428      0.478932  4.32492     275.727     21.0384     95.7274     
1 1 1 7  14 35 o 44.8955 3.19566 3.35928      0.690768  4.36073      0.775032  39.3152     128.983     4.47777     128.983     
1 1 1 7  14 36 o 14.8382 3.7939  -0.148216    0.382622  0.711591     0.456058  0.658509    358.33      1.33738     178.33      
1 1 1 7  14 37 o 81.6614 2.56174 11.3616      1.06936   13.7855      1.08763   78.262      148.843     17.109      148.843     
1 1 1 7  14 38 o 11.7408 3.60848 0.0535659    0.404167  -0.137929    0.420151  1.74508     219.405     16.1658     219.405     
1 1 1 7  14 39 o 78.9137 2.65563 12.4903      1.07691   11.1142      1.08581   70.1582     116.924     6.68107     116.924     
1 1 1 7  14 40 o 22.6943 4.89182 1.007        0.53708   1.15234      0.722007  9.2284      5.55842     16.2924     185.558     
1 1 1 7  14 41 o 49.8651 2.9845  4.47676      0.785566  5.14787      0.733603  36.8398     154.565     8.92795     334.565     
1 1 1 7  14 42 o 29.409  3.85732 1.54156      0.565363  2.00483      0.564053  20.2898     5.00291     5.60584     185.003     
1 1 1 7  14 43 o 49.444  3.0259  5.14527      0.794481  4.42002      0.741     35.0623     94.9037     10.9676     274.904     
1 1 1 7  14 44 o 68.5644 2.63586 8.99718      0.930493  9.15666      0.936068  72.4139     11.2636     32.4292     11.2636     
1 1 1 7  14 45 o 12.3707 3.69746 -0.757809    0.435934  0.489167     0.495349  2.85811     138.367     4.09703     318.367     
1 1 1 7  14 46 o 13.3807 3.98028 -0.115111    0.480364  0.371137     0.487013  3.11022     290.45      10.3469     110.45      
1 1 1 7  14 47 o 12.7199 3.87612 0.235134     0.46437   -0.0713722   0.47716   2.60429     54.0223     10.4329     234.022     
1 1 1 7  14 48 f 15.892  4.4695  0.191176     0.560229  0.704544     0.572732  9.43388     316.192     0           0           
1 1 1 7  14 49 o 14.6043 4.3551  0.185109     0.591909  0.41415      0.54642   5.13745     122.495     2.08139     302.495     
1 1 1 7  14 50 o 38.0396 3.7369  3.4242       0.717283  2.99491      0.713015  31.366      317.197     4.14432     317.197     
1 1 1 7  14 51 o 10.3899 3.50432 -0.383439    0.5151    -0.446202    0.534902  0.418462    256.661     4.84902     76.6613     
1 1 1 7  14 52 o 18.0049 4.71704 0.73164      0.580527  0.961732     0.593864  9.5684      241.409     2.04165     61.4087     
1 1 1 7  14 53 o 14.9512 4.38467 0.806573     0.599753  0.0105917    0.570746  4.09568     175.099     3.5765      355.099     
1 1 1 7  14 54 o 11.6023 3.84878 -0.367032    0.587068  -0.0404954   0.588904  0.615986    286.251     4.92456     106.251     
1 1 1 7  14 55 o 12.8827 4.06284 0.127983     0.551938  0.231323     0.550526  2.48348     210.879     3.00255     30.8795     
1 1 1 7  14 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  15 0  o ?       ?       -0.445404    0.104295  -0.445404    0.104295  14.8179     89.9999     0           0           
1 1 1 7  15 1  o 187.664 2.10507 65.1718      2.04955   64.1185      2.04589   223.766     13.2939     104.1       13.2939     
1 1 1 7  15 2  o 101.882 2.27615 18.8788      1.19969   19.2764      1.20134   57.9797     12.4326     66.8013     192.433     
1 1 1 7  15 3  o 70.4026 2.61463 9.69744      0.953254  8.58159      0.946055  59.4404     151.841     9.90638     151.841     
1 1 1 7  15 4  o 158.253 2.46046 46.5901      2.02041   45.4114      2.01612   165.474     82.5159     42.7416     82.5159     
1 1 1 7  15 5  o 101.042 2.51634 18.763       1.31434   18.7915      1.31745   80.9168     306.7       16.7816     126.7       
1 1 1 7  15 6  o 79.06   2.66651 10.8625      1.116     12.1792      1.05604   63.2543     120.736     6.05639     300.736     
1 1 1 7  15 7  o 152.164 2.68185 44.527       2.12189   40.6437      2.10431   161.638     312.763     47.6576     312.763     
1 1 1 7  15 8  o 73.1019 2.82476 10.5523      1.06852   9.17757      1.06057   51.2969     201.841     18.8068     21.8409     
1 1 1 7  15 9  o 157.839 2.69258 46.2991      2.20563   45.2821      2.20021   170.637     284.329     55.4628     284.329     
1 1 1 7  15 10 o 58.0747 2.76465 6.72346      0.826221  5.75151      0.824613  36.1521     23.7853     11.1874     23.7853     
1 1 1 7  15 11 o 82.5642 2.61958 12.3857      1.11023   12.7222      1.12631   78.995      143.538     23.0989     143.538     
1 1 1 7  15 12 o 65.0295 2.92356 8.18985      1.03843   7.43722      0.922786  51.4441     161.834     5.69267     161.834     
1 1 1 7  15 13 o 135.67  2.80811 32.9757      1.96574   34.7874      1.97892   136.715     63.8692     30.3881     63.8692     
1 1 1 7  15 14 o 117.739 2.59851 25.6015      1.56271   25.4091      1.60474   95.2615     77.6029     19.9354     257.603     
1 1 1 7  15 15 f 29.8308 3.2478  1.59611      0.486055  1.7582       0.485255  50.9994     293.925     0           0           
1 1 1 7  15 16 o 113.192 2.22766 24.1311      1.26595   22.9807      1.34202   78.4095     356.546     45.7703     176.546     
1 1 1 7  15 17 o 37.4611 2.78523 2.70338      0.535511  2.51733      0.529611  9.74641     128.996     8.54196     308.996     
1 1 1 7  15 18 o 101.749 2.30689 20.0377      1.21538   18.0737      1.21256   83.3122     339.303     13.3585     159.303     
1 1 1 7  15 19 o 165.38  2.4197  52.155       1.99273   48.44        2.14526   154.668     228.075     10.9325     228.075     
1 1 1 7  15 20 o 195.749 2.34135 70.3078      2.3755    70.5802      2.37596   220.107     301.953     87.5175     301.953     
1 1 1 7  15 21 o 28.1945 3.37581 2.42467      0.461685  0.778475     0.447242  11.3888     19.2167     56.0576     19.2167     
1 1 1 7  15 22 o 85.387  2.27185 13.7488      1.00775   13.1093      0.999501  75.747      289.908     6.24473     289.908     
1 1 1 7  15 23 o 114.846 2.22879 24.2523      1.32176   24.3094      1.3294    107.272     214.518     13.7758     214.518     
1 1 1 7  15 24 o 54.8396 2.49353 6.43822      0.707862  4.75177      0.691641  33.2389     150.061     21.3392     330.061     
1 1 1 7  15 25 o 43.8499 2.69717 3.01148      0.595486  4.18658      0.606044  29.2056     139.442     4.35235     319.442     
1 1 1 7  15 26 o 64.8615 2.39102 8.01307      0.800694  7.54942      0.800973  52.2034     184.949     5.43021     4.94868     
1 1 1 7  15 27 o 62.6654 2.41265 7.76214      0.785196  6.79712      0.774281  45.9365     121.219     15.8767     301.219     
1 1 1 7  15 28 o 13.3918 3.56805 0.0485583    0.346991  0.393249     0.351859  6.03012     144.08      18.8885     144.08      
1 1 1 7  15 29 o 30.2742 3.80893 1.55537      0.561067  1.99322      0.588994  9.29828     345.621     27.8205     165.621     
1 1 1 7  15 30 o 68.458  2.57466 9.36921      0.983557  8.09367      0.838281  55.5233     263.118     6.14329     83.1185     
1 1 1 7  15 31 o 40.3522 2.86025 3.45075      0.588214  2.7022       0.584472  24.7385     350.417     16.0931     170.416     
1 1 1 7  15 32 o 43.1199 2.81519 2.61957      0.593974  4.50907      0.615905  45.074      193.222     33.5154     193.222     
1 1 1 7  15 33 o 37.2452 3.09063 2.74491      0.612055  2.54397      0.558788  37.5627     124.997     25.7932     124.997     
1 1 1 7  15 34 o 45.2849 2.95031 3.69077      0.680161  4.101        0.688091  51.1057     161.348     29.9884     161.348     
1 1 1 7  15 35 o 51.4192 2.91594 4.87886      0.761928  5.16808      0.779359  41.286      91.4406     3.88355     271.441     
1 1 1 7  15 36 o 24.1738 4.65228 1.0078       0.539958  1.40303      0.660036  14.2981     228.483     8.93492     228.483     
1 1 1 7  15 37 o 50.2233 2.94018 5.12596      0.78389   4.51176      0.73329   45.9172     77.694      8.01238     77.694      
1 1 1 7  15 38 o 23.9299 4.15325 0.626013     0.557785  1.72119      0.529905  11.9367     251.263     13.1934     71.2632     
1 1 1 7  15 39 o 63.3045 2.89627 7.33571      0.905672  8.04448      0.985385  56.8554     142.482     7.93868     142.482     
1 1 1 7  15 40 o 50.1134 3.03655 4.35544      0.768692  5.40316      0.787542  38.3812     261.239     6.03123     81.2389     
1 1 1 7  15 41 o 16.552  4.01724 0.841854     0.453948  0.0755628    0.463659  7.68009     130.975     2.50904     310.975     
1 1 1 7  15 42 f 45.4552 3.03992 3.81843      0.701462  4.27554      0.712565  25.7235     25.1131     0           0           
1 1 1 7  15 43 o 39.4021 3.27962 2.452        0.629768  3.81775      0.658017  31.837      134.597     0.460714    134.597     
1 1 1 7  15 44 o 22.617  4.37263 1.11699      0.526504  1.13191      0.527994  19.4617     281.718     10.1832     281.718     
1 1 1 7  15 45 o 40.7104 3.56592 3.70473      0.728153  3.16018      0.737812  34.0521     45.7766     3.21813     45.7767     
1 1 1 7  15 46 o 13.5545 4.04024 0.265556     0.492279  0.124819     0.479385  4.44767     100.897     7.53864     280.897     
1 1 1 7  15 47 o 15.4292 4.19481 0.725773     0.505851  0.120816     0.484545  7.58925     116.963     1.33041     296.963     
1 1 1 7  15 48 o 13.6505 4.03994 0.557328     0.496725  -0.405753    0.57586   3.98794     155.18      5.10045     335.18      
1 1 1 7  15 49 o 12.0668 3.95148 -0.257098    0.576168  -0.0907394   0.596046  1.31801     47.986      2.06061     227.986     
1 1 1 7  15 50 o 14.711  4.2452  0.78819      0.575716  -0.0874315   0.50957   1.05125     107.772     0.143531    107.772     
1 1 1 7  15 51 o 14.1908 4.1765  -0.214486    0.518707  0.763487     0.573361  4.23681     163.737     2.99527     343.737     
1 1 1 7  15 52 o 12.8763 4.01927 0.279314     0.524341  0.0110094    0.535074  0.749563    14.2526     1.40262     194.253     
1 1 1 7  15 53 o 13.3011 4.1082  0.0458852    0.541215  0.385101     0.542364  0.670379    110.9       0.660413    290.9       
1 1 1 7  15 54 o 8.9392  3.11902 -0.570453    0.517646  -1.07059     0.528265  4.43559     64.449      16.9864     64.449      
1 1 1 7  15 55 o 14.567  4.42801 0.596486     0.61293   0.264106     0.601823  4.47152     95.7306     0.0967033   275.731     
1 1 1 7  16 0  o 386.191 2.47447 273.737      4.95263   273.737      4.95263   467.527     90          216.398     90          
1 1 1 7  16 1  o 119.937 2.19814 26.3841      1.30891   26.4641      1.42077   77.1495     130.912     61.7335     310.912     
1 1 1 7  16 2  o 25.738  2.99448 1.07755      0.402869  1.43375      0.356532  36.9529     306.038     104.042     306.038     
1 1 1 7  16 3  o 19.8513 3.79687 1.13091      0.429316  0.328447     0.433228  61.6        114.258     145.983     114.258     
1 1 1 7  16 4  o 145.558 2.60837 37.922       2.03495   39.9938      1.89155   139.358     53.884      16.1445     53.884      
1 1 1 7  16 5  o 233.145 2.7888  96.6392      3.36378   103.294      3.37447   272.5       313.802     118.185     313.802     
1 1 1 7  16 6  f 72.9438 2.8705  10.7826      1.08396   8.89255      1.07146   93.6015     206.862     0           0           
1 1 1 7  16 7  o 264.553 2.85618 126.823      3.91448   130.604      3.91851   216.718     324.457     53.8354     144.457     
1 1 1 7  16 8  o 56.3199 2.87678 5.81391      0.805898  5.91365      0.861912  5.53042     39.0395     82.3448     219.04      
1 1 1 7  16 9  o 55.1392 2.85531 5.37177      0.80186   5.87632      0.818387  24.5942     183.132     10.5264     183.132     
1 1 1 7  16 10 o 54.5411 2.87762 5.93376      0.806024  5.08577      0.805408  21.1276     275.481     44.4744     95.4811     
1 1 1 7  16 11 o 94.2013 2.6061  15.3936      1.25696   17.3079      1.28122   82.8077     288.199     2.0596      288.199     
1 1 1 7  16 12 o 186.822 2.82284 63.913       2.72639   64.4781      2.74094   148.439     194.337     43.4459     14.3374     
1 1 1 7  16 13 o 143.813 2.82915 38.382       2.10891   37.7665      2.10501   132.584     93.6554     6.38174     93.6554     
1 1 1 7  16 14 o 82.8672 2.69911 13.5034      1.15353   11.835       1.15501   60.8374     273.51      21.9704     93.5098     
1 1 1 7  16 15 o 18.5007 4.30587 0.213711     0.473316  0.937691     0.537624  7.81356     64.952      21.5968     64.952      
1 1 1 7  16 16 o 66.6668 2.51112 8.08943      0.902803  8.30183      0.823367  67.0817     232.9       36.5437     232.9       
1 1 1 7  16 17 o 54.7662 2.69492 5.38186      0.708723  5.71176      0.810815  29.4177     246.144     29.1301     66.1443     
1 1 1 7  16 18 o 113.699 2.30536 22.3626      1.34375   25.2532      1.36844   100.656     51.3187     0.890192    51.3188     
1 1 1 7  16 19 o 104.384 2.44401 20.0616      1.36622   20.0709      1.27326   101.829     139.951     22.5289     139.951     
1 1 1 7  16 20 o 49.271  2.61386 4.53444      0.687813  4.45623      0.63698   26.639      255.141     19.6314     75.1407     
1 1 1 7  16 21 o 135.015 2.19162 34.4419      1.53716   32.6349      1.52985   153.903     134.89      71.6016     134.89      
1 1 1 7  16 22 o 137.799 2.20746 35.7642      1.57971   34.1384      1.57333   143.689     108.969     44.5571     108.969     
1 1 1 7  16 23 o 86.0919 2.29181 13.683       1.01859   13.6616      1.02326   78.6777     87.149      9.31105     87.149      
1 1 1 7  16 24 o 56.8248 2.57385 6.29001      0.794994  5.6883       0.71378   58.4619     55.4714     27.7011     55.4714     
1 1 1 7  16 25 o 11.2339 3.31615 0.0221696    0.318634  0.0734309    0.325335  8.03621     264.368     20.7897     264.368     
1 1 1 7  16 26 o 14.2397 3.58474 0.502022     0.355933  0.099669     0.34073   5.13702     271.449     17.8303     271.449     
1 1 1 7  16 27 o 34.6355 2.94175 1.89745      0.508026  2.65425      0.51414   22.7951     353.311     6.63679     173.311     
1 1 1 7  16 28 o 112.046 2.39509 24.4951      1.39062   22.0761      1.38569   120.901     239.475     46.9744     239.475     
1 1 1 7  16 29 o 67.7437 2.57911 9.0682       0.888517  8.04601      0.911864  73.2952     342.987     32.9211     342.987     
1 1 1 7  16 30 o 17.7761 4.12001 0.343094     0.450892  0.78959      0.453955  1.00333     214.522     11.9059     34.5224     
1 1 1 7  16 31 o 47.4067 2.95017 3.80036      0.626404  4.71566      0.810269  49.0945     260.962     21.7527     260.962     
1 1 1 7  16 32 o 28.1853 3.70939 1.97613      0.490579  1.17807      0.537549  15.9867     284.366     11.5125     104.366     
1 1 1 7  16 33 o 36.0324 3.43315 2.82802      0.678592  2.21762      0.572733  32.1401     96.2961     7.0174      96.2961     
1 1 1 7  16 34 o 44.2022 3.01886 3.72437      0.690272  3.73931      0.675792  31.0403     88.8826     11.6761     268.883     
1 1 1 7  16 35 o 67.8969 2.60834 8.3462       0.911187  9.04895      0.916936  62.0037     123.209     9.05256     123.209     
1 1 1 7  16 36 o 41.1069 3.43872 3.02215      0.7147    3.56473      0.717519  40.0638     59.5521     13.1876     59.5521     
1 1 1 7  16 37 o 35.0997 3.49404 2.9126       0.580022  1.97528      0.622835  23.122      172.643     10.8905     352.643     
1 1 1 7  16 38 o 74.5874 2.66111 9.48835      1.00366   11.7651      1.04168   71.3297     291.927     17.9364     291.927     
1 1 1 7  16 39 o 12.9217 3.85443 0.200341     0.43384   -0.0428573   0.460518  1.92642     211.338     7.51818     31.3377     
1 1 1 7  16 40 o 44.3252 2.98877 4.5071       0.676269  3.19751      0.663648  36.634      359.792     1.24863     359.792     
1 1 1 7  16 41 o 10.6478 3.34474 0.169495     0.403004  -0.657418    0.400671  0.0497456   85.763      5.41296     265.763     
1 1 1 7  16 42 o 36.587  3.44438 2.26823      0.624068  3.17511      0.632541  35.1559     353.869     12.8249     353.869     
1 1 1 7  16 43 o 23.644  4.32033 1.3304       0.532105  1.12446      0.537277  17.5243     304.1       0.212058    304.1       
1 1 1 7  16 44 o 11.3728 3.58218 -0.317311    0.414549  0.132689     0.454717  0.513928    197.351     14.7356     197.351     
1 1 1 7  16 45 o 44.2924 3.42962 4.27315      0.769945  3.8882       0.776578  40.5466     111.404     10.7863     111.404     
1 1 1 7  16 46 o 30.9276 4.02481 2.08486      0.62024   2.15261      0.622662  20.9533     180.129     5.78425     0.129004    
1 1 1 7  16 47 o 13.5438 3.98289 0.503722     0.485535  -0.119481    0.486572  3.07741     139.825     1.66963     319.825     
1 1 1 7  16 48 f 15.6732 4.2601  0.866112     0.531711  0.0521871    0.520696  8.22988     66.5253     0           0           
1 1 1 7  16 49 o 22.4393 5.01885 1.11242      0.662056  1.60511      0.66741   16.9021     152.244     4.00021     152.244     
1 1 1 7  16 50 o 13.7761 4.31449 0.274135     0.682368  0.161909     0.534139  1.251       216.137     0.532213    36.1375     
1 1 1 7  16 51 o 15.3231 4.39132 0.732381     0.562915  0.268896     0.54583   4.10294     216.923     1.71324     36.9225     
1 1 1 7  16 52 o 18.2122 4.51926 1.46736      0.618847  0.1676       0.587188  9.33064     228.398     0.954001    228.398     
1 1 1 7  16 53 o 15.4898 4.59078 0.392219     0.634775  0.729034     0.620691  4.66563     146.167     8.81154     326.167     
1 1 1 7  16 54 o 16.1322 4.69501 0.421836     0.731635  0.85086      0.591826  6.06852     132.952     1.46601     132.952     
1 1 1 7  17 0  o 56.2255 2.29944 5.85821      0.664998  5.85821      0.664998  0.319       270         104.081     270         
1 1 1 7  17 1  o 42.2622 2.6977  2.9756       0.589981  3.66306      0.571346  16.6248     46.8289     100.467     46.8289     
1 1 1 7  17 2  o 107.738 2.71446 21.1483      1.51486   21.5893      1.51203   89.9925     62.2149     10.3961     242.215     
1 1 1 7  17 3  o 134.674 2.71872 32.7787      1.89339   33.9763      1.89821   138.165     206.582     36.0802     206.582     
1 1 1 7  17 4  o 82.6885 2.79829 13.7359      1.20286   11.5183      1.18344   51.5555     81.161      40.291      261.161     
1 1 1 7  17 5  o 144.588 2.72292 39.7661      2.04421   37.1902      2.03239   155.283     213.31      51.9474     213.31      
1 1 1 7  17 6  o 66.1551 2.84904 8.40482      0.936896  7.7606       1.00261   58.3753     115.727     14.4809     115.727     
1 1 1 7  17 7  o 163.592 2.5231  48.384       2.13303   50.0001      2.14589   137.836     290.271     20.4453     110.271     
1 1 1 7  17 8  o 90.8818 2.63421 17.0512      1.2339    13.4757      1.22997   81.8406     264.512     6.63108     264.512     
1 1 1 7  17 9  o 99.7701 2.57945 18.6297      1.32854   18.0217      1.33459   84.6288     49.288      5.99358     229.288     
1 1 1 7  17 10 o 56.1724 2.86702 5.93929      0.826959  5.73295      0.831115  25.2976     336.487     41.7955     156.487     
1 1 1 7  17 11 o 210.88  2.57983 81.6355      2.82003   81.9103      2.82005   210.715     162.592     39.1989     162.592     
1 1 1 7  17 12 o 55.4204 3.36069 6.0039       0.951986  5.40982      0.957678  2.44793     189.72      88.9657     9.71981     
1 1 1 7  17 13 o 82.2213 3.17645 12.9927      1.28196   12.0064      1.40552   73.1046     35.555      6.3625      35.555      
1 1 1 7  17 14 o 49.3757 3.29773 5.41452      0.818145  3.73433      0.823132  24.8663     257.387     25.6622     77.387      
1 1 1 7  17 15 o 84.4294 2.92153 12.2559      1.25142   14.0995      1.29593   88.6015     356.541     37.2622     356.541     
1 1 1 7  17 16 o 42.7086 3.54732 3.1145       0.747077  3.72932      0.791741  15.2723     243.525     1.03553     243.525     
1 1 1 7  17 17 o 75.7687 3.00356 10.7365      1.16227   10.5047      1.18707   81.689      310.988     53.4401     310.988     
1 1 1 7  17 18 o 56.9071 2.82526 5.24436      0.806515  6.8062       0.8428    35.8895     309.658     17.8514     129.658     
1 1 1 7  17 19 o 56.944  2.56122 6.0541       0.753155  5.94397      0.750991  34.9066     229.255     22.0877     49.2545     
1 1 1 7  17 20 o 68.5764 2.34024 8.81358      0.832355  8.55136      0.826446  45.3225     123.039     25.4357     303.039     
1 1 1 7  17 21 o 110.402 2.22997 21.8942      1.27448   23.0545      1.27458   92.9623     249.807     7.87803     69.8066     
1 1 1 7  17 22 o 33.6966 2.87563 2.22022      0.493899  2.04275      0.489737  14.3972     276.102     21.328      96.1018     
1 1 1 7  17 23 o 72.3669 2.32752 9.0048       0.863944  10.3914      0.874965  73.3272     187.118     22.9156     187.118     
1 1 1 7  17 24 o 57.0471 2.44032 5.95031      0.716665  6.12557      0.719756  43.5691     157.929     9.35541     337.929     
1 1 1 7  17 25 o 12.1464 3.36684 0.342313     0.338053  -0.115719    0.318642  9.10881     352.19      25.4268     352.19      
1 1 1 7  17 26 o 86.6931 2.44986 15.1627      1.04391   12.7791      1.13678   75.3869     19.805      0.953297    19.8049     
1 1 1 7  17 27 o 14.5886 4.06061 0.297372     0.36889   0.160246     0.544088  9.31302     292.595     32.564      292.595     
1 1 1 7  17 28 o 47.4595 2.65353 3.87311      0.6556    4.58005      0.633053  30.0947     146.134     18.8619     326.134     
1 1 1 7  17 29 o 61.4297 2.90413 5.80625      0.96338   8.50911      0.806625  45.851      123.279     12.5715     303.279     
1 1 1 7  17 30 o 17.675  3.9914  0.203909     0.433233  0.910472     0.455622  3.685       271.047     10.9527     91.0467     
1 1 1 7  17 31 o 50.862  2.89621 4.66973      0.751032  5.13664      0.762269  47.7339     220.95      10.8474     220.95      
1 1 1 7  17 32 o 15.6889 3.91424 0.376547     0.411213  0.477037     0.384835  2.52063     293.04      13.2001     113.04      
1 1 1 7  17 33 o 49.8316 2.84439 4.70496      0.730996  4.72815      0.725947  40.6093     184.732     2.19427     4.73206     
1 1 1 7  17 34 o 9.08522 2.97674 -0.20543     0.347912  -0.313051    0.317347  0.620973    185.514     2.72775     185.514     
1 1 1 7  17 35 o 39.7624 3.10527 3.00546      0.633073  3.10175      0.625331  30.7963     169.895     3.60376     349.895     
1 1 1 7  17 36 o 46.3334 2.83153 4.49954      0.67724   3.75098      0.6656    41.2417     282.042     6.33835     282.042     
1 1 1 7  17 37 o 23.1963 4.49854 1.10038      0.558089  1.16117      0.556323  17.2442     326.387     9.82058     326.387     
1 1 1 7  17 38 o 18.287  4.36674 0.932793     0.475486  0.223457     0.604469  5.29762     131.546     2.07005     131.546     
1 1 1 7  17 39 o 48.9371 3.22742 5.38498      0.779343  4.06978      0.815973  45.76       176.584     12.1601     176.584     
1 1 1 7  17 40 f 16.5304 4.02754 0.865045     0.469239  0.100044     0.443294  18.6552     278.204     0           0           
1 1 1 7  17 41 o 15.5515 4.21107 0.486044     0.470399  0.33431      0.483359  7.19459     35.2684     2.61756     215.268     
1 1 1 7  17 42 o 32.7886 3.68533 2.47755      0.601427  2.00548      0.603406  27.9942     289.274     4.88745     289.273     
1 1 1 7  17 43 o 13.8684 3.95211 0.504467     0.456011  -0.0768318   0.468288  4.43598     152.615     0.0802784   332.615     
1 1 1 7  17 44 o 23.2017 4.18627 1.92832      0.561667  0.522705     0.57176   17.4886     14.8084     1.11261     14.8084     
1 1 1 7  17 45 o 22.7119 4.34073 1.93097      0.598831  0.474972     0.592501  18.9028     90.5131     7.63072     90.5131     
1 1 1 7  17 46 o 30.2155 4.17558 3.05153      0.648305  1.27313      0.616302  23.6842     109.402     2.18323     109.402     
1 1 1 7  17 47 o 29.932  4.43092 2.5374       0.670392  1.76668      0.66341   26.3662     59.6064     9.02232     59.6064     
1 1 1 7  17 48 o 11.4083 3.67069 0.204463     0.504984  -0.487663    0.477551  0.946657    195.166     8.74539     15.1659     
1 1 1 7  17 49 o 29.9923 4.82233 1.50694      0.782993  3.30821      0.760132  25.6003     322.356     8.40578     322.356     
1 1 1 7  17 50 o 14.4785 4.52242 0.412914     0.626479  0.157684     0.722557  3.23342     278.861     6.51705     98.8605     
1 1 1 7  17 51 o 16.0183 4.3676  -0.0393138   0.546881  1.11859      0.594987  2.27468     286.049     0.246164    286.049     
1 1 1 7  17 52 o 15.7246 4.4192  1.07858      0.607281  -0.00156328  0.570327  6.28033     245.18      4.20547     65.1796     
1 1 1 7  17 53 o 20.6444 4.89388 1.47958      0.639727  1.02105      0.610079  13.8715     317.143     1.67395     317.143     
1 1 1 7  18 0  o 30.9565 2.88951 1.84924      0.441205  1.84924      0.441205  2.44465     90          29.3207     270         
1 1 1 7  18 1  o 228.148 2.57114 94.5647      3.18225   96.8586      2.88805   250.64      218.349     88.1216     218.349     
1 1 1 7  18 2  o 218.195 2.94721 84.6649      3.16578   90.6514      3.50107   224.826     151.301     54.6025     151.301     
1 1 1 7  18 3  o 27.7115 4.06354 1.01688      0.53875   1.98081      0.598214  12.4428     143.65      58.0936     143.65      
1 1 1 7  18 4  o 154.223 2.78329 42.4796      2.02052   45.0974      2.41946   164.791     351.294     53.7773     351.294     
1 1 1 7  18 5  o 72.5558 2.79291 8.92106      0.997724  10.5432      1.09556   57.8039     108.343     6.24281     288.343     
1 1 1 7  18 6  o 162.571 2.55077 47.5211      2.13406   49.6971      2.16478   130.242     268.423     32.0438     88.4229     
1 1 1 7  18 7  o 176.823 2.65172 54.6432      2.3172    60.4712      2.54532   157.57      186.769     3.05754     6.76872     
1 1 1 7  18 8  o 45.3711 3.28529 4.46208      0.718066  3.25489      0.775792  14.8705     345.225     39.3389     165.225     
1 1 1 7  18 9  o 56.7994 2.97492 5.55356      0.82802   6.41076      0.91195   46.2898     6.71248     21.708      6.71248     
1 1 1 7  18 10 o 102.22  2.72406 20.0215      1.37748   18.5136      1.4952    80.0473     167.225     18.7907     347.225     
1 1 1 7  18 11 o 78.7037 3.00674 10.7585      1.22858   12.1578      1.21076   84.6969     34.3432     44.4578     34.3432     
1 1 1 7  18 12 o 92.953  3.29046 16.4832      1.57297   15.4936      1.58617   70.9732     265.295     18.7911     85.2946     
1 1 1 7  18 13 o 186.895 2.81202 64.5861      2.71893   64.1455      2.72951   190.527     229.407     47.8165     229.407     
1 1 1 7  18 14 o 91.2332 2.89769 16.5097      1.36474   14.2885      1.36349   69.7544     237.95      17.2321     57.9496     
1 1 1 7  18 15 o 13.5022 3.99282 0.196047     0.460564  -0.128657    0.491815  39.4448     213.035     89.615      213.035     
1 1 1 7  18 16 f 50.4385 3.20948 4.5332       0.844468  4.95226      0.812407  38.5327     40.4162     0           0           
1 1 1 7  18 17 f 120.841 2.63512 25.3316      1.63889   28.6393      1.65456   102.61      86.4671     0           0           
1 1 1 7  18 18 o 148.4   2.76246 40.6713      2.01193   40.7133      2.23008   154.166     250.677     46.5245     250.677     
1 1 1 7  18 19 o 75.0377 3.07033 11.2864      1.09645   9.67141      1.25689   78.9095     214.381     31.0222     214.381     
1 1 1 7  18 20 o 68.3136 2.4511  7.8002       0.813046  9.52225      0.918012  75.1185     281.058     35.2936     281.058     
1 1 1 7  18 21 o 46.016  2.90812 4.16741      0.594204  3.75117      0.755665  44.2062     166.107     16.679      166.107     
1 1 1 7  18 22 o 58.517  2.8065  7.49659      0.739841  5.35047      0.896152  65.0691     173.076     35.1831     173.076     
1 1 1 7  18 23 o 33.9915 2.92715 1.94983      0.505054  2.42023      0.498399  12.1289     38.5053     29.6431     218.505     
1 1 1 7  18 24 o 78.7567 2.56572 11.3778      1.14134   11.686       0.933611  72.9473     123.004     11.041      123.004     
1 1 1 7  18 25 o 74.964  2.52766 11.0696      1.00042   9.86641      0.957845  72.4943     354.762     17.4031     354.762     
1 1 1 7  18 26 o 51.8128 2.65604 4.50001      0.698079  5.5799       0.713779  32.6768     186.696     21.6598     6.69598     
1 1 1 7  18 27 o 38.0798 3.04828 3.86278      0.587622  1.83023      0.539092  32.537      146.779     5.29238     146.779     
1 1 1 7  18 28 o 26.3017 3.50711 1.96999      0.469312  0.82648      0.444327  11.9207     240.912     16.2027     60.9121     
1 1 1 7  18 29 f 68.5444 2.41106 9.16438      0.858642  8.43083      0.848525  60.8494     111.606     0           0           
1 1 1 7  18 30 o 39.424  2.93723 2.33054      0.57258   3.67262      0.583342  35.9806     135.698     8.13434     135.698     
1 1 1 7  18 31 o 57.3806 2.68171 5.75162      0.747269  6.70676      0.839964  37.8174     170.983     21.2541     350.983     
1 1 1 7  18 32 o 41.4597 3.54636 3.33331      0.745832  3.35879      0.747517  37.4492     39.9929     6.98941     39.9929     
1 1 1 7  18 33 o 51.9883 2.84875 5.084        0.7355    5.22384      0.787528  48.5741     215.449     10.9001     215.449     
1 1 1 7  18 34 o 41.4495 2.95545 3.48836      0.630015  3.13153      0.621413  42.2845     314.53      17.7655     314.53      
1 1 1 7  18 35 o 19.6215 3.76217 1.2971       0.455495  0.227421     0.429594  10.5905     138.971     6.33097     318.971     
1 1 1 7  18 36 o 32.4883 3.37632 2.12707      0.554836  2.0566       0.548415  23.9895     130.767     3.54673     310.767     
1 1 1 7  18 37 o 65.4211 2.81274 9.54461      1.03724   7.04537      0.863437  64.0941     163.868     20.6504     163.868     
1 1 1 7  18 38 o 19.579  4.91375 0.884191     0.618658  0.656596     0.640314  5.85793     187.968     16.8658     7.9684      
1 1 1 7  18 39 o 24.1308 4.20149 0.962689     0.545025  1.53567      0.517462  18.3814     161.855     1.50219     161.855     
1 1 1 7  18 40 o 13.3033 3.88691 0.294608     0.439279  0.0573052    0.44117   1.61181     353.817     13.6296     173.817     
1 1 1 7  18 41 o 36.8314 3.34946 3.06366      0.63296   2.48452      0.611648  39.4407     12.1391     22.0909     12.1391     
1 1 1 7  18 42 o 22.6689 4.33561 1.14596      0.527077  1.18098      0.516491  14.2284     113.47      5.21144     293.47      
1 1 1 7  18 43 f 43.5184 3.21027 3.27508      0.696514  4.55315      0.712579  31.2986     243.604     0           0           
1 1 1 7  18 44 o 32.7985 4.05743 2.08374      0.641502  2.73398      0.685451  24.7961     339.607     0.578664    159.607     
1 1 1 7  18 45 o 18.1014 4.32914 1.34835      0.57971   0.00399073   0.554878  10.3915     50.2583     2.77627     50.2583     
1 1 1 7  18 46 o 26.4296 4.76664 2.24488      0.669544  1.31008      0.684732  20.6926     31.2001     3.54212     31.2001     
1 1 1 7  18 47 o 11.2386 3.62491 0.125418     0.483783  -0.374485    0.470454  0.857533    38.0508     7.74811     218.051     
1 1 1 7  18 48 o 25.693  4.71488 1.21448      0.616314  2.27547      0.689043  17.9379     61.9488     0.170636    241.949     
1 1 1 7  18 49 o 14.4856 4.06918 -0.662993    0.557537  0.977492     0.558851  2.53408     86.3638     1.69401     266.364     
1 1 1 7  18 50 o 18.8333 4.79761 1.11088      0.563767  0.827844     0.669033  10.3367     120.969     1.17668     120.969     
1 1 1 7  18 51 o 19.3619 5.04477 1.22004      0.707303  1.04946      0.626815  11.3191     280.573     3.91571     280.573     
1 1 1 7  18 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  19 0  o 94.1827 2.59838 16.364       1.26415   16.364       1.26415   78.8496     270         12.874      90          
1 1 1 7  19 1  o 158.803 2.85773 44.4344      2.23241   48.5684      2.46961   154.223     21.0177     26.0793     21.0177     
1 1 1 7  19 2  o 78.4445 2.82558 11.8492      1.14086   10.8848      1.14753   79.4349     194.324     31.5925     194.324     
1 1 1 7  19 3  o 114.989 2.74338 24.3697      1.63146   24.3775      1.63428   94.4855     289.163     12.8834     109.163     
1 1 1 7  19 4  o 55.5676 3.02238 5.83608      0.855818  5.61431      0.871263  36.1628     262.489     13.4013     82.4894     
1 1 1 7  19 5  o 76.4962 2.86275 11.1518      1.12098   10.4756      1.13966   45.1915     308.082     39.8392     128.082     
1 1 1 7  19 6  f 33.2105 3.73181 1.90571      0.607942  2.2808       0.632329  26.4881     50.734      0           0           
1 1 1 7  19 7  o 114.35  2.78345 23.0695      1.6304    25.1959      1.66328   99.7116     1.03517     0.192674    181.035     
1 1 1 7  19 8  o 173.152 2.77853 53.2959      2.47518   57.243       2.51132   168.323     75.5109     29.233      75.5109     
1 1 1 7  19 9  o 9.60334 3.15773 -0.710053    0.359505  -0.113385    0.41454   5.7312      341.016     12.1982     341.016     
1 1 1 7  19 10 o 239.311 2.88458 104.981      3.56923   106.302      3.58735   252.026     49.5583     77.0068     49.5583     
1 1 1 7  19 11 o 68.2404 3.23585 8.7029       1.20849   8.5887       1.0634    55.5537     303.114     0.809767    123.113     
1 1 1 7  19 12 o 118.813 3.22051 25.6137      1.97723   26.6785      1.98175   104.35      331.633     0.675658    331.633     
1 1 1 7  19 13 o 197.991 2.85673 73.253       2.92422   71.5361      2.93903   217.296     196.746     83.5168     196.746     
1 1 1 7  19 14 o 94.0821 2.78813 18.1307      1.41616   14.7132      1.29596   74.065      4.53613     15.3575     184.536     
1 1 1 7  19 15 o 22.1847 4.29138 1.4251       0.559913  0.450839     0.522891  5.59947     248.304     36.2648     248.304     
1 1 1 7  19 16 o 56.8032 2.97819 6.47243      0.867932  5.56039      0.869081  62.7485     42.4736     36.4514     42.4736     
1 1 1 7  19 17 o 98.9827 2.6695  18.3001      1.35817   17.9978      1.37589   106.656     328.52      41.4316     328.52      
1 1 1 7  19 18 o 23.5478 4.73877 1.44518      0.626815  0.677315     0.63117   5.10455     208.089     16.8414     28.0885     
1 1 1 7  19 19 o 73.6876 2.98597 9.4258       1.17488   10.8363      1.0832    64.9286     350.14      3.65038     350.14      
1 1 1 7  19 20 o 72.0469 2.83891 9.50339      1.05379   9.83913      1.0581    60.3475     206.663     2.50119     26.6628     
1 1 1 7  19 21 o 46.9268 2.6331  4.60167      0.676824  3.64908      0.594073  42.9328     267.908     11.0535     267.908     
1 1 1 7  19 22 o 40.1776 2.62217 2.94636      0.541547  3.10161      0.537903  28.0628     9.58522     7.78167     189.585     
1 1 1 7  19 23 o 35.4998 2.81428 2.61228      0.51186   2.15385      0.502492  22.7143     318.573     10.0602     138.573     
1 1 1 7  19 24 o 65.7125 2.47126 8.54818      0.816193  7.57359      0.855729  64.7453     257.162     18.9029     257.162     
1 1 1 7  19 25 o 48.0257 2.72051 4.62666      0.668832  4.05841      0.671625  44.3841     36.3449     10.0605     36.3449     
1 1 1 7  19 26 o 25.874  3.37139 1.32978      0.441749  1.28007      0.429319  18.8355     284.856     3.79845     284.856     
1 1 1 7  19 27 o 58.2376 2.50426 6.3044       0.754481  6.42846      0.750233  54.5308     232.668     11.3826     232.668     
1 1 1 7  19 28 o 34.298  2.98249 2.25544      0.524026  2.25288      0.514104  24.6612     341.003     5.99515     161.003     
1 1 1 7  19 29 o 72.0934 2.42587 11.7309      0.914861  7.9524       0.873689  51.2812     148.443     19.677      328.443     
1 1 1 7  19 30 o 15.4332 3.82694 0.319401     0.390596  0.508353     0.374781  5.24148     136.766     2.51217     316.766     
1 1 1 7  19 31 o 58.9255 2.65274 7.63604      0.840991  5.59739      0.765808  55.6161     98.4972     13.008      98.4972     
1 1 1 7  19 32 o 6.9395  2.42876 -0.518983    0.298075  -1.10448     0.371643  2.93314     283.866     8.01491     283.866     
1 1 1 7  19 33 o 51.7983 3.13821 5.48625      0.840175  4.91497      0.827264  52.8614     60.1213     20.9932     60.1213     
1 1 1 7  19 34 o 30.4459 3.47525 2.11779      0.531956  1.59155      0.521258  17.9431     256.545     12.4523     76.5447     
1 1 1 7  19 35 o 31.828  3.37841 2.00765      0.545523  2.02392      0.534713  29.6905     140.379     10.5636     140.379     
1 1 1 7  19 36 o 47.9556 2.82676 3.87455      0.683066  5.06854      0.700581  38.8504     333.316     0.122516    153.315     
1 1 1 7  19 37 o 18.5435 4.28243 0.865224     0.487     0.548682     0.471714  9.90604     146.7       3.87068     146.7       
1 1 1 7  19 38 o 32.498  4.0848  2.36977      0.686674  2.08518      0.639466  25.6467     324.862     0.600488    324.862     
1 1 1 7  19 39 o 18.601  4.44439 0.955032     0.526614  0.500728     0.516809  12.2343     35.5051     0.673171    35.5051     
1 1 1 7  19 40 o 18.8504 4.04426 0.230658     0.48044   1.23745      0.488962  11.3964     191.63      3.4909      11.6296     
1 1 1 7  19 41 f 24.9679 4.06403 2.34923      0.613178  0.569445     0.515223  16.3982     100.077     0           0           
1 1 1 7  19 42 o 41.5356 3.52732 3.34559      0.738681  3.94948      0.744194  39.4027     58.193      14.2346     58.193      
1 1 1 7  19 43 o 17.2454 4.41102 0.683051     0.512352  0.660702     0.500665  7.94345     228.508     2.2932      228.508     
1 1 1 7  19 44 o 19.7405 4.60114 1.1528       0.543551  0.750344     0.57555   7.66324     345.042     12.4733     165.042     
1 1 1 7  19 45 o 15.9255 4.52393 0.861899     0.608843  0.110475     0.588123  4.00483     121.435     12.8858     301.435     
1 1 1 7  19 46 o 15.8588 4.3586  0.8315       0.539586  0.244638     0.531082  6.78625     195.418     3.89936     15.4181     
1 1 1 7  19 47 o 18.8906 4.44394 1.35323      0.562721  0.434318     0.543978  7.6902      159.671     9.34504     339.671     
1 1 1 7  19 48 o 19.5201 4.80327 0.935684     0.630345  1.12713      0.574114  10.8503     188.521     1.48162     188.521     
1 1 1 7  19 49 o 22.6216 4.73407 0.731934     0.612453  2.14169      0.690363  15.4814     19.8023     1.77728     19.8024     
1 1 1 7  19 50 o 12.7615 4.00132 -0.406423    0.544181  0.539155     0.569014  1.87374     283.234     9.2666      103.234     
1 1 1 7  19 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  20 0  o 40.3642 3.10204 3.10166      0.62962   3.10166      0.62962   22.9468     270         16.4943     90          
1 1 1 7  20 1  o 58.5053 2.77036 6.6334       0.832931  6.05584      0.836123  30.8017     263.447     34.4698     83.4472     
1 1 1 7  20 2  o 58.8799 2.84863 6.58712      0.884513  6.26821      0.844     47.361      168.878     2.13684     168.878     
1 1 1 7  20 3  o 80.5496 2.76399 11.9695      1.17934   12.0238      1.12097   78.0611     224.856     21.558      224.856     
1 1 1 7  20 4  f 171.07  2.67795 56.011       2.46483   51.9685      2.28538   127.148     289.3       0           0           
1 1 1 7  20 5  o 114.212 2.79541 22.5091      1.63419   25.7494      1.66708   109.642     172.218     20.5211     172.218     
1 1 1 7  20 6  o 37.4334 3.55394 2.71117      0.661326  2.57521      0.681769  18.4346     217.311     3.2673      37.3108     
1 1 1 7  20 7  o 103.594 2.78386 18.7921      1.47526   20.9209      1.50737   113.773     200.18      49.5428     200.18      
1 1 1 7  20 8  f 90.835  2.8616  15.6952      1.33537   14.8602      1.35134   73.5994     196.722     0           0           
1 1 1 7  20 9  f 139.087 2.81006 36.2061      2.01559   35.3461      2.03173   101.748     204.759     0           0           
1 1 1 7  20 10 o 88.0721 2.88124 13.7508      1.29519   15.0151      1.32771   73.8273     139.02      4.75055     319.02      
1 1 1 7  20 11 o 60.3753 3.39429 6.70931      1.08472   6.91482      1.01988   41.4905     315.729     19.2349     135.728     
1 1 1 7  20 12 o 66.1419 3.33277 7.59531      1.17368   8.76122      1.08245   66.9014     131.38      22.4387     131.38      
1 1 1 7  20 13 o 34.3182 3.71516 2.17276      0.646449  2.31955      0.632174  15.7764     17.5622     21.7508     197.562     
1 1 1 7  20 14 o 115.369 2.6235  24.6198      1.56352   24.6912      1.57025   95.357      165.629     11.1067     345.629     
1 1 1 7  20 15 o 97.1806 2.68282 17.9629      1.34794   17.0856      1.34908   100.926     61.8987     33.9075     61.8987     
1 1 1 7  20 16 o 39.5198 3.54434 4.02976      0.685893  2.0595       0.668429  25.9969     142.606     10.4839     322.606     
1 1 1 7  20 17 o 178.698 2.77776 58.3386      2.43718   60.2915      2.70556   164.832     125.275     16.9085     125.275     
1 1 1 7  20 18 o 33.6258 4.21622 2.44365      0.706234  1.96415      0.706008  12.9453     307.03      26.6507     127.03      
1 1 1 7  20 19 o 81.0097 2.77275 12.9296      1.16188   11.5719      1.15727   70.597      66.1646     2.63505     66.1646     
1 1 1 7  20 20 o 83.8538 2.76927 13.16        1.19538   13.1007      1.20533   81.5824     93.9958     20.0447     93.9958     
1 1 1 7  20 21 o 61.4333 2.96299 7.91995      0.940132  6.31154      0.92707   51.0527     6.72249     1.31755     186.723     
1 1 1 7  20 22 o 54.7006 3.06588 5.71294      0.857167  5.59292      0.867015  43.9054     34.8004     3.65842     214.8       
1 1 1 7  20 23 o 121.571 2.60054 30.5375      1.55032   24.872       1.69132   111.17      15.1904     13.2817     15.1904     
1 1 1 7  20 24 o 32.6112 3.12692 2.25865      0.517892  1.83577      0.50787   17.5679     74.7747     17.2871     254.775     
1 1 1 7  20 25 o 62.6234 2.44207 6.67806      0.784141  8.06269      0.790031  50.9183     3.27792     3.81535     183.278     
1 1 1 7  20 26 o 25.5727 3.4699  1.01082      0.446769  1.58744      0.434506  14.1564     76.2305     11.1202     256.231     
1 1 1 7  20 27 o 14.9499 3.41869 0.747497     0.365194  -0.0365722   0.329769  3.61337     66.4341     10.4733     246.434     
1 1 1 7  20 28 f 59.8222 2.51465 7.09463      0.78019   6.40211      0.771105  45.6414     141.553     0           0           
1 1 1 7  20 29 o 45.7765 2.70122 4.15701      0.637869  3.81698      0.631637  45.4131     163.383     16.0319     163.383     
1 1 1 7  20 30 o 23.0469 3.80979 1.03478      0.451496  1.11831      0.442719  15.3217     287.011     3.27024     107.011     
1 1 1 7  20 31 o 46.2317 3.11734 4.22012      0.749113  4.06564      0.726988  37.9274     65.376      0.229999    65.3762     
1 1 1 7  20 32 o 12.5734 3.69617 0.121053     0.401053  0.115174     0.393603  1.43971     18.2695     7.62869     198.27      
1 1 1 7  20 33 o 32.2316 3.71081 2.49986      0.558577  1.71869      0.612449  25.7421     158.97      1.11088     158.97      
1 1 1 7  20 34 o 46.8365 3.13803 4.58663      0.746381  4.01593      0.75503   46.8617     345.692     18.6536     345.692     
1 1 1 7  20 35 o 34.7371 3.35841 1.84915      0.567662  3.03814      0.57776   25.1983     219.865     4.59177     39.8651     
1 1 1 7  20 36 o 19.8969 4.15237 1.20982      0.502825  0.46751      0.462215  14.2011     155.262     5.72826     155.262     
1 1 1 7  20 37 o 25.7769 4.54646 1.62137      0.638815  1.33084      0.573381  23.0224     75.4645     9.09391     75.4645     
1 1 1 7  20 38 o 11.0233 3.43939 0.175125     0.409897  -0.377948    0.391453  1.10497     41.6949     8.16886     221.695     
1 1 1 7  20 39 o 23.2135 4.50699 1.36196      0.592308  1.1187       0.526213  18.4881     155.119     3.69003     155.119     
1 1 1 7  20 40 o 30.6919 4.32267 2.46685      0.608302  1.78454      0.70866   26.1399     231.191     5.90674     231.191     
1 1 1 7  20 41 o 48.2371 3.07869 5.07499      0.7645    4.48818      0.756156  47.3758     314.528     19.5182     314.528     
1 1 1 7  20 42 o 21.0145 4.52276 1.00679      0.53857   1.13185      0.536672  11.2791     38.9193     6.81775     218.919     
1 1 1 7  20 43 o 24.0567 4.41343 1.56591      0.565427  1.23678      0.549601  19.9447     80.7983     7.7187      80.7983     
1 1 1 7  20 44 o 20.5358 4.54629 1.77374      0.636815  0.274823     0.625585  12.3622     350.561     3.19314     170.561     
1 1 1 7  20 45 o 13.6578 4.14721 0.333939     0.542666  0.192883     0.513006  1.18098     232.809     13.549      52.8091     
1 1 1 7  20 46 f 11.6959 3.73289 0.118953     0.479291  -0.144292    0.489504  3.29599     318.345     0           0           
1 1 1 7  20 47 o 12.0211 3.82953 -0.209053    0.507096  0.2155       0.513921  0.2602      76.139      9.58809     256.139     
1 1 1 7  20 48 o 14.4644 4.28711 -0.197781    0.583607  0.821483     0.590489  4.1154      44.3322     6.3448      224.332     
1 1 1 7  20 49 o 14.6306 4.10919 -0.544109    0.550146  1.04612      0.569829  5.03594     85.2254     5.79994     265.225     
1 1 1 7  20 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  21 0  o 52.0862 3.35783 5.12776      0.888371  5.12776      0.888371  36.0899     270         20.2143     90          
1 1 1 7  21 1  o 53.1306 2.8707  5.4289       0.776425  5.08406      0.791472  36.6739     11.4756     15.6027     191.476     
1 1 1 7  21 2  o 62.8552 2.74642 7.46951      0.881784  7.20164      0.898471  39.4471     30.0335     28.6645     210.033     
1 1 1 7  21 3  o 53.8087 2.87082 5.70266      0.793924  5.08695      0.793559  42.0527     230.452     5.63835     50.4516     
1 1 1 7  21 4  o 81.7413 2.66175 12.0506      1.1202    12.7162      1.12897   95.4979     259.942     52.267      259.942     
1 1 1 7  21 5  o 114.032 2.59253 25.2714      1.53359   22.8848      1.52479   101.607     232.426     3.89798     232.426     
1 1 1 7  21 6  o 65.4741 2.79723 8.33999      0.951391  7.60166      0.937446  63.5133     100.774     16.7802     100.774     
1 1 1 7  21 7  o 42.9913 3.10094 3.00015      0.669211  3.96574      0.683398  38.9072     288.304     12.3094     288.304     
1 1 1 7  21 8  o 81.9482 2.69581 11.644       1.13522   13.304       1.14546   84.7574     250.575     29.3597     250.575     
1 1 1 7  21 9  o 26.6716 4.02311 1.86286      0.544939  0.94335      0.543653  11.5795     156.355     3.32137     336.355     
1 1 1 7  21 10 o 102.523 2.6401  19.2236      1.39422   19.7691      1.40712   93.8449     95.4724     9.94833     95.4724     
1 1 1 7  21 11 o 77.8011 3.08728 10.1359      1.22133   12.522       1.25071   47.7844     247.768     38.5037     67.7676     
1 1 1 7  21 12 o 73.6167 3.10931 10.129       1.17414   10.13        1.18802   71.3411     27.2046     17.895      27.2046     
1 1 1 7  21 13 o 48.0008 3.06211 4.38377      0.74753   4.26922      0.759542  36.0483     286.319     6.32736     106.319     
1 1 1 7  21 14 o 35.7809 3.54219 2.88306      0.623925  2.04179      0.634434  22.8912     54.8271     8.88633     234.827     
1 1 1 7  21 15 o 113.647 2.65463 24.1111      1.55576   23.9529      1.56755   127.124     206.598     58.8246     206.598     
1 1 1 7  21 16 f 37.5208 3.41974 2.40475      0.633166  2.98006      0.662258  26.7459     261.693     0           0           
1 1 1 7  21 17 o 88.2758 2.90069 14.4863      1.23878   14.6915      1.40405   90.7248     123.047     31.0129     123.047     
1 1 1 7  21 18 o 36.2254 4.17321 3.45187      0.741482  1.79782      0.728536  32.5936     144.338     12.0604     144.338     
1 1 1 7  21 19 o 29.4018 4.09455 1.97069      0.587958  1.45532      0.612611  13.522      56.6536     18.4239     236.654     
1 1 1 7  21 20 o 49.4412 3.14535 4.83724      0.796332  4.45114      0.797323  37.3153     113.77      7.60209     293.77      
1 1 1 7  21 21 o 51.0392 3.13734 4.359        0.798357  5.58878      0.83911   49.8198     122.469     15.5435     122.469     
1 1 1 7  21 22 o 55.7945 3.43384 6.88714      0.976466  5.1163       0.970885  36.0066     183.407     21.7797     3.4073      
1 1 1 7  21 23 o 25.9238 4.60903 1.94214      0.642893  0.80753      0.656385  6.76904     230.778     27.3721     50.7784     
1 1 1 7  21 24 o 54.5055 2.98489 5.73233      0.772327  5.57075      0.893558  51.9361     185.532     13.2124     185.532     
1 1 1 7  21 25 o 49.6138 2.55985 4.92533      0.663048  4.37632      0.643731  44.3874     333.579     6.55077     333.579     
1 1 1 7  21 26 o 44.7722 2.69192 4.07949      0.62232   3.54307      0.613262  40.2673     97.0562     7.11258     97.0562     
1 1 1 7  21 27 o 18.3652 3.86025 0.716937     0.403349  0.628408     0.385957  10.4336     171.186     0.371143    171.186     
1 1 1 7  21 28 o 16.7989 3.84376 0.406369     0.401297  0.669164     0.377457  7.6285      264.874     0.756495    84.8738     
1 1 1 7  21 29 o 15.1066 3.65313 0.0324881    0.381163  0.691383     0.380054  4.43119     102.561     8.98552     282.561     
1 1 1 7  21 30 o 14.2757 3.87822 0.457228     0.44168   0.143762     0.374612  3.84309     288.048     5.85144     108.048     
1 1 1 7  21 31 o 57.6818 2.89302 5.92338      0.839134  6.944        0.877937  57.8965     111.7       21.9055     111.7       
1 1 1 7  21 32 o 23.0741 4.01118 1.48049      0.512857  0.770858     0.460468  15.7868     5.73607     1.72031     185.736     
1 1 1 7  21 33 f 21.0345 4.15699 0.781702     0.497312  1.0798       0.457224  14.2783     121.668     0           0           
1 1 1 7  21 34 o 29.3722 3.92801 1.71768      0.528962  1.88888      0.622871  20.2322     332.607     4.98187     152.607     
1 1 1 7  21 35 o 61.3797 3.12739 6.67098      0.943728  8.33772      1.03116   53.0319     79.3096     6.93471     79.3096     
1 1 1 7  21 36 o 26.446  4.17716 1.19984      0.559364  1.86961      0.565835  22.1233     0.132536    5.02002     0.132536    
1 1 1 7  21 37 o 13.2866 3.89322 -0.212432    0.481248  0.444584     0.456799  3.5143      61.5218     0.432886    241.522     
1 1 1 7  21 38 o 19.0039 4.38399 0.964047     0.503823  0.662852     0.500124  13.5495     182.917     5.02497     182.917     
1 1 1 7  21 39 o 18.6309 4.38091 0.881777     0.505019  0.709064     0.486854  12.1599     201.741     3.03382     201.741     
1 1 1 7  21 40 o 15.2257 4.14244 0.857698     0.537938  -0.0745612   0.465357  5.39891     104.762     6.75454     284.762     
1 1 1 7  21 41 o 15.4547 4.33317 0.521757     0.493678  0.427978     0.54432   6.46981     213.427     3.13665     33.4268     
1 1 1 7  21 42 o 19.9305 4.55754 1.15381      0.538691  0.826558     0.550344  13.6188     281.025     5.57144     281.025     
1 1 1 7  21 43 o 31.6293 4.2405  2.49184      0.664754  2.26627      0.673951  29.283      17.4475     13.1771     17.4475     
1 1 1 7  21 44 o 15.1081 4.27549 -0.0264695   0.539396  0.841738     0.555148  0.912231    233.413     0.0939348   53.4134     
1 1 1 7  21 45 o 13.768  4.1611  0.0480819    0.557853  0.468165     0.522212  1.94995     84.3873     2.43007     264.387     
1 1 1 7  21 46 o 19.9128 4.5089  1.57998      0.590803  0.497207     0.573366  8.99172     318.026     8.21054     138.026     
1 1 1 7  21 47 o 9.75529 3.32221 -0.977254    0.523918  -0.141559    0.499474  0.392824    336.332     4.89757     336.332     
1 1 1 7  21 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  22 0  o 15.2276 5.91347 0.614901     0.672167  0.614901     0.672167  8.01242     270         30.604      270         
1 1 1 7  22 1  o 115.435 2.86123 25.9316      1.70409   23.6705      1.71158   98.1494     189.689     3.86064     9.6891      
1 1 1 7  22 2  o 141.203 3.01913 39.5598      1.89979   34.7652      2.43689   143.574     70.0772     41.8363     70.0772     
1 1 1 7  22 3  o 19.0172 4.3609  0.718752     0.433955  0.59182      0.560798  8.81497     292.038     42.1745     292.038     
1 1 1 7  22 4  o 61.6526 2.83964 7.74344      0.901049  6.46988      0.898298  54.8521     89.3017     6.68549     89.3017     
1 1 1 7  22 5  o 53.171  2.89155 5.33849      0.788406  5.23708      0.793157  29.3631     194.987     30.3762     14.9871     
1 1 1 7  22 6  o 24.2838 4.15536 0.531461     0.591912  1.75085      0.522257  8.28918     313.573     9.44669     133.573     
1 1 1 7  22 7  o 47.8803 3.75298 4.04333      1.01682   4.68508      0.762375  28.7242     253.491     21.4307     73.491      
1 1 1 7  22 8  o 26.1692 4.62208 1.81928      0.739878  0.951674     0.525676  0.122566    284.304     38.7267     104.303     
1 1 1 7  22 9  o 57.7183 2.85085 6.11011      0.84642   6.35789      0.848499  53.8761     53.1258     12.4945     53.1258     
1 1 1 7  22 10 o 37.5691 3.35285 2.8423       0.636389  2.53363      0.638181  25.9208     1.35816     6.65994     181.358     
1 1 1 7  22 11 o 35.2986 4.02654 2.06055      0.68598   2.80023      0.731965  30.0909     91.0504     14.087      91.0504     
1 1 1 7  22 12 o 57.9053 3.08175 7.20973      0.985626  5.47351      0.851141  43.7618     195.929     9.44256     15.9286     
1 1 1 7  22 13 o 105.915 2.67199 20.9016      1.45617   20.9801      1.47306   109.993     8.10268     38.7319     8.10268     
1 1 1 7  22 14 o 49.7104 3.08149 4.40723      0.773136  4.94512      0.797982  36.3605     73.1991     9.64724     253.199     
1 1 1 7  22 15 o 64.4476 2.90136 7.7581       0.959333  7.87372      0.969127  62.6239     32.3876     17.2831     32.3876     
1 1 1 7  22 16 o 31.0784 3.84628 2.03123      0.585845  1.7572       0.605461  22.8214     62.4588     1.60101     242.459     
1 1 1 7  22 17 f 42.8782 3.66101 3.51062      0.793838  3.59431      0.800637  49.3345     74.7116     0           0           
1 1 1 7  22 18 o 58.725  3.15291 6.42269      0.995704  6.69625      0.904155  62.9239     298.878     28.6172     298.878     
1 1 1 7  22 19 o 58.0798 3.04519 7.04514      0.90242   5.80605      0.909788  43.8427     195.933     9.71068     15.9332     
1 1 1 7  22 20 o 64.3198 3.15722 8.64739      0.993457  7.15256      1.07896   49.5198     250.12      9.12022     70.1197     
1 1 1 7  22 21 o 98.3454 3.05442 18.5106      1.53562   18.208       1.57033   88.6502     266.389     10.8634     266.389     
1 1 1 7  22 22 o 80.0931 2.99316 13.6518      1.29448   10.8065      1.17983   66.1535     231.847     2.56154     51.8475     
1 1 1 7  22 23 o 16.3011 3.92326 0.974102     0.501339  -0.414407    0.484904  3.90274     27.1703     14.1106     207.17      
1 1 1 7  22 24 o 19.2262 4.53802 0.899106     0.540624  0.519838     0.538953  10.0736     40.9066     5.56782     220.907     
1 1 1 7  22 25 o 44.8878 3.45033 4.07178      0.784151  3.79927      0.794166  32.9836     121.476     7.5082      301.476     
1 1 1 7  22 26 o 13.2692 3.90477 0.237156     0.385024  -0.050524    0.52697   1.99831     99.5611     8.64708     279.561     
1 1 1 7  22 27 o 56.0843 2.75952 6.49252      0.878746  5.56898      0.715955  58.0957     218.345     24.7948     218.345     
1 1 1 7  22 28 o 96.961  2.48262 19.1056      1.29441   16.6276      1.19736   91.9795     146.463     23.5136     146.463     
1 1 1 7  22 29 o 69.664  2.68367 8.56687      0.938769  10.0606      0.990744  67.5222     311.755     21.0457     311.755     
1 1 1 7  22 30 o 51.5588 2.99968 5.13468      0.787919  5.2156       0.801309  36.9001     124.345     9.86804     304.345     
1 1 1 7  22 31 o 14.3866 3.94463 0.343826     0.416259  0.289831     0.424743  4.38764     215.582     7.25397     35.5819     
1 1 1 7  22 32 o 68.485  2.58403 9.55886      0.923077  8.54716      0.903602  54.721      195.151     1.77328     15.1508     
1 1 1 7  22 33 o 40.6914 3.08036 3.47662      0.646863  3.12213      0.631449  36.5505     117.45      8.86465     117.45      
1 1 1 7  22 34 o 28.3194 3.81193 2.76953      0.556277  0.818636     0.528445  28.7688     38.5698     22.0788     38.5698     
1 1 1 7  22 35 o 22.0862 4.1771  0.480291     0.496652  1.7344       0.570816  14.1806     131.703     3.94537     311.703     
1 1 1 7  22 36 o 16.4865 4.51114 0.81855      0.593293  0.192499     0.540258  9.26409     210.009     0.218594    30.0089     
1 1 1 7  22 37 o 12.2464 3.78127 0.0162471    0.467269  0.0976538    0.441559  2.52993     167.283     4.5742      347.283     
1 1 1 7  22 38 o 11.5642 3.62634 -0.263819    0.448566  0.175133     0.439521  0.169       324.009     0.387996    144.009     
1 1 1 7  22 39 o 27.7676 4.1489  1.72774      0.588058  1.81953      0.568773  21.8946     1.54134     3.50089     1.54134     
1 1 1 7  22 40 o 15.9371 4.34691 0.685274     0.519679  0.403926     0.506477  7.15433     63.6897     3.67537     243.69      
1 1 1 7  22 41 o 14.8498 3.97692 -0.44275     0.543955  0.909566     0.492353  5.85203     30.3624     2.2441      210.362     
1 1 1 7  22 42 o 13.0062 4.07023 0.110027     0.517908  0.161191     0.565412  2.11979     3.27687     6.82938     183.277     
1 1 1 7  22 43 o 15.351  4.34221 0.20372      0.526375  0.777946     0.554482  4.04023     169.936     2.11413     349.936     
1 1 1 7  22 44 o 20.0209 4.86437 0.790857     0.624689  1.40925      0.634784  11.8177     18.6925     1.35413     18.6925     
1 1 1 7  22 45 o 13.7532 4.21652 0.481739     0.595828  0.116025     0.517442  2.42975     7.38387     9.71029     187.384     
1 1 1 7  22 46 o 8.81732 3.08402 -0.35877     0.542246  -1.0759      0.421454  0.360348    312.588     2.40156     312.588     
1 1 1 7  22 47 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  23 0  f 130.332 3.37197 31.6618      2.27114   31.6618      2.27114   94.4762     270         0           0           
1 1 1 7  23 1  o 14.9455 3.78575 0.17237      0.412138  0.498971     0.359924  1.43696     241.793     10.3547     241.793     
1 1 1 7  23 2  f 51.2483 2.93833 5.88537      0.764705  4.07576      0.761052  31.8766     251.644     0           0           
1 1 1 7  23 3  o 56.6186 2.83335 5.78344      0.820185  6.24969      0.831574  38.8822     347.325     17.0327     167.325     
1 1 1 7  23 4  f 68.7927 2.72984 9.42663      0.975811  8.29914      0.961004  55.8509     38.3996     0           0           
1 1 1 7  23 5  o 92.9584 2.67476 17.1288      1.2858    15.1788      1.28296   96.3064     335.898     34.5275     335.898     
1 1 1 7  23 6  o 57.3702 2.92569 7.32234      0.867144  5.15306      0.843152  37.6706     271.155     20.9505     91.1554     
1 1 1 7  23 7  f 14.3146 3.97271 0.255758     0.426238  0.235766     0.434509  7.02813     184.077     0           0           
1 1 1 7  23 8  o 40.8661 3.29009 3.18837      0.684751  3.18203      0.684351  38.7361     96.5449     13.6524     96.5449     
1 1 1 7  23 9  o 61.8023 2.83263 7.54004      0.904743  6.83158      0.898852  54.3295     309.907     5.15402     309.907     
1 1 1 7  23 10 o 41.3109 3.6756  2.79587      0.790492  3.82215      0.710744  29.4377     196.115     8.31344     16.1151     
1 1 1 7  23 11 o 63.3055 3.54028 7.51008      1.04991   7.80858      1.24811   70.6791     27.7055     36.5679     27.7055     
1 1 1 7  23 12 o 21.5977 4.38948 1.23774      0.506583  0.558292     0.586826  4.26693     207.366     23.043      27.3659     
1 1 1 7  23 13 o 37.496  4.62135 4.36359      0.702045  1.50821      0.904288  39.8621     108.196     26.4293     108.196     
1 1 1 7  23 14 f 22.3311 4.56254 0.808941     0.507827  1.21266      0.612941  22.3845     322.631     0           0           
1 1 1 7  23 15 o 78.7951 3.01833 11.9033      1.14937   11.637       1.29959   59.2935     196.879     14.5857     16.8792     
1 1 1 7  23 16 o 50.1331 3.5466  3.48507      0.759674  6.44882      1.06019   42.0108     323.816     1.07089     323.816     
1 1 1 7  23 17 o 36.4349 4.22509 3.29246      0.763587  2.05606      0.752115  27.1734     285.451     4.47809     105.451     
1 1 1 7  23 18 o 15.7361 4.1015  -0.335083    0.529136  0.771299     0.498779  3.57827     5.03233     13.0751     185.032     
1 1 1 7  23 19 o 17.1581 4.65859 0.428779     0.598844  0.459005     0.565374  3.89149     266.887     0.579255    266.887     
1 1 1 7  23 20 o 39.2178 5.01518 3.00947      1.13347   3.33519      0.787195  30.0913     246.152     3.1221      66.152      
1 1 1 7  23 21 o 16.4641 4.88422 0.257424     0.899019  0.224677     0.499774  3.10502     139.65      0.019983    139.65      
1 1 1 7  23 22 o 78.6669 3.74848 11.1712      1.70542   13.094       1.22741   74.3654     157.829     18.1053     157.829     
1 1 1 7  23 23 f 13.2972 4.004   -0.547449    0.562558  0.341591     0.495429  12.1936     212.956     0           0           
1 1 1 7  23 24 o 49.3733 3.66694 4.76555      0.932622  4.87677      0.915843  40.8264     24.6473     1.33727     24.6473     
1 1 1 7  23 25 o 52.6486 3.4436  4.96984      0.864159  5.94804      0.995653  48.1835     275.977     10.9333     275.977     
1 1 1 7  23 26 o 32.0729 4.52234 2.37201      0.680028  1.95507      0.765899  24.3764     231.999     0.950511    51.9992     
1 1 1 7  23 27 o 11.6788 3.77341 -0.522538    0.520805  -0.0566674   0.516474  1.96156     145.739     16.7347     145.739     
1 1 1 7  23 28 o 37.5659 3.30027 3.2858       0.591438  2.34748      0.635612  30.9609     279.267     2.66129     279.267     
1 1 1 7  23 29 o 37.0712 3.30686 2.24935      0.628657  3.27854      0.574455  32.1706     296.644     6.18853     296.644     
1 1 1 7  23 30 o 10.8067 3.3736  -0.220736    0.412774  0.0591099    0.344056  0.538527    352.096     2.11431     172.096     
1 1 1 7  23 31 o 24.0537 3.97677 1.22789      0.488465  1.24915      0.485405  14.1414     249.267     7.86448     69.2666     
1 1 1 7  23 32 o 18.5938 4.18526 0.668297     0.470579  0.821424     0.443325  7.84356     291.368     10.9427     111.368     
1 1 1 7  23 33 o 16.2175 4.14316 0.56602      0.462278  0.503808     0.431089  8.71977     74.4053     2.93935     254.405     
1 1 1 7  23 34 o 14.862  4.10793 0.477324     0.470093  0.297391     0.450662  5.93199     28.1822     6.21358     208.182     
1 1 1 7  23 35 o 22.635  4.4973  1.06248      0.562685  1.34037      0.544559  18.2156     111.065     6.64045     111.065     
1 1 1 7  23 36 o 13.6941 3.94375 -0.220152    0.501215  0.565081     0.464641  2.04166     12.943      12.0966     192.943     
1 1 1 7  23 37 o 20.3658 4.87394 1.0257       0.612413  1.05998      0.611664  11.3883     53.1337     4.64385     233.134     
1 1 1 7  23 38 o 10.3333 3.39122 -0.427649    0.460298  -0.0612224   0.425205  0.221849    279.21      4.73158     99.2103     
1 1 1 7  23 39 o 12.1653 3.80782 -0.011986    0.482069  0.132752     0.470358  1.2399      194.128     1.46101     14.1285     
1 1 1 7  23 40 o 24.4674 4.56423 1.73022      0.597936  1.30395      0.585718  18.6671     237.521     4.78595     237.521     
1 1 1 7  23 41 o 12.3196 3.90805 0.149195     0.537175  -0.0472344   0.498316  0.912022    231.643     5.29795     51.643      
1 1 1 7  23 42 o 9.7519  3.30391 -0.3244      0.509433  -0.488878    0.436738  0.888629    21.0701     5.26116     21.0701     
1 1 1 7  23 43 o 26.241  4.80975 2.3538       0.639787  1.39653      0.768398  20.5274     339.497     6.0584      339.497     
1 1 1 7  23 44 o 18.313  4.86746 1.09205      0.64148   0.820495     0.617822  9.41803     247.862     2.99852     247.862     
1 1 1 7  23 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  24 0  o 147.877 3.40306 40.9279      2.6023    40.9279      2.6023    134.198     90          15.0355     90          
1 1 1 7  24 1  o 54.0112 3.59791 5.85984      1.09607   5.35852      0.890292  41.8671     266.967     6.08298     86.9672     
1 1 1 7  24 2  o 88.9779 2.66853 15.9127      1.21901   13.8423      1.23121   75.4237     133.515     0.0832912   133.515     
1 1 1 7  24 3  o 106.6   2.6293  21.6479      1.44609   20.9714      1.45477   106.231     232.201     31.5657     232.201     
1 1 1 7  24 4  o 34.429  3.47321 1.94507      0.589256  2.67428      0.603953  31.2932     328.15      9.76968     328.15      
1 1 1 7  24 5  o 53.6976 2.94415 5.59184      0.809846  5.33663      0.81578   54.4775     215.425     20.6925     215.425     
1 1 1 7  24 6  o 35.4822 3.50155 2.3213       0.623848  2.56352      0.627887  24.9749     210.914     6.8436      30.9138     
1 1 1 7  24 7  o 31.4522 3.82387 2.1095       0.602216  1.79224      0.59778   29.1428     71.9727     12.0434     71.9727     
1 1 1 7  24 8  o 11.2366 3.51028 -0.0541711   0.382201  -0.141752    0.422198  7.10645     117.402     26.3513     117.402     
1 1 1 7  24 9  o 45.2497 3.14294 4.16476      0.724322  3.67197      0.727975  43.5613     174.432     13.5979     174.432     
1 1 1 7  24 10 o 73.5178 3.06211 9.4281       1.20513   11.1306      1.09869   66.6006     300.488     9.83561     300.488     
1 1 1 7  24 11 o 29.7395 4.46267 1.00115      0.666661  2.69296      0.700935  16.6928     159.976     13.6812     339.976     
1 1 1 7  24 12 o 56.8025 3.0009  5.67562      0.863558  6.61478      0.888324  41.8974     115.21      10.9274     295.21      
1 1 1 7  24 13 o 11.7747 3.68959 -0.346013    0.489444  0.0342775    0.425535  1.47633     140.566     14.8157     140.566     
1 1 1 7  24 14 o 14.0592 4.01128 0.124007     0.433085  0.285166     0.470466  1.14022     74.125      14.6002     254.125     
1 1 1 7  24 15 o 23.2637 4.27619 1.58204      0.544003  0.608916     0.560561  18.2197     168.52      5.26808     168.52      
1 1 1 7  24 16 o 15.1765 4.32911 0.35384      0.529008  0.146643     0.526453  1.46613     341.178     16.8729     161.178     
1 1 1 7  24 17 o 63.4519 3.49159 7.46568      1.22806   8.16408      1.0253    57.7558     102.964     10.6657     102.964     
1 1 1 7  24 18 o 26.2014 4.94021 1.12401      0.659926  1.79201      0.723337  18.0708     351.081     3.14884     171.081     
1 1 1 7  24 19 o 11.1387 3.58493 0.0330842    0.466483  -0.787703    0.498565  1.52945     44.6325     13.1295     44.6325     
1 1 1 7  24 20 o 68.7468 3.17869 8.17084      1.0671    10.1616      1.18553   63.5492     284.146     14.0168     284.146     
1 1 1 7  24 21 o 57.8568 3.14817 6.33653      0.926129  6.63866      0.947654  53.2421     243.204     12.1556     243.204     
1 1 1 7  24 22 o 36.5094 3.9615  3.14297      0.717931  2.2839       0.717646  28.8334     45.2232     0.0294558   45.2204     
1 1 1 7  24 23 o 56.9775 3.22426 6.52921      0.940184  6.15915      0.947442  54.1249     165.295     16.0478     165.295     
1 1 1 7  24 24 o 46.53   3.54459 3.8523       0.822456  4.7866       0.85421   45.7262     25.8147     17.4869     25.8147     
1 1 1 7  24 25 o 29.4479 4.52645 2.51267      0.69352   1.25504      0.669852  14.2685     103.038     17.3143     283.038     
1 1 1 7  24 26 o 27.6398 4.8801  2.07224      0.695358  1.31505      0.724429  24.3644     47.9452     8.74048     47.9453     
1 1 1 7  24 27 o 50.7459 3.93377 4.42695      0.948337  6.25746      1.0801    45.8046     246.75      10.6811     246.75      
1 1 1 7  24 28 o 25.7743 4.71189 2.17881      0.673082  0.804508     0.699322  23.9947     2.1644      13.1478     2.1644      
1 1 1 7  24 29 o 44.2856 4.47456 4.58208      1.00811   3.94296      0.983915  44.6983     335.469     20.2934     335.469     
1 1 1 7  24 30 o 16.7202 4.19604 0.441628     0.409161  0.718608     0.504903  9.2531      78.2277     2.95705     78.2277     
1 1 1 7  24 31 o 30.3864 3.69479 1.8259       0.559183  2.09995      0.561161  25.5646     35.1834     5.04614     35.1834     
1 1 1 7  24 32 o 26.3576 3.99281 1.263        0.534225  1.81587      0.527241  22.0625     115.167     5.85689     115.167     
1 1 1 7  24 33 o 28.7267 3.90739 2.41907      0.569281  1.28134      0.546799  25.7943     218.691     10.0614     218.691     
1 1 1 7  24 34 o 29.874  3.92031 1.68597      0.589328  2.2905       0.573058  24.0314     123.467     4.14596     123.467     
1 1 1 7  24 35 o 16.1858 4.1321  -0.138089    0.548417  0.999519     0.502008  6.25915     134.155     7.51719     314.155     
1 1 1 7  24 36 o 17.4395 4.35288 1.11768      0.555611  0.266347     0.493281  8.50939     327.305     2.76745     327.305     
1 1 1 7  24 37 o 17.7311 4.25515 1.26606      0.549929  0.146351     0.505103  10.1843     94.7204     1.37862     94.7204     
1 1 1 7  24 38 o 35.9823 4.25945 3.6384       0.759747  2.52735      0.753105  31.092      15.8366     9.4379      15.8366     
1 1 1 7  24 39 o 32.2952 4.27573 3.3973       0.726405  1.73095      0.646248  28.8504     217.828     12.5452     217.828     
1 1 1 7  24 40 o 19.0421 4.68636 0.580636     0.609976  1.2884       0.589906  9.17579     264.89      4.54787     84.8897     
1 1 1 7  24 41 o 16.2435 4.31768 1.15689      0.585497  0.00238047   0.511795  6.62868     269.868     2.86827     89.8677     
1 1 1 7  24 42 o 12.4485 3.94502 0.0867394    0.53591   0.125551     0.516533  1.21328     0.846312    1.51005     180.846     
1 1 1 7  24 43 o ?       ?       ?            ?         ?            ?         10.0903     95.357      0           0           
1 1 1 7  25 0  o 48.0775 4.54388 4.60266      1.07578   4.60266      1.07578   43.6923     270         6.04809     270         
1 1 1 7  25 1  f 33.0072 5.30416 2.48513      0.886783  2.06826      0.889455  29.4373     202.831     0           0           
1 1 1 7  25 2  o 58.9902 3.0436  7.07777      0.990624  6.19091      0.858839  35.5383     46.8485     27.3187     226.848     
1 1 1 7  25 3  o 58.2313 2.91142 6.8059       0.874027  6.08062      0.87009   47.4387     140.807     1.83293     320.807     
1 1 1 7  25 4  o 37.1116 3.38687 3.1868       0.62692   2.1946       0.624185  33.3677     78.8512     7.48937     78.8512     
1 1 1 7  25 5  o 41.7908 3.29461 3.0879       0.685515  3.65822      0.715393  27.7617     280.601     12.8987     100.601     
1 1 1 7  25 6  o 48.1905 3.19144 4.64972      0.787476  4.26433      0.78703   45.656      316.297     12.6179     316.297     
1 1 1 7  25 7  o 46.4401 3.2027  4.27396      0.76187   4.01453      0.75986   40.2982     167.667     4.72566     167.667     
1 1 1 7  25 8  o 54.6018 3.10091 5.83751      0.875262  5.57411      0.865134  57.5177     289.561     25.7559     289.561     
1 1 1 7  25 9  o 14.867  3.81018 0.8044       0.484412  -0.503237    0.442704  3.65389     300.741     1.90631     120.741     
1 1 1 7  25 10 o 47.5736 3.80636 4.41894      1.03514   4.46728      0.780443  41.1968     234.281     4.87618     234.281     
1 1 1 7  25 11 o 32.1914 4.62856 1.26385      0.704755  3.16246      0.807984  27.6603     208.524     5.64343     208.524     
1 1 1 7  25 12 o 9.70467 3.19098 -0.174926    0.377235  -0.529604    0.413235  1.78666     289.995     8.95819     289.995     
1 1 1 7  25 13 o 53.5296 3.38256 6.47914      0.980413  4.72492      0.872288  45.5688     77.5491     3.58554     77.5491     
1 1 1 7  25 14 o 27.642  4.36756 1.49643      0.582059  1.66456      0.638318  17.2542     160.057     8.01689     340.057     
1 1 1 7  25 15 f 28.994  4.08807 1.51605      0.576531  1.92508      0.609659  14.2845     143.528     0           0           
1 1 1 7  25 16 o 16.9046 4.67881 0.418927     0.54137   0.43896      0.650269  6.93193     140.539     0.820355    320.539     
1 1 1 7  25 17 o 20.6253 4.62141 0.151176     0.640473  1.41322      0.620436  10.9417     303.455     6.89838     123.455     
1 1 1 7  25 18 o 29.6408 4.45054 1.83556      0.682176  1.83986      0.64302   17.9141     298.667     10.0932     118.667     
1 1 1 7  25 19 o 103.163 2.85943 21.6247      1.53012   19.3093      1.51874   92.5063     345.637     15.5801     345.637     
1 1 1 7  25 20 o 22.6485 4.69999 1.36136      0.59963   0.820841     0.601901  16.7859     325.482     3.63487     325.482     
1 1 1 7  25 21 f 26.5363 4.58083 1.64011      0.625382  1.3781       0.626246  16.6643     355.358     0           0           
1 1 1 7  25 22 o 22.5811 4.31656 1.86194      0.619058  0.26426      0.577139  10.4523     212.402     12.6343     32.4016     
1 1 1 7  25 23 o 49.8271 3.48084 5.14252      0.876421  4.81317      0.896056  42.9299     301.826     6.32453     301.826     
1 1 1 7  25 24 o 23.9281 4.06156 2.36295      0.640893  0.0446587    0.594914  15.1802     16.7217     5.12706     196.722     
1 1 1 7  25 25 o 19.3834 4.71483 0.37669      0.589566  1.17001      0.619386  11.3289     270.344     3.77716     90.3436     
1 1 1 7  25 26 o 9.59168 3.27323 -1.18702     0.493884  -0.309703    0.501505  0.161288    174.101     5.6542      174.101     
1 1 1 7  25 27 o 18.4719 4.71877 0.460702     0.581846  0.96826      0.604462  9.57888     274.025     6.22549     94.0247     
1 1 1 7  25 28 o 17.4434 4.63875 1.24611      0.706572  -0.188501    0.565439  10.4447     290.447     1.12978     110.447     
1 1 1 7  25 29 f 17.8101 5.19157 0.800508     0.84381   0.401828     0.70476   3.43586     107.522     0           0           
1 1 1 7  25 30 o 21.8825 4.39671 1.98317      0.643148  0.0736252    0.657887  14.4623     236.185     9.38924     236.185     
1 1 1 7  25 31 o 29.7838 4.95786 1.86044      0.742657  2.48246      0.770169  29.0116     258.386     17.7558     258.386     
1 1 1 7  25 32 o 13.1687 3.80536 0.416136     0.416346  0.0247436    0.434819  3.09437     303.606     5.62543     123.606     
1 1 1 7  25 33 o 22.568  4.02431 0.657711     0.516295  1.72719      0.500804  14.7629     284.509     1.86463     104.509     
1 1 1 7  25 34 o 38.1304 3.6673  2.70905      0.68937   3.71527      0.704802  38.5377     268.294     20.7948     268.294     
1 1 1 7  25 35 o 16.8526 4.33469 0.309123     0.5709    0.922271     0.488165  8.42648     249.713     0.891367    69.7128     
1 1 1 7  25 36 f 20.7433 4.7159  1.13085      0.596172  1.10998      0.555353  9.06889     74.8221     0           0           
1 1 1 7  25 37 o 23.3158 4.69823 1.33608      0.592855  1.49584      0.5994    15.2073     9.52        0.22809     9.51994     
1 1 1 7  25 38 o 8.56895 2.9487  -1.34193     0.462284  -0.210681    0.418485  1.78588     206.262     6.54683     206.262     
1 1 1 7  25 39 o 26.8434 5.00838 1.81176      0.685518  2.12959      0.72997   22.8031     340.034     13.2689     340.034     
1 1 1 7  25 40 o 16.4713 4.7267  0.744582     0.636267  0.650587     0.623984  7.00531     35.6957     0.0561307   215.697     
1 1 1 7  25 41 o 18.1794 4.69299 1.22675      0.616898  0.582532     0.567103  10.3008     322.751     3.18691     322.751     
1 1 1 7  25 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  26 0  o 74.5644 4.0359  10.7425      1.53836   10.7425      1.53836   62.0121     90          0.472412    270         
1 1 1 7  26 1  o 16.9476 4.81696 -0.484312    0.779331  0.756365     0.666146  6.87255     252.985     1.22994     72.9846     
1 1 1 7  26 2  o 44.3155 5.59876 3.76267      1.49063   4.58775      0.833396  34.4796     267.623     2.32713     87.6234     
1 1 1 7  26 3  o 16.5268 4.20204 0.569387     0.473084  0.398032     0.447695  6.38729     67.893      0.806015    247.893     
1 1 1 7  26 4  o 40.7684 3.49414 3.5539       0.683582  2.9757       0.746964  40.0563     225.81      15.6228     225.81      
1 1 1 7  26 5  o 31.3088 3.97444 2.1998       0.594891  1.76425      0.640038  22.2266     277.515     4.40504     97.5147     
1 1 1 7  26 6  o 17.948  4.28059 0.909279     0.489131  0.225686     0.525554  2.94658     203.178     19.8073     23.178      
1 1 1 7  26 7  o 42.2664 3.59034 3.98832      0.736409  3.07671      0.782023  27.1396     290.353     14.0137     110.353     
1 1 1 7  26 8  o 37.3341 3.69929 3.187        0.68417   2.37713      0.69189   29.4029     121.832     0.40196     301.832     
1 1 1 7  26 9  o 13.6774 3.85322 -0.337597    0.43464   0.539653     0.473824  2.02736     259.927     2.1922      79.9268     
1 1 1 7  26 10 o 15.3364 4.36601 0.313385     0.587564  0.268377     0.476876  3.7353      124.232     1.15461     304.232     
1 1 1 7  26 11 o 16.0586 4.44436 0.320951     0.46316   0.450988     0.609382  6.1271      151.587     3.42634     331.587     
1 1 1 7  26 12 o 20.9335 4.549   1.0188       0.543257  0.797814     0.544792  14.0018     188.102     1.48172     188.102     
1 1 1 7  26 13 o 20.5    4.49409 0.983819     0.530045  0.75503      0.529788  11.8736     89.3888     4.02008     269.389     
1 1 1 7  26 14 o 34.9655 4.16733 2.51691      0.776554  2.50308      0.676661  31.2281     8.76857     8.63028     8.76857     
1 1 1 7  26 15 o 17.6001 4.71011 0.410775     0.493114  0.698884     0.683076  8.33148     298.524     3.98755     118.524     
1 1 1 7  26 16 o 46.5754 4.44708 5.16724      1.02522   3.86515      1.03918   45.1471     132.112     16.7344     132.112     
1 1 1 7  26 17 o 18.1732 3.71767 -0.92144     0.578394  1.44035      0.525744  10.6417     145.029     0.576301    325.029     
1 1 1 7  26 18 o 25.2346 4.57474 1.24657      0.58981   1.5113       0.614967  21.662      143.441     8.55039     143.441     
1 1 1 7  26 19 o 14.8535 4.26137 0.125647     0.514451  0.414369     0.520201  1.33953     279.222     17.146      99.2224     
1 1 1 7  26 20 o 15.0089 4.24664 -0.0202389   0.51736   0.560381     0.526239  6.12542     233.824     3.14845     53.8238     
1 1 1 7  26 21 f 21.2319 4.69321 1.2451       0.582067  0.720843     0.596351  17.8762     239.998     0           0           
1 1 1 7  26 22 o 23.7602 4.82449 1.43416      0.626984  1.12452      0.631874  19.5718     76.4429     6.3121      76.4429     
1 1 1 7  26 23 o 24.403  4.83829 1.71044      0.659236  1.03014      0.643344  14.3768     224.43      7.4724      44.4297     
1 1 1 7  26 24 o 17.5995 4.71061 0.503792     0.58099   0.742479     0.603262  10.4983     216.274     3.49032     216.274     
1 1 1 7  26 25 o 13.3854 3.97376 0.586276     0.532838  -0.814053    0.555873  4.80037     194.752     3.96792     14.7521     
1 1 1 7  26 26 o 27.7195 4.7197  1.16934      0.680352  2.48416      0.712601  22.7378     163.811     4.98129     163.811     
1 1 1 7  26 27 o 10.5839 3.53684 -0.49508     0.52716   -0.324193    0.497289  0.684065    183.236     11.3001     183.236     
1 1 1 7  26 28 o 32.1157 5.00927 2.6939       0.880254  2.31828      0.743121  29.6381     337.858     12.8408     337.858     
1 1 1 7  26 29 o 16.136  4.7364  0.147443     0.594721  0.778801     0.720362  6.91337     80.0123     1.86311     260.012     
1 1 1 7  26 30 o 30.7182 4.94259 2.40398      0.75527   2.27202      0.78381   24.366      6.38978     3.96236     6.38977     
1 1 1 7  26 31 o 21.4529 5.12166 1.04009      0.655394  1.39645      0.70226   14.2906     95.5313     0.582809    95.5313     
1 1 1 7  26 32 o 20.8826 5.11532 0.865109     0.685592  1.46728      0.698411  14.1337     127.495     2.18312     127.495     
1 1 1 7  26 33 o 10.8481 3.67519 -0.338401    0.584565  -0.657719    0.603325  0.606498    195.766     9.81893     195.766     
1 1 1 7  26 34 o 17.3734 4.33629 1.20609      0.526541  -0.252128    0.730982  7.94791     186.734     1.11715     6.73367     
1 1 1 7  26 35 o 41.132  3.48429 3.94619      0.760414  3.52481      0.696285  39.2555     133.732     18.8499     133.732     
1 1 1 7  26 36 o 16.5633 4.42224 0.541399     0.546339  0.771225     0.505647  4.39767     116.814     11.2279     296.814     
1 1 1 7  26 37 o 13.8802 3.87868 -0.46974     0.499404  0.82859      0.489774  1.63238     169.542     0.69729     349.542     
1 1 1 7  26 38 o 18.3943 4.71303 1.25616      0.622427  0.600893     0.568075  9.94537     53.5978     1.49326     233.598     
1 1 1 7  26 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  27 0  o 8.57857 4.1914  -0.43101     0.630249  -0.43101     0.630249  0.242651    269.999     0.924032    269.999     
1 1 1 7  27 1  o 29.9395 5.71717 2.58312      0.984755  1.4867       0.86213   16.1941     150.019     13.6648     330.019     
1 1 1 7  27 2  o 13.628  4.34754 -0.609464    0.68341   0.0661587    0.652886  0.206534    288.4       15.626      108.4       
1 1 1 7  27 3  o 9.49369 3.03839 -0.534312    0.3113    0.067558     0.358604  2.36704     318.147     10.8887     318.147     
1 1 1 7  27 4  o 48.3433 3.32004 5.22923      0.848722  3.98128      0.788334  37.9163     117.564     1.69114     297.564     
1 1 1 7  27 5  f 45.7368 3.44295 4.81681      0.827621  3.49146      0.769382  45.9015     312.833     0           0           
1 1 1 7  27 6  f 46.922  3.62583 4.7397       0.847258  4.03118      0.877675  27.0688     341.483     0           0           
1 1 1 7  27 7  o 50.9632 3.4661  5.52213      0.844939  4.74706      0.944235  46.3471     218.964     11.2848     218.964     
1 1 1 7  27 8  o 44.6057 3.86129 4.5769       0.782724  3.46224      0.912564  40.9395     343.584     11.4464     343.584     
1 1 1 7  27 9  o 47.9714 3.49527 5.26321      0.823632  3.90366      0.8613    49.3611     165.243     23.0675     165.243     
1 1 1 7  27 10 o 33.2798 4.47686 2.91729      0.796471  1.80452      0.692785  27.8484     292.678     4.81884     292.678     
1 1 1 7  27 11 o 53.8046 3.44762 5.56402      0.868604  5.92314      1.02937   49.3868     150.165     12.8647     150.165     
1 1 1 7  27 12 o 30.6237 4.15465 2.0105       0.639791  1.90865      0.631271  21.9218     94.3324     3.0484      274.332     
1 1 1 7  27 13 o 50.6683 3.52624 5.84497      0.854371  4.46885      0.937869  49.3658     23.5002     18.4695     23.5002     
1 1 1 7  27 14 o 37.1998 4.29564 2.26852      0.766235  3.62119      0.812323  32.6291     233.421     7.693       233.421     
1 1 1 7  27 15 o 29.2613 5.16384 2.80076      0.853505  1.16103      0.789355  23.4087     211.685     3.16237     211.685     
1 1 1 7  27 16 o 24.3667 4.88521 1.63793      0.658902  1.03037      0.658139  18.4455     10.9069     2.03486     10.9069     
1 1 1 7  27 17 o 20.8099 4.72231 1.11598      0.583351  0.78702      0.583035  8.79343     357.053     12.7051     177.053     
1 1 1 7  27 18 o 29.1451 4.57379 1.55289      0.668439  2.22671      0.683992  20.2312     185.896     3.72437     5.89615     
1 1 1 7  27 19 o 29.0693 4.40188 2.71124      0.662519  1.11602      0.659284  21.9999     18.2116     0.197375    18.2117     
1 1 1 7  27 20 o 20.057  4.72608 0.698938     0.57556   1.1071       0.592409  14.0258     197.678     1.41173     197.678     
1 1 1 7  27 21 o 26.1664 4.60318 0.931144     0.629123  2.27812      0.682186  23.9827     134.163     11.1012     134.163     
1 1 1 7  27 22 o 41.5644 4.00466 3.172        0.835377  4.28749      0.818148  38.4158     197.238     12.8748     197.238     
1 1 1 7  27 23 o 26.938  4.97486 2.22401      0.732008  1.29736      0.709042  16.0214     171.059     7.89319     351.059     
1 1 1 7  27 24 o 18.3392 4.80821 0.825429     0.605635  0.688493     0.612448  10.1747     343.289     2.34121     163.289     
1 1 1 7  27 25 o 37.9417 4.28358 3.48981      0.80904   3.01294      0.814287  35.3401     74.1495     14.017      74.1495     
1 1 1 7  27 26 o 23.5386 5.02029 1.89169      0.70597   0.91757      0.691656  12.2423     283.274     9.01274     103.274     
1 1 1 7  27 27 o 25.2946 5.45983 1.65246      0.830918  1.79882      0.743194  21.225      32.2039     10.7173     32.2039     
1 1 1 7  27 28 o 16.2073 4.8726  0.195304     0.736239  0.695829     0.71935   7.24566     95.6869     1.53843     275.687     
1 1 1 7  27 29 o 29.3416 5.02164 2.15324      0.750728  2.25443      0.760364  26.385      257.349     11.9949     257.349     
1 1 1 7  27 30 o 18.6904 5.04162 0.74764      0.688504  1.06792      0.681212  9.6751      345.381     3.18676     165.381     
1 1 1 7  27 31 o 33.2318 4.96442 2.42055      0.801649  3.26657      0.858867  28.7199     315.526     10.389      315.526     
1 1 1 7  27 32 f 18.8576 5.02672 0.835964     0.659829  1.08308      0.683693  9.19839     279.282     0           0           
1 1 1 7  27 33 f 15.9683 4.53689 -0.625256    0.641014  1.27257      0.70931   6.36007     10.2315     0           0           
1 1 1 7  27 34 o 11.2915 3.78185 -1.09957     0.652279  0.064888     0.593769  0.158502    260.756     6.36221     80.7564     
1 1 1 7  27 35 o 14.118  4.50345 0.26802      0.682233  0.171238     0.716059  3.70327     65.3578     4.69011     245.358     
1 1 1 7  27 36 o 22.3003 5.41752 1.43977      0.63518   1.67043      0.912608  15.838      197.359     4.81513     197.359     
1 1 1 7  27 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  28 0  o 15.8058 6.30736 0.751227     0.789858  0.751227     0.789858  7.56007     270         0.316716    90          
1 1 1 7  28 1  o 14.8936 4.62468 0.354251     0.708088  -0.487717    0.718634  2.67814     58.2081     13.5554     238.208     
1 1 1 7  28 2  o 31.8515 5.50323 1.71886      0.893051  2.97904      0.944182  22.172      199.447     4.26553     19.447      
1 1 1 7  28 3  o 36.9507 4.26424 4.05742      0.982043  1.89081      0.61133   27.5748     179.193     2.39877     359.193     
1 1 1 7  28 4  o 49.0588 3.28152 5.77555      0.809671  3.8612       0.806522  43.1485     93.6924     8.64213     93.6924     
1 1 1 7  28 5  o 48.6266 3.38547 5.90779      0.822159  3.64626      0.814509  46.7241     290.189     16.8348     290.189     
1 1 1 7  28 6  o 23.5612 4.59601 1.35863      0.58493   1.0716       0.579798  16.4073     39.241      0.994624    219.241     
1 1 1 7  28 7  o 23.9769 4.56483 1.12829      0.574665  1.39196      0.588794  20.3587     211.68      8.46859     211.68      
1 1 1 7  28 8  o 37.6699 3.91461 3.73452      0.726121  2.21918      0.714426  33.2654     174.785     8.28817     174.785     
1 1 1 7  28 9  o 25.1858 4.67556 1.68586      0.632639  1.13594      0.6188    19.0131     272.358     1.50455     272.358     
1 1 1 7  28 10 o 19.7086 4.92691 1.0931       0.688359  0.571987     0.580873  11.247      226.865     4.41082     46.8649     
1 1 1 7  28 11 o 14.1768 4.31893 0.00904305   0.512992  0.251253     0.634479  4.93222     4.57372     1.78684     184.574     
1 1 1 7  28 12 o 43.0552 4.03314 4.23796      0.847626  3.56282      0.892907  43.2249     242.256     19.8979     242.256     
1 1 1 7  28 13 o 22.0463 5.08616 1.03758      0.675861  1.20031      0.663365  17.5517     191.339     9.04709     191.339     
1 1 1 7  28 14 o 27.5524 4.74491 1.08202      0.730203  2.41471      0.686294  23.8489     119.451     7.64699     119.451     
1 1 1 7  28 15 o 9.47205 3.21022 -0.715471    0.420915  -0.325635    0.476054  0.113747    233.218     3.60796     53.2183     
1 1 1 7  28 16 o 18.3399 5.05096 0.869213     0.818864  0.553004     0.560567  11.9375     305.063     2.86912     305.063     
1 1 1 7  28 17 o 23.1161 4.44015 2.17772      0.681529  0.232501     0.622793  17.3661     22.4616     2.20394     22.4616     
1 1 1 7  28 18 o 42.4013 4.03605 4.48007      0.903715  3.33444      0.819247  41.5331     146.494     18.3323     146.494     
1 1 1 7  28 19 o 18.7856 4.89986 1.08796      0.648968  0.444891     0.659193  11.7351     63.1274     2.47495     63.1274     
1 1 1 7  28 20 o 18.8957 6.59061 -1.83323     0.466944  0.823988     0.560735  9.86047     209.017     0.626678    209.017     
1 1 1 7  28 21 o 36.0291 4.69493 3.1441       0.814664  2.92692      0.870929  30.0561     289.245     6.35639     289.245     
1 1 1 7  28 22 o 15.6259 4.59513 0.627724     0.596591  0.0632007    0.683603  6.10531     75.3924     1.97293     255.392     
1 1 1 7  28 23 o 21.6276 4.68141 1.89421      0.65865   0.199494     0.749457  14.9423     182.051     1.87802     182.051     
1 1 1 7  28 24 o 21.0908 5.08403 1.19923      0.650057  1.10407      0.68538   13.0729     76.2412     1.55021     256.241     
1 1 1 7  28 25 o 21.6398 5.00427 1.78365      0.703433  0.609089     0.717219  12.5352     356.926     4.34193     176.926     
1 1 1 7  28 26 o 18.062  4.88187 0.642853     0.626101  0.963172     0.655689  9.91672     172.696     0.326415    352.696     
1 1 1 7  28 27 o 24.4216 5.56811 1.55821      0.86513   1.89153      0.768742  15.2225     343.76      2.83939     163.76      
1 1 1 7  28 28 o 14.2128 4.4661  0.428396     0.629464  -0.182222    0.73959   3.18857     322.677     4.31792     142.677     
1 1 1 7  28 29 o 16.9659 4.80106 0.735017     0.630507  0.648094     0.651609  5.77588     315.164     0.83172     135.164     
1 1 1 7  28 30 o 15.0957 4.50162 0.792959     0.646323  -0.0923013   0.620998  3.36406     9.92536     8.97973     189.925     
1 1 1 7  28 31 o 11.4785 3.82334 -0.0847418   0.593543  -0.49001     0.589966  0.335256    5.47576     5.52958     185.476     
1 1 1 7  28 32 o 11.4778 3.84163 -0.776305    0.602339  0.0530905    0.629953  0.507995    359.895     6.74177     179.895     
1 1 1 7  28 33 o 13.3434 4.36158 -0.073043    0.714382  0.117983     0.706197  0.18205     190.944     15.0887     10.9441     
1 1 1 7  28 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  28 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  29 0  o 11.6175 5.28543 0.163855     0.730682  0.163855     0.730682  2.0127      90.0002     2.7211      270         
1 1 1 7  29 1  o 18.8875 5.3362  0.470182     0.790811  0.888452     0.802553  11.205      177.222     2.01674     357.222     
1 1 1 7  29 2  o 13.2335 4.32559 -0.311452    0.693225  -0.265177    0.701376  4.04075     222.09      3.54626     42.0901     
1 1 1 7  29 3  o 13.3043 4.31785 -0.202811    0.677082  -0.242846    0.678112  2.99573     225.472     0.885091    45.4723     
1 1 1 7  29 4  o 30.5172 4.11508 2.47103      0.613038  1.5825       0.63202   25.5656     93.6164     5.37517     93.6164     
1 1 1 7  29 5  o 26.8361 4.50952 1.54376      0.618488  1.68707      0.618164  17.0697     269.919     6.00513     89.9192     
1 1 1 7  29 6  o 24.7618 4.58062 1.69552      0.606491  1.10283      0.602276  20.3554     218.73      5.56416     218.73      
1 1 1 7  29 7  o 17.6036 4.49902 0.894897     0.545576  0.349243     0.54836   9.05918     292.183     5.34765     112.183     
1 1 1 7  29 8  o 16.2655 4.46381 0.583779     0.536045  0.385889     0.547239  8.91254     13.8277     0.930857    193.828     
1 1 1 7  29 9  o 39.4215 3.81606 3.32061      0.750402  3.26112      0.767758  40.3177     246.738     20.8684     246.738     
1 1 1 7  29 10 o 28.2535 5.10448 1.14532      0.807294  2.73566      0.800008  15.8372     90.1609     10.723      270.161     
1 1 1 7  29 11 o 20.1107 4.50408 1.76698      0.664228  -0.972691    0.875903  10.1282     328.472     7.97007     148.472     
1 1 1 7  29 12 o 18.4663 4.90836 0.903985     0.637182  0.564174     0.654205  7.39562     69.8921     10.4272     249.892     
1 1 1 7  29 13 o 14.0965 4.22449 0.402933     0.55547   -0.0117486   0.530386  3.87652     273.834     0.965953    93.8343     
1 1 1 7  29 14 o 18.2334 4.72127 0.681795     0.578418  0.802296     0.588492  7.71985     19.7109     8.79447     199.711     
1 1 1 7  29 15 o 18.426  4.84046 0.351441     0.61189   1.1412       0.671751  10.5908     269.553     0.522112    269.553     
1 1 1 7  29 16 o 13.7422 4.0486  0.687221     0.561262  -0.650108    0.530592  1.99211     325.984     0.914368    145.984     
1 1 1 7  29 17 o 20.7661 5.13183 1.59053      0.777498  0.596888     0.626765  13.3298     299.492     0.732496    299.492     
1 1 1 7  29 18 o 11.884  3.72441 -0.688624    0.460907  0.384306     0.519988  1.4135      207.033     4.27264     27.0329     
1 1 1 7  29 19 o 18.6438 4.40485 -0.056537    0.580547  1.48505      0.616794  10.8976     42.2523     0.561852    222.252     
1 1 1 7  29 20 o 21.5488 5.0362  1.44082      0.673984  0.95875      0.653213  15.3799     219.632     4.44104     219.632     
1 1 1 7  29 21 o 31.7603 4.89138 2.28035      0.778405  2.73469      0.7883    23.6108     308.331     0.861636    308.331     
1 1 1 7  29 22 o 15.541  4.58767 0.606341     0.624085  0.263594     0.619802  4.05074     47.7098     0.352454    47.7097     
1 1 1 7  29 23 o 25.6066 5.1371  1.51184      0.715901  2.00349      0.725003  18.7198     300.372     2.75389     300.372     
1 1 1 7  29 24 o 23.6098 4.7676  2.19837      0.695492  0.723065     0.669043  15.631      289.143     0.0904792   289.143     
1 1 1 7  29 25 o 14.9507 4.38203 0.886197     0.627899  -0.335444    0.59902   3.61552     257.631     2.65404     77.6305     
1 1 1 7  29 26 o 29.1781 4.88249 1.31652      0.742627  3.26869      0.805455  19.9402     38.9399     0.713169    218.94      
1 1 1 7  29 27 o 16.8681 5.05864 0.285586     0.793301  0.941332     0.779756  5.02363     307.55      9.37024     127.55      
1 1 1 7  29 28 o 15.6107 4.43057 -0.313251    0.587409  1.10453      0.646953  4.75492     351.123     1.16867     171.123     
1 1 1 7  29 29 o 17.9803 5.01957 1.23199      0.719595  0.49913      0.711498  8.76436     222.065     2.09605     42.065      
1 1 1 7  29 30 o 21.5009 5.34466 1.34985      0.740399  1.46881      0.738089  12.488      83.7928     6.96472     83.7928     
1 1 1 7  29 31 o ?       ?       ?            ?         ?            ?         11.136      4.90293     0           0           
1 1 1 7  29 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  30 0  o 6.79223 3.47486 -1.11077     0.644878  -1.11077     0.644878  6.01337     270         17.0785     270         
1 1 1 7  30 1  o 36.5959 5.76438 3.67049      1.06233   3.15487      1.07128   28.6308     240.491     2.53891     240.491     
1 1 1 7  30 2  o 12.742  4.21251 -0.478492    0.674261  -0.19442     0.708634  0.802023    14.0836     0.701106    194.084     
1 1 1 7  30 3  o 16.5307 4.82762 -0.693186    0.7507    1.09315      0.778499  6.57343     35.6782     0.91586     35.6782     
1 1 1 7  30 4  o 21.0495 5.02575 1.67973      0.822539  0.593632     0.494135  14.3709     304.996     2.41047     304.996     
1 1 1 7  30 5  o 12.2977 3.81764 0.0496111    0.45529   0.034185     0.480641  1.9703      48.8299     4.68216     228.83      
1 1 1 7  30 6  o 27.8608 4.56787 1.70548      0.64706   1.91515      0.647645  24.3969     101.252     10.2456     101.252     
1 1 1 7  30 7  o 38.1885 3.97797 3.78175      0.75996   2.63938      0.744909  36.3424     197.774     16.0915     197.774     
1 1 1 7  30 8  o 15.8879 4.4076  0.0680683    0.5313    0.817526     0.581324  4.45824     287.948     0.392525    287.948     
1 1 1 7  30 9  o 29.756  4.992   2.50845      0.723286  1.8261       0.813698  23.3689     114.314     4.0215      114.314     
1 1 1 7  30 10 o 16.9286 4.89438 -0.0639086   0.800279  0.909891     0.680193  6.89455     141.425     6.44179     321.425     
1 1 1 7  30 11 o 22.1657 5.30843 2.2794       0.905461  0.207545     0.756062  15.9197     21.7285     4.94095     21.7285     
1 1 1 7  30 12 o 15.2371 4.45662 0.596507     0.583253  0.127892     0.590461  5.67171     175.824     2.20482     355.824     
1 1 1 7  30 13 o 11.4165 3.74633 -0.490205    0.537632  -0.0354734   0.537429  0.392537    301.605     9.13978     121.605     
1 1 1 7  30 14 o 28.4408 4.75615 2.30235      0.69157   1.66482      0.700445  26.7003     25.1543     16.4653     25.1543     
1 1 1 7  30 15 o 17.5109 4.88941 0.697846     0.638651  0.701731     0.672332  8.25046     139.657     4.68298     319.657     
1 1 1 7  30 16 o 14.7053 4.37459 -0.197261    0.615137  0.672404     0.594981  2.3378      78.8145     0.0600982   78.8146     
1 1 1 7  30 17 f 26.4029 4.81221 2.55417      0.720793  1.05505      0.709576  16.5787     110.25      0           0           
1 1 1 7  30 18 o 20.484  5.22168 1.64947      0.813452  0.682844     0.631341  12.5402     172.906     0.366289    172.906     
1 1 1 7  30 19 o 12.1405 3.9735  -0.161136    0.594427  -0.14102     0.588151  0.625456    262.012     1.74164     82.0124     
1 1 1 7  30 20 o 14.6226 4.33232 0.706134     0.582036  -0.194407    0.607249  2.1263      341.15      1.00323     161.15      
1 1 1 7  30 21 o 11.2392 3.7161  -0.0425827   0.541373  -0.499266    0.548212  0.00486392  333.814     2.3929      153.815     
1 1 1 7  30 22 o 14.1775 4.37575 0.177144     0.59903   0.334649     0.616112  1.52968     290.501     1.54238     110.501     
1 1 1 7  30 23 o 17.5519 4.89219 0.850738     0.664706  0.693537     0.646853  7.00143     195.735     5.31359     15.7351     
1 1 1 7  30 24 o 17.8801 4.97539 0.823039     0.664972  0.857111     0.687973  8.18905     237         0.427679    56.9997     
1 1 1 7  30 25 o 10.1846 3.45754 -0.114686    0.549315  -0.947642    0.519528  0.0280975   280.424     0.592689    280.424     
1 1 1 7  30 26 o 15.9021 4.78985 0.265877     0.795558  0.75404      0.648639  3.23995     103.126     0.379235    103.126     
1 1 1 7  30 27 o 13.108  4.29787 -0.146205    0.623516  0.131677     0.758264  2.71369     342.602     6.48145     162.602     
1 1 1 7  30 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  30 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  31 0  o 22.9245 7.42951 1.81949      0.963688  1.81949      0.963688  20.4828     90          8.92466     90          
1 1 1 7  31 1  o 21.8065 5.67488 2.1059       0.954466  0.42274      0.899637  14.8187     301.886     2.63376     301.886     
1 1 1 7  31 2  o 23.8736 5.96779 1.88269      0.935063  1.45737      0.920227  17.8909     8.86017     5.65259     8.86016     
1 1 1 7  31 3  o 18.8261 5.23897 1.61111      0.869234  -0.218107    0.827793  3.24199     209.888     1.65107     209.888     
1 1 1 7  31 4  o 17.4854 5.23703 0.902278     0.830969  0.28815      0.842233  8.37933     116.755     3.36175     296.755     
1 1 1 7  31 5  o 27.1067 4.83144 2.48994      0.71988   1.23298      0.699498  20.3425     229.029     2.65415     229.029     
1 1 1 7  31 6  o 15.9365 4.49049 0.566856     0.547799  0.464438     0.569946  4.68508     32.7134     10.4724     212.713     
1 1 1 7  31 7  o 29.6493 4.73919 3.03225      0.711066  1.38303      0.782362  23.2245     212.772     4.14998     212.772     
1 1 1 7  31 8  f 12.5686 4.00639 -0.40797     0.5627    0.256857     0.571938  3.82783     95.6918     0           0           
1 1 1 7  31 9  f 11.172  3.67883 -0.646107    0.548491  0.0136237    0.52061   7.26503     148.945     0           0           
1 1 1 7  31 10 o 16.9728 4.74956 0.403851     0.670268  0.843449     0.605645  7.75877     328.874     0.238709    328.873     
1 1 1 7  31 11 o 13.4681 4.35506 -0.453439    0.701428  0.282132     0.692921  1.60253     285.165     19.6243     285.165     
1 1 1 7  31 12 o 31.9749 4.74647 3.4491       0.781458  1.7362       0.764126  30.0678     357.204     16.7302     357.204     
1 1 1 7  31 13 o 12.3912 3.99399 0.0137283    0.557342  -0.125505    0.578699  1.09531     66.1855     3.26921     246.186     
1 1 1 7  31 14 o 15.4629 4.29374 -0.485758    0.591954  1.04562      0.60074   3.84873     342.627     1.01343     162.627     
1 1 1 7  31 15 o 27.9567 5.15593 1.5116       0.743828  2.73375      0.812642  21.5533     185.752     5.90146     185.752     
1 1 1 7  31 16 o 16.6826 4.82756 0.984751     0.710641  0.213816     0.657997  4.09108     170.875     10.9741     350.875     
1 1 1 7  31 17 o 19.8618 5.14958 1.342        0.723239  0.811314     0.684421  9.93861     189.848     2.34432     189.848     
1 1 1 7  31 18 o 17.227  4.80786 1.05058      0.665379  0.323031     0.653212  3.16599     257.676     0.550532    257.676     
1 1 1 7  31 19 o 22.1557 5.07692 1.85998      0.709021  0.857106     0.715965  12.7988     36.7665     2.57422     216.766     
1 1 1 7  31 20 o 14.9285 4.62336 0.0634558    0.78824   0.528235     0.626574  3.85434     218.914     7.32886     38.9139     
1 1 1 7  31 21 o 15.21   4.40367 1.00829      0.633068  -0.350767    0.612702  5.07747     227.242     2.53595     47.2418     
1 1 1 7  31 22 o 18.5017 4.84294 1.41591      0.673296  0.378608     0.660514  9.44596     238.184     2.74006     58.1843     
1 1 1 7  31 23 o 16.3231 4.71531 0.197125     0.651423  0.998148     0.668945  6.64677     254.372     0.565302    254.372     
1 1 1 7  31 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  31 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  32 0  o 8.60588 4.27552 -0.542362    0.735002  -0.542362    0.735002  0.948818    270         3.49602     270         
1 1 1 7  32 1  o 16.4905 5.06523 -0.0953453   0.809026  0.981001     0.858342  5.67389     91.9426     3.09071     271.943     
1 1 1 7  32 2  o 20.4943 5.70108 0.712414     0.920581  1.69608      0.926545  11.294      136.933     1.00179     136.933     
1 1 1 7  32 3  o 19.6451 5.4038  0.0931423    0.868297  1.81441      0.89572   9.73587     0.938899    1.76107     0.938899    
1 1 1 7  32 4  o 14.564  4.72767 0.19552      0.826824  -0.0566861   0.799959  0.839352    64.5844     0.592655    244.584     
1 1 1 7  32 5  f 15.4566 5.03663 0.259961     0.812189  0.0116568    1.08325   0.979436    199.087     0           0           
1 1 1 7  32 6  o 10.489  3.50046 -0.230441    0.462644  -0.422401    0.536583  0.568178    16.0795     4.47298     16.0795     
1 1 1 7  32 7  o 18.1079 4.96973 1.1105       0.680015  0.501304     0.699549  7.38769     3.84117     4.73102     183.841     
1 1 1 7  32 8  o 24.895  5.18148 2.11235      0.763362  1.29167      0.691436  17.3532     154.041     3.40551     154.041     
1 1 1 7  32 9  o 8.7618  3.04686 -0.852557    0.484273  -0.703755    0.483067  2.71458     111.575     9.55435     111.575     
1 1 1 7  32 10 o 12.1619 3.93334 -0.303442    0.557441  0.115784     0.565658  0.585211    36.1325     3.50281     216.133     
1 1 1 7  32 11 o 19.6784 5.4838  0.843072     0.819834  1.36357      0.844485  9.83484     69.4381     2.62447     249.438     
1 1 1 7  32 12 o 10.3209 3.49991 -0.0310324   0.571614  -1.12637     0.514336  0.784613    107.672     6.4705      107.672     
1 1 1 7  32 13 o 16.4203 4.72949 0.370497     0.64414   0.836424     0.645878  4.97968     89.4953     0.149799    269.495     
1 1 1 7  32 14 o 19.3755 5.07334 1.33415      0.69317   0.727359     0.700556  9.92177     270.96      2.95936     270.96      
1 1 1 7  32 15 o 12.5751 4.12103 -0.0167079   0.637426  -0.161558    0.642112  1.19519     358.597     2.18704     178.597     
1 1 1 7  32 16 o 21.1999 5.3026  0.992489     0.781376  1.66845      0.735499  7.35189     225.807     4.42132     225.807     
1 1 1 7  32 17 o 15.9955 4.50875 1.17971      0.655799  -0.326064    0.639341  5.17993     144.998     8.24117     324.998     
1 1 1 7  32 18 o 15.9738 4.5361  -0.356436    0.636883  1.20343      0.676167  6.8675      38.6587     1.8479      218.659     
1 1 1 7  32 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  32 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  33 0  o 8.47703 4.24637 -0.66609     0.774796  -0.66609     0.774796  3.34039     270         12.3072     270         
1 1 1 7  33 1  o 13.9048 4.58415 -0.0422497   0.805543  -0.020389    0.813043  1.53792     33.0322     1.0276      213.032     
1 1 1 7  33 2  f 27.9942 5.72001 3.98317      1.07915   1.0278       1.00593   13.553      347.749     0           0           
1 1 1 7  33 3  o 21.1874 5.92159 1.58981      0.958027  1.41443      0.969475  12.7584     160.238     3.96665     160.238     
1 1 1 7  33 4  o 17.3696 5.52334 0.163831     0.871209  1.37883      1.18368   7.43988     200.015     1.73455     20.0145     
1 1 1 7  33 5  o 15.7925 5.18109 -0.583884    0.923927  1.06208      1.11176   5.11555     278.604     1.5167      98.6038     
1 1 1 7  33 6  o 19.9193 5.71571 1.31672      1.1475    1.22991      0.765063  11.253      157.879     2.38639     157.879     
1 1 1 7  33 7  o 9.55881 3.28879 -0.287576    0.54432   -0.949079    0.479117  0.612093    327.988     4.8763      327.988     
1 1 1 7  33 8  f 20.1214 4.94926 1.60298      0.691745  0.650093     0.643837  11.2118     92.31       0           0           
1 1 1 7  33 9  o 17.0135 4.82035 0.465715     0.65039   0.97457      0.665937  6.57032     199.4       6.88455     19.4002     
1 1 1 7  33 10 o 13.4598 4.21011 0.46827      0.597629  -0.206542    0.598899  2.92765     59.2183     7.30569     239.218     
1 1 1 7  33 11 o 12.687  4.16641 0.505171     0.748777  -0.755695    0.559519  2.33352     309.86      2.88916     129.86      
1 1 1 7  33 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  33 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 7  33 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  0  0  o 283.879 3.16571 147.826      4.65576   147.826      4.65576   346.635     180         124.027     180         
1 1 1 8  0  1  o 241.125 2.15491 106.622      2.69244   106.622      2.69244   308.549     270         133.296     270         
1 1 1 8  0  2  o 176.029 2.06686 56.8433      1.88477   56.8433      1.88477   207.636     1.03116e-06 63.3219     1.03116e-06 
1 1 1 8  0  3  o 504.359 2.80637 466.404      7.33592   466.404      7.33592   376.389     90          258.709     270         
1 1 1 8  0  4  o 306.876 2.28556 172.675      3.63477   172.675      3.63477   289.157     360         36.8372     180         
1 1 1 8  0  5  o 53.4899 2.34213 5.30459      0.643632  5.30459      0.643632  3.11219     270         14.236      270         
1 1 1 8  0  6  o 86.3243 2.12973 13.7086      0.950358  13.7086      0.950358  41.0864     0           41.2593     180         
1 1 1 8  0  7  o 756.58  3.63066 1049.63      14.2373   1049.63      14.2373   821.888     270         130.452     270         
1 1 1 8  0  8  o 316.735 2.32293 183.946      3.81292   183.946      3.81292   422.165     360         211.417     360         
1 1 1 8  0  9  o 307.47  2.30542 173.345      3.67345   173.345      3.67345   315.687     90          17.6613     90          
1 1 1 8  0  10 o 39.8682 2.75997 2.99655      0.556955  2.99655      0.556955  7.86995     180         20.9993     180         
1 1 1 8  0  11 o 102.7   2.46103 19.4004      1.30673   19.4004      1.30673   74.571      270         12.6718     270         
1 1 1 8  0  12 o 16.3742 5.41823 0.719346     0.51404   0.719346     0.51404   0.748034    4.97155e-05 1.55021     4.97155e-05 
1 1 1 8  0  13 o 245.181 2.55427 110.268      3.24468   110.268      3.24468   347.193     270         207.993     270         
1 1 1 8  0  14 o 398.845 2.93491 291.734      6.06631   291.734      6.06631   253.289     180         283.521     8.40635e-06 
1 1 1 8  0  15 o 15.2359 5.46255 0.62484      0.537873  0.62484      0.537873  109.118     270         224.919     270         
1 1 1 8  0  16 o 107.617 2.33249 21.2904      1.2984    21.2904      1.2984    60.2653     180         26.39       180         
1 1 1 8  0  17 o 253.091 2.24538 117.48       2.94471   117.48       2.94471   228.076     270         42.1551     90          
1 1 1 8  0  18 f 160.325 2.1501  47.1722      1.78542   47.1722      1.78542   154.444     180         0           0           
1 1 1 8  0  19 o 6.98646 3.38582 -0.265253    0.392014  -0.265253    0.392014  1.28323     89.9995     2.58372     89.9995     
1 1 1 8  0  20 o 64.0589 2.38916 7.58666      0.788263  7.58666      0.788263  0.543152    180         69.2644     8.63343e-06 
1 1 1 8  0  21 o 207.159 2.53895 78.7701      2.72456   78.7701      2.72456   175.136     90          53.543      270         
1 1 1 8  0  22 o 69.9739 2.69363 9.06032      0.970362  9.06032      0.970362  26.1461     360         184.146     360         
1 1 1 8  0  23 o 52.1584 2.91805 5.08425      0.777255  5.08425      0.777255  1.72618     90          77.6098     90          
1 1 1 8  0  24 o 135.017 2.776   33.5318      1.93913   33.5318      1.93913   147.684     0           34.5341     0           
1 1 1 8  0  25 o 339.503 3.1352  211.684      5.51534   211.684      5.51534   363.525     270         73.22       270         
1 1 1 8  0  26 o 195.063 2.37848 69.8658      2.40334   69.8658      2.40334   213.724     180         53.0453     180         
1 1 1 8  0  27 o 190.611 2.37483 66.7216      2.3448    66.7216      2.3448    226.753     270         88.921      270         
1 1 1 8  0  28 o 213.077 2.41272 83.3733      2.66332   83.3733      2.66332   180.036     360         46.0111     180         
1 1 1 8  0  29 o 107.062 2.26983 21.0873      1.25712   21.0873      1.25712   129.936     270         56.727      270         
1 1 1 8  0  30 o 190.343 2.24898 66.5318      2.21758   66.5318      2.21758   201.284     7.04779e-07 42.5692     7.04779e-07 
1 1 1 8  0  31 o 111.475 2.27547 22.8595      1.31238   22.8595      1.31238   108.283     270         6.57561     270         
1 1 1 8  0  32 o 284.607 2.39886 148.741      3.53787   148.741      3.53787   335.176     0           136.441     0           
1 1 1 8  0  33 f 122.054 2.2955  27.4027      1.44999   27.4027      1.44999   178.391     90          0           0           
1 1 1 8  0  34 o 63.6262 2.55815 7.50705      0.837422  7.50705      0.837422  63.7415     180         11.2983     180         
1 1 1 8  0  35 o 121.737 2.31479 27.2773      1.45833   27.2773      1.45833   75.6734     90          74.0273     270         
1 1 1 8  0  36 o 28.7379 4.23725 1.70663      0.556446  1.70663      0.556446  0.726863    360         1.21568     180         
1 1 1 8  0  37 o 84.0543 2.82543 13.0959      1.22468   13.0959      1.22468   77.0964     90          0.0489044   90          
1 1 1 8  0  38 o 27.3215 5.22659 1.65525      0.639674  1.65525      0.639674  4.00605     180         1.03911     180         
1 1 1 8  0  39 o 9.85337 4.32969 0.125258     0.444255  0.125258     0.444255  12.5286     270         30.7708     270         
1 1 1 8  0  40 o 9.89646 4.4553  0.0602617    0.502558  0.0602617    0.502558  1.73157     180         4.35756     180         
1 1 1 8  0  41 o 77.7278 2.71129 11.2498      1.08631   11.2498      1.08631   75.5405     270         11.4346     270         
1 1 1 8  0  42 o 28.5002 4.3713  1.71388      0.566136  1.71388      0.566136  20.4718     1.74875e-06 8.95411     180         
1 1 1 8  0  43 o 21.213  5.25429 1.11195      0.523161  1.11195      0.523161  14.3649     270         0.737854    270         
1 1 1 8  0  44 o 12.7321 5.22235 0.401724     0.563268  0.401724     0.563268  0.229692    180         1.46971     8.65046e-06 
1 1 1 8  0  45 o 33.0442 3.82113 2.20563      0.601982  2.20563      0.601982  29.1695     90          0.306038    90          
1 1 1 8  0  46 o 6.57244 3.27627 -0.494413    0.443004  -0.494413    0.443004  3.02328     180         8.06423     180         
1 1 1 8  0  47 o 10.6643 4.75541 0.143112     0.557073  0.143112     0.557073  4.19264     270         22.643      270         
1 1 1 8  0  48 o 39.8625 3.34782 3.12208      0.666083  3.12208      0.666083  36.3204     180         3.89912     180         
1 1 1 8  0  49 o 26.5452 4.88757 1.60198      0.581091  1.60198      0.581091  27.9882     90          11.2594     90          
1 1 1 8  0  50 o 6.61508 3.31522 -0.56619     0.47416   -0.56619     0.47416   4.3827      180         12.3269     180         
1 1 1 8  0  51 o 8.47724 4.0159  -0.120001    0.491926  -0.120001    0.491926  6.71255     270         24.4484     270         
1 1 1 8  0  52 o 19.9868 5.71928 1.12913      0.579111  1.12913      0.579111  18.9125     0           10.1495     0           
1 1 1 8  0  53 o 12.7228 5.26435 0.475961     0.580519  0.475961     0.580519  3.01924     270         13.3729     90          
1 1 1 8  0  54 o 10.9304 4.82724 0.257784     0.559362  0.257784     0.559362  1.78509     3.19383e-10 5.82289     180         
1 1 1 8  0  55 o 7.81573 3.89401 -0.546135    0.623239  -0.546135    0.623239  3.29908     90          11.9919     90          
1 1 1 8  0  56 o 8.48229 4.09373 -0.181201    0.560147  -0.181201    0.560147  1.80216     360         9.34811     360         
1 1 1 8  0  57 f 9.67427 4.5433  0.0373799    0.606382  0.0373799    0.606382  1.71048     89.9999     0           0           
1 1 1 8  0  58 o 14.2455 5.77336 0.751115     0.676024  0.751115     0.676024  4.00875     180         2.04261     360         
1 1 1 8  0  59 o 8.74523 4.21535 -0.133139    0.589957  -0.133139    0.589957  3.1751      90          12.6911     90          
1 1 1 8  0  60 o 9.3055  4.50928 -0.130082    0.694971  -0.130082    0.694971  0.233862    8.65582e-06 2.44553     8.65583e-06 
1 1 1 8  0  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  1  0  o 239.299 2.14944 105.014      2.66526   105.014      2.66526   240.792     180         1.51196     180         
1 1 1 8  1  1  o 104.923 2.04566 20.8458      1.11354   19.5579      1.1088    69.1354     317.228     16.802      137.228     
1 1 1 8  1  2  o 314.717 2.29951 180.119      3.74845   183.058      3.75409   312.821     261.032     7.66282     261.032     
1 1 1 8  1  3  o 186.866 2.0765  62.9263      2.00978   65.1104      2.01259   195.916     320.223     44.6342     320.223     
1 1 1 8  1  4  f 380.272 2.45776 271.582      4.85292   258.742      4.83475   303.75      104.394     0           0           
1 1 1 8  1  5  o 149.032 2.05709 40.9675      1.5911    40.4645      1.58715   61.7735     201.137     156.033     21.137      
1 1 1 8  1  6  o 167.682 2.07628 51.1922      1.80453   51.8971      1.80479   156.261     300.408     4.29302     300.408     
1 1 1 8  1  7  o 128.677 2.07651 28.7007      1.37852   32.0517      1.38896   98.7209     15.1654     24.8672     195.165     
1 1 1 8  1  8  o 229.649 2.15432 96.2889      2.56498   97.0749      2.56402   196.493     268.645     49.4001     88.6452     
1 1 1 8  1  9  o 271.412 2.23078 134.012      3.13846   136.085      3.13833   280.635     274.554     36.0592     274.554     
1 1 1 8  1  10 o 120.223 2.23913 25.759       1.39314   27.2842      1.39439   83.0031     294.029     37.5291     114.029     
1 1 1 8  1  11 o 182.689 2.45022 61.2019      2.32171   61.1813      2.31893   123.667     292.274     98.0795     112.274     
1 1 1 8  1  12 o 189.449 2.58327 64.9732      2.64541   66.6485      2.42007   116.854     307.415     126.297     127.415     
1 1 1 8  1  13 f 46.5082 3.09034 3.75252      0.734065  4.25957      0.736015  79.1371     341.381     0           0           
1 1 1 8  1  14 o 154.068 2.27777 42.0605      1.81424   45.0059      1.82266   112.48      79.5375     56.0503     259.537     
1 1 1 8  1  15 o 235.956 2.45754 103.296      3.11913   100.89       2.89053   294.342     289.559     149.755     289.559     
1 1 1 8  1  16 o 121.823 2.50229 28.7981      1.71653   25.7209      1.4401    90.014      124.295     23.5384     304.295     
1 1 1 8  1  17 o 185.972 2.40343 63.429       2.40682   63.421       2.22338   169.763     289.207     4.69377     109.207     
1 1 1 8  1  18 o 370.467 2.6617  255.12       5.11449   248.418      5.10771   392.433     94.2245     68.5492     94.2245     
1 1 1 8  1  19 o 427.993 2.85378 337.758      5.86217   334.476      6.7635    481.014     123.432     133.764     123.432     
1 1 1 8  1  20 o 84.2657 2.42171 11.8056      0.969897  14.3524      1.14357   31.902      293.264     10.0633     113.264     
1 1 1 8  1  21 o 170.646 2.50283 52.146       2.20485   54.7385      2.22238   126.025     209.677     63.9307     29.6767     
1 1 1 8  1  22 o 140.882 2.50305 37.3408      1.83203   35.5486      1.82166   112.556     34.8646     30.1742     214.865     
1 1 1 8  1  23 o 197.504 2.35343 71.9909      2.41188   71.1984      2.40687   183.215     252.625     5.43122     72.6253     
1 1 1 8  1  24 o 73.1068 2.48313 9.74919      0.940661  9.92206      0.935719  31.7475     61.6787     60.5219     241.679     
1 1 1 8  1  25 o 130.958 2.34941 31.3028      1.58799   31.7129      1.59915   84.777      98.4431     76.0487     278.443     
1 1 1 8  1  26 o 195.504 2.3744  70.0497      2.40028   70.3336      2.4122    187.622     271.674     5.73304     271.674     
1 1 1 8  1  27 o 122.446 2.20031 26.2414      1.38847   28.8689      1.40154   97.5655     342.301     31.1215     162.301     
1 1 1 8  1  28 o 49.0683 2.73781 4.34412      0.668075  4.56488      0.713428  10.2302     215.924     56.4169     35.9235     
1 1 1 8  1  29 o 119.418 2.32036 25.2601      1.38209   27.1927      1.48834   123.892     91.3869     31.3179     91.3869     
1 1 1 8  1  30 o 110.192 2.35507 22.6682      1.30031   21.9953      1.38413   70.5401     72.8925     60.8932     252.893     
1 1 1 8  1  31 o 174.266 2.32551 52.5417      2.02045   59.1636      2.18186   158.97      116.754     5.80577     296.754     
1 1 1 8  1  32 o 186.514 2.35437 65.9297      2.36348   61.9896      2.18942   189.693     0.930739    33.7419     0.930739    
1 1 1 8  1  33 o 44.89   3.05477 3.71294      0.732922  3.78227      0.668677  27.2855     98.0028     2.07696     278.003     
1 1 1 8  1  34 o 140.087 2.37435 36.5147      1.78959   35.6935      1.65748   136.945     325.684     19.1262     325.684     
1 1 1 8  1  35 o 68.6448 2.62974 8.28936      0.957752  9.13897      0.901122  38.0534     70.002      42.5928     250.002     
1 1 1 8  1  36 o 30.5431 3.74192 1.88928      0.574929  1.67483      0.566361  7.17616     299.678     11.7852     119.678     
1 1 1 8  1  37 o 135.431 2.68986 33.8671      1.89034   33.9909      1.88255   114.7       108.365     16.1921     288.365     
1 1 1 8  1  38 o 38.3328 3.82125 2.16226      0.712143  3.51839      0.731522  31.5458     346.536     3.48173     346.536     
1 1 1 8  1  39 o 16.7133 4.28889 0.534025     0.496139  0.351035     0.466105  2.56456     48.5018     17.4801     48.5018     
1 1 1 8  1  40 o 15.7105 4.24332 0.287804     0.47349   0.386464     0.489636  3.35198     55.9811     17.8472     55.9811     
1 1 1 8  1  41 o 18.765  4.46869 0.778716     0.516579  0.492342     0.524257  2.46128     128.58      6.08686     308.58      
1 1 1 8  1  42 o 53.8232 2.77657 5.948        0.774363  4.98323      0.760439  50.8717     122.881     9.56358     122.881     
1 1 1 8  1  43 o 65.2728 2.62435 8.09257      0.882639  7.93998      0.885821  47.6517     103.595     18.7029     283.595     
1 1 1 8  1  44 o 24.8256 4.74212 1.19622      0.617979  1.34488      0.632069  11.0673     193.787     17.3377     13.7868     
1 1 1 8  1  45 o 18.7957 4.28372 1.00778      0.512787  0.319696     0.490959  9.20254     81.3901     8.68102     261.39      
1 1 1 8  1  46 o 20.9672 4.04671 1.60372      0.550818  0.039414     0.537359  0.000217515 67.0323     33.8323     67.3233     
1 1 1 8  1  47 o 56.2348 3.0252  5.82924      0.865618  6.3959       0.884029  52.2157     66.4669     8.77682     66.4669     
1 1 1 8  1  48 o 37.4574 3.45951 2.61627      0.65183   2.96413      0.657187  32.4911     91.6332     3.27401     91.6332     
1 1 1 8  1  49 o 11.7045 3.70225 -0.412573    0.464048  0.0827395    0.479798  0.971392    37.6508     5.06504     217.651     
1 1 1 8  1  50 o 48.7719 3.07974 4.70233      0.77268   4.68093      0.76815   47.173      69.9425     13.472      69.9425     
1 1 1 8  1  51 o 26.1149 4.51929 1.3483       0.615293  1.68099      0.603083  21.7305     290.266     3.3991      290.266     
1 1 1 8  1  52 o 12.1767 3.75111 0.410494     0.512006  -0.806375    0.479774  2.32699     303.196     9.60801     123.196     
1 1 1 8  1  53 o 33.8923 4.13654 2.28465      0.686243  2.81443      0.71213   31.6447     206.116     9.4487      206.116     
1 1 1 8  1  54 o 23.8712 4.73311 1.72522      0.631092  1.07187      0.615097  21.8274     301.666     12.1687     301.666     
1 1 1 8  1  55 o 13.9764 4.39267 0.235952     0.642791  0.0401116    0.636133  4.54327     45.7709     3.79826     225.771     
1 1 1 8  1  56 o 17.9577 4.62558 0.234408     0.625025  1.24662      0.60809   11.177      343.496     1.07876     343.496     
1 1 1 8  1  57 o 21.7647 4.94207 1.84574      0.685876  0.783112     0.676088  14.6227     334.269     1.16993     154.269     
1 1 1 8  1  58 o 14.9549 4.58259 0.640403     0.666255  0.161524     0.665131  4.61619     288.199     2.68836     108.199     
1 1 1 8  1  59 o 17.2482 4.78822 0.666279     0.640019  0.939409     0.62244   6.67637     350.773     1.18957     350.773     
1 1 1 8  1  60 o 15.3701 4.79057 0.686241     0.770172  0.419909     0.717145  5.85682     38.213      1.16685     218.213     
1 1 1 8  1  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  2  0  o 282.272 2.23567 146.102      3.27027   146.102      3.27027   170.984     5.03701e-06 223.875     180         
1 1 1 8  2  1  o 397.157 2.50272 290.459      5.15446   287.935      5.15019   380.639     191.214     24.9144     11.2141     
1 1 1 8  2  2  o 266.499 2.20246 129.005      3.04101   131.403      3.04386   336.894     282.729     163.19      282.729     
1 1 1 8  2  3  o 173.232 2.06867 53.7511      1.85563   56.289       1.85889   110.643     42.2308     106.924     222.231     
1 1 1 8  2  4  o 105.964 2.06656 20.5484      1.13643   20.6498      1.13159   67.2125     161.18      17.165      161.18      
1 1 1 8  2  5  o 374.572 2.4481  257.008      4.75423   257.452      4.75235   379.482     149.415     20.4836     149.415     
1 1 1 8  2  6  o 140.453 2.06867 37.9955      1.51042   34.3761      1.49948   138.507     77.4621     41.9914     77.4621     
1 1 1 8  2  7  o 291.108 2.2642  156.619      3.41937   154.102      3.41377   324.59      109.235     84.2213     109.235     
1 1 1 8  2  8  o 417.298 2.65738 311.142      5.9174    327.528      5.56148   392.929     260.39      37.9201     80.3898     
1 1 1 8  2  9  f 221.175 2.3048  91.5527      2.82888   87.8331      2.44931   265.654     336.454     0           0           
1 1 1 8  2  10 o 346.377 2.56294 218.533      4.60568   221.426      4.59749   343.659     261.938     9.3898      261.938     
1 1 1 8  2  11 o 56.9192 2.73022 6.31686      0.798586  5.62901      0.800668  29.6739     313.895     121.669     313.895     
1 1 1 8  2  12 o 224.096 2.7423  91.1822      3.18185   92.9942      3.189     269.87      44.4238     122.12      44.4238     
1 1 1 8  2  13 o 278.551 2.92107 140.677      3.77141   143.92       4.62954   228.693     48.6136     82.1344     228.614     
1 1 1 8  2  14 o 443.973 2.75658 364.987      6.12879   357.973      6.54759   473.779     131.597     78.8613     131.597     
1 1 1 8  2  15 o 179.107 2.14669 59.4594      1.98965   58.1754      1.99616   157         195.228     17.0171     15.2281     
1 1 1 8  2  16 o 165.721 2.22223 50.3656      1.84304   50.3483      1.97267   140.862     32.265      20.7985     212.265     
1 1 1 8  2  17 o 95.9164 2.36158 17.0464      1.17143   16.738       1.17322   28.1316     305.335     225.105     305.335     
1 1 1 8  2  18 o 160.374 2.30172 46.0676      1.90974   48.2848      1.91652   167.477     30.7792     53.8688     30.7792     
1 1 1 8  2  19 f 105.214 2.19454 20.5686      1.19837   20.0736      1.19268   126.062     33.2714     0           0           
1 1 1 8  2  20 o 91.6121 2.23395 16.9752      1.06624   13.9267      1.04629   47.9538     164.046     30.6999     344.046     
1 1 1 8  2  21 o 298.678 2.70397 165.836      4.18969   161.652      4.18258   259.518     96.4219     53.084      276.422     
1 1 1 8  2  22 o 102.877 2.78994 19.1994      1.49428   19.7241      1.47525   13.4364     86.0619     158.176     266.062     
1 1 1 8  2  23 o 168.967 2.33054 49.8458      2.0362    55.0183      2.04279   175.302     166.784     37.5341     166.784     
1 1 1 8  2  24 o 275.609 2.32564 142.826      3.32765   136.093      3.31619   308.576     277.954     91.4927     277.954     
1 1 1 8  2  25 o 110.441 2.21458 22.1069      1.2672    22.7113      1.26565   88.3783     174.055     26.5171     354.055     
1 1 1 8  2  26 o 139.093 2.3462  35.5288      1.68933   35.5297      1.6939    146.171     319.766     34.9281     319.766     
1 1 1 8  2  27 f 202.785 2.31633 75.7431      2.3494    75.3075      2.51685   157.574     311.788     0           0           
1 1 1 8  2  28 o 138.165 2.21247 34.9409      1.58119   35.1762      1.58792   118.025     349.41      19.8246     169.41      
1 1 1 8  2  29 o 77.5404 2.36192 11.6741      0.951558  10.4759      0.941081  62.317      283.316     9.05167     103.316     
1 1 1 8  2  30 o 85.139  2.33326 13.4557      1.02829   13.2211      1.02722   99.5677     296.748     62.0146     296.748     
1 1 1 8  2  31 o 200.491 2.27042 76.3095      2.36724   71.4424      2.35048   180.101     45.9283     13.3896     225.928     
1 1 1 8  2  32 o 49.1697 2.76774 4.65084      0.69751   4.30669      0.700693  19.6885     342.56      10.3501     342.56      
1 1 1 8  2  33 o 132.184 2.28492 31.8969      1.566     32.3517      1.56515   127.225     351.492     13.6275     351.492     
1 1 1 8  2  34 o 172.359 2.29152 57.0265      2.05566   52.3127      2.03691   177.9       216.211     40.4594     216.211     
1 1 1 8  2  35 o 60.6703 2.70135 6.04988      0.812434  7.62148      0.875416  57.71       267.783     26.2624     267.783     
1 1 1 8  2  36 o 52.3599 2.8047  5.02687      0.731515  5.15758      0.779344  47.6015     221.607     16.0613     221.607     
1 1 1 8  2  37 o 84.6535 2.71968 13.2074      1.24097   13.35        1.13658   74.9163     104.857     0.800552    284.857     
1 1 1 8  2  38 o 18.4573 4.26093 -0.258102    0.552609  1.15487      0.571943  0.13259     160.083     10.6992     340.083     
1 1 1 8  2  39 o 79.3388 2.75134 11.9553      1.17503   11.4815      1.08061   76.7316     283.796     13.4553     283.796     
1 1 1 8  2  40 o 45.0697 2.91843 4.02751      0.677242  3.61551      0.669918  35.8657     214.388     3.46083     34.3885     
1 1 1 8  2  41 o 66.1767 2.78171 8.94513      0.959688  7.49946      0.936161  45.0971     181.968     25.8108     1.968       
1 1 1 8  2  42 o 32.7218 3.97199 1.80283      0.659388  2.42221      0.627601  20.3976     204.807     12.4057     24.8074     
1 1 1 8  2  43 o 54.4246 2.95334 5.5727       0.830863  5.67296      0.822596  52.8637     336.343     12.2997     336.343     
1 1 1 8  2  44 f 46.1872 3.39145 4.33787      0.804898  3.91152      0.793954  49.1241     98.7359     0           0           
1 1 1 8  2  45 o 45.7244 3.21494 3.81113      0.753566  4.25526      0.747548  39.6984     270.088     1.48429     270.088     
1 1 1 8  2  46 o 17.4105 4.50333 0.624918     0.539162  0.437523     0.524922  4.2973      11.6467     16.9268     191.647     
1 1 1 8  2  47 o 51.0452 3.01473 5.47787      0.828139  4.62122      0.752939  48.5829     252.789     10.8707     252.789     
1 1 1 8  2  48 o 66.2258 2.9362  7.54813      0.981278  9.45926      1.0177    64.529      126.613     16.637      126.613     
1 1 1 8  2  49 o 26.2726 4.38902 1.49967      0.580115  1.44561      0.596408  23.2907     156.926     16.2421     156.926     
1 1 1 8  2  50 o 39.7514 3.44374 3.45549      0.694584  2.92443      0.690043  36.7622     348.364     8.51904     348.364     
1 1 1 8  2  51 f 58.6797 2.95077 7.11783      0.894336  6.50501      0.887693  30.4431     339.389     0           0           
1 1 1 8  2  52 o 26.5023 4.44055 1.05092      0.604572  2.17298      0.635261  21.8907     232.306     2.85972     232.306     
1 1 1 8  2  53 o 56.4302 3.09281 7.25803      0.910905  5.7745       0.877262  56.4933     227.689     20.4343     227.689     
1 1 1 8  2  54 o 14.4419 4.33654 0.269483     0.567328  0.284335     0.563525  3.43364     203.093     0.289864    203.093     
1 1 1 8  2  55 o 20.1305 5.11961 1.39424      0.701496  0.705391     0.713713  13.7048     7.04287     1.27346     7.04287     
1 1 1 8  2  56 o 10.262  3.51959 -0.520299    0.585099  -0.766087    0.583089  0.283724    78.4441     1.93919     258.444     
1 1 1 8  2  57 o 28.7134 4.82079 2.78259      0.719299  1.62012      0.736723  27.1056     268.101     13.0935     268.101     
1 1 1 8  2  58 o 16.4569 4.75112 0.219556     0.612021  1.10088      0.710059  6.72933     117.157     4.53234     297.157     
1 1 1 8  2  59 o 23.1324 5.20754 1.1878       0.785168  2.03485      0.714703  15.6059     27.0797     0.200309    207.08      
1 1 1 8  2  60 o 12.2038 4.05258 0.0194844    0.642392  -0.229783    0.66663   1.75077     62.7889     2.71372     242.789     
1 1 1 8  2  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  3  0  o 173.928 2.0682  55.495       1.86345   55.495       1.86345   153.899     5.86355e-06 40.2676     180         
1 1 1 8  3  1  o 418.794 2.6453  322.906      5.92636   320.242      5.55422   389.549     168.971     50.1798     348.971     
1 1 1 8  3  2  o 354.029 2.57284 231.462      5.04492   228.138      4.37924   399.047     16.1524     103.079     16.1524     
1 1 1 8  3  3  o 677.131 3.61601 847.025      13.5737   834.972      11.7578   653.926     34.2873     41.2369     214.287     
1 1 1 8  3  4  o 271.929 2.29327 137.72       3.34375   133.423      3.12037   305.454     285.481     85.4325     285.481     
1 1 1 8  3  5  o 193.057 2.16758 69.029       2.10003   67.6259      2.23464   154.356     188.891     57.9908     8.8914      
1 1 1 8  3  6  o 604.494 3.36658 667.828      9.76755   672.505      11.2812   694.869     284.428     190.273     284.428     
1 1 1 8  3  7  o 118.848 2.23174 24.8052      1.27165   27.0446      1.475     31.9212     288.847     150.403     108.847     
1 1 1 8  3  8  o 173.274 2.16827 57.1577      1.88572   52.9642      2.00105   153.934     132.634     13.0179     312.634     
1 1 1 8  3  9  o 430.689 3.00585 339.181      6.70833   341.135      6.71287   479.179     301.548     111.463     301.548     
1 1 1 8  3  10 o 240.045 2.51183 106.362      3.12813   104.937      3.12269   289.425     343.684     126.128     343.684     
1 1 1 8  3  11 o 237.051 2.51911 103.322      3.09551   102.741      3.0953    277.178     328.389     107.179     328.389     
1 1 1 8  3  12 o 109.232 2.48022 21.1893      1.40283   22.6217      1.401     72.7008     320.15      24.8577     140.15      
1 1 1 8  3  13 f 329.389 2.53658 197.984      4.3333    199.907      4.32862   289.093     352.503     0           0           
1 1 1 8  3  14 o 416.521 2.58887 318.608      5.592     317.667      5.58713   530.841     307.406     252.446     307.406     
1 1 1 8  3  15 o 315.906 2.35252 184.969      3.8578    181.026      3.84662   362.564     55.9156     117.602     55.9156     
1 1 1 8  3  16 o 81.7123 2.2586  12.643       0.956474  11.8869      0.952581  25.7878     345.785     20.3677     165.785     
1 1 1 8  3  17 o 159.353 2.22347 47.3169      1.77447   45.8226      1.89456   169.087     93.0249     61.2095     93.0249     
1 1 1 8  3  18 o 66.5633 2.54762 7.24594      0.861507  9.11027      0.883419  27.2528     216.018     150.757     216.018     
1 1 1 8  3  19 o 201.759 2.33869 74.8986      2.44774   74.4403      2.44402   138.567     91.5959     102.687     271.596     
1 1 1 8  3  20 o 176.869 2.24557 56.9921      1.99131   57.7812      2.12493   198.855     195.964     81.8697     195.964     
1 1 1 8  3  21 o 237.541 2.82748 103.407      3.49055   103.775      3.47242   244.976     272.184     41.67       272.184     
1 1 1 8  3  22 o 185.188 2.74431 63.0833      2.63824   62.8572      2.63049   217.957     343.123     95.4597     343.123     
1 1 1 8  3  23 o 209.159 2.21883 79.9512      2.40612   80.6233      2.40511   217.838     273.884     40.9872     273.884     
1 1 1 8  3  24 o 101.442 2.22114 17.2         1.15113   20.6938      1.17661   100.851     45.8919     21.5633     45.8919     
1 1 1 8  3  25 o 56.2057 2.50998 5.01569      0.712236  6.69553      0.733782  16.5606     264.242     60.2848     84.2415     
1 1 1 8  3  26 o 218.161 2.32099 88.8463      2.7189    85.9743      2.52968   227.732     273.168     43.197      273.168     
1 1 1 8  3  27 o 108.835 2.38826 21.3493      1.34021   22.2147      1.35103   105.168     348.544     13.7869     348.544     
1 1 1 8  3  28 o 176.992 2.22129 57.9162      2.03812   57.1527      2.0377    194.194     346.846     59.1091     346.846     
1 1 1 8  3  29 o 126.58  2.22817 30.079       1.46728   28.8069      1.45521   81.6694     120.536     70.5993     300.536     
1 1 1 8  3  30 o 101.637 2.29672 18.4118      1.20451   19.5939      1.21173   129.772     99.3601     87.334      99.3601     
1 1 1 8  3  31 f 148.486 2.24791 40.1293      1.72864   40.8943      1.73167   111.9       98.3225     0           0           
1 1 1 8  3  32 o 99.0946 2.33261 17.3553      1.19049   18.8014      1.20148   79.3761     349.223     20.0708     169.223     
1 1 1 8  3  33 o 93.0728 2.35337 15.7943      1.13492   16.1083      1.13208   90.7746     42.8331     17.3086     42.833      
1 1 1 8  3  34 o 83.1619 2.41485 12.6534      1.03945   12.8465      1.03804   66.2713     237.898     13.0908     57.8975     
1 1 1 8  3  35 o 134.826 2.3042  33.5564      1.61236   33.3779      1.60837   172.214     242.54      104.276     242.54      
1 1 1 8  3  36 o 112.536 2.34163 22.7332      1.36123   24.0001      1.36713   104.811     255.012     7.34824     255.012     
1 1 1 8  3  37 o 46.8503 3.07504 3.87144      0.739446  4.34519      0.734497  35.5009     265.609     7.36651     85.6095     
1 1 1 8  3  38 o 77.2064 2.83068 11.4706      1.13929   10.7107      1.11829   54.7227     339.178     28.0241     159.178     
1 1 1 8  3  39 o 19.1815 4.22439 1.08885      0.516541  0.203339     0.49908   0.977855    318.418     4.01292     138.418     
1 1 1 8  3  40 o 85.8214 2.45295 12.8028      1.07397   14.6171      1.10198   86.6276     287.039     22.0884     287.039     
1 1 1 8  3  41 o 27.5596 3.97385 2.143        0.542988  0.919236     0.559942  17.4504     45.8609     4.2629      225.861     
1 1 1 8  3  42 o 20.4843 4.3051  1.31777      0.548419  0.223147     0.547588  8.87925     5.94056     5.17377     185.941     
1 1 1 8  3  43 f 30.2786 4.16686 2.19802      0.668113  1.50211      0.594286  17.6589     140.456     0           0           
1 1 1 8  3  44 o 33.1411 4.54607 3.11608      0.732614  1.45635      0.760697  18.6321     269.495     18.1069     89.4947     
1 1 1 8  3  45 o 36.6441 4.11946 2.76998      0.810609  2.60634      0.700205  29.4129     334.05      2.43187     154.05      
1 1 1 8  3  46 o 79.5824 2.69127 11.0036      1.12093   13.1183      1.08165   72.2415     225.474     7.12651     225.474     
1 1 1 8  3  47 o 24.1872 4.15083 0.531612     0.549849  1.93342      0.571174  11.3628     249.278     15.7823     69.2777     
1 1 1 8  3  48 o 13.3033 4.06547 -0.397807    0.547155  0.285879     0.529114  2.86077     286.895     5.97268     106.895     
1 1 1 8  3  49 o 24.6951 4.6246  1.80059      0.630544  0.856768     0.623964  17.7315     252.253     2.18747     72.2529     
1 1 1 8  3  50 o 12.6907 3.90993 -0.36947     0.502336  0.257236     0.503649  0.574817    94.7049     14.6992     274.705     
1 1 1 8  3  51 o 34.2076 3.94866 2.83581      0.689953  2.13272      0.65633   33.6214     311.297     12.7927     311.297     
1 1 1 8  3  52 o 37.5587 3.73924 3.30659      0.702395  2.66767      0.703784  38.3573     231.656     16.5801     231.656     
1 1 1 8  3  53 f 15.5973 4.25713 -0.144696    0.548005  0.848635     0.540248  11.7342     267.625     0           0           
1 1 1 8  3  54 o 21.0174 4.79846 0.470016     0.661941  1.65837      0.659407  15.7875     341.671     2.92178     341.671     
1 1 1 8  3  55 f 11.4645 3.81635 -0.13844     0.617279  -0.482588    0.545859  2.52264     182.002     0           0           
1 1 1 8  3  56 o 19.5683 5.12665 0.763276     0.69309   1.32968      0.715775  12.6695     4.12338     0.434576    184.123     
1 1 1 8  3  57 o 14.8604 4.19352 -0.636445    0.580184  1.05373      0.595645  3.38191     24.0523     12.2742     204.052     
1 1 1 8  3  58 o 17.6863 4.76072 1.18449      0.636634  0.469117     0.62536   8.56717     6.67222     2.64983     186.672     
1 1 1 8  3  59 o 16.11   4.92218 0.649939     0.756998  0.627324     0.74712   6.45435     236.786     2.12847     56.786      
1 1 1 8  3  60 o 17.31   4.24789 -1.0853      0.637753  1.87721      0.686024  8.47613     81.167      2.93393     81.167      
1 1 1 8  3  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  4  0  o 447.384 3.03461 367.022      7.03596   367.022      7.03596   456.017     180         17.981      180         
1 1 1 8  4  1  o 278.402 2.47324 141.036      3.6955    143.17       3.43607   302.152     259.436     64.963      259.436     
1 1 1 8  4  2  o 152.088 2.12137 43.1364      1.72713   41.6762      1.6174    124.124     276.893     28.2128     96.8934     
1 1 1 8  4  3  o 492.301 2.86218 444.361      7.05992   444.435      7.54012   517.235     197.848     59.9378     197.848     
1 1 1 8  4  4  o 136.009 2.20744 34.2984      1.44929   33.5285      1.65404   110.11      178.824     17.9549     358.824     
1 1 1 8  4  5  o 361.946 2.49922 240.051      4.53806   240.32       4.83536   295.567     185.863     121.453     5.8634      
1 1 1 8  4  6  o 220.438 2.20503 89.5237      2.44179   88.6446      2.5943    211.012     307.932     1.83823     307.932     
1 1 1 8  4  7  o 367.468 2.80725 244.123      5.34252   251.105      5.35135   369.593     262.455     18.5081     262.455     
1 1 1 8  4  8  o 177.673 2.41131 56.726       2.21757   59.0378      2.22344   186.085     0.0218417   48.5962     0.0218417   
1 1 1 8  4  9  f 139.087 2.39796 34.1597      1.72344   36.8237      1.73129   169.743     158.542     0           0           
1 1 1 8  4  10 o 358.202 2.79253 233.017      5.17803   237.558      5.19193   344.703     68.3361     10.6344     248.336     
1 1 1 8  4  11 o 206.889 2.14775 79.6421      2.30536   77.3104      2.30094   159.081     320.707     74.9838     140.707     
1 1 1 8  4  12 o 328.321 2.52628 198.837      4.30425   196.475      4.29456   304.627     113.769     28.9097     293.769     
1 1 1 8  4  13 o 201.207 2.30172 74.0419      2.4036    74.4157      2.39765   248.344     269.153     134.91      269.153     
1 1 1 8  4  14 o 319.601 2.35253 190.008      3.90121   184.604      3.89308   335.515     164.531     54.1539     164.531     
1 1 1 8  4  15 o 137.867 2.13697 32.6695      1.51505   37.1029      1.53592   93.3006     201.895     59.042      21.8945     
1 1 1 8  4  16 o 116.457 2.15652 24.0906      1.29687   25.6943      1.3037    39.1071     162.009     127.358     342.009     
1 1 1 8  4  17 o 311.86  2.35348 176.111      3.80127   180.654      3.8074    272.356     229.809     55.7932     49.8087     
1 1 1 8  4  18 o 29.586  3.55362 1.60616      0.503618  1.69823      0.547423  23.5592     278.083     54.4578     278.083     
1 1 1 8  4  19 o 259.201 2.42476 118.973      3.24379   127.618      3.26982   283.354     237.085     77.7474     237.085     
1 1 1 8  4  20 o 149.8   2.72146 41.1664      2.11284   41.2632      2.11008   128.222     290.036     13.4108     110.036     
1 1 1 8  4  21 o 198.885 2.76391 70.3327      2.84528   74.9495      2.85159   176.162     282.751     21.0953     102.751     
1 1 1 8  4  22 o 55.6769 2.73969 6.05226      0.816938  5.39718      0.754966  24.7213     60.7929     137.663     60.7929     
1 1 1 8  4  23 o 132.066 2.17766 33.1825      1.49637   30.8588      1.48413   138.121     224.462     35.7751     224.462     
1 1 1 8  4  24 o 82.327  2.28207 11.6629      0.965663  13.2868      0.975775  78.4314     298.169     16.3429     298.169     
1 1 1 8  4  25 o 106.721 2.21578 20.4314      1.22352   21.4307      1.22486   134         207.249     85.9902     207.249     
1 1 1 8  4  26 o 119.412 2.20439 26.7005      1.36506   25.7044      1.36125   112.322     334.673     5.99634     334.673     
1 1 1 8  4  27 o 18.4659 4.21936 0.745062     0.465942  0.462315     0.465857  9.70543     132.835     23.7625     132.835     
1 1 1 8  4  28 o 112.648 2.40125 24.0932      1.40432   22.5907      1.3959    114.744     256.539     26.5831     256.539     
1 1 1 8  4  29 o 47.1627 2.7279  4.42376      0.670728  3.82228      0.649918  11.8537     5.39713     50.2577     185.397     
1 1 1 8  4  30 o 141.193 2.23574 35.5804      1.63264   37.6811      1.63914   146.042     205.486     32.7972     205.486     
1 1 1 8  4  31 o 50.4475 2.70733 5.39052      0.71004   4.07309      0.687112  34.6369     334.373     8.19072     154.373     
1 1 1 8  4  32 o 120.992 2.28373 26.9314      1.43162   26.9288      1.43042   131.688     131.307     44.9838     131.307     
1 1 1 8  4  33 o 87.6904 2.38351 14.4355      1.08132   13.898       1.0812    83.3741     214.572     13.3791     214.572     
1 1 1 8  4  34 o 22.8607 4.23463 0.938416     0.511621  1.07381      0.505208  1.08594     197.573     4.25626     197.573     
1 1 1 8  4  35 o 143.47  2.29384 37.512       1.70535   38.2996      1.70633   159.113     302.745     59.2034     302.745     
1 1 1 8  4  36 o 76.9846 2.46427 11.0685      0.983986  10.8453      0.97766   72.0455     179.681     9.30431     179.681     
1 1 1 8  4  37 o 40.7397 3.57109 3.82414      0.753115  2.52159      0.7036    38.4037     271.657     15.4185     271.657     
1 1 1 8  4  38 f 109.81  2.71129 20.936       1.52155   23.887       1.5573    119.691     265.148     0           0           
1 1 1 8  4  39 o 41.1259 3.02528 3.25529      0.63165   3.11756      0.638869  41.1027     251.347     22.3635     251.347     
1 1 1 8  4  40 o 19.9151 4.31537 0.752829     0.48447   0.77329      0.490621  1.908       248.529     2.58194     68.5294     
1 1 1 8  4  41 o 94.9519 2.41979 16.1952      1.18494   17.4293      1.19217   98.1879     198.202     29.0191     198.202     
1 1 1 8  4  42 o 37.6395 3.32555 2.47336      0.604226  2.98817      0.665017  32.0813     122.131     2.05756     122.131     
1 1 1 8  4  43 o 58.7532 3.17088 6.05659      0.943761  7.1558       0.969424  53.2768     55.2573     5.0454      55.2573     
1 1 1 8  4  44 o 27.9819 4.38235 1.44067      0.639654  1.7519       0.599658  19.3527     221.458     6.3901      41.458      
1 1 1 8  4  45 o 49.498  3.11992 3.77209      0.780839  5.74632      0.767084  47.9912     150.528     11.8033     150.528     
1 1 1 8  4  46 o 68.9099 2.6548  8.5069       0.940003  9.57451      0.9471    62.4427     22.1583     6.53327     22.1583     
1 1 1 8  4  47 o 27.9288 4.16725 1.95574      0.605327  1.30088      0.567073  19.5813     70.637      5.48804     250.637     
1 1 1 8  4  48 o 23.7931 4.59772 1.57058      0.590805  0.851166     0.61634   14.0731     292.817     8.62265     112.817     
1 1 1 8  4  49 o 28.2928 4.62114 2.05556      0.655183  1.42257      0.683586  21.8565     142.599     0.701699    322.599     
1 1 1 8  4  50 o 13.819  4.01851 0.542044     0.51471   -0.380498    0.499272  4.77503     333.326     4.18959     153.326     
1 1 1 8  4  51 o 17.9104 4.34485 -0.193395    0.582709  1.2356       0.583736  9.48242     334.354     4.68774     334.354     
1 1 1 8  4  52 o 20.4168 4.43402 0.140627     0.611412  1.60568      0.605871  16.0596     104.233     3.53465     104.233     
1 1 1 8  4  53 o 45.7621 3.44083 5.2787       0.813928  3.58031      0.770305  46.414      337.374     18.9067     337.374     
1 1 1 8  4  54 o 27.0144 4.93324 1.4789       0.720151  2.19656      0.698767  19.3225     199.279     2.48962     19.2785     
1 1 1 8  4  55 o 14.2914 4.41561 0.366148     0.665898  0.132949     0.570023  4.99856     299.29      5.30021     119.29      
1 1 1 8  4  56 o 17.7655 4.72691 1.3615       0.665811  -0.0269052   0.699769  8.99454     141.199     5.83332     321.199     
1 1 1 8  4  57 o 19.9238 5.00503 0.984326     0.653394  1.26886      0.653781  12.1938     115.608     1.64242     295.608     
1 1 1 8  4  58 o 15.2301 4.50033 0.229311     0.603231  0.74057      0.610181  3.99041     351.935     1.53938     171.934     
1 1 1 8  4  59 o 16.4574 4.66675 -0.400907    0.671177  1.45834      0.735263  2.63192     63.8198     0.657705    63.8198     
1 1 1 8  4  60 o 17.0643 5.0014  0.52341      0.774175  1.15671      0.726265  8.81353     351.676     1.97874     171.676     
1 1 1 8  4  61 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  5  0  o 22.0153 4.01398 1.04741      0.395857  1.04741      0.395857  0.0835833   179.977     0.178775    179.977     
1 1 1 8  5  1  o 463.17  2.68107 395.207      6.44023   391.48       6.43356   528.902     35.5601     144.748     35.5601     
1 1 1 8  5  2  o 267.823 2.20435 129.937      3.05802   133.069      3.06224   236.374     93.3285     46.9767     273.329     
1 1 1 8  5  3  o 182.632 2.08775 62.0268      1.97993   60.2705      1.97277   227.378     18.8129     140.099     18.8129     
1 1 1 8  5  4  o 573.416 3.22172 604.974      9.57617   601.048      9.57595   562.123     239.318     10.9063     59.3179     
1 1 1 8  5  5  o 411.996 2.92958 311.853      6.2593    310.666      6.25362   384.861     61.5473     41.0561     241.547     
1 1 1 8  5  6  o 407.011 3.04558 312.976      6.72967   294.741      6.12083   429.412     254.541     59.9723     254.541     
1 1 1 8  5  7  o 494.01  3.34751 447.515      8.9507    447.704      8.17584   492.501     82.2994     11.4268     82.2994     
1 1 1 8  5  8  o 593.057 3.55405 647.115      10.9294   643.228      10.9221   667.03      311.479     164.435     311.479     
1 1 1 8  5  9  o 289.588 2.60977 151.702      3.9153    155.849      3.9193    193.743     185.661     176.156     5.66053     
1 1 1 8  5  10 o 143.512 2.25656 37.2997      1.56447   38.2238      1.78797   71.4625     139.64      120.138     319.64      
1 1 1 8  5  11 o 594.203 3.34468 656.351      9.56054   639.045      10.9743   548.139     164.047     72.749      344.047     
1 1 1 8  5  12 o 406.202 2.83425 310.455      5.75352   294.855      6.16151   387.224     199.971     18.2316     19.9707     
1 1 1 8  5  13 o 574.612 3.25094 619.797      9.69165   591.8        9.67113   571.995     221.565     17.8752     221.565     
1 1 1 8  5  14 o 446.744 2.75557 372.107      6.16911   360.056      6.57861   547.955     283.698     228.341     283.698     
1 1 1 8  5  15 o 168.065 2.13408 53.2716      1.86305   50.3368      1.85442   146.719     353.987     12.9339     173.987     
1 1 1 8  5  16 o 552.812 2.98151 564.826      8.54821   556.676      8.53886   642.962     126.878     210.461     126.878     
1 1 1 8  5  17 o 128.033 2.13943 28.9955      1.41492   31.1497      1.42377   91.9598     267.324     60.0171     267.324     
1 1 1 8  5  18 f 251.488 2.24006 114.543      2.91618   117.489      2.92391   290.069     142.451     0           0           
1 1 1 8  5  19 o 145.85  2.3838  36.9028      1.7253    41.2155      1.88024   116.111     297.765     29.8615     117.765     
1 1 1 8  5  20 f 176.835 2.72964 58.1907      2.50999   56.6274      2.49406   121.965     43.1312     0           0           
1 1 1 8  5  21 o 262.307 2.89238 129.793      3.9388    122.995      3.92491   260.775     19.0475     22.4169     19.0474     
1 1 1 8  5  22 o 215.863 2.37411 86.0869      2.65806   84.9882      2.65488   214.421     282.809     20.281      282.809     
1 1 1 8  5  23 o 75.4706 2.31747 9.70647      0.898438  11.2749      0.90719   46.5045     168.011     38.7635     348.011     
1 1 1 8  5  24 o 159.492 2.18343 46.7951      1.80703   46.5975      1.80323   120.486     6.78217     59.4428     186.782     
1 1 1 8  5  25 o 125.949 2.20222 29.0825      1.4427    29.1698      1.4328    76.2783     216.691     81.9945     36.6907     
1 1 1 8  5  26 o 110.143 2.2174  22.4206      1.26847   22.1714      1.26095   67.0222     257.624     68.5819     77.6237     
1 1 1 8  5  27 o 188.759 2.22396 64.1398      2.17154   66.7492      2.18005   195.327     32.6642     38.1557     32.6642     
1 1 1 8  5  28 o 113.589 2.40701 23.6458      1.40954   23.8123      1.42176   92.3813     168.739     22.4762     348.739     
1 1 1 8  5  29 o 101.47  2.44524 19.6013      1.28504   18.2989      1.28243   89.5358     247.082     3.65245     67.0815     
1 1 1 8  5  30 o 127.229 2.25036 28.2416      1.47663   31.3003      1.48785   137.236     312.426     42.8856     312.426     
1 1 1 8  5  31 o 186.73  2.26619 63.5665      2.19117   64.6007      2.19579   216.694     145.453     89.0009     145.453     
1 1 1 8  5  32 f 40.1589 3.03111 3.05512      0.624933  2.95621      0.617496  40.6153     66.4603     0           0           
1 1 1 8  5  33 o 180.985 2.27826 59.0963      2.12943   61.4144      2.14497   168.01      188.218     4.20794     188.218     
1 1 1 8  5  34 o 89.1188 2.37753 14.9619      1.10218   14.3295      1.09034   67.7478     358.315     22.064      178.315     
1 1 1 8  5  35 o 48.0229 2.82931 4.84263      0.703752  3.76867      0.685098  31.7856     30.1351     13.0525     210.135     
1 1 1 8  5  36 o 22.6571 4.37781 0.650665     0.549962  1.31884      0.542787  10.0894     121.62      51.9096     121.62      
1 1 1 8  5  37 o 103.066 2.72228 19.3124      1.46234   20.1026      1.44031   118.09      141.297     52.3208     141.297     
1 1 1 8  5  38 o 100.247 2.55669 18.4026      1.32291   18.8981      1.32976   105.061     308.67      31.7087     308.67      
1 1 1 8  5  39 o 66.5659 2.53313 7.78937      0.861919  8.7232       0.878418  49.8757     0.691303    16.8171     180.691     
1 1 1 8  5  40 o 17.9215 4.21818 0.622892     0.458336  0.554328     0.459464  1.08033     320.75      3.6111      140.75      
1 1 1 8  5  41 o 20.9753 4.17111 0.514549     0.503054  1.19871      0.488497  4.23654     39.7756     21.3564     219.776     
1 1 1 8  5  42 o 39.5919 3.2186  3.95656      0.649097  2.18446      0.607246  34.9364     171.472     3.99454     171.472     
1 1 1 8  5  43 o 27.6004 4.76833 2.11375      0.7151    1.06455      0.672261  23.4178     74.7912     5.40671     74.7912     
1 1 1 8  5  44 o 58.3364 3.35104 6.07662      1.04026   7.05389      0.953379  56.3702     78.2276     12.367      78.2276     
1 1 1 8  5  45 o 13.8848 4.10664 0.275067     0.510008  -0.0519421   0.492314  0.269295    221.001     17.7851     41.0007     
1 1 1 8  5  46 o 42.4697 3.27612 2.60459      0.67362   4.56905      0.697937  26.5097     230.774     18.7884     50.7736     
1 1 1 8  5  47 o 41.4842 3.21462 3.76197      0.683624  3.00595      0.66936   33.1627     229.972     2.91626     49.9723     
1 1 1 8  5  48 o 38.1093 3.51609 2.40986      0.666328  3.4466       0.66664   34.7451     20.9866     7.1841      20.9867     
1 1 1 8  5  49 o 12.6632 3.8832  0.392014     0.540897  -0.720375    0.490232  1.93577     13.6858     2.30247     193.686     
1 1 1 8  5  50 o 18.9626 4.46244 1.16207      0.555864  0.267075     0.56515   13.4266     59.1422     3.98776     59.1422     
1 1 1 8  5  51 o 47.8379 3.22676 5.55463      0.801773  3.7832       0.759117  41.1947     126.829     3.61262     126.829     
1 1 1 8  5  52 o 17.6867 4.40053 1.12597      0.570383  0.133672     0.531438  12.3876     220.844     3.97435     220.844     
1 1 1 8  5  53 o 21.123  4.60853 0.614284     0.568048  1.52475      0.60892   13.6469     18.0657     3.67909     198.066     
1 1 1 8  5  54 o 12.2611 3.92802 -0.471142    0.563318  0.21153      0.550071  2.22584     160.064     6.84547     340.064     
1 1 1 8  5  55 o 20.0052 4.88151 0.417457     0.625589  1.65698      0.709566  13.261      266.3       0.2861      86.3005     
1 1 1 8  5  56 o 12.3479 4.0231  -0.518738    0.57254   0.26139      0.637398  2.81849     159.909     5.13571     339.909     
1 1 1 8  5  57 o 13.1559 4.09107 -0.465082    0.573241  0.574395     0.583665  2.17712     245.135     2.1999      65.1347     
1 1 1 8  5  58 o 11.6811 3.88645 -0.341965    0.623078  -0.102372    0.591617  0.591588    215.337     5.57508     35.3372     
1 1 1 8  5  59 o 21.3334 5.51837 1.37827      0.84426   1.67292      0.772881  13.4338     9.93505     1.13378     189.935     
1 1 1 8  5  60 o 19.4502 5.3846  1.58507      0.819054  0.988215     0.779453  10.6699     248.121     4.34833     68.1213     
1 1 1 8  6  0  o 808.046 4.37758 1197.62      18.3334   1197.62      18.3334   910.507     2.39488e-06 214.53      2.39488e-06 
1 1 1 8  6  1  o 456.618 3.05775 383.409      7.2408    381.308      7.23406   532.602     57.1857     168.312     57.1857     
1 1 1 8  6  2  o 347.625 2.72554 217.572      4.905     225.624      4.91653   369.464     104.441     60.8373     104.441     
1 1 1 8  6  3  o 323.212 2.66644 188.178      4.46223   194.945      4.47157   392.99      36.1353     160.925     36.1353     
1 1 1 8  6  4  o 123.923 2.36719 28.4972      1.5234    27.8561      1.51495   85.8807     211.646     40.4478     31.646      
1 1 1 8  6  5  o 244.29  2.49516 110.55       3.16361   108.292      3.15545   226.719     175.364     14.9495     355.364     
1 1 1 8  6  6  o 425.879 2.96584 334.917      6.55172   330.313      6.54278   371.677     313.425     92.8738     133.425     
1 1 1 8  6  7  o 204.755 2.28132 79.3498      2.43034   74.4188      2.41101   264.455     206.713     164.72      206.713     
1 1 1 8  6  8  o 86.0463 2.30839 12.8265      1.02636   14.3843      1.02654   32.6106     216.02      211.78      216.02      
1 1 1 8  6  9  o 322.134 2.3429  194.941      3.91969   185.64       3.90332   279.384     189.528     66.9421     9.52799     
1 1 1 8  6  10 o 192.577 2.12717 69.4179      2.12942   66.5827      2.11698   235.006     157.334     128.023     157.334     
1 1 1 8  6  11 o 258.164 2.21725 121.395      2.96865   123.008      2.96556   299.763     330.777     110.971     330.777     
1 1 1 8  6  12 o 275.844 2.44619 136.714      3.72809   142.375      3.23919   302.582     106.852     79.0068     106.852     
1 1 1 8  6  13 o 148.311 2.35608 40.0549      1.88037   40.6192      1.73842   110.806     262.765     45.1011     82.7646     
1 1 1 8  6  14 o 174.235 2.35877 55.7072      2.2025    55.6411      2.05577   110.477     324.294     103.575     144.294     
1 1 1 8  6  15 o 188.451 2.21828 64.1828      2.23157   66.0826      2.09792   99.1594     23.0628     156.624     203.063     
1 1 1 8  6  16 o 47.0469 2.65927 4.42885      0.622483  3.75877      0.656541  15.6861     122.866     53.6749     122.866     
1 1 1 8  6  17 o 73.3191 2.3532  9.03981      0.859385  10.7612      0.923976  7.32565     108.538     81.7176     288.538     
1 1 1 8  6  18 o 165.086 2.27979 48.4354      1.94737   51.5854      1.95316   197.304     148.588     111.95      148.588     
1 1 1 8  6  19 o 94.3469 2.33478 16.7627      1.14208   15.9489      1.13764   36.1752     5.15038     18.7191     5.15038     
1 1 1 8  6  20 o 25.6669 3.93435 1.4172       0.488463  1.10216      0.529089  103.199     319.665     236.47      319.665     
1 1 1 8  6  21 o 97.3547 2.81955 19.1234      1.42341   15.831       1.40797   74.6323     166.69      19.9948     346.69      
1 1 1 8  6  22 o 109.489 2.36985 23.0737      1.44823   21.0085      1.23798   86.2031     211.173     27.7631     31.1727     
1 1 1 8  6  23 o 299.635 2.36471 168.189      3.68107   161.55       3.66381   317.269     238.334     63.2692     238.334     
1 1 1 8  6  24 o 67.1787 2.35    7.97948      0.814965  8.64332      0.815626  56.0784     41.1067     6.79915     41.1066     
1 1 1 8  6  25 o 115.493 2.20965 24.496       1.31917   24.5262      1.32409   147.072     259.431     93.1493     259.431     
1 1 1 8  6  26 o 48.0193 2.67779 4.33077      0.680703  4.19941      0.641472  0.318778    176.638     76.6108     356.638     
1 1 1 8  6  27 o 147.277 2.20687 39.4457      1.68501   40.2311      1.68442   135.299     220.747     1.74339     40.7466     
1 1 1 8  6  28 o 27.7907 3.65741 1.65327      0.516987  1.29503      0.497071  18.7219     171.898     70.3407     171.898     
1 1 1 8  6  29 o 127.856 2.41927 31.8153      1.60943   28.3653      1.59143   120.897     343.752     7.84635     343.752     
1 1 1 8  6  30 o 172.575 2.3305  52.9585      2.0027    56.5464      2.16729   183.842     237.674     49.1213     237.674     
1 1 1 8  6  31 o 60.9689 2.55588 6.80862      0.810399  6.91637      0.797662  48.1218     159.398     4.08299     339.398     
1 1 1 8  6  32 o 94.5102 2.34045 16.1821      1.14794   16.7167      1.14134   80.7804     186.428     6.32498     6.42823     
1 1 1 8  6  33 o 21.5402 3.78142 1.59132      0.501626  0.143878     0.469506  18.3478     20.0374     55.9282     20.0374     
1 1 1 8  6  34 o 178.046 2.29295 60.9657      2.12804   55.8379      2.10234   190.005     73.6694     56.0624     73.6694     
1 1 1 8  6  35 o 72.3283 2.48227 9.4994       0.932131  9.85079      0.923181  49.6002     105.867     28.1379     285.867     
1 1 1 8  6  36 o 82.8211 2.77468 12.7709      1.19627   12.685       1.17934   84.5903     279.418     22.2689     279.418     
1 1 1 8  6  37 o 104.047 2.64128 20.7304      1.48723   19.4478      1.35729   88.6641     93.5042     9.14547     273.504     
1 1 1 8  6  38 o 59.8112 2.8082  7.435        0.8788    5.96681      0.847401  50.5698     252.192     2.3952      72.1916     
1 1 1 8  6  39 o 29.9944 3.68098 1.29793      0.534829  2.2432       0.553467  20.9781     317.8       5.50419     317.8       
1 1 1 8  6  40 o 37.0305 3.27958 3.43735      0.610851  1.91116      0.580862  25.8306     286.148     9.07396     106.148     
1 1 1 8  6  41 o 52.6327 2.75709 5.64225      0.756106  4.81777      0.735307  45.1771     218.467     0.0734333   38.4678     
1 1 1 8  6  42 f 12.1372 3.68962 0.277336     0.46445   -0.576616    0.444199  15.2432     39.439      0           0           
1 1 1 8  6  43 o 33.9041 4.02081 2.66749      0.689206  1.93516      0.666407  27.0123     306.546     1.93139     126.546     
1 1 1 8  6  44 o 29.7412 4.37314 1.92504      0.662352  1.68738      0.64239   12.2889     65.1617     24.9015     245.162     
1 1 1 8  6  45 o 67.5175 2.83518 9.02231      0.993192  8.39475      0.981732  71.0042     269.309     26.3849     269.309     
1 1 1 8  6  46 o 15.1219 3.78491 -0.532923    0.460296  0.867667     0.475886  5.77361     327.07      3.01736     147.07      
1 1 1 8  6  47 o 24.2466 4.41452 1.55371      0.57478   0.94919      0.560623  19.5336     47.489      3.21331     47.489      
1 1 1 8  6  48 o 10.4489 3.41304 -0.00408669  0.466986  -0.747636    0.427844  2.31555     202.032     15.0117     202.032     
1 1 1 8  6  49 o 35.4628 3.81678 3.361        0.681706  1.91235      0.643907  33.1524     152.509     9.24978     152.509     
1 1 1 8  6  50 o 12.5455 3.95207 -0.0878134   0.535091  -0.025774    0.504794  5.78822     273.914     29.6784     273.914     
1 1 1 8  6  51 o 28.9432 4.28755 1.6218       0.626141  2.0973       0.619996  18.1899     270.196     9.79028     90.1959     
1 1 1 8  6  52 o 18.083  4.29371 1.25403      0.557568  0.0402565    0.54239   10.7124     142.293     5.97343     142.293     
1 1 1 8  6  53 o 15.2087 4.38063 0.310754     0.549116  0.494009     0.542729  6.44461     294.553     0.465137    294.553     
1 1 1 8  6  54 o 34.4246 4.74129 2.56335      0.824719  3.22221      0.802422  30.4414     132.858     7.65193     132.858     
1 1 1 8  6  55 o 16.9164 4.44598 0.0485367    0.585013  1.13701      0.582514  8.87332     273.069     3.58924     93.0686     
1 1 1 8  6  56 o 16.5818 4.63484 1.1306       0.652739  0.0613341    0.624907  8.25379     344.808     3.1503      164.808     
1 1 1 8  6  57 o 21.2447 5.01109 1.37615      0.651637  1.20771      0.644881  12.47       212.964     3.69914     32.9637     
1 1 1 8  6  58 o 16.7391 4.84197 0.915526     0.670981  0.534526     0.680946  6.65596     102.13      6.28986     282.13      
1 1 1 8  6  59 o 14.756  4.54478 0.296721     0.674131  0.601169     0.642628  5.28126     356         2.56594     176         
1 1 1 8  6  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  7  0  o 35.045  3.18246 2.36054      0.551999  2.36054      0.551999  0.476293    359.999     1.16536     359.999     
1 1 1 8  7  1  o 281.186 2.56065 145.848      3.73361   144.1        3.7309    270.177     71.6305     2.23524     251.63      
1 1 1 8  7  2  o 137.118 2.35748 35.7014      1.68081   33.2838      1.66793   98.0943     349.58      46.7225     169.58      
1 1 1 8  7  3  o 476.181 3.12989 417.879      7.72972   413.855      7.72135   551.24      49.6923     169.802     49.6923     
1 1 1 8  7  4  o 542.936 3.35567 540.061      9.4443    541.347      9.44382   569.242     283.625     71.6872     283.624     
1 1 1 8  7  5  o 433.98  2.77784 346.888      6.25602   343.862      6.24188   417.752     19.6568     13.9238     199.657     
1 1 1 8  7  6  o 150.692 2.223   41.3416      1.74004   41.9259      1.73272   147.766     263.463     34.8861     263.463     
1 1 1 8  7  7  o 542.194 3.01893 533.653      8.20085   544.72       8.76439   510.768     59.4375     42.2909     239.437     
1 1 1 8  7  8  o 267.589 2.22521 132.174      3.09055   130.395      3.08243   250.164     188.305     12.8124     8.30472     
1 1 1 8  7  9  o 350.853 2.40227 224.772      4.36775   226.666      4.3701    309.743     171.08      61.6944     351.08      
1 1 1 8  7  10 o 273.145 2.23912 138.422      3.17234   135.187      3.16799   265.875     136.139     8.9076      136.139     
1 1 1 8  7  11 o 212.122 2.15355 82.7862      2.37034   82.2215      2.36554   206.649     131.483     16.2879     131.483     
1 1 1 8  7  12 o 271.003 2.32446 137.546      3.38472   131.849      3.1455    290.215     72.3701     64.9874     72.3701     
1 1 1 8  7  13 o 330.016 2.53229 198.937      4.33609   200.598      4.32764   367.572     104.969     102.147     104.969     
1 1 1 8  7  14 o 232.994 2.27218 100.448      2.65485   98.6833      2.82908   267.918     155.156     101.893     155.156     
1 1 1 8  7  15 o 57.5995 2.35984 6.11517      0.702468  6.09713      0.700666  15.9918     81.3914     89.2779     81.3914     
1 1 1 8  7  16 o 274.489 2.41167 138.951      3.44056   137.505      3.42227   239.295     97.4077     44.2073     277.408     
1 1 1 8  7  17 o 199.868 2.29972 73.6469      2.38881   72.9325      2.37636   219.519     5.83756     70.9225     5.83756     
1 1 1 8  7  18 o 202.141 2.31312 75.0024      2.42818   74.9521      2.41926   174.744     156.625     30.0312     336.625     
1 1 1 8  7  19 o 349.303 2.71245 221.961      5.08343   226.121      4.72909   354.307     33.7297     39.414      33.7298     
1 1 1 8  7  20 o 61.5009 2.60872 7.14417      0.858008  6.79827      0.797646  12.5941     3.65081     71.1854     183.651     
1 1 1 8  7  21 o 125.875 2.75303 29.6326      1.78497   28.6396      1.80257   114.715     308.319     2.55739     128.319     
1 1 1 8  7  22 o 92.2526 2.50371 15.0982      1.22955   16.2178      1.15548   41.2066     243.535     86.3718     63.5348     
1 1 1 8  7  23 o 21.8346 3.89863 0.379462     0.48308   1.41626      0.473143  48.8833     297.629     122.793     297.629     
1 1 1 8  7  24 o 74.3387 2.39452 9.41677      0.888862  10.9559      0.951392  70.8692     314.174     23.3365     314.174     
1 1 1 8  7  25 o 98.3806 2.30483 17.2535      1.13681   18.3491      1.21099   75.2165     339.225     26.7896     159.225     
1 1 1 8  7  26 o 164.195 2.26353 49.427       1.87129   49.6144      1.98044   126.184     169.518     53.6125     349.518     
1 1 1 8  7  27 o 70.7623 2.38477 9.27083      0.867664  9.172        0.876689  65.27       263.094     15.3235     263.094     
1 1 1 8  7  28 o 55.8347 2.53983 6.06574      0.739574  5.45135      0.722     31.1395     145.261     29.2544     325.261     
1 1 1 8  7  29 o 147.035 2.32679 37.5156      1.82114   42.0101      1.71365   141.763     197.316     13.0604     197.316     
1 1 1 8  7  30 o 127.425 2.44149 30.4537      1.6125    29.3121      1.60944   95.7065     337.112     41.7813     157.112     
1 1 1 8  7  31 o 97.8092 2.31334 18.2719      1.17393   16.9621      1.16749   98.063      136.071     23.2288     136.071     
1 1 1 8  7  32 o 78.0305 2.40841 11.0763      0.97435   11.3787      0.969035  63.3026     184.012     8.25811     4.01203     
1 1 1 8  7  33 o 77.2014 2.42042 11.5315      0.972664  10.4783      0.958644  80.5624     162.111     31.5378     162.111     
1 1 1 8  7  34 o 73.1658 2.45907 9.45673      0.923053  10.3392      0.935963  79.0361     284.73      34.4389     284.73      
1 1 1 8  7  35 o 190.107 2.45228 64.9114      2.40717   68.5671      2.42505   194.153     117.745     42.8847     117.745     
1 1 1 8  7  36 o 23.9252 4.41682 0.922074     0.559396  1.31457      0.557294  7.13788     341.544     14.0134     161.544     
1 1 1 8  7  37 o 83.0431 2.51036 13.2022      1.11935   12.4044      1.03708   74.6127     169.859     2.23254     169.859     
1 1 1 8  7  38 f 96.9942 2.55474 17.6693      1.28462   17.3223      1.27978   96.6231     333.704     0           0           
1 1 1 8  7  39 o 36.4364 3.19741 2.68852      0.599419  2.37204      0.581409  25.132      22.6366     8.8335      202.637     
1 1 1 8  7  40 o 73.0495 2.51327 10.8115      0.958439  9.17997      0.935906  66.0399     302.343     4.43085     302.343     
1 1 1 8  7  41 o 41.4179 3.04683 3.13824      0.651176  3.41031      0.635961  35.4807     311.841     1.47184     311.841     
1 1 1 8  7  42 o 38.8098 3.6499  2.76893      0.727989  3.11983      0.698649  21.2305     51.5808     23.4354     231.581     
1 1 1 8  7  43 o 16.8291 3.93303 1.07535      0.525311  -0.303704    0.448423  0.0695487   104.164     25.7446     104.165     
1 1 1 8  7  44 o 14.3127 4.09982 0.576266     0.536834  -0.555052    0.533187  4.86146     185.441     30.8302     185.441     
1 1 1 8  7  45 o 29.7949 4.33872 1.56594      0.666837  2.11353      0.627614  27.7937     67.8023     8.95487     67.8023     
1 1 1 8  7  46 o 35.9688 3.54229 2.04439      0.618985  3.16428      0.642619  29.7473     305.744     0.377707    305.744     
1 1 1 8  7  47 o 18.119  4.20035 0.105498     0.501933  1.08819      0.517968  9.29738     239.894     6.14923     59.8937     
1 1 1 8  7  48 o 71.5096 2.68791 9.91544      0.996769  9.81234      0.988767  66.9846     59.8083     13.558      59.8083     
1 1 1 8  7  49 o 25.9804 4.34852 1.69102      0.585046  1.25617      0.573533  19.5503     266.2       1.16486     86.2001     
1 1 1 8  7  50 o 28.7465 4.55151 2.4659       0.684345  1.29257      0.663309  16.8606     36.5764     12.203      216.576     
1 1 1 8  7  51 o 16.2112 4.35417 -0.134936    0.542019  0.952355     0.581568  7.11076     2.43999     8.4221      182.44      
1 1 1 8  7  52 o 18.2689 4.66326 0.687236     0.553703  0.836375     0.579107  8.94635     287.165     8.38203     107.165     
1 1 1 8  7  53 o 10.0714 3.40328 -1.01397     0.523834  -0.162772    0.506733  0.0283073   84.0691     6.3426      264.069     
1 1 1 8  7  54 o 16.2949 4.58278 0.747412     0.589664  0.391938     0.584459  8.25077     177.297     0.848789    357.297     
1 1 1 8  7  55 o 21.8119 4.78841 1.01928      0.60896   1.50125      0.609917  14.5247     116.212     1.99041     296.212     
1 1 1 8  7  56 f 22.8765 5.15233 1.72054      0.699765  1.29077      0.691568  16.9884     212.985     0           0           
1 1 1 8  7  57 o 16.6316 4.40529 -0.122743    0.585803  1.2775       0.608682  6.88243     58.1611     4.10048     238.161     
1 1 1 8  7  58 o 28.5933 5.18157 2.7276       0.788628  1.99166      0.772989  19.0715     238.05      3.80982     58.0497     
1 1 1 8  7  59 f 22.0471 5.01893 0.924367     0.692086  2.06818      0.713618  5.77109     200.76      0           0           
1 1 1 8  7  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  8  0  o 106     2.22488 20.6507      1.22005   20.6507      1.22005   50.4012     1.47915e-06 101.611     180         
1 1 1 8  8  1  o 83.3478 2.21387 13.2466      0.931826  12.2718      0.974513  17.0095     18.9029     7.761       198.903     
1 1 1 8  8  2  o 425.775 2.66075 328.73       5.67934   336.16       6.06291   504.105     101.121     180.085     101.121     
1 1 1 8  8  3  o 578.664 3.12416 612.155      9.06418   616.227      9.67011   619.029     317.997     104.103     317.997     
1 1 1 8  8  4  o 177.606 2.10015 57.0961      1.93052   58.573       1.93627   193.818     76.2112     70.2869     76.2112     
1 1 1 8  8  5  o 191.832 2.11971 67.2627      2.10978   67.6758      2.10578   169.285     91.5279     18.4932     271.528     
1 1 1 8  8  6  o 461.633 2.68144 387.607      6.41289   394.036      6.41975   435.382     294.702     30.0608     114.702     
1 1 1 8  8  7  o 463.659 2.693   392.083      6.47016   396.458      6.47455   511.397     25.5635     120.239     25.5635     
1 1 1 8  8  8  o 259.811 2.21306 123.17       2.98122   124.375      2.9796    221.056     17.3427     54.8685     197.343     
1 1 1 8  8  9  o 58.3911 2.36632 5.69206      0.710823  6.88229      0.710506  6.22569     302.03      47.546      302.03      
1 1 1 8  8  10 o 267.899 2.22591 130.799      3.08985   132.424      3.09224   179.488     53.8525     155.36      233.853     
1 1 1 8  8  11 o 328.542 2.35783 193.936      4.00742   202.035      4.02251   366.02      86.425      102.468     86.425      
1 1 1 8  8  12 o 103.443 2.22986 19.6399      1.23473   19.6454      1.15235   35.7224     93.8748     102.963     273.875     
1 1 1 8  8  13 o 229.628 2.43236 96.09        3.00469   97.3639      2.77982   169.412     140.335     96.1001     320.335     
1 1 1 8  8  14 o 100.988 2.22659 19.8218      1.12978   17.6597      1.19116   37.4356     59.6657     93.0862     239.666     
1 1 1 8  8  15 o 304.543 2.46499 170.738      3.89639   169.614      3.88621   311.097     163.82      41.6346     163.82      
1 1 1 8  8  16 o 142.341 2.26001 36.7442      1.66668   37.6042      1.66821   105.564     323.55      46.3858     143.55      
1 1 1 8  8  17 o 124.404 2.26592 28.0346      1.46308   28.8023      1.45659   116.151     297.292     16.4337     297.292     
1 1 1 8  8  18 o 284.274 2.30507 151.253      3.40051   145.402      3.39198   283.913     141.973     26.1291     141.973     
1 1 1 8  8  19 o 216.511 2.3481  86.1096      2.63415   85.9885      2.63642   217.471     203.862     25.5858     203.862     
1 1 1 8  8  20 o 110.328 2.41281 21.9483      1.32126   22.7963      1.43461   75.312      146.675     52.9165     326.675     
1 1 1 8  8  21 o 172.265 2.32798 53.7437      2.0782    55.2328      2.07907   125.862     165.983     73.3722     345.983     
1 1 1 8  8  22 o 91.6474 2.32263 15.4866      1.05691   15.4011      1.14427   101.753     101.413     48.7956     101.413     
1 1 1 8  8  23 o 167.44  2.35405 50.6012      2.03876   52.3953      2.04726   173.814     232.209     35.7256     232.209     
1 1 1 8  8  24 o 27.2933 3.79974 1.02218      0.532627  1.85713      0.49746   11.4108     39.934      42.3714     39.934      
1 1 1 8  8  25 o 192.097 2.22248 68.7086      2.22029   66.8467      2.20565   191.647     225         25.0366     225         
1 1 1 8  8  26 o 20.5631 4.05617 0.646878     0.466073  0.949206     0.442337  19.2897     225.145     52.1066     225.145     
1 1 1 8  8  27 o 66.7726 2.48514 8.17752      0.884897  8.25761      0.828073  51.3497     286.09      9.6278      106.09      
1 1 1 8  8  28 o 112.052 2.32323 22.8314      1.38785   23.356       1.30567   104.621     327.629     6.14374     327.629     
1 1 1 8  8  29 o 84.4884 2.46554 12.9487      1.07752   13.35        1.07722   76.7969     3.41075     5.16442     3.41075     
1 1 1 8  8  30 o 132.873 2.52843 34.0222      1.683     31.0061      1.78844   122.077     159.377     2.53332     159.377     
1 1 1 8  8  31 o 60.5499 2.83981 6.39632      0.853276  7.18812      0.919646  54.8234     42.2566     18.061      42.2566     
1 1 1 8  8  32 f 55.8719 2.67396 5.77913      0.748681  5.78157      0.790435  37.1144     267.784     0           0           
1 1 1 8  8  33 o 66.2905 2.57188 8.57666      0.864138  7.69337      0.892639  60.262      0.09737     8.73192     0.09737     
1 1 1 8  8  34 o 56.8403 2.77117 6.40716      0.81327   5.60944      0.807167  30.2885     221.425     38.0412     41.4249     
1 1 1 8  8  35 o 73.2284 2.59051 9.55078      0.975913  10.3462      0.983541  49.2618     3.29775     31.5977     183.298     
1 1 1 8  8  36 o 25.0909 4.18505 1.20033      0.53619   1.26544      0.534826  8.33377     4.30904     16.5881     184.309     
1 1 1 8  8  37 o 60.7341 2.69711 6.20428      0.859513  7.59142      0.817892  62.8852     23.1166     22.1514     23.1166     
1 1 1 8  8  38 o 84.0264 2.61115 13.4406      1.13124   12.8899      1.13728   86.4776     308.625     25.6198     308.625     
1 1 1 8  8  39 o 87.4868 2.42947 15.3661      1.10881   13.2167      1.08709   70.4984     118.618     13.156      298.618     
1 1 1 8  8  40 o 37.6725 3.18418 2.92722      0.606755  2.51581      0.608463  40.9708     236.366     24.1888     236.366     
1 1 1 8  8  41 o 46.1611 3.05938 3.60111      0.715375  4.56447      0.72319   30.5041     14.3315     18.0908     194.332     
1 1 1 8  8  42 o 43.2982 3.26641 3.71026      0.72556   3.51885      0.717779  36.8534     146.38      0.335831    146.38      
1 1 1 8  8  43 o 15.0706 4.13396 0.299284     0.463158  0.33788      0.460273  3.66304     151.598     12.0661     331.598     
1 1 1 8  8  44 o 28.6857 4.14679 2.1578       0.604205  1.24752      0.589863  28.5205     44.6437     13.81       44.6437     
1 1 1 8  8  45 f 49.8237 3.45108 4.78094      0.87323   4.98537      0.886425  41.0192     188.451     0           0           
1 1 1 8  8  46 o 17.9316 4.31241 0.266117     0.494384  0.941212     0.518702  3.86145     175.93      18.9553     355.93      
1 1 1 8  8  47 o 63.2116 2.75982 7.43853      0.897607  7.9988       0.901262  56.9434     321.706     7.53852     321.706     
1 1 1 8  8  48 o 17.0728 4.36013 0.780884     0.520825  0.316194     0.494835  5.73947     70.3352     12.921      250.335     
1 1 1 8  8  49 o 15.7777 4.27152 0.682564     0.510935  0.117267     0.509843  7.455       5.49754     5.42725     185.498     
1 1 1 8  8  50 o 25.2239 4.50212 1.75313      0.611761  1.14779      0.579615  14.7892     6.08773     9.93429     186.088     
1 1 1 8  8  51 o 58.4254 3.24381 6.4697       0.955871  7.59129      0.990125  51.7437     37.4545     7.51542     37.4546     
1 1 1 8  8  52 o 19.8085 4.60926 0.613287     0.567445  1.2431       0.573096  14.864      171.227     4.68929     171.227     
1 1 1 8  8  53 o 22.5668 5.1059  1.16395      0.700485  1.51379      0.667518  18.208      211.353     8.15198     211.353     
1 1 1 8  8  54 o 21.4196 4.75133 0.853365     0.611759  1.52409      0.60882   15.4989     307.771     1.59377     307.771     
1 1 1 8  8  55 o 22.4208 4.78963 0.914071     0.646226  1.78583      0.633056  17.9667     183.95      6.21384     183.95      
1 1 1 8  8  56 o 26.9437 5.03389 2.20079      0.713889  1.79781      0.722296  23.9522     122.07      11.8833     122.07      
1 1 1 8  8  57 o 15.3717 4.07798 1.27364      0.594614  -0.756582    0.536635  5.55282     24.0947     3.93859     204.095     
1 1 1 8  8  58 o 25.6297 5.01936 0.779873     0.760452  3.30353      0.869019  21.2048     131.498     7.60122     131.498     
1 1 1 8  8  59 o 19.2877 5.0878  1.39035      0.676059  0.93418      0.727541  10.7392     25.4804     4.02089     205.48      
1 1 1 8  9  0  f 634.22  3.19232 737.657      10.4937   737.657      10.4937   475.339     7.55209e-06 0           0           
1 1 1 8  9  1  o 223.201 2.14393 89.2608      2.47629   93.4513      2.48388   207.347     339.091     6.00775     159.091     
1 1 1 8  9  2  o 94.3228 2.12026 17.3937      1.03884   15.2978      1.0292    26.1698     0.906002    99.3093     180.906     
1 1 1 8  9  3  o 334.68  2.34788 203.983      4.07089   206.815      4.07539   343.87      268.353     42.9079     268.353     
1 1 1 8  9  4  o 207.123 2.12741 80.1616      2.28712   77.1721      2.28053   254.735     58.7444     135.263     58.7444     
1 1 1 8  9  5  o 249.361 2.18791 113.028      2.82672   115.013      2.82927   267.384     313.836     63.9891     313.836     
1 1 1 8  9  6  o 304.437 2.2914  169.045      3.61225   170.879      3.61974   391.852     327.144     206.96      327.144     
1 1 1 8  9  7  o 268.752 2.22464 133.054      3.10044   131.85       3.09783   287.103     255.872     64.288      255.872     
1 1 1 8  9  8  o 329.007 2.35048 196.7        4.00465   200.356      4.01236   227.795     25.5994     179.368     205.599     
1 1 1 8  9  9  o 55.5616 2.36669 6.08385      0.679778  5.29515      0.674895  10.1964     24.8306     56.9964     24.8306     
1 1 1 8  9  10 o 109.225 2.11697 23.2001      1.20312   20.6279      1.1894    75.9395     145.014     29.5189     145.014     
1 1 1 8  9  11 o 114.534 2.10833 24.7337      1.25438   23.4253      1.24642   41.6901     19.4316     116.693     199.432     
1 1 1 8  9  12 o 417.821 2.66898 318.107      5.97004   322.584      5.58149   381.766     353.071     41.7182     173.071     
1 1 1 8  9  13 o 165.588 2.27618 48.9534      1.95494   51.6677      1.95137   133.104     329.307     36.6779     149.307     
1 1 1 8  9  14 o 52.2318 2.53241 4.64415      0.681593  5.43168      0.677651  5.19375     41.9126     44.5842     41.9126     
1 1 1 8  9  15 o 46.6899 2.61533 4.31812      0.641779  3.74523      0.613025  1.62046     76.33       11.5183     76.33       
1 1 1 8  9  16 o 134.949 2.13382 34.5082      1.49704   32.3392      1.48739   69.3354     61.5393     110.322     241.539     
1 1 1 8  9  17 o 238.886 2.21781 103.34       2.74302   106.129      2.74926   255.517     153.341     59.0817     153.341     
1 1 1 8  9  18 o 314.857 2.5192  184.106      4.11278   179.972      4.10999   317.677     122.839     34.2232     122.839     
1 1 1 8  9  19 f 283.491 2.45366 147.931      3.60299   147.223      3.60829   266.804     177.649     0           0           
1 1 1 8  9  20 o 104.028 2.53859 20.4503      1.36701   19.3602      1.36595   103.602     16.8911     20.878      16.8911     
1 1 1 8  9  21 o 120.395 2.34026 26.6026      1.46301   26.6769      1.4552    104.87      202.474     11.2513     22.4737     
1 1 1 8  9  22 o 135.155 2.18089 34.292       1.53153   32.7989      1.52388   119.621     295.1       10.2978     115.1       
1 1 1 8  9  23 o 265.652 2.38827 128.839      3.16784   130.454      3.40661   283.698     150.075     67.7361     150.075     
1 1 1 8  9  24 o 77.23   2.49886 10.4282      0.98482   11.5536      1.00973   51.1373     218.76      32.3515     38.7603     
1 1 1 8  9  25 o 128.975 2.20797 29.43        1.47321   31.7169      1.47641   129.824     9.83032     24.4768     9.83032     
1 1 1 8  9  26 o 58.3485 2.46714 6.32352      0.742582  6.23579      0.742964  39.3301     175.259     16.1989     355.259     
1 1 1 8  9  27 o 70.1872 2.39838 8.77135      0.869604  9.38479      0.869619  69.6728     81.2025     23.4911     81.2025     
1 1 1 8  9  28 o 160.897 2.30686 47.8555      1.98249   47.3139      1.86425   114.495     114.441     67.7234     294.441     
1 1 1 8  9  29 o 62.9882 2.48153 6.93109      0.808142  7.7215       0.803787  24.5222     222.13      59.9957     42.1304     
1 1 1 8  9  30 f 198.622 2.27631 74.3633      2.34901   70.7789      2.33743   143.689     77.3843     0           0           
1 1 1 8  9  31 o 100.34  2.5174  18.3213      1.30732   18.8176      1.30705   117.118     173.87      60.9321     173.87      
1 1 1 8  9  32 o 64.0743 2.69999 7.0844       0.875146  8.13823      0.908933  65.3144     206.574     27.4392     206.574     
1 1 1 8  9  33 o 137.871 2.49673 35.731       1.84452   34.483       1.7208    138.66      185.991     28.5434     185.991     
1 1 1 8  9  34 o 48.0998 3.09248 3.3715       0.750771  5.40556      0.731449  40.0017     233.885     0.916337    53.885      
1 1 1 8  9  35 o 58.4681 2.90273 5.33903      0.876619  7.50955      0.844066  36.8308     101.014     28.4415     281.014     
1 1 1 8  9  36 o 56.4207 2.9945  6.5557       0.878132  5.39851      0.855904  63.5876     108.913     33.7398     108.913     
1 1 1 8  9  37 o 38.7573 3.24667 2.74224      0.641307  2.96478      0.636669  36.7833     156.494     15.7568     156.494     
1 1 1 8  9  38 o 65.0988 2.74174 8.28167      0.919998  7.61078      0.920605  67.1383     0.878636    22.0994     0.878637    
1 1 1 8  9  39 o 22.6198 3.94641 0.458061     0.472325  1.60329      0.516042  9.33674     148.475     2.59919     148.475     
1 1 1 8  9  40 o 34.6878 3.70581 3.18421      0.635334  1.63983      0.611126  26.1387     101.409     4.76769     281.409     
1 1 1 8  9  41 o 44.1788 3.24022 3.65119      0.706851  3.86255      0.755765  31.1448     238.444     13.0397     58.444      
1 1 1 8  9  42 o 10.3733 3.38808 -0.130931    0.442845  -0.550999    0.422037  4.61183     142.541     20.7181     142.541     
1 1 1 8  9  43 o 44.4891 2.98609 3.39246      0.676499  4.24045      0.676067  43.1642     21.9422     11.6239     21.9422     
1 1 1 8  9  44 o 48.6542 3.127   4.10184      0.766929  5.10835      0.786688  42.016      263.063     1.93499     263.063     
1 1 1 8  9  45 o 44.6812 3.44441 3.95519      0.746708  3.93213      0.820024  43.0456     108.138     11.9194     108.138     
1 1 1 8  9  46 o 13.1846 3.94189 -0.37299     0.510562  0.358834     0.482242  0.0333496   230.211     16.6946     230.211     
1 1 1 8  9  47 o 27.176  4.19443 2.09265      0.594154  1.08709      0.570328  22.0535     253.621     2.05953     253.621     
1 1 1 8  9  48 o 30.7896 4.00856 2.24445      0.609131  1.76842      0.619049  28.5301     59.8384     8.7467      59.8384     
1 1 1 8  9  49 o 23.9882 3.83326 0.0990866    0.552722  2.41326      0.591035  20.7701     293.469     5.80831     293.469     
1 1 1 8  9  50 o 13.4598 3.89233 -0.546867    0.484049  0.626477     0.504454  5.52561     67.3955     2.089       247.395     
1 1 1 8  9  51 o 26.4579 4.81651 1.3764       0.673006  2.01385      0.675058  17.3996     208.566     6.14287     28.5662     
1 1 1 8  9  52 o 14.5689 4.40682 0.272079     0.556478  0.294791     0.626369  4.74583     274.083     8.11328     94.0828     
1 1 1 8  9  53 o 14.1645 4.25372 -0.255338    0.578199  0.634003     0.582388  4.56391     21.2113     6.83578     201.211     
1 1 1 8  9  54 o 17.2596 4.58533 1.11938      0.60452   0.262739     0.583992  4.89649     272.207     14.5243     92.2067     
1 1 1 8  9  55 o 18.813  4.68413 0.160453     0.594485  1.6557       0.690589  10.5289     60.595      4.07093     60.595      
1 1 1 8  9  56 o 14.6862 4.57146 0.138885     0.613992  0.60554      0.733657  3.75232     195.67      6.90421     15.6703     
1 1 1 8  9  57 o 13.0202 4.20967 0.177494     0.645239  -0.0195078   0.627823  2.2147      170.343     3.2906      350.343     
1 1 1 8  9  58 o 17.8535 4.66095 1.64722      0.692485  0.0313629    0.624967  8.10703     305.224     3.32227     305.224     
1 1 1 8  9  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  10 0  o 121.387 2.08272 27.0595      1.30875   27.0595      1.30875   123.943     180         32.2722     180         
1 1 1 8  10 1  o 170.169 2.09171 52.9727      1.84328   53.2282      1.84686   128.998     297.996     54.5725     117.996     
1 1 1 8  10 2  o 131.446 2.07476 31.3546      1.41368   32.0136      1.41353   115.53      245.87      12.296      245.87      
1 1 1 8  10 3  o 203.053 2.11711 72.6156      2.2224    78.6618      2.232     197.083     184.92      17.7654     184.92      
1 1 1 8  10 4  o 87.0415 2.11425 14.0624      0.956308  13.758       0.948686  38.6375     18.3467     21.0617     198.347     
1 1 1 8  10 5  o 223.801 2.14889 94.5313      2.49999   89.2159      2.4847    174.59      267.757     73.2626     87.7575     
1 1 1 8  10 6  o 195.302 2.11758 69.2337      2.14409   70.6714      2.14326   254.806     122.62      178.519     122.62      
1 1 1 8  10 7  o 272.284 2.2257  137.845      3.14811   134.125      3.13437   244.18      2.70949     29.5294     182.71      
1 1 1 8  10 8  o 172.311 2.11068 53.897       1.88647   55.0148      1.88383   148.123     348.527     17.8182     168.527     
1 1 1 8  10 9  o 358.28  2.42557 239.396      4.51158   231.629      4.49718   380.623     71.9456     75.5981     71.9456     
1 1 1 8  10 10 o 181.127 2.11916 60.5728      1.99288   59.78        1.98639   185.998     208.094     43.1754     208.094     
1 1 1 8  10 11 o 177.644 2.11328 58.2556      1.94855   57.5196      1.94337   160.483     344.782     5.59665     164.782     
1 1 1 8  10 12 o 320.165 2.60592 185.876      4.48908   190.422      4.14921   335.143     334.984     59.7603     334.984     
1 1 1 8  10 13 o 91.7047 2.49413 15.0163      1.19084   15.9064      1.17467   69.8259     66.9076     22.5269     66.9076     
1 1 1 8  10 14 o 106.913 2.27504 20.4951      1.26041   21.5016      1.25771   101.986     296.963     27.3634     296.963     
1 1 1 8  10 15 o 39.4959 2.62195 2.53882      0.522173  3.26319      0.532913  4.31827     303.102     29.0708     303.102     
1 1 1 8  10 16 o 234.538 2.20303 98.4469      2.67187   103.502      2.68382   230.701     171.604     16.6998     171.604     
1 1 1 8  10 17 o 94.6119 2.25966 14.4266      1.06313   18.6073      1.14551   71.7126     204.939     27.2682     24.9392     
1 1 1 8  10 18 o 109.797 2.2978  23.4597      1.31055   20.8834      1.29939   46.518      163.027     110.509     343.027     
1 1 1 8  10 19 o 56.0132 2.53284 5.44285      0.727875  6.14178      0.733416  24.5522     311.534     40.5006     131.534     
1 1 1 8  10 20 f 201.106 2.35047 73.4182      2.44882   75.1462      2.45144   166.267     80.9744     0           0           
1 1 1 8  10 21 o 104.536 2.35088 19.6503      1.27011   20.5403      1.274     104.886     252.985     23.7275     252.985     
1 1 1 8  10 22 o 67.2198 2.3257  8.17463      0.806739  8.46646      0.80892   53.7335     68.8409     30.4478     68.8409     
1 1 1 8  10 23 o 197.293 2.2159  70.761       2.26558   72.2268      2.2666    171.535     254.851     24.9949     74.8505     
1 1 1 8  10 24 o 157.015 2.36302 46.3956      1.9271    44.2134      1.91878   113.934     314.176     63.1365     134.176     
1 1 1 8  10 25 o 137.723 2.38752 34.7208      1.70181   34.9928      1.70709   136.121     245.312     20.1801     245.312     
1 1 1 8  10 26 o 170.227 2.22543 52.4313      1.95982   54.057       1.96733   158.271     320.5       2.3489      320.501     
1 1 1 8  10 27 o 118.785 2.24611 27.0698      1.38615   24.8552      1.37588   128.717     289.707     43.813      289.707     
1 1 1 8  10 28 o 107.326 2.27228 23.087       1.27161   19.386       1.24842   116.863     55.9381     43.5906     55.9381     
1 1 1 8  10 29 o 72.4914 2.42886 9.85572      0.90993   9.52955      0.91004   68.7119     32.5815     16.9661     32.5815     
1 1 1 8  10 30 o 81.1654 2.37922 11.9786      0.998845  12.3207      0.998665  79.9996     231.422     21.7599     231.422     
1 1 1 8  10 31 o 25.4947 3.86433 2.03124      0.548852  0.578085     0.484916  12.0195     54.7264     57.0749     54.7264     
1 1 1 8  10 32 f 76.9934 2.78987 10.4907      1.09489   11.4944      1.12393   49.1358     100.304     0           0           
1 1 1 8  10 33 o 94.2814 2.59426 15.3996      1.192     17.5617      1.34016   95.0044     336.032     21.9857     336.032     
1 1 1 8  10 34 o 43.3695 2.97141 3.72142      0.683147  3.33591      0.636368  25.2107     143.605     22.7435     323.606     
1 1 1 8  10 35 o 38.4326 3.33148 3.2073       0.653733  2.42115      0.636113  18.2767     133.968     27.2296     313.968     
1 1 1 8  10 36 o 22.5857 4.00381 0.3455       0.516336  1.63379      0.520472  7.11356     231.819     5.85171     51.8191     
1 1 1 8  10 37 o 55.8026 2.97877 5.48183      0.877684  6.25738      0.824609  48.73       110.569     1.88238     110.569     
1 1 1 8  10 38 o 54.3338 3.0825  4.71289      0.868929  6.54352      0.822811  42.2178     248.142     9.08852     68.1418     
1 1 1 8  10 39 o 13.8056 3.96081 0.423407     0.492201  -0.165353    0.430591  2.01993     323.709     18.7886     323.709     
1 1 1 8  10 40 o 53.1362 3.0763  4.61617      0.852193  6.22146      0.800537  56.975      145.296     23.7323     145.296     
1 1 1 8  10 41 o 59.3411 3.03022 6.62704      0.970598  6.81557      0.876333  57.4651     111.087     13.0079     111.087     
1 1 1 8  10 42 o 43.4818 3.58726 3.18722      0.835863  4.24499      0.698063  36.1043     344.741     1.1167      164.741     
1 1 1 8  10 43 o 23.3291 4.56596 1.14289      0.587703  1.13513      0.554399  19.4324     178.418     6.82098     178.418     
1 1 1 8  10 44 o 31.553  4.31767 2.09063      0.70207   2.03847      0.659086  21.7941     180.926     7.67343     0.926127    
1 1 1 8  10 45 o 32.6721 3.89887 2.49511      0.647695  1.88623      0.621284  35.5376     204.401     21.4822     204.401     
1 1 1 8  10 46 o 38.3097 3.90657 2.53573      0.722297  3.51153      0.774601  35.0435     281.518     7.89048     281.518     
1 1 1 8  10 47 o 41.6193 3.36453 3.48733      0.711624  3.4795       0.71402   30.8488     71.8754     6.8245      251.875     
1 1 1 8  10 48 o 10.9678 3.55392 -0.0412172   0.47144   -0.433466    0.452304  1.15916     12.1288     2.91014     192.129     
1 1 1 8  10 49 o 33.1321 3.92836 2.26241      0.653158  2.44884      0.647412  30.3203     9.89557     8.11615     9.89558     
1 1 1 8  10 50 o 33.7305 3.89369 2.59243      0.662419  2.35989      0.651568  23.8869     275.142     6.23731     95.1415     
1 1 1 8  10 51 o 30.7818 4.3937  1.85886      0.704939  2.54253      0.64425   24.9121     25.8069     2.09218     25.8069     
1 1 1 8  10 52 o 27.5841 5.27522 1.39908      0.80599   2.70103      0.819074  18.9486     305.195     3.78789     125.195     
1 1 1 8  10 53 o 12.2082 3.94549 0.27203      0.600056  -0.535784    0.541684  2.46418     113.89      5.55059     293.89      
1 1 1 8  10 54 o 15.8466 4.51796 0.709432     0.575258  0.41035      0.57926   7.41789     98.8919     0.764096    278.892     
1 1 1 8  10 55 o 11.3954 3.76409 -0.105226    0.569431  -0.248602    0.528719  0.296993    18.031      1.60575     198.031     
1 1 1 8  10 56 o 16.632  4.79267 0.723161     0.65092   0.69608      0.650724  5.45286     204.316     0.380399    204.316     
1 1 1 8  10 57 o 13.844  4.32108 -0.172972    0.634651  0.63213      0.630594  3.62078     285.008     6.9152      105.008     
1 1 1 8  10 58 o 13.2259 4.10862 -0.446193    0.582263  0.675819     0.591166  2.70003     136.295     0.768883    316.295     
1 1 1 8  11 0  o 422.875 2.55901 327.979      5.60845   327.979      5.60845   506.221     5.63414e-06 189.971     5.63414e-06 
1 1 1 8  11 1  o 128.589 2.08411 29.4102      1.38264   31.2554      1.39508   109.269     142.404     4.26296     142.404     
1 1 1 8  11 2  o 153.797 2.08234 42.8456      1.65694   43.9206      1.6631    84.0216     20.7674     113.089     200.767     
1 1 1 8  11 3  o 283.755 2.24245 151.657      3.30612   143.779      3.28924   286.104     66.1087     34.3556     66.1088     
1 1 1 8  11 4  o 278.218 2.22611 144.878      3.2143    139.123      3.20575   287.305     178.571     48.2479     178.571     
1 1 1 8  11 5  o 89.2915 2.14638 14.2481      0.992327  15.0397      0.991098  21.0674     158.919     101.659     338.919     
1 1 1 8  11 6  o 201.305 2.12223 75.4369      2.21827   73.234       2.21049   175.467     346.82      23.7872     166.82      
1 1 1 8  11 7  o 124.631 2.0984  27.9208      1.35383   29.0691      1.35709   108.91      198.372     7.74167     198.372     
1 1 1 8  11 8  o 209.073 2.13614 77.387       2.30964   83.0375      2.31859   255.816     64.9251     129.097     64.9251     
1 1 1 8  11 9  o 212.715 2.14472 82.2896      2.3659    83.7356      2.36361   199.712     295.49      0.938559    295.49      
1 1 1 8  11 10 o 309.981 2.3834  178.847      3.95519   173.85       3.703     270.251     51.7437     51.1684     231.744     
1 1 1 8  11 11 o 190.398 2.25345 67.056       2.23204   65.9932      2.21602   178.135     27.1825     0.797833    27.1825     
1 1 1 8  11 12 o 65.1456 2.60418 6.52607      0.862968  9.22495      0.869085  19.3855     91.9866     60.5768     271.987     
1 1 1 8  11 13 o 276.898 2.51646 140.75       3.49084   140.796      3.72914   288.02      14.9209     49.8785     14.9209     
1 1 1 8  11 14 o 80.1061 2.20036 11.8193      0.911843  11.7714      0.912024  33.0789     193.183     75.9915     13.1827     
1 1 1 8  11 15 o 140.71  2.12318 35.2711      1.54473   37.4223      1.55168   119.668     183.03      22.9557     3.03049     
1 1 1 8  11 16 o 141.425 2.20871 36.1882      1.56513   37.2495      1.67274   138.964     136.141     15.9158     136.141     
1 1 1 8  11 17 o 111.755 2.27993 22.1212      1.31145   23.7965      1.32644   100.751     171.676     1.62276     351.676     
1 1 1 8  11 18 o 207.166 2.33587 78.6678      2.50826   78.972       2.50854   220.079     120.627     51.7088     120.627     
1 1 1 8  11 19 o 24.4023 3.48628 1.10184      0.432466  1.17003      0.418949  19.4447     319.302     57.8251     319.302     
1 1 1 8  11 20 o 70.7577 2.47118 8.458        0.89566   10.018       0.907406  5.84767     203.45      113.948     23.4503     
1 1 1 8  11 21 o 181.934 2.26539 61.8136      2.2105    59.789       2.06178   155.229     335.021     28.23       155.021     
1 1 1 8  11 22 o 189.279 2.20639 66.6374      2.16838   64.9737      2.16104   184.346     312.039     17.1948     312.039     
1 1 1 8  11 23 o 198.097 2.2182  73.3851      2.28271   70.7942      2.27245   227.102     259.831     87.6866     259.831     
1 1 1 8  11 24 o 26.3682 3.56146 1.553        0.468673  1.11035      0.466978  6.41436     234.438     34.6545     234.438     
1 1 1 8  11 25 o 159.489 2.3854  49.0843      1.98414   44.4872      1.95763   149.147     75.6795     5.10287     75.6795     
1 1 1 8  11 26 o 167.65  2.4084  52.6629      2.09629   50.7137      2.08922   163.262     212.459     19.1967     212.459     
1 1 1 8  11 27 o 132.173 2.23501 31.5864      1.53049   32.6523      1.53176   136.15      44.0162     33.7977     44.0162     
1 1 1 8  11 28 f 42.641  2.86421 3.44704      0.629625  3.3169       0.621306  67.4759     340.475     0           0           
1 1 1 8  11 29 o 30.052  3.56352 2.17545      0.544887  1.30879      0.513674  2.54539     115.942     11.0577     295.942     
1 1 1 8  11 30 o 76.5552 2.49848 10.3653      1.01702   11.3007      0.955327  61.9355     68.2486     9.45226     248.249     
1 1 1 8  11 31 o 56.024  2.77581 5.2896       0.797398  6.39765      0.798749  42.8561     169.567     9.32001     349.567     
1 1 1 8  11 32 o 98.2591 2.57724 17.3296      1.35231   18.4345      1.26304   93.5611     207.744     11.6553     207.744     
1 1 1 8  11 33 o 97.951  2.5449  15.6528      1.25706   20.0538      1.31408   92.1031     208.083     9.91429     208.083     
1 1 1 8  11 34 o 99.7884 2.33429 17.9632      1.20119   18.946       1.20993   86.1497     234.253     4.95529     54.2534     
1 1 1 8  11 35 o 33.8517 3.48022 2.16312      0.594304  2.2272       0.591141  23.4162     202.148     5.20283     22.1482     
1 1 1 8  11 36 o 18.405  4.0109  0.369958     0.434498  0.893849     0.441992  2.38415     107.608     5.52956     287.608     
1 1 1 8  11 37 o 18.4087 4.21446 0.384811     0.464907  0.868727     0.482375  3.7475      334.894     13.7393     154.894     
1 1 1 8  11 38 o 23.194  4.33773 1.23658      0.533643  0.933737     0.53131   7.71287     141.322     20.2349     321.322     
1 1 1 8  11 39 o 34.9093 3.49251 2.85935      0.620469  1.93227      0.592614  33.139      271.975     9.91929     271.975     
1 1 1 8  11 40 f 14.4954 3.93635 -0.00874177  0.426825  0.515261     0.44501   19.3453     263.448     0           0           
1 1 1 8  11 41 o 39.409  3.49194 2.248        0.654586  3.92957      0.70331   42.2612     195.687     19.9327     195.687     
1 1 1 8  11 42 o 12.0416 3.67752 -0.138985    0.421971  0.113702     0.425736  1.00033     193.628     7.66126     13.628      
1 1 1 8  11 43 o 58.8136 2.75009 7.4882       0.839634  5.81708      0.81905   53.5427     140.829     7.54346     140.829     
1 1 1 8  11 44 o 34.8764 3.88305 1.57677      0.628391  3.53538      0.67498   30.0505     278.146     3.62693     278.146     
1 1 1 8  11 45 o 49.7906 3.11822 5.47809      0.823702  4.28574      0.765391  51.3601     188.704     20.4789     188.704     
1 1 1 8  11 46 o 27.8478 4.44751 1.98231      0.61678   1.38495      0.644634  22.468      9.81969     1.68496     9.81968     
1 1 1 8  11 47 o 16.0076 4.57962 0.389829     0.6924    0.389414     0.491457  2.37511     261.042     18.4796     81.0417     
1 1 1 8  11 48 o 13.4344 4.07842 -0.150287    0.541932  0.307333     0.507008  5.01475     35.2196     3.22344     215.22      
1 1 1 8  11 49 o 38.8537 4.41828 2.97024      0.748598  3.84926      0.972526  34.5825     243.862     6.83266     243.862     
1 1 1 8  11 50 o 32.2436 4.53866 1.81399      0.735808  3.08043      0.72465   26.5865     269.785     2.79704     269.785     
1 1 1 8  11 51 o 18.7591 4.72302 0.455265     0.595587  1.21722      0.619677  11.7077     17.9141     0.285295    197.914     
1 1 1 8  11 52 o 25.5732 4.68001 2.88605      0.767153  0.524859     0.73766   16.3014     266.211     5.76181     86.2112     
1 1 1 8  11 53 f 14.8091 4.41136 0.0840834    0.556541  0.676095     0.620145  5.97185     205.162     0           0           
1 1 1 8  11 54 o 18.0527 4.35453 -0.125027    0.577826  1.55625      0.618912  10.3328     6.21575     0.654319    6.21575     
1 1 1 8  11 55 o 9.72001 3.32626 -1.02587     0.516704  -0.199533    0.524     1.61445     198.579     8.71248     198.579     
1 1 1 8  11 56 o 12.9628 4.19234 -0.0304552   0.634089  0.177854     0.631658  0.646564    336.161     0.598315    156.161     
1 1 1 8  11 57 o 24.1166 5.17647 2.18023      0.739559  1.3956       0.703145  20.0313     254.028     9.14795     254.028     
1 1 1 8  11 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  12 0  o 109.842 2.09893 22.171       1.19311   22.171       1.19311   117.752     180         40.1191     180         
1 1 1 8  12 1  o 71.8162 2.17951 9.03488      0.805413  9.93487      0.812436  27.0526     42.6877     26.6686     222.688     
1 1 1 8  12 2  o 216.188 2.22202 85.177       2.5788    86.3235      2.39668   261.601     246.562     124.349     246.562     
1 1 1 8  12 3  o 358.934 2.40451 232.976      4.46803   239.897      4.47894   361.88      136.399     37.9205     136.399     
1 1 1 8  12 4  f 267.116 2.21352 132.059      3.0666    129.772      3.06302   180.996     318.637     0           0           
1 1 1 8  12 5  o 198.52  2.1215  71.9784      2.18199   72.6309      2.18422   198.412     158.137     27.312      158.137     
1 1 1 8  12 6  o 95.2545 2.09946 17.2051      1.03674   16.1298      1.03328   71.7769     331.978     11.095      151.978     
1 1 1 8  12 7  o 305.324 2.29955 174.294      3.64466   167.9        3.63345   346.67      12.8573     113.635     12.8573     
1 1 1 8  12 8  o 242.197 2.25278 105.323      2.90694   110.004      2.74258   212.929     306.23      32.8903     126.23      
1 1 1 8  12 9  o 137.307 2.22256 35.7543      1.59005   33.4644      1.57296   128.515     325.397     6.8993      325.397     
1 1 1 8  12 10 o 186.331 2.2378  62.3534      2.16104   65.1059      2.16101   197.902     210.639     47.5601     210.639     
1 1 1 8  12 11 o 104.492 2.23789 20.1309      1.21533   19.9875      1.20617   104.379     188.317     23.8297     188.317     
1 1 1 8  12 12 o 239.314 2.34543 104.881      2.90989   105.407      2.90914   176.191     190.861     102.213     10.8614     
1 1 1 8  12 13 o 460.307 2.88346 389.98       6.88676   388.806      6.87338   539.727     202.767     202.377     202.767     
1 1 1 8  12 14 f 71.1135 2.27123 10.0603      0.839418  8.57702      0.827523  83.7688     199.528     0           0           
1 1 1 8  12 15 o 160.042 2.20684 46.9671      1.77397   47.0861      1.886     169.767     133.684     42.68       133.684     
1 1 1 8  12 16 o 78.4781 2.32722 11.7464      0.948765  10.9224      0.939799  32.9207     235.523     73.6748     55.5233     
1 1 1 8  12 17 o 247.024 2.37785 113.286      3.04775   110.9        3.0416    276.674     158.833     90.0398     158.833     
1 1 1 8  12 18 o 294.318 2.46546 158.712      3.75758   159.605      3.76513   352.855     271.186     153.563     271.186     
1 1 1 8  12 19 o 70.0568 2.3755  8.21287      0.823572  9.90118      0.896273  65.8835     41.7539     26.6542     41.7539     
1 1 1 8  12 20 o 129.497 2.3304  31.3359      1.56494   30.3234      1.56088   113.656     260.618     9.47659     80.6185     
1 1 1 8  12 21 o 235.314 2.24935 100.233      2.74114   103.211      2.74586   252.118     37.0102     66.569      37.0102     
1 1 1 8  12 22 o 119.718 2.20336 26.3223      1.3683    26.3692      1.36405   109.357     20.0409     1.29264     20.0409     
1 1 1 8  12 23 f 45.6637 2.62996 4.06682      0.627314  3.65871      0.606504  26.5175     260.533     0           0           
1 1 1 8  12 24 o 18.1882 3.46033 -0.0450897   0.404855  1.14579      0.404035  8.51667     10.533      23.4548     10.533      
1 1 1 8  12 25 o 47.2087 2.67122 3.71381      0.642691  4.56387      0.648572  6.97361     221.551     63.6758     41.551      
1 1 1 8  12 26 o 112.608 2.44436 22.8504      1.42013   23.8608      1.42978   121.173     313.137     42.7425     313.137     
1 1 1 8  12 27 o 102.993 2.49086 19.7738      1.43438   19.336       1.21425   104.809     263.704     28.8777     263.704     
1 1 1 8  12 28 o 18.6735 3.96794 0.329089     0.436968  0.933445     0.438972  5.97035     81.8625     17.9629     81.8625     
1 1 1 8  12 29 o 104.349 2.2987  20.1229      1.23961   20.0397      1.24408   89.1562     356.395     7.89166     176.395     
1 1 1 8  12 30 o 97.8319 2.38546 17.3555      1.17398   18.0083      1.24181   100.769     129.303     27.8425     129.303     
1 1 1 8  12 31 o 102.591 2.43852 18.2677      1.27691   20.7131      1.31098   77.0999     237.306     29.585      57.3063     
1 1 1 8  12 32 o 150.628 2.28417 40.6692      1.77675   43.2148      1.7893    162.814     152.296     55.6687     152.296     
1 1 1 8  12 33 o 55.0473 2.82795 5.16793      0.788657  6.18335      0.810794  40.0024     346.624     14.6215     166.624     
1 1 1 8  12 34 f 112.096 2.62528 23.981       1.46414   22.8138      1.57661   71.2232     318.123     0           0           
1 1 1 8  12 35 o 13.5034 3.88102 0.0235761    0.43926   0.258169     0.422035  1.77945     87.512      8.47285     87.512      
1 1 1 8  12 36 o 72.558  2.47981 9.91185      0.927585  9.77263      0.932179  68.3932     169.423     10.6588     169.423     
1 1 1 8  12 37 o 41.7279 3.15714 3.39597      0.668091  3.26559      0.675994  34.0707     76.224      1.85909     256.224     
1 1 1 8  12 38 o 36.5667 3.46915 2.50463      0.62183   2.69592      0.660344  34.0751     289.361     8.40451     289.361     
1 1 1 8  12 39 o 41.7471 3.03363 2.86523      0.63485   3.84887      0.648004  38.8025     264.879     7.51534     264.879     
1 1 1 8  12 40 o 25.8748 4.24    1.01071      0.560653  1.74631      0.569946  21.358      197.069     3.09918     197.069     
1 1 1 8  12 41 o 16.0794 4.2471  0.174353     0.488845  0.62458      0.492571  3.95912     317.219     0.282792    317.219     
1 1 1 8  12 42 o 18.3855 4.35537 0.810656     0.499825  0.515778     0.488586  10.8729     207.315     1.14706     207.315     
1 1 1 8  12 43 o 11.4082 3.58128 -0.0915262   0.418677  -0.0830176   0.427034  0.551521    55.7791     5.9824      235.779     
1 1 1 8  12 44 o 31.6548 4.02113 1.45729      0.613989  2.77058      0.638588  23.403      273.831     3.97873     93.831      
1 1 1 8  12 45 o 45.6044 3.29339 4.32226      0.759152  3.96356      0.773556  48.2113     25.6556     22.0286     25.6556     
1 1 1 8  12 46 o 20.3585 4.64842 0.606018     0.536453  1.21429      0.607115  15.1956     13.7758     2.80484     13.7758     
1 1 1 8  12 47 o 18.5165 4.22543 1.36898      0.574565  -0.148789    0.552277  12.5947     221.891     0.107759    221.891     
1 1 1 8  12 48 o 54.1373 3.66235 4.52396      1.00194   7.9296       0.886374  42.6106     11.1056     3.4934      191.106     
1 1 1 8  12 49 o 27.003  4.37944 1.93897      0.600825  1.43388      0.605339  22.5338     88.5893     4.06124     88.5893     
1 1 1 8  12 50 o 17.2941 4.76237 0.658814     0.639769  0.678716     0.590568  8.94674     50.4836     4.13291     230.484     
1 1 1 8  12 51 o 16.3138 4.43964 0.167913     0.583971  0.892955     0.549547  8.07549     343.863     0.512058    343.863     
1 1 1 8  12 52 o 20.0798 5.05552 1.23862      0.678622  0.965358     0.651037  13.544      218.843     0.639601    218.843     
1 1 1 8  12 53 o 20.577  5.11164 1.12112      0.688417  1.29985      0.668303  13.7221     47.8147     1.16974     47.8147     
1 1 1 8  12 54 o 29.7561 4.53996 1.46764      0.677403  3.19522      0.720822  24.8392     58.3083     6.80456     58.3083     
1 1 1 8  12 55 o 12.6526 4.03914 -0.231652    0.589666  0.3142       0.564565  1.8935      257.047     4.51805     77.0467     
1 1 1 8  12 56 o 19.276  5.07312 1.96148      0.79836   0.236322     0.744657  10.0534     40.083      5.17173     220.083     
1 1 1 8  12 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  13 0  f 267.743 2.23312 131.525      3.09831   131.525      3.09831   244.617     3.0635e-06  0           0           
1 1 1 8  13 1  o 150.04  2.09545 41.824       1.63328   40.7956      1.62607   123.447     135.261     30.7119     315.261     
1 1 1 8  13 2  o 205.909 2.13505 79.3344      2.28236   76.2877      2.27481   229.768     46.5778     74.3189     46.5778     
1 1 1 8  13 3  o 54.0489 2.24898 5.21282      0.627797  5.54988      0.626271  32.2109     124.857     154.797     124.857     
1 1 1 8  13 4  o 88.441  2.14862 14.6943      0.984148  14.0513      0.982621  57.6368     216.603     38.7565     36.6027     
1 1 1 8  13 5  o 363.779 2.51149 244.116      4.90715   241.849      4.55974   366.32      176.943     39.055      176.943     
1 1 1 8  13 6  o 87.892  2.31561 14.3131      1.03576   14.0874      1.06991   38.3928     256.041     81.1981     76.0408     
1 1 1 8  13 7  o 116.973 2.28716 23.324       1.31742   27.0155      1.45458   78.8481     341.991     58.3879     161.991     
1 1 1 8  13 8  o 133.614 2.30235 31.1353      1.51933   34.4542      1.67089   120.099     329.113     7.10997     149.113     
1 1 1 8  13 9  f 105.881 2.36846 20.5122      1.23973   20.6965      1.35473   60.1925     132.25      0           0           
1 1 1 8  13 10 o 94.3802 2.33301 16.9549      1.05372   15.8056      1.21303   97.714      220.685     31.6166     220.685     
1 1 1 8  13 11 o 136.817 2.12507 33.5739      1.50402   35.1578      1.50973   151.237     84.8652     52.1883     84.8652     
1 1 1 8  13 12 o 159.549 2.27423 46.4803      1.88279   47.0049      1.87888   147.01      124.905     2.79016     304.905     
1 1 1 8  13 13 f 110.769 2.28364 21.1286      1.30043   24.0196      1.31609   90.2362     294.702     0           0           
1 1 1 8  13 14 o 135.615 2.18495 32.3189      1.48556   35.2536      1.58693   129.465     118.288     10.1643     118.288     
1 1 1 8  13 15 f 85.6178 2.29867 13.0692      1.01402   13.903       1.0221    18.7713     177.883     0           0           
1 1 1 8  13 16 o 113.149 2.27887 22.3851      1.32527   24.7113      1.34356   57.1078     177.129     93.0207     357.129     
1 1 1 8  13 17 o 43.7519 2.55578 3.48282      0.575619  3.6015       0.57312   3.84252     276.779     57.8743     96.7793     
1 1 1 8  13 18 f 125.635 2.16424 29.1565      1.40951   28.8198      1.40933   95.3132     10.3148     0           0           
1 1 1 8  13 19 o 71.5419 2.35763 9.42329      0.842266  9.42529      0.900543  36.4008     111.065     52.1872     291.065     
1 1 1 8  13 20 o 95.2124 2.40467 16.6814      1.18913   16.6804      1.18065   50.4814     176.172     71.1319     356.172     
1 1 1 8  13 21 o 148.187 2.17604 39.2323      1.66558   41.4643      1.67676   151.913     234.815     32.8859     234.815     
1 1 1 8  13 22 o 15.184  3.3181  0.829669     0.373787  -0.259598    0.351588  13.7834     6.53531     33.4494     6.53531     
1 1 1 8  13 23 o 89.9626 2.26003 15.1326      1.05396   14.6601      1.05038   60.5031     254.159     39.203      74.1588     
1 1 1 8  13 24 o 32.0303 3.44651 1.15638      0.516433  2.90447      0.526164  2.6562      285.918     45.8467     285.918     
1 1 1 8  13 25 o 152.599 2.29972 42.7822      1.88428   42.8965      1.75128   154.554     124.448     33.3344     124.448     
1 1 1 8  13 26 o 62.7181 2.47945 7.24824      0.803337  7.28617      0.802399  60.8789     15.6234     35.7652     15.6234     
1 1 1 8  13 27 o 130.205 2.44147 30.1404      1.63931   32.4078      1.65222   142.979     17.3866     53.2804     17.3866     
1 1 1 8  13 28 f 39.799  3.04925 2.96786      0.651015  2.96263      0.584875  34.2915     194.405     0           0           
1 1 1 8  13 29 o 139.804 2.3275  36.6196      1.63939   35.5196      1.73104   139.63      288.085     27.6606     288.085     
1 1 1 8  13 30 o 18.648  4.15519 0.672468     0.455495  0.622978     0.441709  0.307184    214.818     3.50495     34.8183     
1 1 1 8  13 31 o 84.5195 2.36351 12.8056      1.02936   13.6722      1.03691   61.3896     222.447     26.8656     42.447      
1 1 1 8  13 32 o 49.1151 2.66045 4.91494      0.679607  4.11504      0.661852  47.5907     250.231     14.3396     250.231     
1 1 1 8  13 33 o 83.8417 2.38337 12.8289      1.03198   13.3031      1.03521   80.1839     195.277     13.6338     195.277     
1 1 1 8  13 34 o 83.479  2.83676 14.0306      1.23303   12.1301      1.21119   83.8115     173.218     21.9585     173.218     
1 1 1 8  13 35 o 45.6225 3.06226 4.38364      0.666838  3.54107      0.74383   38.9609     238.731     1.16189     238.731     
1 1 1 8  13 36 o 47.9897 2.77882 4.22196      0.681526  4.49472      0.688525  41.5887     313.343     1.74372     313.343     
1 1 1 8  13 37 o 16.4283 4.28352 0.426999     0.488047  0.460938     0.474487  5.14859     31.6263     7.55702     211.626     
1 1 1 8  13 38 o 30.371  3.70616 1.84143      0.549545  1.80609      0.574719  17.9994     82.8643     14.1123     262.864     
1 1 1 8  13 39 o 46.5269 2.88322 4.28658      0.685796  3.98949      0.689877  41.1434     40.4739     3.70235     40.4739     
1 1 1 8  13 40 o 49.5694 3.03422 5.41991      0.782562  4.09202      0.752046  48.3459     251.151     13.3898     251.151     
1 1 1 8  13 41 o 55.2176 2.75751 5.6154       0.779254  6.07556      0.788447  45.1463     228.007     3.00302     48.0068     
1 1 1 8  13 42 o 57.7971 3.16407 7.39449      0.838587  5.67278      0.99321   46.4405     342.446     4.4001      162.446     
1 1 1 8  13 43 o 49.7131 3.08143 4.83927      0.815558  4.83228      0.754921  42.004      220.354     1.37975     220.354     
1 1 1 8  13 44 o 15.0576 3.83916 -0.807896    0.490036  0.944978     0.516474  1.00251     354.258     19.3843     174.258     
1 1 1 8  13 45 o 25.2929 3.85313 2.56287      0.5899    0.268573     0.549067  16.7261     267.898     5.95762     87.8978     
1 1 1 8  13 46 o 16.6785 4.29503 0.762607     0.498523  0.308036     0.49388   9.69301     34.1397     1.80885     214.14      
1 1 1 8  13 47 o 27.9547 4.46034 2.22396      0.615907  1.35414      0.664168  21.242      256.516     1.10321     76.516      
1 1 1 8  13 48 o 11.985  3.84683 -0.304729    0.568535  0.0260895    0.485943  2.91301     207.983     3.69117     27.983      
1 1 1 8  13 49 o 21.4955 4.83682 1.0693       0.601692  1.23372      0.613222  14.1943     312.876     2.16742     132.876     
1 1 1 8  13 50 o 11.0139 3.53255 -0.858305    0.456727  0.281597     0.488622  0.361983    177.695     9.20651     357.695     
1 1 1 8  13 51 o 13.806  4.0775  0.768932     0.569631  -0.576771    0.537413  4.71228     123.754     4.81807     303.754     
1 1 1 8  13 52 o 12.1953 3.90221 -0.270615    0.555024  0.209416     0.526939  0.215545    216.317     0.241687    36.317      
1 1 1 8  13 53 o 15.5686 4.6531  0.416423     0.673144  0.61461      0.627713  2.31581     343.651     15.0928     163.651     
1 1 1 8  13 54 f 18.9241 4.82476 1.36707      0.645026  0.608476     0.62083   11.4135     141.029     0           0           
1 1 1 8  13 55 o 10.8391 3.63728 -0.022087    0.569313  -0.600908    0.53968   0.370291    147.892     2.22315     327.892     
1 1 1 8  13 56 o 13.1967 4.24837 0.0796032    0.621378  0.23272      0.655574  3.353       242.133     1.63532     62.1333     
1 1 1 8  14 0  o 284.976 2.26892 149.019      3.3507    149.019      3.3507    347.136     180         150.635     180         
1 1 1 8  14 1  o 164.323 2.11457 50.4649      1.80307   48.6637      1.79886   128.286     116.379     51.1104     296.379     
1 1 1 8  14 2  f 297.157 2.28902 161.185      3.52216   163.051      3.52954   224.15      234.657     0           0           
1 1 1 8  14 3  o 190.174 2.19025 65.917       2.21977   66.8642      2.0957    184.011     104.61      11.423      104.61      
1 1 1 8  14 4  o 99.0852 2.33353 18.0636      1.14191   18.0301      1.24926   111.308     3.43814     51.9954     3.43814     
1 1 1 8  14 5  o 25.9028 3.42833 1.39131      0.447006  1.16214      0.439198  19.2948     316.427     60.5088     316.427     
1 1 1 8  14 6  o 67.6852 2.35457 8.84901      0.868463  8.02716      0.779139  57.6017     126.433     11.5914     126.433     
1 1 1 8  14 7  o 124.826 2.37865 28.3233      1.53799   28.9509      1.53725   109.553     323.546     9.63025     143.546     
1 1 1 8  14 8  o 109.795 2.49694 21.5897      1.28111   22.7531      1.55071   72.8251     238.021     54.9074     58.0206     
1 1 1 8  14 9  o 136.12  2.37707 33.8927      1.58367   34.1919      1.765     121.266     18.7469     7.9216      198.747     
1 1 1 8  14 10 o 191.973 2.22065 66.4798      2.29255   68.8757      2.12004   229.124     222.757     102.316     222.757     
1 1 1 8  14 11 o 163.15  2.28408 47.3504      1.92434   50.445       1.93792   169.112     15.1725     36.9811     15.1725     
1 1 1 8  14 12 o 197.898 2.65759 70.7322      2.60425   73.2481      2.84638   191.739     189.171     15.0769     189.171     
1 1 1 8  14 13 o 143.224 2.32704 37.152       1.65588   38.213       1.79819   130.456     104.881     1.98753     284.881     
1 1 1 8  14 14 o 235.355 2.33736 104.456      2.85625   99.0906      2.84563   216.202     136.342     6.72834     316.342     
1 1 1 8  14 15 o 59.6583 2.4695  7.37141      0.760965  5.80086      0.752108  39.1213     155.057     16.9083     335.057     
1 1 1 8  14 16 o 160.77  2.28893 47.9068      1.90834   47.0578      1.90658   194.738     103.902     96.239      103.902     
1 1 1 8  14 17 o 154.602 2.16785 43.2305      1.73648   44.5746      1.73784   179.008     64.8827     76.0803     64.8827     
1 1 1 8  14 18 o 50.4647 2.5025  5.41724      0.655666  4.04182      0.636706  27.7457     264.662     23.4875     84.6622     
1 1 1 8  14 19 o 74.3894 2.4846  10.3893      0.957857  10.0047      0.952699  58.8895     84.0636     11.2708     264.064     
1 1 1 8  14 20 o 144.636 2.35963 36.842       1.76247   40.1037      1.7738    120.065     303.161     24.0811     123.161     
1 1 1 8  14 21 o 131.59  2.20486 30.585       1.49797   33.0895      1.50859   119.278     289.678     0.265133    289.678     
1 1 1 8  14 22 o 50.6221 2.57091 5.10763      0.673316  4.38605      0.66442   31.7457     235.258     13.5998     55.2576     
1 1 1 8  14 23 o 113.902 2.25367 22.0762      1.31925   25.755       1.33448   105.754     96.6586     8.63713     96.6586     
1 1 1 8  14 24 o 50.8305 2.64151 4.97382      0.718764  4.60271      0.663768  37.8371     238.272     7.88137     238.272     
1 1 1 8  14 25 o 46.9049 2.68826 4.13383      0.648584  4.03476      0.64738   23.3241     198.743     27.7822     18.7426     
1 1 1 8  14 26 o 38.5293 2.92614 2.3388       0.566031  3.24958      0.570672  17.9236     57.6305     22.3806     237.63      
1 1 1 8  14 27 o 54.933  2.55811 5.89374      0.724759  5.30808      0.72247   47.0966     28.8491     1.75147     28.849      
1 1 1 8  14 28 o 44.3327 3.09826 3.28362      0.677489  4.10687      0.725145  30.5979     295.804     12.8859     115.804     
1 1 1 8  14 29 o 27.4037 3.92778 1.71732      0.571239  1.21626      0.508444  2.97703     29.6955     36.392      209.695     
1 1 1 8  14 30 o 126.079 2.28466 30.2741      1.49747   28.5674      1.48677   114.831     119.037     5.1462      119.037     
1 1 1 8  14 31 o 86.9265 2.34358 12.9353      1.04266   15.154       1.06178   104.755     305.447     58.888      305.447     
1 1 1 8  14 32 o 92.281  2.34344 14.7099      1.10562   16.981       1.12984   96.549      157.32      31.6045     157.32      
1 1 1 8  14 33 o 7.88817 2.68072 -0.7089      0.345769  -0.316517    0.308367  3.84344     311.351     9.23794     311.351     
1 1 1 8  14 34 o 14.0111 3.89129 0.506662     0.475379  -0.139977    0.399045  1.80027     56.9843     17.0021     56.9843     
1 1 1 8  14 35 o 19.2019 4.36431 0.692151     0.488075  0.735973     0.497656  2.64968     275.196     22.7932     95.1959     
1 1 1 8  14 36 o 14.7265 4.01683 0.391563     0.447515  0.206621     0.424841  3.06233     315.954     4.92613     135.954     
1 1 1 8  14 37 o 30.9202 3.87449 2.03025      0.583659  1.77609      0.609979  17.5011     24.1234     16.1231     204.123     
1 1 1 8  14 38 o 15.2687 4.33038 0.298898     0.428521  0.249188     0.620089  5.40173     33.1511     4.88016     213.151     
1 1 1 8  14 39 f 21.1739 4.27702 1.37536      0.544951  0.444707     0.511472  15.0911     260.733     0           0           
1 1 1 8  14 40 o 49.2138 3.17368 5.96573      0.815299  3.59922      0.755099  44.0904     142.841     5.83405     142.841     
1 1 1 8  14 41 o 20.5031 4.24603 0.464847     0.520104  1.2437       0.505582  14.643      35.4462     2.74407     35.4462     
1 1 1 8  14 42 o 20.8103 4.35732 1.12479      0.514573  0.699275     0.510463  4.16985     354.387     23.851      174.387     
1 1 1 8  14 43 o 23.1224 4.38979 1.0944       0.522349  1.21418      0.552314  9.07892     143.925     17.8963     323.925     
1 1 1 8  14 44 o 11.833  3.72336 -0.228636    0.453976  0.0611413    0.473109  2.06949     279.872     3.99081     99.8716     
1 1 1 8  14 45 o 21.9181 4.46712 1.08293      0.534203  1.07066      0.536309  16.2525     359.855     0.434852    359.855     
1 1 1 8  14 46 o 23.2997 4.45013 1.28518      0.547305  1.19958      0.553459  17.3103     31.8221     0.364581    211.822     
1 1 1 8  14 47 o 8.95685 3.05147 -0.807817    0.408033  -0.291991    0.435097  0.22741     306.238     4.5546      306.238     
1 1 1 8  14 48 o 37.9828 4.20561 2.70629      0.755055  3.86551      0.839244  34.2376     25.078      8.8887      25.078      
1 1 1 8  14 49 f 14.8525 4.39147 0.186146     0.592578  0.506848     0.556109  13.4569     306.327     0           0           
1 1 1 8  14 50 o 13.4286 4.15044 0.343271     0.579306  0.0170237    0.519174  3.37768     160.531     8.36629     340.531     
1 1 1 8  14 51 o 21.5954 4.88854 0.977325     0.60467   1.5701       0.65471   16.1909     70.5148     4.56022     70.5148     
1 1 1 8  14 52 o 17.1148 4.50761 0.244653     0.559172  1.16292      0.593727  8.13121     222.794     2.0513      42.7945     
1 1 1 8  14 53 o 20.8797 4.99862 1.40521      0.663835  1.08873      0.628971  13.0389     31.9404     0.0909061   211.941     
1 1 1 8  14 54 o 11.7505 3.92663 -0.122257    0.642791  -0.305296    0.61544   1.13778     223.296     6.5277      43.2964     
1 1 1 8  14 55 o 18.4995 4.46089 -0.269868    0.662774  1.81665      0.664632  11.4363     87.0523     0.242079    87.0523     
1 1 1 8  14 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  15 0  o 156.887 2.21433 45.2057      1.79916   45.2057      1.79916   169.812     1.79237e-06 42.5714     1.79237e-06 
1 1 1 8  15 1  o 196.786 2.31431 70.4709      2.28072   71.7712      2.43937   195.308     138.082     23.8592     138.082     
1 1 1 8  15 2  o 89.6498 2.2416  15.4628      1.04179   14.1066      1.03685   84.224      84.5991     13.4182     84.5991     
1 1 1 8  15 3  o 240.194 2.52799 102.704      3.14237   109.351      3.1506    233.422     269.868     16.9086     269.868     
1 1 1 8  15 4  o 186.683 2.35548 60.8084      2.36538   67.297       2.17527   170.211     305.142     7.07795     125.142     
1 1 1 8  15 5  o 184.852 2.73855 61.4552      2.6222    64.187       2.62508   184.689     282.457     26.2109     282.457     
1 1 1 8  15 6  o 80.7983 2.69557 10.7163      1.07198   13.4122      1.17828   77.6661     312.86      21.5622     312.86      
1 1 1 8  15 7  o 173.225 2.51806 54.233       2.25402   56.0486      2.2678    165.345     294.043     10.0903     294.044     
1 1 1 8  15 8  o 132.048 2.54866 32.5344      1.73894   31.6024      1.74643   108.451     355.102     24.6892     175.102     
1 1 1 8  15 9  o 193.277 2.66813 69.2386      2.55044   68.1004      2.78831   209.749     41.6122     61.9009     41.6122     
1 1 1 8  15 10 o 267.054 2.90499 131.175      4.01154   131.181      4.03118   278.648     19.8473     59.1225     19.8473     
1 1 1 8  15 11 o 135.737 2.77894 33.1175      1.94149   34.709       1.96459   111.706     68.6327     25.0875     248.633     
1 1 1 8  15 12 o 43.6019 3.94397 3.43996      0.866058  3.69053      0.875278  15.9824     125.227     24.8511     305.227     
1 1 1 8  15 13 o 175.276 2.91538 58.8014      2.30471   54.3202      2.92461   128.443     158.763     67.2249     338.763     
1 1 1 8  15 14 o 87.4914 2.57338 14.3751      1.15785   13.8193      1.17057   59.3731     197.907     36.7777     17.9069     
1 1 1 8  15 15 o 139.586 2.3069  37.709       1.65363   33.9397      1.67974   136.252     260.187     18.1162     260.187     
1 1 1 8  15 16 o 90.0646 2.2191  15.3376      1.03836   14.5094      1.03009   61.6125     14.3551     37.7337     194.355     
1 1 1 8  15 17 o 122.7   2.17923 27.2432      1.38265   28.1         1.38813   123.12      210.325     24.9748     210.325     
1 1 1 8  15 18 o 208.958 2.22381 82.6721      2.41429   77.8545      2.40189   228.561     18.4744     74.0573     18.4744     
1 1 1 8  15 19 o 143.941 2.34981 37.0203      1.7504    39.1897      1.75521   143.666     132.774     26.8721     132.774     
1 1 1 8  15 20 o 80.0158 2.40491 11.1542      1.02268   12.4608      0.960813  83.9242     235.894     34.4485     235.894     
1 1 1 8  15 21 o 248.096 2.28059 112.266      2.93035   114.193      2.93535   249.13      40.2583     45.227      40.2583     
1 1 1 8  15 22 o 64.4713 2.48982 8.15939      0.867586  7.21064      0.790851  31.3932     132.171     47.1472     312.171     
1 1 1 8  15 23 o 40.4473 2.77685 3.70735      0.576234  2.4514       0.556016  22.3329     179.476     0.864389    179.476     
1 1 1 8  15 24 o 57.8372 2.50789 6.24411      0.745141  6.14101      0.751269  29.7373     77.9846     39.4313     257.985     
1 1 1 8  15 25 o 78.259  2.34204 10.8712      0.945507  11.769       0.949337  33.6848     76.8863     71.6052     256.886     
1 1 1 8  15 26 o 18.4251 3.81216 0.858032     0.401316  0.41588      0.39806   0.155506    109.053     7.2814      289.053     
1 1 1 8  15 27 o 90.7007 2.36724 14.4511      1.07022   16.0175      1.15241   82.763      350.659     5.07592     350.659     
1 1 1 8  15 28 o 63.5222 2.70588 7.03639      0.827492  8.00719      0.947086  71.582      303.483     35.9588     303.483     
1 1 1 8  15 29 o 72.0005 2.62188 9.9478       0.983082  9.35846      0.967126  75.3721     331.693     26.618      331.693     
1 1 1 8  15 30 o 10.5387 3.3326  -0.161671    0.419936  -0.117041    0.32273   9.51342     184.118     25.0876     184.118     
1 1 1 8  15 31 o 59.8617 2.48758 6.82653      0.77169   6.55636      0.765163  53.2163     63.2989     3.80177     63.2989     
1 1 1 8  15 32 o 37.3724 2.91935 2.70578      0.557112  2.59721      0.55497   37.5732     95.8221     27.4167     95.8221     
1 1 1 8  15 33 o 18.474  4.29867 0.45118      0.448339  0.840257     0.517037  5.46953     247.452     12.0104     67.4521     
1 1 1 8  15 34 o 20.873  4.1635  1.21288      0.451062  0.426167     0.575627  12.3923     176.944     0.746608    356.944     
1 1 1 8  15 35 o 44.7442 3.38443 3.80604      0.84999   3.9246       0.678411  23.4746     36.7149     29.3315     216.715     
1 1 1 8  15 36 o 54.3489 3.14675 5.5561       0.876502  5.77258      0.880805  54.5529     267.586     16.9358     267.586     
1 1 1 8  15 37 o 38.6181 3.44227 2.90866      0.70118   2.92368      0.644385  25.9825     127.346     12.5891     307.346     
1 1 1 8  15 38 o 50.5164 2.76612 4.70985      0.70875   5.05913      0.728471  47.1146     198.765     9.42421     198.765     
1 1 1 8  15 39 o 24.9095 4.06407 1.90431      0.541229  0.708483     0.536154  22.5419     183.491     10.659      183.491     
1 1 1 8  15 40 o 27.9426 4.06137 1.30445      0.579566  1.94803      0.557389  22.7604     121.697     2.20475     121.697     
1 1 1 8  15 41 o 46.1695 2.96302 4.1966       0.70543   4.11811      0.697386  50.1318     242.197     25.076      242.197     
1 1 1 8  15 42 o 19.3472 4.41049 0.809553     0.494364  0.769528     0.512388  13.2881     153.072     1.98433     153.072     
1 1 1 8  15 43 o 52.3406 3.03192 4.83802      0.775671  6.04122      0.854054  53.2846     189.012     20.7756     189.012     
1 1 1 8  15 44 o 44.5972 3.53637 3.7882       0.75661   4.41253      0.851204  40.0769     259.65      7.70859     259.65      
1 1 1 8  15 45 o 19.7954 4.35981 1.28895      0.542974  0.457029     0.515679  13.2115     227.932     8.24946     227.932     
1 1 1 8  15 46 o 34.1926 3.76212 2.6585       0.639656  2.37931      0.647917  31.4582     142.275     9.31506     142.275     
1 1 1 8  15 47 o 18.6729 4.61078 0.832708     0.550457  0.818803     0.547517  11.889      209.196     0.119831    29.1962     
1 1 1 8  15 48 f 18.4512 4.67329 0.263527     0.5585    1.34988      0.659633  5.1612      55.8082     0           0           
1 1 1 8  15 49 o 14.0404 4.34025 0.307439     0.597615  0.143124     0.603728  4.10821     109.459     7.99766     289.459     
1 1 1 8  15 50 o 10.496  3.50207 -1.0947      0.498702  0.127668     0.536556  0.293109    71.743      1.92859     251.743     
1 1 1 8  15 51 o 20.5841 4.43564 0.381816     0.592057  1.77831      0.605241  12.7912     147.781     5.93753     147.781     
1 1 1 8  15 52 o 13.3462 3.97748 0.740639     0.546269  -0.573017    0.522268  1.50214     306.013     1.60646     126.013     
1 1 1 8  15 53 o 17.5338 4.77482 0.758046     0.610572  0.950943     0.6182    8.88594     87.7649     0.856931    87.7649     
1 1 1 8  15 54 o 14.0922 4.36502 0.445584     0.59917   0.251921     0.624281  4.77035     244.965     2.42875     64.9651     
1 1 1 8  15 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  16 0  o 96.2811 2.3597  17.0704      1.17447   17.0704      1.17447   103.075     1.14016e-05 25.4461     1.14016e-05 
1 1 1 8  16 1  o 217.521 2.42146 88.0588      2.73306   85.814       2.72725   197.185     82.2135     9.8156      262.214     
1 1 1 8  16 2  o 13.4699 3.1596  -0.0689769   0.262078  0.597396     0.325006  16.6898     87.2791     36.9565     87.2791     
1 1 1 8  16 3  o 155.798 2.41079 44.72        1.9758    44.4739      1.9178    148.78      20.9457     11.6205     20.9457     
1 1 1 8  16 4  o 143.984 2.74071 39.6099      2.04329   36.7089      2.04186   181.752     202.723     105.006     202.723     
1 1 1 8  16 5  o 136.63  2.744   35.5462      1.94184   33.1788      1.93933   151.459     2.7785      55.8739     2.7785      
1 1 1 8  16 6  o 93.8608 2.80526 16.0787      1.35243   16.3826      1.37116   100.697     203.274     40.0759     203.274     
1 1 1 8  16 7  o 57.8075 3.0005  6.77828      0.882126  5.61242      0.895516  40.7798     23.8377     7.39149     203.838     
1 1 1 8  16 8  o 43.0669 3.35992 3.65805      0.726356  3.26234      0.745084  7.43147     47.278      0.0508599   227.279     
1 1 1 8  16 9  o 110.078 2.82402 21.6125      1.59125   23.0324      1.62586   48.4938     146.818     103.551     326.818     
1 1 1 8  16 10 o 177.616 2.78924 59.6242      2.5658    56.449       2.56871   179.562     179.048     32.7606     179.048     
1 1 1 8  16 11 o 163.695 3.00242 48.1937      2.68518   50.4976      2.39039   146.375     59.4753     7.66325     239.475     
1 1 1 8  16 12 o 87.3478 3.34394 14.1816      1.49925   14.0189      1.51736   67.1414     74.5527     20.3555     254.553     
1 1 1 8  16 13 o 118.126 2.73879 27.2887      1.73818   24.1565      1.61195   105.856     286.112     1.61663     106.112     
1 1 1 8  16 14 o 130.558 2.71904 32.8466      1.92151   29.9659      1.75573   136.537     77.2506     37.6512     77.2506     
1 1 1 8  16 15 o 206.41  2.6188  79.8262      2.80384   76.9586      2.79949   201.377     355.005     24.4558     355.005     
1 1 1 8  16 16 o 78.1591 2.47724 12.0922      1.0044    10.455       0.994375  54.0821     42.7317     27.9237     222.732     
1 1 1 8  16 17 o 57.9289 2.43058 6.74688      0.729616  5.66565      0.719947  26.7803     298.908     43.2157     118.908     
1 1 1 8  16 18 o 81.9193 2.47013 11.7264      1.05237   13.0365      1.03747   78.8734     278.67      18.688      278.67      
1 1 1 8  16 19 o 86.948  2.44422 14.8384      1.11005   13.0683      1.08675   70.3802     129.654     10.1899     309.654     
1 1 1 8  16 20 o 11.5175 3.28566 0.217062     0.317497  -0.0369195   0.30019   26.7131     77.874      59.3156     77.874      
1 1 1 8  16 21 o 104.506 2.32867 18.9992      1.29348   21.3045      1.2175    102.355     215.868     20.2175     215.868     
1 1 1 8  16 22 o 44.7846 2.59526 3.93576      0.596588  3.52165      0.596237  22.9406     291.601     26.7257     111.601     
1 1 1 8  16 23 o 27.6094 3.33914 1.7086       0.459244  1.21749      0.455836  2.98163     134.471     34.0102     314.471     
1 1 1 8  16 24 o 72.5793 2.35788 9.1285       0.878188  10.3841      0.889042  74.4178     98.6731     22.6527     98.6731     
1 1 1 8  16 25 o 45.8902 2.6054  3.744        0.612224  4.10606      0.615952  37.5054     259.991     0.875266    79.9913     
1 1 1 8  16 26 f 99.3876 2.41875 18.1064      1.23784   18.5002      1.25065   69.9194     265.253     0           0           
1 1 1 8  16 27 o 57.9719 2.5971  6.64193      0.779987  5.89173      0.771109  56.3797     53.5227     14.7524     53.5227     
1 1 1 8  16 28 o 34.9332 3.04425 2.73923      0.540814  1.92178      0.52507   30.0935     344.084     12.6733     344.084     
1 1 1 8  16 29 o 18.3704 3.48938 1.256        0.413129  -0.494778    0.538863  0.819617    302.467     19.0807     122.467     
1 1 1 8  16 30 o 21.2181 4.21333 0.632311     0.485288  1.14384      0.50155   5.80894     291.526     0.374789    111.526     
1 1 1 8  16 31 o 64.4381 2.57665 8.23697      0.902937  7.35193      0.812028  66.4682     28.8017     22.4609     28.8017     
1 1 1 8  16 32 o 18.4985 4.05896 0.572306     0.454973  0.748059     0.412547  1.63101     348.159     23.5118     168.159     
1 1 1 8  16 33 o 65.9649 2.67861 7.77571      0.914712  8.66039      0.906692  61.9962     4.62773     10.6812     4.62772     
1 1 1 8  16 34 o 50.6826 2.79676 5.03645      0.733964  4.72058      0.723595  48.6465     192.836     11.4145     192.836     
1 1 1 8  16 35 o 34.4717 3.30062 2.41475      0.566347  2.21157      0.580801  31.0386     280.194     5.88337     280.194     
1 1 1 8  16 36 o 63.1705 3.06451 7.45656      0.982969  7.88109      1.01183   54.6006     211.449     1.834       211.448     
1 1 1 8  16 37 o 48.7222 3.10575 3.55318      0.693425  5.78237      0.852861  32.22       338.083     17.5353     158.083     
1 1 1 8  16 38 o 47.9868 2.85378 4.87975      0.70175   4.01752      0.698971  45.4371     206.529     11.2533     206.529     
1 1 1 8  16 39 o 53.3393 3.02916 5.71604      0.826886  5.36104      0.833029  38.9776     31.6883     11.1211     211.688     
1 1 1 8  16 40 o 22.7303 4.24916 1.03255      0.50321   1.16214      0.514015  13.1759     127.451     8.04225     307.451     
1 1 1 8  16 41 o 46.4051 3.01289 4.55175      0.725492  3.93981      0.705787  32.9992     140.286     10.466      320.286     
1 1 1 8  16 42 o 13.6717 3.88024 0.482872     0.437503  -0.135044    0.460683  4.97006     190.426     2.88916     10.4264     
1 1 1 8  16 43 o 32.4523 3.89551 2.10021      0.611818  2.37819      0.652146  27.5634     117.985     3.81734     117.985     
1 1 1 8  16 44 o 17.0132 4.09799 -0.298406    0.505754  1.22611      0.558731  6.27548     90.841      12.1639     270.841     
1 1 1 8  16 45 o 17.0795 4.27944 0.303092     0.49752   0.912221     0.501835  3.19511     134.411     1.68458     134.411     
1 1 1 8  16 46 o 18.5583 4.55413 0.722082     0.533991  0.902022     0.540163  5.25031     307.218     2.88282     307.218     
1 1 1 8  16 47 o 19.9073 4.77096 0.901977     0.577625  1.09285      0.597745  11.1649     294.53      5.24429     114.53      
1 1 1 8  16 48 o 21.9549 4.31073 0.509788     0.561613  1.87392      0.586877  16.6515     46.2652     3.17705     46.2652     
1 1 1 8  16 49 o 26.6582 5.16049 2.21684      0.74792   1.69553      0.732409  19.967      279.967     1.2166      279.967     
1 1 1 8  16 50 o 14.6146 4.48631 0.766617     0.712134  -0.0795916   0.564965  3.41851     204.566     1.60344     24.5664     
1 1 1 8  16 51 o 9.9967  3.37134 -0.645701    0.493447  -0.171272    0.488395  0.699263    89.0111     5.51117     89.0111     
1 1 1 8  16 52 o 17.79   4.66409 1.18993      0.603958  0.517303     0.58824   9.4928      147.529     0.668307    147.529     
1 1 1 8  16 53 o 22.206  4.49409 0.457692     0.64402   2.27303      0.662869  16.758      317.447     4.41442     317.447     
1 1 1 8  16 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  17 0  o 14.2381 4.24856 0.527233     0.316351  0.527233     0.316351  32.2098     8.65114e-06 74.1413     8.65114e-06 
1 1 1 8  17 1  f 173.083 2.31077 56.5363      2.04573   53.5645      2.0978    129.451     58.8541     0           0           
1 1 1 8  17 2  o 189.466 2.38468 64.3938      2.43638   67.5544      2.2376    182.622     41.9697     16.8067     41.9697     
1 1 1 8  17 3  o 174.302 2.78462 55.1394      2.50448   56.6337      2.52732   151.076     248.84      18.0655     68.84       
1 1 1 8  17 4  f 116.763 2.74841 24.0764      1.64764   26.1532      1.6735    68.5596     297.253     0           0           
1 1 1 8  17 5  o 105.616 2.77294 20.646       1.51305   20.4485      1.51783   75.066      40.5788     40.2316     220.579     
1 1 1 8  17 6  o 77.898  2.90064 11.3635      1.16378   11.0325      1.17016   74.7259     7.64291     16.7559     7.64292     
1 1 1 8  17 7  o 141.834 2.76563 36.4552      2.02515   37.6232      2.03739   148.914     61.4364     40.5481     61.4364     
1 1 1 8  17 8  o 106.939 2.82769 21.9291      1.56034   20.2357      1.56686   99.7995     319.717     8.49866     319.717     
1 1 1 8  17 9  o 57.9793 3.05708 6.44252      0.906085  6.0114       0.91688   41.2635     53.8089     11.5631     233.809     
1 1 1 8  17 10 o 118.34  2.8122  25.812       1.7174    25.8001      1.72784   117.732     82.8638     23.5581     82.8638     
1 1 1 8  17 11 o 131.003 2.90935 31.3442      2.16055   31.9258      1.76096   107.481     317.337     21.9607     137.337     
1 1 1 8  17 12 o 23.9211 4.88178 0.879127     0.652526  1.28309      0.639053  10.6027     302.88      40.7322     302.88      
1 1 1 8  17 13 o 114.247 2.6209  25.2076      1.55023   22.9137      1.54734   43.1494     35.6434     120.03      215.643     
1 1 1 8  17 14 o 129.282 2.60209 30.0081      1.73025   31.5857      1.75341   89.4781     97.5056     54.0543     277.506     
1 1 1 8  17 15 o 61.8115 2.8746  6.79439      0.906811  7.35713      0.924518  40.6712     12.9028     20.4203     192.903     
1 1 1 8  17 16 o 85.8365 2.7363  13.9009      1.2158    13.3166      1.21255   53.3332     92.6746     43.5816     272.675     
1 1 1 8  17 17 o 60.7848 2.95959 7.44687      0.923299  6.28171      0.924685  33.0169     342.422     36.1267     162.422     
1 1 1 8  17 18 o 160.418 2.59861 48.9458      2.1658    45.9779      2.15464   131.868     95.8734     25.4373     275.873     
1 1 1 8  17 19 o 107.29  2.42649 21.834       1.35055   20.6584      1.34432   104.995     348.481     20.086      348.481     
1 1 1 8  17 20 o 63.7711 2.37263 7.59867      0.784628  7.44224      0.77845   58.7187     122.748     9.24938     122.748     
1 1 1 8  17 21 o 35.2198 2.85188 2.60409      0.513811  2.06289      0.503404  7.80103     104.439     42.2734     284.439     
1 1 1 8  17 22 o 60.6794 2.41215 6.45516      0.750666  7.20233      0.759302  64.1468     178.44      25.674      178.44      
1 1 1 8  17 23 o 90.1907 2.29213 15.0078      1.07114   15.0868      1.06855   74.6948     353.458     9.89194     173.458     
1 1 1 8  17 24 o 59.5914 2.77795 6.74598      0.750588  6.49822      0.940057  51.1007     12.6636     0.199338    12.6639     
1 1 1 8  17 25 o 59.7086 2.88944 6.20878      0.878535  7.14052      0.896957  41.8751     277.607     19.0591     97.6075     
1 1 1 8  17 26 o 31.7182 3.44108 2.21466      0.593097  1.66516      0.503271  16.9723     39.4221     15.0967     219.422     
1 1 1 8  17 27 o 43.4704 3.02921 3.78707      0.747452  3.36023      0.598154  38.2715     8.77542     5.55351     8.77542     
1 1 1 8  17 28 o 34.7965 2.92523 2.22537      0.515109  2.37485      0.519114  18.7422     138.364     19.4969     318.364     
1 1 1 8  17 29 o 20.0915 3.84051 0.90169      0.41244   0.695005     0.410458  4.41136     290.696     19.5762     110.696     
1 1 1 8  17 30 o 51.8392 2.75484 4.94133      0.686199  5.21273      0.782235  44.7311     77.9818     1.37452     77.9817     
1 1 1 8  17 31 o 11.239  3.52851 -0.111923    0.415181  -0.114632    0.405987  0.808753    259.836     5.96246     259.836     
1 1 1 8  17 32 o 19.0183 3.88868 1.11146      0.457964  0.293991     0.418081  5.27942     81.4347     17.9804     261.435     
1 1 1 8  17 33 o 41.371  3.14374 2.6811       0.630019  3.96903      0.683995  36.2423     120.585     3.44036     120.585     
1 1 1 8  17 34 o 39.3294 3.17451 2.46863      0.613624  3.5689       0.641964  20.8748     232.725     24.231      52.7253     
1 1 1 8  17 35 o 18.5122 4.09001 0.445185     0.453336  0.898788     0.446898  8.69511     297.366     8.71998     117.366     
1 1 1 8  17 36 o 19.8816 4.15654 0.520868     0.471148  1.08494      0.479582  12.9184     147.123     4.81302     147.123     
1 1 1 8  17 37 o 35.4264 3.81552 2.1305       0.643863  2.97353      0.707632  24.7244     52.6901     8.27811     232.69      
1 1 1 8  17 38 o 60.9504 3.00975 7.12291      0.896468  7.32836      0.991698  63.7844     44.0021     26.433      44.0021     
1 1 1 8  17 39 f 31.2271 3.93226 1.22875      0.598033  2.94276      0.591967  26.1696     118.253     0           0           
1 1 1 8  17 40 o 44.8226 3.00415 3.83329      0.682199  4.09946      0.696883  35.0794     288.069     3.25141     108.07      
1 1 1 8  17 41 f 30.8042 3.82763 1.46925      0.566689  2.58051      0.595327  24.1325     194.729     0           0           
1 1 1 8  17 42 o 38.4104 3.35013 2.98442      0.655174  3.06421      0.65038   36.9115     335.545     12.5371     335.545     
1 1 1 8  17 43 o 19.5391 4.61405 1.14681      0.573205  0.59176      0.557233  13.6075     222.031     0.129688    42.0307     
1 1 1 8  17 44 o 23.7044 4.42555 2.02588      0.626695  0.654008     0.578671  11.5274     341.591     13.0923     161.591     
1 1 1 8  17 45 o 48.3911 3.14146 4.55407      0.769789  5.19203      0.786427  46.2505     344.823     15.709      344.823     
1 1 1 8  17 46 o 24.6751 4.46201 0.803609     0.599527  2.24324      0.643294  18.7891     290.204     1.92326     290.204     
1 1 1 8  17 47 o 18.5921 4.50125 1.17896      0.555977  0.517874     0.537091  11.9989     231.795     1.11253     231.795     
1 1 1 8  17 48 o 12.7335 3.85968 0.528934     0.498651  -0.392689    0.492471  2.74569     280.271     4.0703      100.271     
1 1 1 8  17 49 o 11.9582 3.84449 0.414099     0.560584  -1.11023     0.611205  0.936058    265.931     4.44008     85.9311     
1 1 1 8  17 50 o 21.348  5.3639  1.55526      0.768247  1.21644      0.727485  12.6143     35.5831     2.40397     215.583     
1 1 1 8  17 51 f 14.2928 4.32552 0.549744     0.571878  0.193592     0.584855  7.85384     197.829     0           0           
1 1 1 8  17 52 o 27.726  4.7377  1.90653      0.673235  2.26869      0.677229  26.2787     333.507     17.7922     333.507     
1 1 1 8  17 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  18 0  o 503.85  2.84348 466.402      7.4254    466.402      7.4254    542.65      180         155.372     180         
1 1 1 8  18 1  o 142.368 2.32707 37.7225      1.71962   36.7998      1.71489   135.339     329.639     13.3423     329.639     
1 1 1 8  18 2  o 47.0079 3.00846 3.81998      0.714672  4.39687      0.733843  27.1555     67.801      13.8724     247.801     
1 1 1 8  18 3  o 189.055 2.57612 63.6115      2.5158    67.9276      2.53177   169.059     249.473     6.86046     69.4729     
1 1 1 8  18 4  o 116.095 2.5889  24.4746      1.55512   25.1694      1.55671   110.037     48.8332     12.8984     48.8332     
1 1 1 8  18 5  o 187.571 2.60567 63.8029      2.53682   65.6751      2.52962   208.08      273.963     75.5354     273.963     
1 1 1 8  18 6  o 131.263 2.68134 32.081       1.88727   31.3975      1.75661   86.5246     94.8292     64.2273     274.829     
1 1 1 8  18 7  o 62.0214 2.87875 7.05991      0.946685  7.17074      0.892722  35.0267     314.669     33.9456     134.669     
1 1 1 8  18 8  o 64.0126 2.81855 7.13419      0.920451  8.03077      0.939188  57.5378     233.742     14.277      233.742     
1 1 1 8  18 9  o 43.4644 3.22331 3.90292      0.702329  3.16323      0.718865  0.693063    210.616     70.8345     210.616     
1 1 1 8  18 10 o 97.2705 2.64793 17.5007      1.32832   17.3982      1.33688   99.8139     324.005     31.3375     324.005     
1 1 1 8  18 11 o 165.234 2.74686 49.0328      2.45656   51.637       2.23424   184.498     176.339     72.5085     176.339     
1 1 1 8  18 12 o 85.3191 3.04642 13.3327      1.33954   13.6061      1.34631   47.926      78.5093     53.6117     258.509     
1 1 1 8  18 13 o 146.659 2.59922 37.6633      1.9613    41.6853      1.98618   136.082     119.066     9.19087     119.066     
1 1 1 8  18 14 o 70.8334 2.8325  10.0994      1.04314   8.51176      1.02398   30.1736     246.549     62.7861     66.5488     
1 1 1 8  18 15 o 154.942 2.62718 44.4828      2.10207   44.0868      2.11787   160.217     38.8717     42.7537     38.8717     
1 1 1 8  18 16 o 96.45   2.73205 19.417       1.36705   15.1289      1.34542   101.198     245.858     33.5868     245.858     
1 1 1 8  18 17 o 72.1253 2.85655 9.41057      1.0562    9.89438      1.07101   44.2572     278.164     37.7931     98.1641     
1 1 1 8  18 18 o 99.1801 3.05036 18.5134      1.56328   18.0287      1.5654    102.109     236.97      28.8605     236.97      
1 1 1 8  18 19 o 92.9154 2.90689 16.0047      1.46409   16.0664      1.32509   91.5972     251.696     19.3355     251.696     
1 1 1 8  18 20 o 29.8038 3.1857  1.66403      0.461782  1.71167      0.491701  17.2965     159.809     6.57558     339.809     
1 1 1 8  18 21 o 31.3976 3.30823 1.60106      0.541099  2.17281      0.480773  21.2498     199.313     0.342109    19.3131     
1 1 1 8  18 22 o 55.555  2.77291 5.27499      0.861252  6.2684       0.694773  56.282      166.891     20.0357     166.891     
1 1 1 8  18 23 o 38.2283 2.81676 3.01471      0.554116  2.49424      0.542432  24.9531     210.866     11.5585     30.8663     
1 1 1 8  18 24 o 47.2995 2.72723 3.83748      0.656389  4.56381      0.665899  32.2626     229.933     14.9869     49.9327     
1 1 1 8  18 25 o 51.5227 2.68865 5.39643      0.708977  4.572        0.712512  58.3488     235.173     33.1683     235.173     
1 1 1 8  18 26 o 40.0307 2.81345 3.26772      0.581203  2.79653      0.568756  38.4327     326.296     12.9506     326.296     
1 1 1 8  18 27 o 28.5519 3.30538 1.45452      0.470117  1.7079       0.472594  22.5541     141.82      13.143      141.82      
1 1 1 8  18 28 o 52.8613 2.59171 5.08991      0.708323  5.43066      0.702332  50.0977     317.769     10.7145     317.769     
1 1 1 8  18 29 o 93.5612 2.35657 17.037       1.14436   15.7455      1.13668   88.9696     66.7429     16.0265     66.7429     
1 1 1 8  18 30 o 25.8842 3.53368 1.31054      0.458029  1.33606      0.455863  23.6548     2.70684     13.0163     2.70684     
1 1 1 8  18 31 o 59.2889 2.73306 6.41369      0.813224  6.90954      0.857712  63.2148     287.438     26.0067     287.438     
1 1 1 8  18 32 o 74.2368 3.19702 11.071       1.24366   10.1048      1.20466   68.3631     229.157     10.1052     229.157     
1 1 1 8  18 33 o 44.9887 2.90663 4.08107      0.667877  3.69679      0.671073  45.8274     139.687     17.2975     139.687     
1 1 1 8  18 34 o 34.2371 3.26435 2.66063      0.569293  1.9661       0.550324  22.9544     329.748     10.1119     149.748     
1 1 1 8  18 35 o 35.5636 3.38113 2.46802      0.628782  2.53271      0.58407   28.2153     338.374     1.30614     158.374     
1 1 1 8  18 36 o 17.2313 3.95745 -0.0108371   0.469691  1.00922      0.467801  8.97555     99.7996     0.240095    99.7997     
1 1 1 8  18 37 o 53.6181 3.0488  5.15209      0.838162  6.09683      0.836479  55.8548     188.09      23.6089     188.09      
1 1 1 8  18 38 o 28.9559 4.53289 1.74464      0.654714  1.88597      0.67029   27.6526     264.462     11.8732     264.462     
1 1 1 8  18 39 o 16.1099 4.19553 0.169295     0.444497  0.765783     0.514497  6.59049     323.365     8.55792     143.365     
1 1 1 8  18 40 o 15.1339 4.11071 0.247337     0.464953  0.52649      0.455434  5.02417     70.6495     10.3767     250.65      
1 1 1 8  18 41 o 20.4405 4.31753 1.31939      0.530001  0.546687     0.512028  13.5251     336.263     2.66719     156.263     
1 1 1 8  18 42 o 33.6388 3.74312 2.57249      0.633237  2.28056      0.627348  31.5965     324.853     10.7452     324.853     
1 1 1 8  18 43 o 27.8084 4.41864 2.29758      0.628066  1.33378      0.634036  25.3596     173.568     9.76446     173.568     
1 1 1 8  18 44 o 20.9019 4.59209 1.41415      0.585039  0.723127     0.555958  11.8112     299.536     5.99907     119.536     
1 1 1 8  18 45 o 20.1269 4.55248 1.42167      0.5749    0.56175      0.579865  11.1636     26.1853     5.82956     206.185     
1 1 1 8  18 46 o 14.8299 4.23988 0.833453     0.575417  -0.109473    0.506691  5.24158     158.259     0.109057    158.258     
1 1 1 8  18 47 o 14.2785 4.21837 0.634127     0.544726  -0.00632899  0.544041  3.72279     38.9053     8.63439     218.905     
1 1 1 8  18 48 o 12.1312 3.90222 -0.0640829   0.570846  0.0496768    0.50779   0.759663    66.0971     7.63948     246.097     
1 1 1 8  18 49 o 17.8759 4.79842 1.00762      0.590575  0.687602     0.664358  7.84169     220.826     1.5782      220.826     
1 1 1 8  18 50 o 12.0614 3.9023  -1.02285     0.527021  0.588053     0.634604  1.46653     150.343     7.045       330.343     
1 1 1 8  18 51 o 29.2996 5.08945 2.16117      0.819551  2.74219      0.738277  23.4492     1.04477     4.92458     1.04477     
1 1 1 8  18 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  19 0  o 73.4397 2.36837 9.96592      0.89731   9.96592      0.89731   73.5286     180         57.5023     180         
1 1 1 8  19 1  o 49.0025 2.83047 4.88939      0.664951  4.04168      0.744027  26.1235     328.625     10.0333     328.625     
1 1 1 8  19 2  o 175.301 2.59983 54.8131      2.35517   58.4142      2.3683    165.47      113.64      15.054      113.64      
1 1 1 8  19 3  o 26.5759 3.99888 0.941927     0.53028   1.81481      0.546558  1.08695     337.651     9.00394     337.651     
1 1 1 8  19 4  o 69.0758 2.7887  8.43755      0.984524  9.21914      1.00345   50.6421     143.049     14.2822     323.049     
1 1 1 8  19 5  o 228.022 2.64149 94.997       3.11251   96.6084      3.13179   258.345     45.373      104.682     45.373      
1 1 1 8  19 6  o 60.8357 2.86016 6.6192       0.886403  7.09736      0.906997  40.6115     259.122     18.7948     79.1224     
1 1 1 8  19 7  f 108.086 2.63408 22.5011      1.47553   20.6336      1.46979   88.991      146.918     0           0           
1 1 1 8  19 8  o 24.5962 4.12541 1.63518      0.532742  0.71798      0.53685   0.41175     230.437     4.15902     230.437     
1 1 1 8  19 9  o 64.1921 2.85408 7.18512      0.933401  8.10029      0.954833  49.7867     276.23      7.70423     96.2298     
1 1 1 8  19 10 o 19.4257 4.33491 0.90179      0.496291  0.457254     0.505887  9.18408     190.756     31.5912     190.756     
1 1 1 8  19 11 o 83.4696 3.08324 12.6156      1.32429   13.2351      1.33415   73.0671     108.609     0.953508    108.609     
1 1 1 8  19 12 o 43.736  3.47971 3.69646      0.713926  3.49146      0.826535  29.7414     173.48      8.4248      353.48      
1 1 1 8  19 13 o 120.559 2.64132 26.1028      1.63966   27.6549      1.65703   99.4083     70.7802     16.1963     250.78      
1 1 1 8  19 14 o 96.1378 2.69277 17.6903      1.3408    16.5498      1.33669   80.224      115.95      9.8688      295.95      
1 1 1 8  19 15 o 93.3084 2.7053  16.4201      1.29901   15.8561      1.31182   77.144      25.8945     10.8149     205.894     
1 1 1 8  19 16 o 34.825  3.82381 2.75165      0.665856  1.92137      0.655644  5.22111     233.36      46.9417     53.3604     
1 1 1 8  19 17 o 114.589 2.82728 24.0526      1.57412   24.723       1.77563   120.535     61.0452     38.5932     61.0452     
1 1 1 8  19 18 o 40.8526 3.8828  3.1267       0.806559  3.24651      0.795705  38.9081     277.698     19.0911     277.698     
1 1 1 8  19 19 o 104.411 2.71851 21.5542      1.47365   19.0246      1.46031   96.6113     34.7288     9.56825     34.7288     
1 1 1 8  19 20 o 15.8569 4.27992 -0.0716496   0.544178  0.590041     0.499747  11.9302     297.77      42.6154     297.77      
1 1 1 8  19 21 o 67.4278 2.90566 9.39218      0.942434  7.67065      1.05458   69.7581     304.908     24.6259     304.908     
1 1 1 8  19 22 o 21.6592 3.72643 1.32465      0.408414  0.497869     0.468148  3.2225      285.186     23.0514     105.186     
1 1 1 8  19 23 f 47.3883 2.65247 4.59764      0.649625  3.8488       0.639419  21.7923     302.259     0           0           
1 1 1 8  19 24 o 18.2182 3.76109 0.715196     0.39248   0.579162     0.363158  4.59843     318.921     9.18185     138.921     
1 1 1 8  19 25 o 59.4567 2.48187 6.43472      0.764375  6.81646      0.757896  46.4561     259.086     8.99737     79.086      
1 1 1 8  19 26 o 31.0627 3.23219 2.16402      0.511004  1.58809      0.491478  28.702      83.2242     10.2549     83.2242     
1 1 1 8  19 27 o 86.6329 2.35275 14.035       1.05536   14.0669      1.0538    84.5151     275.318     19.6836     275.318     
1 1 1 8  19 28 o 54.0148 2.57116 5.1852       0.715558  5.82816      0.713647  55.0925     71.1631     18.9419     71.1631     
1 1 1 8  19 29 o 27.1097 3.46761 1.55633      0.480937  1.344        0.457723  18.7066     4.19771     5.71197     184.198     
1 1 1 8  19 30 o 42.5826 2.81555 3.45239      0.619258  3.47459      0.609185  39.1677     299.373     7.66157     299.373     
1 1 1 8  19 31 o 39.4629 3.27387 3.12318      0.693966  2.94312      0.619299  35.5469     52.6193     6.30551     52.6193     
1 1 1 8  19 32 o 20.3043 3.94913 0.0252804    0.463649  1.58773      0.561194  14.3631     318.716     3.97851     318.716     
1 1 1 8  19 33 o 31.2788 3.91559 2.14214      0.614673  1.83626      0.607234  25.4392     247.837     1.26995     247.837     
1 1 1 8  19 34 o 12.4854 3.52829 -0.307196    0.394069  0.422429     0.378295  0.734572    89.0551     1.22559     269.055     
1 1 1 8  19 35 o 32.3423 3.61673 2.0837       0.590962  2.14266      0.581125  30.3738     52.1043     10.2776     52.1043     
1 1 1 8  19 36 o 15.4096 4.06838 0.527207     0.445553  0.287813     0.436318  6.53576     17.0212     1.40324     197.021     
1 1 1 8  19 37 o 21.7411 4.4841  1.07693      0.537311  0.988313     0.536221  13.3035     32.3215     5.6189      212.322     
1 1 1 8  19 38 o 16.5036 4.37262 0.438473     0.567207  0.568429     0.455763  9.25762     41.7561     1.23573     41.7561     
1 1 1 8  19 39 o 39.2746 3.78963 4.1411       0.732877  2.42581      0.718506  34.5463     130.974     6.28445     130.974     
1 1 1 8  19 40 o 24.2731 4.2718  1.51268      0.538652  1.1531       0.538368  18.7409     130.629     1.01565     130.629     
1 1 1 8  19 41 f 33.2897 3.80254 1.82581      0.614411  3.02098      0.625101  23.9979     291.701     0           0           
1 1 1 8  19 42 o 39.475  3.70182 3.75234      0.739737  3.00543      0.728469  42.5414     328.846     24.5085     328.846     
1 1 1 8  19 43 f 27.9767 4.67468 1.34093      0.666881  2.54828      0.704772  17.8089     215.274     0           0           
1 1 1 8  19 44 f 22.4058 4.80226 1.12198      0.61581   1.46311      0.608329  24.7875     229.393     0           0           
1 1 1 8  19 45 o 21.1468 4.65787 0.731281     0.553978  1.6094       0.626458  16.0366     224.307     6.00406     224.307     
1 1 1 8  19 46 o 13.3637 4.06914 0.340998     0.51049   0.120813     0.517227  2.9606      229.135     5.00143     49.1349     
1 1 1 8  19 47 o 34.6824 4.11804 3.24158      0.717826  2.50568      0.702535  33.2172     315.337     16.4283     315.337     
1 1 1 8  19 48 o 17.5273 4.76738 1.08652      0.626693  0.526873     0.631404  7.60719     285.696     5.91229     105.696     
1 1 1 8  19 49 o 18.6313 4.8717  0.98676      0.621311  1.03246      0.624867  10.4815     314.081     1.54432     134.081     
1 1 1 8  19 50 o 11.0806 3.66685 -0.392431    0.541558  0.00607428   0.522686  1.29938     13.0273     5.30271     193.027     
1 1 1 8  20 0  f 76.9784 2.67283 10.9772      1.06063   10.9772      1.06063   93.5145     180         0           0           
1 1 1 8  20 1  o 74.6625 2.7348  9.27051      1.03377   11.4273      1.07039   65.97       144.509     3.65027     144.509     
1 1 1 8  20 2  o 91.6365 2.66822 15.3834      1.25821   15.6721      1.27122   85.6906     64.7149     11.1459     64.7149     
1 1 1 8  20 3  o 122.414 2.61425 27.1371      1.65348   28.2332      1.66006   109.194     165.804     0.667415    165.804     
1 1 1 8  20 4  o 44.6646 3.14736 4.34621      0.71213   3.16045      0.709519  35.6049     75.7315     4.28394     75.7315     
1 1 1 8  20 5  o 26.4072 4.15781 1.13499      0.549318  1.57802      0.563316  5.69581     193.562     13.1062     13.5619     
1 1 1 8  20 6  o 54.4352 2.98324 5.86758      0.833623  5.17643      0.833989  40.9962     9.6176      9.14532     189.618     
1 1 1 8  20 7  o 38.0241 3.3965  2.3213       0.639971  3.16348      0.656945  27.9491     203.334     0.825564    203.334     
1 1 1 8  20 8  o 84.9665 2.72475 14.3502      1.19103   12.4368      1.19753   83.8606     78.793      19.0884     78.793      
1 1 1 8  20 9  o 100.758 2.6689  17.6499      1.37321   19.9858      1.40754   100.389     320.776     22.7885     320.776     
1 1 1 8  20 10 o 36.5177 3.46467 2.70873      0.633829  2.3477       0.640918  18.9896     120.53      12.1691     120.53      
1 1 1 8  20 11 o 108.47  2.98007 22.2911      1.66772   21.438       1.67639   111.317     313.341     31.0946     313.341     
1 1 1 8  20 12 o 59.4705 3.09285 6.28573      0.882066  6.93534      1.01158   57.7561     225.029     14.9826     225.029     
1 1 1 8  20 13 o 80.4823 2.77549 13.2218      1.15061   10.9144      1.14982   61.277      74.6282     18.3576     254.628     
1 1 1 8  20 14 o 24.4226 4.08914 1.76705      0.537405  0.583978     0.540648  6.30327     105.535     19.4776     285.535     
1 1 1 8  20 15 o 77.3322 2.78868 11.6144      1.10929   10.6708      1.11708   65.4937     105.777     3.4143      285.777     
1 1 1 8  20 16 o 92.1711 2.72936 15.3654      1.29414   16.2678      1.30766   88.2775     53.3966     15.7721     53.3966     
1 1 1 8  20 17 o 51.53   3.40338 5.82589      0.821337  4.27021      0.931193  59.519      309.084     43.6772     309.084     
1 1 1 8  20 18 o 37.9601 3.98222 2.76925      0.757292  2.79831      0.762426  21.0488     138.12      19.6552     318.12      
1 1 1 8  20 19 o 26.9226 4.29644 1.29179      0.577158  1.58581      0.595096  14.4467     249.088     8.86009     69.0884     
1 1 1 8  20 20 o 17.5884 4.28333 0.113754     0.488825  0.88594      0.526917  2.19107     338.638     7.11911     158.638     
1 1 1 8  20 21 o 33.3407 4.17242 1.38123      0.62967   3.16018      0.746161  24.0695     90.3245     4.47838     270.324     
1 1 1 8  20 22 o 13.8914 4.07669 -0.285018    0.488775  0.382266     0.523583  0.0199613   2.7415      6.37066     182.741     
1 1 1 8  20 23 o 22.176  4.23593 1.36894      0.482946  0.527472     0.590679  7.34923     198.972     18.4611     18.9719     
1 1 1 8  20 24 o 57.611  2.46402 6.46057      0.736759  6.01205      0.727573  64.0603     164.025     31.1382     164.025     
1 1 1 8  20 25 f 26.0438 3.37644 1.50895      0.449675  1.16243      0.427436  25.1319     203.953     0           0           
1 1 1 8  20 26 f 31.478  3.19525 1.87605      0.511163  1.96359      0.501102  21.0987     73.0045     0           0           
1 1 1 8  20 27 o 61.1782 2.51093 6.22444      0.783242  7.93532      0.794176  61.5874     98.6054     19.6406     98.6054     
1 1 1 8  20 28 o 13.0151 3.3646  0.563045     0.361658  -0.242052    0.326878  2.33599     261.086     6.4115      81.0863     
1 1 1 8  20 29 o 48.7709 2.6967  5.11248      0.680145  3.98975      0.665317  39.5148     50.9481     2.5342      230.948     
1 1 1 8  20 30 o 42.3144 3.00258 3.29384      0.653387  3.63689      0.643734  31.7562     7.02045     6.51814     187.02      
1 1 1 8  20 31 o 20.9811 3.91251 1.40323      0.483907  0.406522     0.45179   5.76836     59.1807     20.7576     239.181     
1 1 1 8  20 32 f 20.5824 3.7529  0.177542     0.443146  1.54155      0.491886  17.4744     135.544     0           0           
1 1 1 8  20 33 o 20.1185 4.15443 0.663484     0.472362  1.01941      0.463381  12.6097     275.957     2.56366     95.9565     
1 1 1 8  20 34 f 15.0286 4.11707 -0.116808    0.50966   0.631226     0.484454  19.2292     155.218     0           0           
1 1 1 8  20 35 o 12.8892 3.83452 0.183521     0.444688  0.067304     0.427372  3.17453     62.4024     6.25581     242.402     
1 1 1 8  20 36 o 53.6584 2.85015 5.19633      0.76789   6.13151      0.804193  51.5057     234.849     15.5259     234.849     
1 1 1 8  20 37 o 20.9035 4.46729 1.08482      0.535888  0.867941     0.517472  16.5762     91.0449     4.77591     91.0449     
1 1 1 8  20 38 o 19.8977 4.55    0.892263     0.565185  0.908316     0.507211  15.5793     182.382     5.45688     182.382     
1 1 1 8  20 39 o 19.078  4.60871 0.984139     0.57792   0.687658     0.521292  12.5795     67.9072     6.52446     67.9072     
1 1 1 8  20 40 o 41.9061 3.65387 4.11291      0.773705  3.41938      0.771917  37.8692     251.765     9.72392     251.765     
1 1 1 8  20 41 o 13.827  3.98112 0.609992     0.485604  -0.225411    0.497087  4.18737     98.2157     5.57504     278.216     
1 1 1 8  20 42 o 10.1345 3.35217 -0.0514292   0.435799  -0.622033    0.469531  0.89359     166.326     10.4726     166.326     
1 1 1 8  20 43 o 9.83008 3.31741 -0.367216    0.450443  -0.456434    0.493562  0.00120033  309.657     4.94772     309.654     
1 1 1 8  20 44 o 24.0568 4.61257 1.75969      0.609013  1.22241      0.585231  20.0662     179.172     8.76005     179.172     
1 1 1 8  20 45 o 18.3534 4.57307 0.674648     0.540451  1.06584      0.557869  9.6137      74.0361     1.37014     74.036      
1 1 1 8  20 46 o 20.9989 4.41188 0.485589     0.567118  1.79139      0.598154  13.6358     319.004     1.43444     319.004     
1 1 1 8  20 47 o 22.9722 4.84175 1.05144      0.685002  1.89855      0.635517  11.0518     51.3406     10.284      231.341     
1 1 1 8  20 48 o 22.1049 4.98189 1.64036      0.636791  1.22524      0.677807  15.0651     355.11      0.88019     355.11      
1 1 1 8  20 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  21 0  o 192.016 2.97046 68.0953      2.95339   68.0953      2.95339   199.005     2.33963e-06 54.1624     2.33963e-06 
1 1 1 8  21 1  o 34.2103 4.17703 2.43929      0.846116  2.07883      0.574485  21.8594     260.238     11.1753     260.238     
1 1 1 8  21 2  o 86.5133 3.23488 13.0013      1.60507   14.951       1.22389   70.8666     32.7776     9.97976     212.778     
1 1 1 8  21 3  o 58.6905 3.09496 6.01155      0.991492  6.87207      0.859258  46.4475     125.928     7.34301     305.928     
1 1 1 8  21 4  o 47.7139 3.0012  4.4214       0.72788   4.10175      0.739715  47.5662     135.626     19.2247     135.626     
1 1 1 8  21 5  o 39.5164 3.22854 2.90663      0.641719  2.98115      0.656653  36.2993     99.6734     16.6134     99.6734     
1 1 1 8  21 6  o 10.2899 3.26668 -0.0772063   0.342842  -0.285379    0.389406  4.83259     156.37      12.1224     156.37      
1 1 1 8  21 7  o 48.6088 3.04825 4.71235      0.759765  4.15204      0.75786   34.3313     82.0109     12.7101     262.011     
1 1 1 8  21 8  o 83.6567 2.72326 13.0263      1.17036   12.9949      1.18507   80.0556     351.911     14.6727     351.911     
1 1 1 8  21 9  o 30.7402 3.83626 2.16543      0.579896  1.50813      0.588523  20.3274     249.908     3.19078     249.908     
1 1 1 8  21 10 o 36.3283 3.54381 2.84501      0.635491  2.20673      0.651147  26.7453     74.2402     1.99992     254.24      
1 1 1 8  21 11 f 67.1298 3.2138  8.2744       1.10154   8.63658      1.12186   61.2335     219.456     0           0           
1 1 1 8  21 12 o 76.967  2.94844 10.6444      1.0952    11.5114      1.24814   60.8833     349.679     11.5774     169.679     
1 1 1 8  21 13 f 70.9771 2.83149 9.23852      1.02977   9.59227      1.04524   60.6909     234.799     0           0           
1 1 1 8  21 14 o 65.0193 2.88672 8.34046      0.966138  7.50715      0.967565  66.5354     48.8873     22.8929     48.8873     
1 1 1 8  21 15 o 32.312  3.8329  2.07767      0.614863  1.97675      0.623218  22.8508     91.2843     3.03015     271.284     
1 1 1 8  21 16 o 111.693 2.7192  24.7385      1.56607   21.933       1.57296   106.524     312.231     18.3708     312.231     
1 1 1 8  21 17 o 49.5197 3.56318 4.82878      0.902148  4.55422      0.900947  40.8418     344.872     1.33833     164.872     
1 1 1 8  21 18 o 13.8774 4.0806  0.22744      0.501521  -0.00768755  0.473337  3.83082     105.059     21.855      105.059     
1 1 1 8  21 19 o 30.9077 4.09303 0.927486     0.607554  3.0753       0.650045  15.0813     315.458     19.7228     135.458     
1 1 1 8  21 20 o 13.6099 3.9704  -0.398126    0.473897  0.42931      0.506258  6.79618     49.794      31.058      49.794      
1 1 1 8  21 21 o 65.0796 3.2571  8.42329      1.07997   7.75739      1.10061   63.0476     141.772     15.2764     141.772     
1 1 1 8  21 22 o 44.7356 3.42103 4.10828      0.779527  3.62234      0.77877   41.1866     196.761     7.92206     196.761     
1 1 1 8  21 23 o 18.1661 4.50074 0.565172     0.523853  0.636568     0.523604  8.91253     304.705     1.05112     304.705     
1 1 1 8  21 24 o 61.5536 3.0893  7.52627      0.970799  6.95063      0.985651  48.687      304.059     7.20474     124.059     
1 1 1 8  21 25 o 38.2527 3.52446 2.53105      0.610511  3.21312      0.756293  27.4909     282.54      8.28495     102.54      
1 1 1 8  21 26 f 29.3165 3.32635 1.70999      0.499323  1.66824      0.477422  12.2471     95.71       0           0           
1 1 1 8  21 27 o 25.9019 3.58525 1.32147      0.475668  1.36809      0.452262  19.2478     268.029     1.37743     88.0293     
1 1 1 8  21 28 f 45.3868 2.86165 3.61812      0.671858  4.32377      0.653309  28.0068     64.4773     0           0           
1 1 1 8  21 29 o 37.9094 3.14833 3.0552       0.614992  2.57294      0.596049  35.2909     245.684     9.53336     245.684     
1 1 1 8  21 30 o 37.8809 3.33586 2.31154      0.645783  3.40435      0.59627   32.9994     90.0306     4.9677      90.0306     
1 1 1 8  21 31 o 17.9479 4.22902 0.648654     0.480644  0.644073     0.441581  9.44038     129.503     2.24162     129.503     
1 1 1 8  21 32 o 20.5462 4.10126 1.06504      0.466983  0.714984     0.455641  15.2841     220.899     5.94365     220.899     
1 1 1 8  21 33 o 38.3657 3.26894 2.73348      0.654682  3.15915      0.60942   46.158      31.7708     34.2877     31.7708     
1 1 1 8  21 34 o 45.2641 3.02627 4.11326      0.715488  4.01218      0.687708  48.6932     334.645     24.8737     334.645     
1 1 1 8  21 35 o 38.1581 3.95575 3.57284      0.765436  2.61022      0.739032  40.9372     155.964     22.2513     155.964     
1 1 1 8  21 36 o 32.0346 4.28265 2.46775      0.719358  2.06603      0.651691  29.4871     131.155     9.39778     131.155     
1 1 1 8  21 37 o 13.914  4.00534 0.538979     0.487321  -0.103514    0.471221  5.74502     102.581     1.29283     282.581     
1 1 1 8  21 38 o 17.7254 4.28534 0.50038      0.481616  0.889412     0.486222  7.03864     283.284     3.52692     283.284     
1 1 1 8  21 39 f 12.0247 3.73793 0.101738     0.462639  -0.0062517   0.437556  6.83918     3.52494     0           0           
1 1 1 8  21 40 o 32.684  4.03533 2.22683      0.685126  2.61157      0.622096  32.8242     282.743     17.4992     282.743     
1 1 1 8  21 41 o 15.84   4.16018 1.01173      0.530115  -0.17259     0.530643  6.87518     250.828     1.00879     250.828     
1 1 1 8  21 42 o 19.2554 4.86022 1.20315      0.623087  0.734225     0.630059  12.5549     211.862     2.47884     211.862     
1 1 1 8  21 43 o 15.29   4.39    0.433948     0.571358  0.544278     0.521575  5.49437     16.3761     4.31061     196.376     
1 1 1 8  21 44 o 13.2412 4.00565 -0.0746402   0.504849  0.479269     0.507285  1.8453      221.926     3.85053     41.9258     
1 1 1 8  21 45 o 11.2079 3.65876 -0.175732    0.508775  -0.0545184   0.48654   0.0885724   255.214     7.34193     75.2141     
1 1 1 8  21 46 o 15.2473 4.27612 0.0491953    0.535522  0.916098     0.551194  5.68703     153.133     1.3112      333.133     
1 1 1 8  21 47 o 22.6061 5.07186 1.19361      0.705387  1.84181      0.677905  17.1448     343.18      5.32624     343.18      
1 1 1 8  21 48 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  22 0  o 118.439 3.44977 26.1365      2.10977   26.1365      2.10977   101.495     180         6.76031     8.65152e-06 
1 1 1 8  22 1  o 59.9228 2.96819 7.21904      0.981822  6.24954      0.851607  70.4502     4.99276     43.711      4.99276     
1 1 1 8  22 2  o 27.6077 3.77108 1.67657      0.514676  1.29434      0.523553  15.2496     358.461     0.0349896   358.461     
1 1 1 8  22 3  o 96.7703 2.66564 17.234       1.33306   17.6281      1.33598   91.7922     3.57857     15.2399     3.57857     
1 1 1 8  22 4  o 73.8844 2.76129 10.1942      1.05412   10.1772      1.05343   65.1574     182.013     3.19982     182.013     
1 1 1 8  22 5  f 49.9827 3.30103 5.12182      0.779668  4.33115      0.889929  43.7157     191.1       0           0           
1 1 1 8  22 6  o 77.0534 3.27629 11.5158      1.10436   10.8153      1.45941   76.4001     174.113     20.5254     174.113     
1 1 1 8  22 7  o 71.7105 3.33407 9.85343      1.04827   9.5248       1.38327   57.3648     324.725     8.68612     144.725     
1 1 1 8  22 8  o 19.0571 4.28365 0.998941     0.4751    0.209491     0.57305   1.38437     130.912     17.8667     310.912     
1 1 1 8  22 9  o 54.9295 2.98044 4.79029      0.809948  6.63275      0.864139  58.9701     351.212     27.4291     351.212     
1 1 1 8  22 10 o 23.7702 4.19937 0.899142     0.520002  1.34566      0.522096  0.547109    23.6518     34.9178     203.652     
1 1 1 8  22 11 o 29.5935 4.45337 1.58888      0.656529  1.90191      0.668549  15.7608     96.2892     13.8815     276.289     
1 1 1 8  22 12 o 16.8898 4.6383  0.408118     0.698973  0.36579      0.465173  1.26296     117.132     3.72141     297.132     
1 1 1 8  22 13 o 48.8378 3.91591 4.19305      1.06675   5.03432      0.820745  48.184      17.1871     15.7712     17.1871     
1 1 1 8  22 14 o 26.5075 4.41437 1.23906      0.634158  1.57975      0.564358  12.0429     346.689     16.7979     166.689     
1 1 1 8  22 15 o 15.979  4.24725 0.360929     0.463798  0.417135     0.490954  3.81483     314.297     29.1674     314.297     
1 1 1 8  22 16 o 79.7049 2.82783 11.7751      1.15728   12.179       1.17189   83.8256     197.934     31.185      197.934     
1 1 1 8  22 17 o 50.1548 3.59851 4.50382      0.912748  5.22538      0.928859  45.7405     195.859     7.43519     195.859     
1 1 1 8  22 18 o 24.0514 4.84591 1.21623      0.627472  1.14989      0.639833  17.3438     241.29      1.15791     241.29      
1 1 1 8  22 19 o 58.2281 3.37941 5.82944      0.98143   7.22615      1.03617   54.5323     249.906     10.5928     249.906     
1 1 1 8  22 20 o 64.3808 3.47661 8.39643      1.27401   7.57794      1.02416   50.2495     177.941     9.05129     357.941     
1 1 1 8  22 21 o 60.142  3.11596 7.72291      0.95586   6.14782      0.961582  55.6932     33.4866     9.80992     33.4866     
1 1 1 8  22 22 o 54.6324 3.16302 5.58473      0.874218  5.88333      0.901642  54.4117     15.0688     17.4288     15.0688     
1 1 1 8  22 23 o 43.8105 3.52477 3.7059       0.780699  3.80109      0.791786  43.0257     15.9283     14.1435     15.9283     
1 1 1 8  22 24 o 20.7286 4.20683 1.49815      0.560552  0.12452      0.548708  8.56858     100.034     14.0027     280.034     
1 1 1 8  22 25 o 49.9473 3.45477 5.65034      0.873679  4.1758       0.872357  43.8131     219.462     4.89128     219.462     
1 1 1 8  22 26 o 19.3527 4.63718 0.421828     0.563456  1.0279       0.584423  8.75026     188.687     10.0286     8.68659     
1 1 1 8  22 27 o 37.8614 3.27859 2.8667       0.594854  2.77548      0.660817  40.232      343.836     20.8119     343.836     
1 1 1 8  22 28 o 11.3502 3.23539 -0.390443    0.368358  0.336864     0.310938  0.796518    321.525     12.7815     321.525     
1 1 1 8  22 29 o 28.2452 3.66933 1.66374      0.553795  1.58664      0.480096  19.7542     34.1072     4.5474      214.107     
1 1 1 8  22 30 o 46.0988 3.16894 4.17951      0.744134  4.21536      0.751259  46.0607     95.0643     17.6686     95.0643     
1 1 1 8  22 31 o 33.0003 3.61522 2.19981      0.596907  2.25609      0.599916  23.2804     112.26      5.95573     292.26      
1 1 1 8  22 32 o 67.0148 2.70651 8.49113      0.901234  9.01412      0.971378  66.5306     309.28      23.4942     309.28      
1 1 1 8  22 33 o 25.5984 3.94605 2.06633      0.549548  0.836521     0.497519  15.7744     330.04      7.96746     150.04      
1 1 1 8  22 34 o 19.5175 4.30662 0.560895     0.510064  1.11352      0.496422  9.76421     220.848     9.10299     40.8475     
1 1 1 8  22 35 o 14.7662 3.88089 0.793852     0.467546  -0.183494    0.438046  7.28741     308.011     1.8938      128.011     
1 1 1 8  22 36 o 34.9783 4.39693 2.86141      0.783585  2.68599      0.752558  32.9361     268.535     12.2176     268.535     
1 1 1 8  22 37 o 15.4694 4.31471 0.546839     0.553529  0.386396     0.465061  6.00607     13.5992     0.00259231  13.6017     
1 1 1 8  22 38 o 18.3445 4.53857 0.867836     0.542246  0.735668     0.523115  10.6479     237.336     1.72288     57.336      
1 1 1 8  22 39 o 14.2145 4.14911 0.247204     0.508732  0.416055     0.488687  4.83374     13.3898     5.62271     193.39      
1 1 1 8  22 40 f 9.23069 3.1348  -0.363628    0.460976  -0.509444    0.403641  10.9235     17.4832     0           0           
1 1 1 8  22 41 o 17.2704 4.55899 1.09087      0.604672  0.365806     0.532171  8.74384     87.4018     1.43453     267.402     
1 1 1 8  22 42 o 13.4858 4.2457  0.0318166    0.589505  0.291262     0.611488  2.30805     112.921     4.14326     292.921     
1 1 1 8  22 43 o 19.4693 4.72343 1.47839      0.621312  0.495714     0.637604  10.7533     335.455     3.10545     335.455     
1 1 1 8  22 44 o 11.395  3.69296 -0.142629    0.49603   0.0205105    0.49295   0.709684    227.281     5.61446     47.2811     
1 1 1 8  22 45 o 25.6501 4.7058  2.03877      0.645653  1.53312      0.62679   17.26       46.2327     1.67774     226.233     
1 1 1 8  22 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  23 0  o 28.4016 6.62406 1.95947      0.866003  1.95947      0.866003  24.7521     9.56227e-06 4.63062     9.56228e-06 
1 1 1 8  23 1  o 12.604  3.93571 -0.129835    0.638128  -0.0291655   0.353057  3.89343     300.408     16.3522     300.408     
1 1 1 8  23 2  o 13.6374 3.68116 0.368773     0.367827  0.110112     0.369801  2.83307     250.859     16.4424     250.859     
1 1 1 8  23 3  o 75.3431 2.71773 11.0979      1.05408   10.1892      1.05986   64.3466     317.278     0.742954    137.278     
1 1 1 8  23 4  o 33.1184 3.56389 2.1312       0.592614  2.11355      0.592476  24.1731     295.092     3.69959     115.092     
1 1 1 8  23 5  o 117.802 2.66344 26.0123      1.622     25.9166      1.6266    114.012     135.171     23.7707     135.171     
1 1 1 8  23 6  o 40.5003 3.30681 3.31375      0.674151  2.96477      0.685733  23.7661     109.695     19.815      289.695     
1 1 1 8  23 7  f 25.1695 4.19803 1.28572      0.530131  1.24665      0.547549  26.1862     359.994     0           0           
1 1 1 8  23 8  o 41.0882 3.43214 2.51574      0.688353  4.05866      0.711643  30.5952     229.794     6.6978      49.7938     
1 1 1 8  23 9  o 11.9847 3.61196 -0.22145     0.393038  0.188334     0.418134  1.64604     270.258     9.43971     270.258     
1 1 1 8  23 10 o 38.9856 3.63967 3.64153      0.773764  2.3261       0.653758  40.1948     357.316     18.8777     357.316     
1 1 1 8  23 11 o 44.4409 3.79565 3.72249      0.850524  3.95874      0.862432  29.9206     357.609     14.5324     177.609     
1 1 1 8  23 12 o 21.3128 4.13676 1.41798      0.520012  0.349955     0.516261  9.00411     38.0594     12.9345     218.059     
1 1 1 8  23 13 o 15.6261 4.12892 0.127013     0.436378  0.594569     0.489252  2.46716     21.0713     13.8228     201.071     
1 1 1 8  23 14 o 28.8697 4.1345  2.46949      0.607347  0.975147     0.59836   27.7224     235.434     14.5188     235.434     
1 1 1 8  23 15 o 58.102  3.04291 6.88056      0.911638  5.98772      0.904922  43.3196     25.6803     11.9068     205.68      
1 1 1 8  23 16 o 31.1755 4.30772 1.93473      0.619463  1.98213      0.7214    22.2495     292.811     5.70988     112.811     
1 1 1 8  23 17 o 87.9233 3.47336 15.8037      1.48599   13.9647      1.64566   80.5986     351.237     11.4569     351.237     
1 1 1 8  23 18 o 40.8737 4.28543 3.4272       0.798971  3.26294      0.947654  37.0693     212.956     7.22918     212.956     
1 1 1 8  23 19 o 26.2768 4.70818 1.62809      0.616104  1.24036      0.679043  23.6731     62.5802     14.3802     62.5802     
1 1 1 8  23 20 o 18.3855 4.35775 1.28031      0.620427  -0.440208    0.596546  9.42503     201.161     5.46175     21.161      
1 1 1 8  23 21 o 20.0512 4.89721 0.70535      0.561343  0.883513     0.675519  12.3795     121.111     1.66193     301.111     
1 1 1 8  23 22 o 27.9178 4.8368  1.6823       0.645765  1.62357      0.745106  15.7105     65.1487     12.5785     245.149     
1 1 1 8  23 23 o 34.9182 4.55388 2.57799      0.764936  2.49272      0.821278  25.4779     137.591     5.12788     317.591     
1 1 1 8  23 24 o 47.2722 4.07929 5.07934      0.933787  3.9927       0.995164  41.4063     307.731     5.51447     307.731     
1 1 1 8  23 25 o 7.89347 2.79899 -1.03878     0.366913  -1.04347     0.528341  1.30729     308.624     4.33841     308.624     
1 1 1 8  23 26 o 35.721  4.7319  3.66865      0.9112    1.89719      0.775365  37.4677     293.505     20.2379     293.505     
1 1 1 8  23 27 f 54.0927 4.19668 5.86937      1.17324   6.20701      1.13853   30.2906     263.779     0           0           
1 1 1 8  23 28 o 9.36887 3.22038 -1.49051     0.550257  -0.415107    0.485423  1.55773     122.562     9.86659     122.562     
1 1 1 8  23 29 o 24.8972 4.056   1.66426      0.522724  1.00322      0.515538  20.2645     262.246     3.55542     262.246     
1 1 1 8  23 30 o 36.3817 3.69661 3.04969      0.714137  2.44871      0.639988  30.8517     91.3784     4.04282     91.3784     
1 1 1 8  23 31 o 17.941  4.30311 1.05521      0.564109  0.337658     0.421098  11.7725     209.86      0.48561     209.86      
1 1 1 8  23 32 o 14.2835 4.10015 0.318317     0.533581  0.2857       0.415145  1.1577      38.1625     17.6649     218.163     
1 1 1 8  23 33 o 32.4522 3.89323 2.17604      0.675135  2.37257      0.577177  24.2035     56.0141     2.19269     236.014     
1 1 1 8  23 34 o 25.1871 4.40078 1.88639      0.626138  1.09202      0.532296  22.799      119.201     10.6728     119.201     
1 1 1 8  23 35 o 12.2956 3.81464 -0.197612    0.493054  0.23131      0.465137  0.52114     145.762     12.8121     325.762     
1 1 1 8  23 36 o 9.28511 3.14093 -0.494522    0.464008  -0.371679    0.391917  0.887617    85.7209     6.64369     85.7209     
1 1 1 8  23 37 o 17.0602 4.33702 1.12519      0.554779  0.0660876    0.546007  9.45813     112.243     0.568248    112.243     
1 1 1 8  23 38 o 13.259  4.12936 0.20582      0.579386  0.092167     0.522328  3.69982     209.714     5.58444     29.7144     
1 1 1 8  23 39 o 33.4497 4.14891 2.51265      0.72121   2.75601      0.658391  30.223      162.77      11.1889     162.77      
1 1 1 8  23 40 f 15.1369 4.41449 0.170212     0.622097  0.666319     0.546089  3.72652     272.777     0           0           
1 1 1 8  23 41 o 10.0733 3.40826 -0.547243    0.519955  -0.316424    0.494075  0.681843    129.86      5.22882     129.86      
1 1 1 8  23 42 o 19.4471 4.91125 1.91581      0.783135  0.217014     0.604523  11.1972     359.823     0.729507    179.823     
1 1 1 8  23 43 o 13.6211 4.24505 0.697977     0.644774  -0.369685    0.582353  3.15562     71.4005     1.9417      251.401     
1 1 1 8  23 44 o 13.5463 4.15507 0.685768     0.580628  -0.447645    0.606464  3.82534     52.8926     1.49263     232.893     
1 1 1 8  24 0  o 36.4916 5.84632 2.89475      0.964318  2.89475      0.964318  29.3405     180         4.41558     2.23123e-05 
1 1 1 8  24 1  o 61.3846 4.04412 6.61079      1.24508   8.12531      1.29127   45.2515     240.686     13.6988     60.6863     
1 1 1 8  24 2  o 57.9793 3.09591 6.10452      0.971054  6.69852      0.864728  45.7332     299.123     6.69441     119.123     
1 1 1 8  24 3  o 34.7796 3.69476 3.13418      0.622863  1.69638      0.621968  30.5226     274.113     5.51049     274.113     
1 1 1 8  24 4  o 58.4907 3.00556 6.49948      0.894802  6.50021      0.91515   47.6203     313.359     3.75199     133.359     
1 1 1 8  24 5  o 62.8117 2.92897 8.37844      0.951844  6.62859      0.935738  56.6345     349.211     6.88704     349.211     
1 1 1 8  24 6  o 17.9137 4.26479 0.622608     0.45958   0.576925     0.478307  3.60955     161.803     18.1958     341.803     
1 1 1 8  24 7  o 34.723  3.71354 2.71445      0.646763  2.032        0.638146  25.7261     8.31112     5.07909     188.311     
1 1 1 8  24 8  o 36.5933 3.54505 2.74498      0.649369  2.46937      0.657705  35.0138     152.396     11.1121     152.396     
1 1 1 8  24 9  o 40.6187 3.48744 3.56082      0.708757  2.85224      0.718877  30.5789     265.91      6.22466     85.9104     
1 1 1 8  24 10 o 22.3732 4.40694 1.5083       0.602255  0.535133     0.514277  4.94911     74.8767     25.2865     254.877     
1 1 1 8  24 11 o 17.6195 4.61898 0.693889     0.561527  0.292766     0.584091  7.82738     84.0313     0.634694    84.0312     
1 1 1 8  24 12 o 51.7611 3.19299 5.4504       0.849738  4.83785      0.844125  37.988      72.4225     10.923      252.422     
1 1 1 8  24 13 o 10.63   3.43439 -0.368173    0.401109  -0.127839    0.444702  1.62671     149.5       11.851      149.5       
1 1 1 8  24 14 o 27.0102 4.29121 1.85474      0.597071  1.1492       0.585125  25.3942     172.869     12.6958     172.869     
1 1 1 8  24 15 o 45.1967 3.5705  3.66922      0.763861  4.33801      0.881903  37.1078     47.5729     0.486205    227.573     
1 1 1 8  24 16 f 61.273  3.75215 8.60276      1.07091   6.21647      1.22091   48.6738     284.476     0           0           
1 1 1 8  24 17 o 48.3    4.16813 6.17601      1.17418   3.40594      0.8671    40.5397     287.656     1.38514     287.656     
1 1 1 8  24 18 o 58.7353 3.42415 7.23729      1.12745   6.25435      0.939545  42.6642     275.027     12.6018     95.0273     
1 1 1 8  24 19 o 28.9665 4.61099 2.01788      0.653141  1.51318      0.703307  13.8597     286.719     18.3666     106.719     
1 1 1 8  24 20 o 32.0764 4.34669 1.59519      0.66552   2.73048      0.725051  32.9339     113.687     18.0072     113.687     
1 1 1 8  24 21 o 14.6229 4.41738 0.222117     0.61564   -0.00690917  0.572973  4.28378     103.764     5.29059     283.764     
1 1 1 8  24 22 o 29.3428 4.64083 2.44196      0.661026  1.25972      0.744565  19.313      138.34      7.15865     318.34      
1 1 1 8  24 23 o 25.2255 4.77507 1.52677      0.639073  1.23285      0.639572  11.6231     69.3518     15.7077     249.352     
1 1 1 8  24 24 o 41.7215 3.84287 4.381        0.808594  2.78066      0.778407  36.3302     294.306     5.6483      294.306     
1 1 1 8  24 25 o 18.7026 4.79159 0.82798      0.59375   0.555977     0.613944  6.82503     198.44      13.2852     18.4404     
1 1 1 8  24 26 o 35.8736 4.2505  2.30605      0.729301  3.18076      0.790825  34.0728     213.729     12.0056     213.729     
1 1 1 8  24 27 o 15.6337 4.47994 0.321111     0.556538  0.393432     0.573537  6.70082     90.7103     0.913911    90.7103     
1 1 1 8  24 28 o 13.2187 4.09788 0.162839     0.535204  -0.130813    0.550138  4.3349      54.6274     4.5644      234.627     
1 1 1 8  24 29 o 22.4357 5.38    0.815015     0.75658   1.60001      0.783007  11.9755     103.679     9.44416     283.679     
1 1 1 8  24 30 f 27.5858 5.27324 1.89665      0.703469  1.83121      0.850623  18.0244     90.3349     0           0           
1 1 1 8  24 31 o 18.0399 4.52355 0.388888     0.41791   1.12552      0.652848  9.87409     18.76       4.53397     18.76       
1 1 1 8  24 32 o 34.4075 3.58398 2.43318      0.643741  2.61835      0.590411  30.9171     170.22      9.1682      170.22      
1 1 1 8  24 33 o 11.9889 3.66957 -0.00694761  0.458985  0.157083     0.388569  0.702884    68.7369     1.07924     248.737     
1 1 1 8  24 34 o 29.6915 3.98896 2.48603      0.593377  1.54135      0.582637  26.9184     272.299     10.4228     272.299     
1 1 1 8  24 35 o 12.3785 3.85499 0.143188     0.494491  0.0143527    0.467155  0.972151    282.083     12.0076     102.083     
1 1 1 8  24 36 o 35.8301 3.69019 2.43494      0.659998  3.29157      0.650474  36.9652     313.672     20.9636     313.672     
1 1 1 8  24 37 o 12.826  3.92923 0.120267     0.4957    0.224152     0.47056   0.676646    265.222     12.9503     85.2215     
1 1 1 8  24 38 o 11.2127 3.62648 -0.208033    0.498044  0.0123516    0.454735  0.169342    318.77      7.85208     318.77      
1 1 1 8  24 39 o 15.594  4.58248 0.748211     0.63007   0.239294     0.614996  4.65753     217.962     1.85297     37.9621     
1 1 1 8  24 40 o 22.2841 4.92874 1.42338      0.686115  1.34088      0.582848  15.1942     216.425     2.0013      216.425     
1 1 1 8  24 41 o 20.6732 4.64848 0.484374     0.619549  1.86197      0.651906  13.9185     73.9512     2.56273     73.9512     
1 1 1 8  24 42 o 22.9529 5.08369 1.27556      0.693769  1.82055      0.681531  15.9851     60.2837     1.27303     60.2837     
1 1 1 8  24 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  25 0  o 54.4788 4.58148 5.87953      1.2456    5.87953      1.2456    34.9689     360         23.0927     180         
1 1 1 8  25 1  o 16.2183 4.61196 0.797125     0.688745  -0.748138    0.672544  6.29502     40.8443     5.33866     220.844     
1 1 1 8  25 2  o 68.4363 3.60484 10.0867      1.41802   8.12706      1.12423   57.3205     55.7761     0.680139    235.776     
1 1 1 8  25 3  f 36.5782 3.44385 2.48368      0.630144  2.73656      0.642559  35.3883     71.9834     0           0           
1 1 1 8  25 4  o 56.398  3.01721 6.13117      0.864524  6.02654      0.886071  59.0813     93.5057     24.4123     93.5057     
1 1 1 8  25 5  o 55.7342 3.09613 6.62591      0.888804  5.31344      0.877498  53.0846     233.295     13.2911     233.295     
1 1 1 8  25 6  o 36.478  3.68264 2.36813      0.666662  2.8858       0.6819    28.6842     110.66      1.86325     290.66      
1 1 1 8  25 7  o 25.9285 4.20344 1.17963      0.547965  1.57327      0.56148   22.7884     171.05      8.26728     171.05      
1 1 1 8  25 8  o 45.1816 3.28518 4.10232      0.754101  3.80992      0.761358  33.024      49.1523     8.74152     229.152     
1 1 1 8  25 9  o 23.5011 4.27696 0.598602     0.5368    1.6902       0.576126  19.3842     225.983     8.19816     225.983     
1 1 1 8  25 10 o 27.9849 4.56253 1.51953      0.691762  1.73223      0.607209  25.7075     186.584     10.3638     186.584     
1 1 1 8  25 11 o 39.1932 4.89307 3.68315      1.07681   2.75717      0.843002  35.9779     119.472     9.0801      119.472     
1 1 1 8  25 12 o 43.465  3.62389 3.52065      0.817783  3.93866      0.776947  35.1272     341.426     0.903733    161.426     
1 1 1 8  25 13 o 48.9097 3.41436 3.87506      0.798691  5.55797      0.902542  45.3764     87.2285     10.5517     87.2285     
1 1 1 8  25 14 o 29.7792 4.52998 1.10079      0.623115  2.74144      0.766583  27.5031     53.6556     10.241      53.6556     
1 1 1 8  25 15 o 16.6633 4.5502  0.64433      0.537725  0.102379     0.629465  4.96169     357.342     12.2419     177.342     
1 1 1 8  25 16 o 32.2204 4.74485 2.41205      0.715295  1.98465      0.815641  23.4973     298.646     3.77196     118.646     
1 1 1 8  25 17 o 45.4096 3.69779 4.50243      0.905514  3.75118      0.804385  38.9062     327.05      4.09407     327.05      
1 1 1 8  25 18 o 44.843  3.52026 3.99904      0.801244  3.98985      0.807734  40.6009     247.333     8.77241     247.333     
1 1 1 8  25 19 o 30.3258 4.41328 1.60503      0.65757   2.29336      0.685456  23.994      30.3785     1.11468     30.3784     
1 1 1 8  25 20 o 22.0172 4.74914 0.687226     0.615282  1.3769       0.612912  15.6534     106.805     0.664212    106.805     
1 1 1 8  25 21 o 18.4814 4.8702  0.860865     0.675817  0.451631     0.581951  6.93913     134.334     12.3367     314.334     
1 1 1 8  25 22 o 20.2785 4.29767 -0.0299266   0.58102   1.57864      0.600943  13.3079     189.228     1.6647      9.22838     
1 1 1 8  25 23 o 48.6003 3.69164 5.32129      0.94125   4.34993      0.886136  45.3165     155.975     12.4666     155.975     
1 1 1 8  25 24 o 8.53025 2.95453 -1.05559     0.432506  -0.525763    0.447298  2.24961     284.242     10.9383     284.242     
1 1 1 8  25 25 o 26.9455 4.97212 1.48274      0.682615  1.88149      0.72533   12.5004     108.441     16.8013     288.441     
1 1 1 8  25 26 o 10.8379 3.58298 -0.67999     0.496322  -0.103263    0.518828  1.42199     343.78      6.07568     163.78      
1 1 1 8  25 27 o 16.9633 4.70633 0.408343     0.613133  0.683776     0.604768  7.41085     147.462     8.54        327.462     
1 1 1 8  25 28 o 13.5294 4.2523  -0.378531    0.665579  0.260148     0.577818  4.45167     27.7222     5.48639     207.722     
1 1 1 8  25 29 o 19.36   5.22002 0.342097     0.762014  1.31366      0.773846  12.6338     312.517     1.45175     312.517     
1 1 1 8  25 30 o 25.171  5.17096 1.71253      0.712902  1.51396      0.719599  17.8807     248.452     0.460299    68.4516     
1 1 1 8  25 31 o 10.938  3.66465 -0.245823    0.541792  -0.632099    0.579886  3.89731     122.244     20.7357     122.244     
1 1 1 8  25 32 o 18.8551 4.94792 0.515824     0.707894  1.17119      0.64575   11.7409     248.826     1.93228     248.826     
1 1 1 8  25 33 o 22.9462 5.21183 1.58121      0.663307  1.25818      0.777847  17.8363     216.613     5.5143      216.613     
1 1 1 8  25 34 o 28.6719 4.27409 2.52168      0.63511   1.45819      0.604717  28.1496     62.5663     18.5963     62.5663     
1 1 1 8  25 35 o 34.8424 3.80924 3.11657      0.69873   2.41552      0.631433  35.1706     356.457     20.2788     356.457     
1 1 1 8  25 36 o 8.10731 2.81748 -0.768947    0.452619  -0.560653    0.368797  0.856704    107.688     2.87943     107.688     
1 1 1 8  25 37 o 10.0285 3.32173 0.160934     0.48052   -0.977961    0.421525  1.05027     94.205      7.15227     94.205      
1 1 1 8  25 38 o 13.8326 4.19232 0.0105006    0.569085  0.515452     0.539415  3.3405      234.272     4.36023     54.2722     
1 1 1 8  25 39 o 25.9925 4.56799 1.23911      0.648233  2.38503      0.638471  21.7029     276.258     8.75969     276.258     
1 1 1 8  25 40 o 8.09132 2.84995 -1.43403     0.443088  -0.462526    0.474444  0.517312    232.814     2.46044     232.814     
1 1 1 8  25 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  26 0  o 60.4593 4.23744 7.18357      1.29587   7.18357      1.29587   64.7938     2.44888e-10 27.6951     2.44888e-10 
1 1 1 8  26 1  o 48.0845 4.67853 4.78575      1.13509   4.73767      1.13536   39.463      198.502     0.204221    198.503     
1 1 1 8  26 2  o 59.2812 4.26254 6.48503      1.27385   7.70483      1.30231   44.8049     260.645     8.63603     80.6454     
1 1 1 8  26 3  o 14.5243 4.00031 0.0503632    0.492243  0.447161     0.412109  4.04749     357.043     7.06564     177.043     
1 1 1 8  26 4  o 12.2269 3.708   -0.121934    0.438558  0.139397     0.414718  0.771426    340.166     9.28318     160.166     
1 1 1 8  26 5  o 50.7114 3.33846 5.54523      0.9065    4.51829      0.827584  38.4462     255.193     6.60919     75.1932     
1 1 1 8  26 6  o 45.5    3.51281 3.90922      0.785514  4.24497      0.844931  40.0889     154.651     6.12723     154.651     
1 1 1 8  26 7  o 35.994  3.92817 2.59772      0.677291  2.62512      0.73988   32.5085     176.803     8.0903      176.803     
1 1 1 8  26 8  o 44.7581 3.48245 3.69322      0.761361  4.21142      0.82826   49.618      292.477     27.9703     292.477     
1 1 1 8  26 9  o 77.4897 3.04457 11.6487      1.15952   11.5409      1.27275   72.9009     157.365     17.3253     157.365     
1 1 1 8  26 10 o 22.1543 4.45698 0.302085     0.644416  1.62238      0.583558  16.4749     264.683     3.41239     264.683     
1 1 1 8  26 11 o 40.5469 4.43164 4.58135      0.871631  2.36713      0.860481  36.162      102.578     7.58036     102.578     
1 1 1 8  26 12 o 15.8515 4.37897 0.392224     0.496105  0.365145     0.546446  6.18513     348.795     4.42715     168.795     
1 1 1 8  26 13 o 30.0208 4.64823 2.27557      0.680934  1.57805      0.731527  24.2995     319.712     2.63936     319.712     
1 1 1 8  26 14 o 27.2569 4.83351 1.78004      0.670932  1.44167      0.698438  16.3547     94.7874     9.24169     274.787     
1 1 1 8  26 15 o 24.286  4.55741 1.46768      0.585822  1.06907      0.59093   20.7954     88.7046     8.72522     88.7046     
1 1 1 8  26 16 o 15.0294 4.43112 0.153162     0.560241  0.296909     0.587953  2.263       264.665     15.4542     84.6651     
1 1 1 8  26 17 o 10.6249 3.51034 -0.338747    0.502398  -0.380116    0.452548  0.321446    359         2.76664     179         
1 1 1 8  26 18 o 14.372  4.21705 0.225503     0.511522  0.210696     0.520267  3.34433     156.248     11.5382     336.248     
1 1 1 8  26 19 o 26.9403 4.36035 2.67238      0.677198  0.581306     0.650593  20.1956     264.708     0.522441    84.7084     
1 1 1 8  26 20 o 20.3627 4.60407 0.36065      0.588211  1.38364      0.608744  14.388      142.361     7.79366     142.361     
1 1 1 8  26 21 o 27.1441 4.78247 2.01351      0.686434  1.34249      0.670672  26.9365     310.144     18.4477     310.144     
1 1 1 8  26 22 o 18.8889 4.77418 -0.13768     0.731043  1.30836      0.658679  9.44001     135.707     7.93828     315.707     
1 1 1 8  26 23 o 12.8457 4.08262 -0.0264856   0.576316  -0.110976    0.559361  4.11569     147.858     4.52964     327.858     
1 1 1 8  26 24 o 16.8737 4.32921 -0.349245    0.566423  1.16521      0.603065  6.2214      237.557     11.1729     57.5573     
1 1 1 8  26 25 o 18.6811 4.88785 0.821842     0.625356  0.744417     0.630224  4.88342     216.462     2.81414     216.462     
1 1 1 8  26 26 o 15.9657 4.58615 0.622269     0.589293  0.232961     0.621019  7.09995     238.244     4.8533      58.244      
1 1 1 8  26 27 o 34.0418 4.66157 2.40527      0.775795  3.05319      0.809287  24.6686     237.723     2.7023      57.7233     
1 1 1 8  26 28 o 21.3018 5.12015 0.588266     0.783378  1.62862      0.700542  14.8633     24.2246     2.32468     24.2245     
1 1 1 8  26 29 o 16.1367 4.79024 0.282037     0.593126  0.706626     0.756826  6.69647     252.946     5.71107     72.9455     
1 1 1 8  26 30 o 12.8262 4.03509 -0.800403    0.558463  0.517428     0.610415  2.34451     262.645     1.81948     82.6446     
1 1 1 8  26 31 o 14.6019 4.52029 0.337986     0.677256  0.200833     0.625789  3.93852     303.801     0.327868    123.801     
1 1 1 8  26 32 o 15.1295 4.68065 0.282055     0.699498  0.412095     0.698039  4.06929     224.797     9.51074     44.7968     
1 1 1 8  26 33 o 17.0265 4.96411 0.904914     0.674401  0.367397     0.803886  6.68614     227.561     6.13125     47.5613     
1 1 1 8  26 34 o 11.5717 3.92896 -0.920304    0.59721   -0.025903    0.737845  0.174663    20.3096     2.38791     200.31      
1 1 1 8  26 35 o 15.1597 4.63366 0.426454     0.667827  0.406681     0.666207  3.11551     329.194     0.878849    149.194     
1 1 1 8  26 36 o 15.4246 4.22948 0.811614     0.516573  0.250106     0.484371  5.78662     190.608     2.93524     10.6084     
1 1 1 8  26 37 o 21.3443 4.58624 0.69736      0.627665  1.76562      0.596806  11.8494     259.731     5.08562     79.7312     
1 1 1 8  26 38 o 22.7543 4.7854  1.43907      0.627611  1.41904      0.585304  17.6317     296.609     6.39166     296.609     
1 1 1 8  26 39 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  27 0  o 18.751  7.00454 1.09812      0.909392  1.09812      0.909392  8.75895     360         12.3483     180         
1 1 1 8  27 1  o 57.6255 4.88536 7.33074      1.3289    6.68102      1.50345   47.4026     104.482     0.859739    104.483     
1 1 1 8  27 2  o 35.9208 6.03327 2.26514      1.20779   3.69414      1.05938   25.1983     74.7847     6.24843     254.785     
1 1 1 8  27 3  o 54.8744 4.6783  5.71347      1.45058   6.83765      1.01829   43.5631     354.262     2.21049     174.262     
1 1 1 8  27 4  o 15.8015 4.1738  0.630583     0.455453  0.11362      0.5153    6.45452     73.5782     1.77744     253.578     
1 1 1 8  27 5  o 14.5714 4.23128 0.214624     0.463     0.248274     0.560385  4.22505     282.671     7.61591     102.671     
1 1 1 8  27 6  o 44.8687 3.54013 4.25777      0.7884    3.77457      0.823379  36.0856     50.2001     0.157407    230.2       
1 1 1 8  27 7  o 42.4473 3.67342 3.95328      0.766007  3.30212      0.803769  38.7371     72.4498     9.74366     72.4498     
1 1 1 8  27 8  o 27.5106 4.38491 1.28048      0.610318  1.95738      0.619295  25.1479     302.866     10.3785     302.866     
1 1 1 8  27 9  o 34.7984 4.04978 2.70607      0.708501  2.31115      0.699197  31.2716     345.275     8.31058     345.275     
1 1 1 8  27 10 o 42.7311 3.85161 3.85897      0.775042  3.59465      0.879722  36.8346     45.259      5.39939     45.259      
1 1 1 8  27 11 o 20.8339 5.25888 1.38938      0.757392  0.27676      0.798838  8.94687     25.1956     12.5705     205.196     
1 1 1 8  27 12 o 22.9074 4.88402 1.43626      0.630571  0.873232     0.65885   18.989      128.705     8.02275     128.705     
1 1 1 8  27 13 f 30.5116 4.47087 2.16328      0.705792  1.8635       0.662584  19.2586     60.5181     0           0           
1 1 1 8  27 14 o 44.7378 3.71152 4.99359      0.829713  3.27107      0.819548  42.0368     39.0242     12.8728     39.0242     
1 1 1 8  27 15 o 23.6492 4.54162 0.715549     0.585257  1.78393      0.624474  17.7666     273.627     1.08014     273.627     
1 1 1 8  27 16 o 18.9657 4.75626 1.20699      0.643679  0.174914     0.635614  12.1988     323.107     0.73541     143.107     
1 1 1 8  27 17 o 16.7833 4.65235 0.512503     0.628271  0.50101      0.551749  6.44889     73.0925     10.1836     253.092     
1 1 1 8  27 18 o 16.3637 4.56132 0.494745     0.572001  0.45752      0.566979  7.98476     20.3662     5.28477     200.366     
1 1 1 8  27 19 o 30.2202 4.62936 2.78346      0.725181  1.44365      0.704875  20.2438     221.223     6.22241     41.2226     
1 1 1 8  27 20 o 19.6085 4.77473 1.33203      0.648595  0.345021     0.617984  14.2333     251.275     3.41904     251.275     
1 1 1 8  27 21 o 20.0025 5.01149 0.957647     0.657883  0.919398     0.642591  11.6829     125.303     4.41358     305.303     
1 1 1 8  27 22 o 9.47442 3.23909 -0.699748    0.475349  -0.529326    0.49226   0.58147     220.676     6.86389     220.676     
1 1 1 8  27 23 o 17.1672 4.69943 1.37856      0.770017  -0.393043    0.57766   4.6271      108.888     14.2567     288.888     
1 1 1 8  27 24 o 19.1834 4.81485 1.68764      0.771107  -0.0213225   0.585378  11.9107     346.374     3.14272     346.374     
1 1 1 8  27 25 o 8.88402 3.09398 -1.12855     0.467785  -0.563374    0.520602  2.83554     7.24493     12.524      7.24493     
1 1 1 8  27 26 o 33.353  4.67939 2.43434      0.768589  2.91418      0.792306  33.4507     103.018     18.7428     103.018     
1 1 1 8  27 27 o 14.8142 4.24881 -1.20146     0.69939   0.965438     0.609307  5.79452     294.731     1.83781     114.731     
1 1 1 8  27 28 o 16.6541 4.99333 0.636323     0.752729  0.497289     0.743974  1.95366     107.934     0.682946    107.934     
1 1 1 8  27 29 o 16.6023 4.82453 0.811498     0.659376  0.37009      0.702292  6.75315     320.535     6.01263     140.535     
1 1 1 8  27 30 o 19.4521 5.09044 0.55287      0.712956  1.45044      0.723081  10.5516     271.151     3.01311     271.151     
1 1 1 8  27 31 o 12.5232 4.07885 0.143005     0.630113  -0.332019    0.60361   0.984143    139.346     4.19356     319.346     
1 1 1 8  27 32 o 13.342  4.21872 0.671611     0.677716  -0.90452     0.624473  2.03037     305.867     7.05201     125.867     
1 1 1 8  27 33 o 16.2088 4.91841 0.712217     0.732838  0.43595      0.759086  5.86095     122.476     5.77288     302.477     
1 1 1 8  27 34 o 16.5171 4.68678 -0.323948    0.718666  1.30259      0.701017  5.60655     218.582     0.966453    218.582     
1 1 1 8  27 35 o 13.3515 4.17231 0.773498     0.642731  -1.22738     0.69115   3.53814     161.47      4.58567     341.47      
1 1 1 8  27 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  28 0  o 15.2908 6.28504 0.689054     0.818545  0.689054     0.818545  6.62797     180         9.21052     2.23096e-05 
1 1 1 8  28 1  f 17.5398 5.1734  0.638316     0.791171  0.145197     0.794313  19.504      115.963     0           0           
1 1 1 8  28 2  o 16.7014 4.73865 -0.948424    0.712417  1.09346      0.768402  5.67326     354.894     1.92682     354.894     
1 1 1 8  28 3  o 31.1494 5.95011 2.77904      1.02204   1.93804      0.964134  23.9932     278.567     0.410063    278.567     
1 1 1 8  28 4  o 27.8493 4.56705 1.72463      0.696544  1.67707      0.596923  19.8479     45.4489     2.76866     225.449     
1 1 1 8  28 5  o 32.8201 4.21687 2.96051      0.672546  1.69013      0.687084  23.3247     191.752     4.64899     11.7521     
1 1 1 8  28 6  o 18.2378 4.63879 0.686284     0.548827  0.671496     0.569941  5.34783     39.1872     2.88618     39.1872     
1 1 1 8  28 7  o 43.8197 3.65662 4.46127      0.812328  3.43801      0.802658  34.4583     155.545     0.909487    335.545     
1 1 1 8  28 8  o 21.8584 4.7882  1.40393      0.604043  0.698479     0.653414  17.5697     206.896     6.16772     206.896     
1 1 1 8  28 9  o 23.8269 4.62413 2.07346      0.671784  0.413108     0.686493  20.8231     165.247     8.84773     165.247     
1 1 1 8  28 10 o 18.074  4.88849 0.786031     0.653421  0.493781     0.632506  9.00692     245.602     6.76473     65.6019     
1 1 1 8  28 11 f 34.3015 5.18611 4.17836      1.00707   1.55046      0.843668  21.8884     98.9945     0           0           
1 1 1 8  28 12 o 37.0916 4.23778 3.61267      0.770379  2.39045      0.775233  29.1437     80.7959     0.173649    80.7958     
1 1 1 8  28 13 o 42.6066 4.08214 4.96677      0.904325  2.93269      0.815824  38.4663     16.5508     9.93089     16.5507     
1 1 1 8  28 14 o 19.2508 4.79879 1.02223      0.623997  0.637968     0.578236  13.8957     21.625      3.73943     21.625      
1 1 1 8  28 15 o 15.435  4.61325 0.525538     0.613611  -0.0625115   0.706135  4.87293     123.25      10.6445     303.25      
1 1 1 8  28 16 o 18.9108 5.08808 1.20357      0.7335    0.258623     0.729747  7.9946      38.7058     10.5844     218.706     
1 1 1 8  28 17 o 19.3416 4.58843 0.0689575    0.581261  1.51552      0.662107  10.7892     114.747     5.80146     114.747     
1 1 1 8  28 18 o 20.569  5.10562 1.20546      0.64179   0.815989     0.744357  7.69834     45.5243     14.1548     225.524     
1 1 1 8  28 19 o 28.3319 4.93228 2.65169      0.755479  1.3274       0.743607  26.6126     199.117     14.2206     199.117     
1 1 1 8  28 20 o 13.3402 3.87304 0.812726     0.565322  -1.2917      0.517278  1.45433     10.7535     0.706087    190.754     
1 1 1 8  28 21 o 10.9352 3.62184 -0.645101    0.512956  -0.0611535   0.531903  0.55478     30.6161     5.49416     210.616     
1 1 1 8  28 22 o 39.519  4.62601 4.97617      0.885793  2.52981      0.873544  34.9755     39.9907     9.99256     39.9907     
1 1 1 8  28 23 o 24.5845 4.75164 2.35062      0.709505  0.729788     0.685905  12.3082     111.966     11.3399     291.966     
1 1 1 8  28 24 o 18.0481 4.839   1.08372      0.647519  0.4616       0.639609  10.5608     55.0359     1.99333     55.0359     
1 1 1 8  28 25 o 18.8081 5.19185 0.627367     0.812158  1.1533       0.707363  10.7567     61.9433     0.935129    241.943     
1 1 1 8  28 26 o 23.9804 5.39961 2.41596      0.885927  0.949565     0.692667  17.4009     266.724     3.12284     266.724     
1 1 1 8  28 27 o 16.0947 4.87239 0.450707     0.805848  0.55948      0.656105  4.209       200.926     10.6136     20.9261     
1 1 1 8  28 28 o 24.4606 5.61048 1.42099      0.756086  2.17898      0.882215  17.3202     126.632     8.8722      126.632     
1 1 1 8  28 29 o 11.145  3.75123 -0.580124    0.584291  -0.21636     0.607363  0.281354    234.371     7.37943     234.371     
1 1 1 8  28 30 o 12.6925 4.07228 -0.433246    0.623544  0.315949     0.585414  1.0749      72.5455     1.84096     252.545     
1 1 1 8  28 31 o 9.6133  3.3385  -1.03345     0.557636  -0.547468    0.585028  0.164194    59.3286     1.64058     59.3286     
1 1 1 8  28 32 o 21.6014 5.46741 1.75181      0.754957  1.17825      0.872905  11.269      129.594     6.39355     309.594     
1 1 1 8  28 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  28 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  29 0  o 11.886  5.46724 0.14705      0.811155  0.14705      0.811155  2.51109     180         1.87612     360         
1 1 1 8  29 1  o 20.5911 5.14274 1.88157      0.858404  -0.255136    0.769132  13.7593     50.2975     1.02061     230.297     
1 1 1 8  29 2  o 45.2697 5.52394 6.57739      1.24792   3.41885      1.18956   37.7566     17.6918     4.44136     17.6918     
1 1 1 8  29 3  o 21.0379 5.68835 0.690212     0.843992  1.39217      0.912684  15.8278     77.5092     4.84553     77.5092     
1 1 1 8  29 4  o 19.1071 5.472   0.681228     0.817135  0.823126     0.867233  12.7873     96.6306     4.48104     96.6306     
1 1 1 8  29 5  o 13.7428 3.74633 -0.57913     0.444941  0.740798     0.473344  1.3238      293.884     15.7898     113.884     
1 1 1 8  29 6  o 16.7411 3.84942 1.26059      0.528841  -0.672721    0.520886  7.69173     23.6953     7.2791      203.695     
1 1 1 8  29 7  f 32.03   4.74622 2.53976      0.718177  2.17589      0.805822  22.1907     239.088     0           0           
1 1 1 8  29 8  o 37.6525 4.57813 3.45195      0.843726  2.95155      0.872158  28.9077     50.7011     0.538345    230.701     
1 1 1 8  29 9  o 31.732  4.68405 2.69937      0.773967  1.96347      0.720123  29.7287     54.0394     12.4116     54.0394     
1 1 1 8  29 10 o 31.5402 4.81618 2.70101      0.795195  1.97591      0.737789  24.3324     33.1683     1.03145     33.1683     
1 1 1 8  29 11 f 17.848  4.97006 1.01075      0.70631   0.216401     0.706578  4.7106      304.463     0           0           
1 1 1 8  29 12 o 14.0879 4.23978 0.43913      0.564812  -0.0726673   0.545606  4.1786      64.6185     1.67074     244.618     
1 1 1 8  29 13 o 10.6887 3.57306 -0.365482    0.527181  -0.431622    0.516834  0.269261    96.8882     9.26227     96.8882     
1 1 1 8  29 14 o 16.9832 4.63484 0.590231     0.570792  0.631938     0.585205  5.90491     167.001     1.62267     167.001     
1 1 1 8  29 15 o 16.8394 4.70728 0.752544     0.584835  0.360391     0.664701  5.67939     333.914     10.4582     153.914     
1 1 1 8  29 16 o 15.3827 4.63292 0.275328     0.661059  0.415603     0.639532  5.88798     239.228     4.78027     59.2281     
1 1 1 8  29 17 o 32.8596 4.68798 2.811        0.796621  2.36369      0.74607   29.7978     26.8288     11.3972     26.8288     
1 1 1 8  29 18 o 29.056  4.98346 2.19162      0.748434  2.04209      0.737592  25.3713     218.861     19.7838     218.861     
1 1 1 8  29 19 o 19.5438 4.9564  0.55145      0.650491  1.3567       0.682934  10.4424     353.105     5.1376      173.105     
1 1 1 8  29 20 o 16.3989 4.66965 0.40726      0.615857  0.724401     0.615135  7.88551     146.871     0.131855    146.871     
1 1 1 8  29 21 o 21.1798 4.82877 1.8082       0.685334  0.48405      0.663922  13.3262     287.572     1.3577      107.572     
1 1 1 8  29 22 o 16.9082 4.76655 0.395808     0.640812  0.896821     0.64359   7.20398     202.766     5.02058     22.7663     
1 1 1 8  29 23 o 13.2029 4.20187 -0.22521     0.613918  0.290283     0.613838  2.00348     197.881     7.38356     17.8808     
1 1 1 8  29 24 f 18.5875 4.65019 1.6707       0.703442  -0.14159     0.637257  4.37521     358.224     0           0           
1 1 1 8  29 25 o 19.252  4.77863 0.077157     0.685677  1.67464      0.698774  9.81957     311.957     2.98328     131.957     
1 1 1 8  29 26 o 9.7083  3.34985 -0.284054    0.564249  -1.2647      0.538067  1.23003     238.961     7.05956     238.961     
1 1 1 8  29 27 o 14.9454 4.7222  -0.361483    0.78269   0.76239      0.782856  1.63586     16.8349     0.290195    196.835     
1 1 1 8  29 28 o 14.872  4.77493 0.297302     0.817052  0.280882     0.783286  3.39016     200.035     0.698701    20.0348     
1 1 1 8  29 29 o 13.4481 4.31859 -0.175756    0.688621  0.33802      0.646615  3.40934     99.0339     5.21179     279.034     
1 1 1 8  29 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  29 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  30 0  o 17.3753 6.85876 1.09043      0.921317  1.09043      0.921317  8.65619     180         8.18124     360         
1 1 1 8  30 1  o 14.2419 4.54227 0.56126      0.773948  -1.01695     0.751667  4.05091     8.21232     6.01194     188.212     
1 1 1 8  30 2  o 29.3754 6.14682 2.88182      1.0218    1.99025      1.02455   24.815      278.221     8.13929     278.221     
1 1 1 8  30 3  o 22.5994 5.95214 1.61111      0.943986  1.21788      0.933288  14.6642     61.2743     0.909016    241.274     
1 1 1 8  30 4  o 15.902  4.9894  -0.0229553   0.836973  0.462928     0.820016  5.99069     24.9504     5.92919     204.95      
1 1 1 8  30 5  o 34.4426 5.01398 4.74847      1.07248   1.46955      0.723714  31.3801     238.49      11.9535     238.49      
1 1 1 8  30 6  o 21.1185 5.06132 1.05469      0.648469  1.18512      0.672053  14.8779     94.1677     4.58165     94.1677     
1 1 1 8  30 7  o 27.2868 5.2458  1.83042      0.742847  1.9713       0.77997   19.51       184.31      0.360911    4.30997     
1 1 1 8  30 8  o 24.4697 5.0062  1.11402      0.722476  1.90937      0.678804  18.8386     286.277     4.24911     286.277     
1 1 1 8  30 9  o 16.2891 4.64102 0.637318     0.603851  0.409874     0.607637  7.50243     31.8276     1.12517     211.828     
1 1 1 8  30 10 o 11.2195 3.69223 -0.532733    0.515019  -0.0317014   0.538877  0.913615    143.838     4.95319     323.838     
1 1 1 8  30 11 o 44.0268 4.90676 5.58713      1.06473   3.83404      1.06012   41.1316     296.737     15.5207     296.737     
1 1 1 8  30 12 o 11.6231 3.79394 0.161184     0.559209  -0.812107    0.561228  1.24898     330.213     7.15535     150.213     
1 1 1 8  30 13 o 16.512  4.47767 1.12912      0.627351  -0.221828    0.602509  7.00934     209.491     1.59293     209.491     
1 1 1 8  30 14 o 14.6686 4.37546 0.674326     0.604843  -0.179916    0.601387  5.3858      35.3126     4.63535     215.313     
1 1 1 8  30 15 o 26.5307 5.30829 1.992        0.736721  1.8028       0.796786  20.5667     182.743     4.14331     182.743     
1 1 1 8  30 16 o 11.8645 3.88344 0.277151     0.615235  -0.946512    0.567213  1.06202     253.553     2.72308     73.5527     
1 1 1 8  30 17 o 18.8974 5.09423 1.01337      0.698525  0.863514     0.688121  10.1531     281.373     1.96729     101.373     
1 1 1 8  30 18 o 17.7515 4.90492 0.636808     0.64454   0.923061     0.668739  6.28275     179.713     1.49428     179.713     
1 1 1 8  30 19 o 19.5533 4.73845 0.0655069    0.682303  1.72436      0.69309   8.51386     319.51      8.10244     139.51      
1 1 1 8  30 20 o 13.022  4.12132 0.435437     0.609413  -0.460318    0.5846    1.40481     115.149     6.15546     295.149     
1 1 1 8  30 21 o 27.6996 5.1173  2.47774      0.76921   1.66602      0.740406  20.4804     129.132     3.0349      129.132     
1 1 1 8  30 22 o 10.5102 3.55952 -0.0647543   0.576376  -1.0552      0.549161  0.0651814   276.289     1.58045     276.289     
1 1 1 8  30 23 o 16.6427 4.81099 0.845306     0.671515  0.474973     0.657273  6.83582     91.1589     3.58806     271.159     
1 1 1 8  30 24 f 16.5998 4.81945 0.408013     0.689325  0.906849     0.669313  0.655752    100.348     0           0           
1 1 1 8  30 25 o 12.4399 4.08929 -0.136943    0.647017  -0.0427631   0.627448  2.05644     68.4634     5.4942      248.463     
1 1 1 8  30 26 o 11.9667 4.0069  -0.827034    0.779895  0.00961394   0.606949  1.16576     14.5093     1.61295     194.509     
1 1 1 8  30 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  31 0  o 9.43905 4.62252 -0.366373    0.777728  -0.366373    0.777728  0.584765    180         6.38659     180         
1 1 1 8  31 1  o 22.4645 5.62684 2.46582      0.973517  0.204238     0.955382  15.849      214.633     2.49879     214.633     
1 1 1 8  31 2  o 18.5552 5.44806 0.188974     0.8698    1.38204      0.928736  10.051      121.614     2.30642     301.614     
1 1 1 8  31 3  o 29.5914 6.11392 4.00399      1.10257   1.31166      1.41949   21.8662     248.048     1.2477      248.048     
1 1 1 8  31 4  o 22.2646 6.31107 0.591        1.09659   2.55798      1.24407   15.6193     41.0535     5.4984      41.0535     
1 1 1 8  31 5  o 21.7405 6.32103 0.650031     1.11486   2.36864      1.25988   10.3972     276.379     8.77332     96.3785     
1 1 1 8  31 6  o 22.9913 5.27768 1.78432      0.797     1.13965      0.648139  12.1577     19.5529     7.77983     199.553     
1 1 1 8  31 7  o 27.6333 5.02385 2.26534      0.719777  1.70766      0.744467  20.2117     324.596     1.22953     324.595     
1 1 1 8  31 8  o 10.0207 3.38725 -1.12717     0.487049  -0.0374998   0.525678  0.983101    257.296     8.51581     257.296     
1 1 1 8  31 9  o 23.3049 4.57452 2.37096      0.702976  0.361283     0.681119  15.0755     195.101     9.73993     195.101     
1 1 1 8  31 10 o 24.0098 5.2184  1.56322      0.714321  1.57781      0.710246  15.9971     21.845      0.247152    201.845     
1 1 1 8  31 11 o 20.4429 5.40742 1.44197      0.847253  0.940716     0.696679  12.1066     284.413     0.558068    284.413     
1 1 1 8  31 12 o 21.8803 5.48887 0.958234     0.705325  1.85851      0.873545  13.9176     111.654     1.5682      111.654     
1 1 1 8  31 13 o 20.234  5.06686 0.875178     0.679749  1.33952      0.674462  11.5957     3.96609     0.818571    3.96609     
1 1 1 8  31 14 o 19.318  5.20957 1.25888      0.745007  0.775939     0.722564  9.52436     187.019     2.77773     7.01852     
1 1 1 8  31 15 o 21.7555 5.45535 1.68576      0.778006  1.05026      0.811954  12.1786     19.5848     3.12636     199.585     
1 1 1 8  31 16 o 13.3828 4.28967 0.225932     0.651113  -0.137579    0.642179  1.78091     340.149     2.98814     160.149     
1 1 1 8  31 17 o 21.4542 5.06187 0.663452     0.709124  1.87411      0.730172  11.6572     13.7309     4.46661     193.731     
1 1 1 8  31 18 o 13.7402 4.33239 -0.00395227  0.62505   0.339448     0.635009  2.45671     298.689     2.3115      118.689     
1 1 1 8  31 19 o 14.9195 4.54691 0.725848     0.673488  -0.0113144   0.641213  4.72554     15.0948     3.01637     195.095     
1 1 1 8  31 20 o 13.2908 4.1711  -0.650267    0.614113  0.632488     0.628972  2.19835     197.129     1.7019      17.1287     
1 1 1 8  31 21 f 21.6982 5.42634 1.25604      0.772475  1.64247      0.767331  13.4862     274.853     0           0           
1 1 1 8  31 22 o 16.1633 4.73465 0.898957     0.66851   0.286335     0.665071  7.44635     313.624     0.824587    133.624     
1 1 1 8  31 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  32 0  o 7.51364 3.90199 -2.29349     1.02335   -2.29349     1.02335   2.71728     360         7.86169     360         
1 1 1 8  32 1  o 15.2927 5.03684 0.473071     0.896553  -0.804466    1.18385   3.2175      77.9723     2.07971     257.972     
1 1 1 8  32 2  o 21.875  6.31263 2.60247      1.23404   0.472717     1.24264   12.4014     184         1.3582      4.00005     
1 1 1 8  32 3  o 22.6723 6.50999 2.60748      1.24797   1.00192      1.30119   7.42094     256.714     4.08026     256.714     
1 1 1 8  32 4  f 12.2366 4.19685 0.271355     0.890588  -1.80953     0.689563  2.04363     49.0366     0           0           
1 1 1 8  32 5  o 13.8229 4.61622 0.619689     0.961326  -1.32054     0.771349  2.04689     78.0969     3.20038     258.097     
1 1 1 8  32 6  o 14.2945 4.68531 0.273164     0.85538   -0.314517    0.803441  1.40027     254.063     1.07956     74.0625     
1 1 1 8  32 7  o 18.0103 4.79722 0.906282     0.591291  0.732719     0.637639  8.46669     144.442     1.40484     324.442     
1 1 1 8  32 8  o 14.6402 4.15122 -1.08004     0.602614  1.0667       0.614125  3.84206     106.603     5.96473     286.603     
1 1 1 8  32 9  o 13.4154 4.13337 -0.749381    0.598599  0.674238     0.607518  1.14548     73.2395     1.19182     253.239     
1 1 1 8  32 10 o 23.8222 5.23627 2.11441      0.766111  1.12799      0.723974  16.744      304.679     3.22075     304.679     
1 1 1 8  32 11 o 13.6531 4.31692 0.160568     0.622594  0.163313     0.629317  2.61792     133.427     2.93921     313.427     
1 1 1 8  32 12 o 11.8896 4.0484  -0.595324    0.775795  -0.434574    0.703092  0.700338    334.15      2.23297     154.15      
1 1 1 8  32 13 o 12.1885 4.00639 0.0612582    0.620496  -0.341373    0.608931  1.32654     34.4407     7.03286     214.441     
1 1 1 8  32 14 o 11.635  3.86215 0.259646     0.632068  -1.0752      0.60329   0.952941    92.7734     3.03496     272.773     
1 1 1 8  32 15 o 15.4308 4.77604 0.469941     0.702236  0.438873     0.75422   5.68495     198.515     4.58181     18.5152     
1 1 1 8  32 16 f 19.4736 5.37612 0.932953     0.810356  1.34382      0.781454  14.5065     89.8736     0           0           
1 1 1 8  32 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  32 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  32 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  33 0  o 7.75835 4.01013 -1.87059     0.994894  -1.87059     0.994894  0.478364    180         1.75442     180         
1 1 1 8  33 1  o 17.0716 5.79026 0.737812     1.78843   0.296774     1.17323   7.33852     169.925     0.802616    349.925     
1 1 1 8  33 2  o 14.7854 5.08105 -1.03038     1.77562   -0.0163114   0.865838  3.31702     95.9338     0.739585    275.934     
1 1 1 8  33 3  o 14.0809 4.7405  -0.0259944   1.02661   -0.272962    0.863453  2.75997     316.193     1.07773     136.193     
1 1 1 8  33 4  o 20.2652 5.84664 0.79169      0.959362  1.93184      1.03503   10.0687     111.09      4.8872      111.09      
1 1 1 8  33 5  o 17.6542 5.45141 1.03039      0.950129  0.629958     0.944866  7.85043     290.292     1.8116      290.292     
1 1 1 8  33 6  o 16.257  5.13251 0.949898     0.911764  0.00265858   0.892539  5.95073     63.9985     6.88193     243.998     
1 1 1 8  33 7  o 18.9776 5.47786 0.91289      0.933582  1.22929      0.805934  10.9335     254.75      0.715973    254.75      
1 1 1 8  33 8  o ?       ?       ?            ?         ?            ?         16.6106     83.6765     0           0           
1 1 1 8  33 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  33 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 8  33 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  0  1  o 17.0603 5.07399 0.754129     0.451493  0.754129     0.451493  74.4859     270         154.994     270         
1 1 1 9  0  2  o 238.345 2.18634 104.18       2.70016   104.18       2.70016   246.684     4.88859e-06 10.1289     4.8886e-06  
1 1 1 9  0  3  o 200.322 2.1312  73.604       2.21188   73.604       2.21188   81.9083     270         242.198     90          
1 1 1 9  0  4  o 228.882 2.17358 96.0751      2.57775   96.0751      2.57775   370.072     360         281.485     360         
1 1 1 9  0  5  o 293.961 2.28775 158.452      3.48505   158.452      3.48505   398.47      270         201.765     270         
1 1 1 9  0  6  o 90.2416 2.18494 14.9793      1.01934   14.9793      1.01934   24.7191     180         121.241     2.23118e-05 
1 1 1 9  0  7  o 258.318 2.57913 122.393      3.45195   122.393      3.45195   291.639     90          61.0915     90          
1 1 1 9  0  8  o 409.342 2.96653 307.279      6.29307   307.279      6.29307   449.087     3.22155e-06 71.5116     3.22155e-06 
1 1 1 9  0  9  o 109.072 2.51474 21.8775      1.41837   21.8775      1.41837   90.9854     270         19.0624     90          
1 1 1 9  0  10 o 276.242 2.63475 139.965      3.77122   139.965      3.77122   230.774     180         94.9999     1.0369e-05  
1 1 1 9  0  11 o 343.625 2.78591 216.553      4.96083   216.553      4.96083   437.118     270         182.886     270         
1 1 1 9  0  12 o 199.692 2.51248 73.1707      2.59886   73.1707      2.59886   237.081     180         73.1664     180         
1 1 1 9  0  13 o 42.2831 3.39873 3.40326      0.720098  3.40326      0.720098  10.8644     90.0001     31.3546     90.0001     
1 1 1 9  0  14 o 416.615 2.60002 318.278      5.61391   318.278      5.61391   527.12      180         220.164     180         
1 1 1 9  0  15 o 11.3304 4.70006 0.272242     0.464705  0.272242     0.464705  44.5169     90          90.6378     90          
1 1 1 9  0  16 o 40.4995 2.97858 3.104        0.608416  3.104        0.608416  19.6411     8.58025e-06 55.1739     8.58025e-06 
1 1 1 9  0  17 o 54.4233 2.54796 5.50186      0.711465  5.50186      0.711465  27.7416     270         123.234     270         
1 1 1 9  0  18 o 62.0305 2.44662 7.12092      0.781049  7.12092      0.781049  25.9022     180         151.324     180         
1 1 1 9  0  19 o 129.688 2.51455 30.912       1.68753   30.912       1.68753   125.469     90          3.06694     270         
1 1 1 9  0  20 o 18.2046 5.6011  0.871563     0.547591  0.871563     0.547591  22.3941     360         47.8115     360         
1 1 1 9  0  21 o 21.8595 4.88186 1.10403      0.486142  1.10403      0.486142  29.9504     90          67.703      90          
1 1 1 9  0  22 o 29.3304 4.4313  1.77939      0.59184   1.77939      0.59184   15.1191     9.02678e-06 43.8773     9.02678e-06 
1 1 1 9  0  23 o 19.0085 5.56243 0.932793     0.544492  0.932793     0.544492  10.6035     270         25.4232     270         
1 1 1 9  0  24 o 17.3994 5.74299 0.815002     0.57725   0.815002     0.57725   13.5493     180         32.2487     180         
1 1 1 9  0  25 o 34.3325 3.47521 2.2935       0.581789  2.2935       0.581789  0.35704     90          31.6797     270         
1 1 1 9  0  26 o 23.5242 5.28156 1.28317      0.566631  1.28317      0.566631  48.8588     8.67029e-06 131.269     8.67029e-06 
1 1 1 9  0  27 o 128.645 2.39869 30.431       1.59704   30.431       1.59704   98.2061     270         52.2657     90          
1 1 1 9  0  28 o 85.4029 2.73265 13.4713      1.20407   13.4713      1.20407   52.5031     1.59285e-10 59.4744     180         
1 1 1 9  0  29 f 48.5906 2.996   4.4338       0.74085   4.4338       0.74085   2.52138     89.9994     0           0           
1 1 1 9  0  30 o 84.3642 2.57513 13.1381      1.12135   13.1381      1.12135   50.2656     180         60.7242     8.65155e-06 
1 1 1 9  0  31 o 65.4569 2.75113 7.95128      0.925841  7.95128      0.925841  4.90557     90          114.802     270         
1 1 1 9  0  32 o 49.9136 2.87348 4.66722      0.731753  4.66722      0.731753  4.79707     180         84.7482     8.65152e-06 
1 1 1 9  0  33 o 225.593 2.33096 93.5048      2.72448   93.5048      2.72448   204.871     90          16.1363     270         
1 1 1 9  0  34 o 248.022 2.37205 113.059      3.04836   113.059      3.04836   282.909     180         99.6583     180         
1 1 1 9  0  35 o 81.7619 2.44967 12.353       1.03397   12.353       1.03397   114.924     270         77.9127     270         
1 1 1 9  0  36 o 21.6188 5.96286 1.18983      0.637585  1.18983      0.637585  10.7938     180         55.503      180         
1 1 1 9  0  37 f 10.9169 4.79224 0.157111     0.542897  0.157111     0.542897  33.3232     270         0           0           
1 1 1 9  0  38 o 47.363  2.9095  4.23237      0.701388  4.23237      0.701388  41.7329     180         3.83469     360         
1 1 1 9  0  39 o 45.2967 3.20491 3.90912      0.733912  3.90912      0.733912  34.084      270         14.9229     90          
1 1 1 9  0  40 o 50.9228 3.2315  4.92332      0.836436  4.92332      0.836436  68.3308     0           44.4536     0           
1 1 1 9  0  41 o 30.2102 4.09114 1.87739      0.572645  1.87739      0.572645  23.2453     270         7.69115     90          
1 1 1 9  0  42 o 7.18825 3.49174 -0.280836    0.422492  -0.280836    0.422492  0.893641    180         2.20943     180         
1 1 1 9  0  43 o 49.1829 3.38753 4.65179      0.843539  4.65179      0.843539  46.7979     90          5.27531     90          
1 1 1 9  0  44 o 28.5138 4.42993 1.73427      0.573044  1.73427      0.573044  21.4338     180         8.02135     360         
1 1 1 9  0  45 o 32.2972 3.93153 2.12956      0.599731  2.12956      0.599731  36.5986     90          15.9655     90          
1 1 1 9  0  46 o 37.2999 4.1092  2.82555      0.737047  2.82555      0.737047  33.4981     180         1.18117     180         
1 1 1 9  0  47 o 4.94205 2.55581 -0.987075    0.407712  -0.987075    0.407712  5.35713     270         12.4414     270         
1 1 1 9  0  48 o 20.7324 5.51697 1.13097      0.554394  1.13097      0.554394  14.0405     180         7.37075     8.65139e-06 
1 1 1 9  0  49 o 30.4722 4.40104 1.99137      0.614774  1.99137      0.614774  23.0236     270         6.71972     90          
1 1 1 9  0  50 o 28.6418 4.7677  1.83706      0.614877  1.83706      0.614877  33.3676     360         17.7792     360         
1 1 1 9  0  51 o 12.4288 5.07754 0.438201     0.529159  0.438201     0.529159  1.7908      90          0.465385    270         
1 1 1 9  0  52 o 13.6165 5.35571 0.578005     0.559347  0.578005     0.559347  5.10617     5.50081e-06 0.718469    5.50081e-06 
1 1 1 9  0  53 o 21.1534 5.77264 1.26822      0.600149  1.26822      0.600149  2.58265     89.9999     1.95697     89.9999     
1 1 1 9  0  54 o 8.28131 4.06952 -0.377075    0.616324  -0.377075    0.616324  0.366574    180         1.97715     180         
1 1 1 9  0  55 o 13.8451 5.51454 0.654245     0.602292  0.654245     0.602292  4.10953     90          0.31144     270         
1 1 1 9  0  56 o 19.246  6.08356 1.21688      0.645299  1.21688      0.645299  16.0801     180         2.48331     180         
1 1 1 9  0  57 o 10.5805 4.91736 0.156045     0.681477  0.156045     0.681477  0.337847    90          3.58662     270         
1 1 1 9  0  58 f 17.4939 6.09672 1.10253      0.660843  1.10253      0.660843  11.1663     180         0           0           
1 1 1 9  0  59 o 10.9607 5.11684 0.213654     0.750756  0.213654     0.750756  0.428959    270         9.40651     90          
1 1 1 9  0  60 o 30.6597 5.58219 2.45518      0.766699  2.45518      0.766699  35.4606     180         22.2548     180         
1 1 1 9  1  0  o 86.3574 2.18461 13.7219      0.975077  13.7219      0.975077  30.311      270         5.55344     89.9999     
1 1 1 9  1  1  o 495.508 2.79461 452.125      7.18123   448.285      7.1747    617.118     176.321     240.207     176.321     
1 1 1 9  1  2  o 393.261 2.51141 286.559      5.12603   280.552      5.11272   361.762     154.67      64.2727     334.67      
1 1 1 9  1  3  o 583.004 3.06464 624.057      9.26489   622.543      9.25815   531.032     21.4066     113.124     201.407     
1 1 1 9  1  4  o 402.274 2.53821 297.816      5.29619   295.585      5.28925   506.064     93.4165     210.849     93.4165     
1 1 1 9  1  5  o 286.071 2.26868 147.872      3.36138   152.208      3.36652   243.328     351.432     80.0897     171.432     
1 1 1 9  1  6  o 48.5671 2.73657 3.9516       0.681962  4.77312      0.679092  4.5686      240.741     16.336      240.741     
1 1 1 9  1  7  o 202.14  2.29431 73.7123      2.40414   76.1207      2.40338   169.108     17.8373     52.1421     197.837     
1 1 1 9  1  8  o 356.476 2.81361 226.459      5.18834   239.677      5.20718   360.051     213.274     11.7288     213.274     
1 1 1 9  1  9  o 482.009 3.49511 426.454      8.73539   425.903      8.72996   503.181     171.819     42.8278     171.82      
1 1 1 9  1  10 o 374.598 2.86229 258.706      5.55609   255.961      5.55956   403.102     312.358     63.2592     312.357     
1 1 1 9  1  11 o 344.566 2.57864 219.706      4.60669   215.713      4.60443   352.699     194.287     24.2769     194.287     
1 1 1 9  1  12 o 420.467 2.89504 319.645      6.05508   328.868      6.56064   483.221     313.711     133.111     313.711     
1 1 1 9  1  13 o 476.428 2.95106 418.652      7.292     414.011      7.28378   562.355     216.717     179.427     216.717     
1 1 1 9  1  14 o 236.266 2.3729  101.936      2.90478   102.791      2.9074    172.741     191.149     114.202     11.149      
1 1 1 9  1  15 o 157.631 2.23994 44.6334      1.88526   46.5046      1.77047   84.3358     205.452     128.475     25.4523     
1 1 1 9  1  16 o 261.525 2.26735 127.954      3.07707   122.938      3.06959   234.767     18.3921     38.536      198.392     
1 1 1 9  1  17 o 126.492 2.17164 30.9058      1.43158   27.8408      1.41299   115.553     259.323     21.0783     259.323     
1 1 1 9  1  18 o 131.567 2.25188 31.666       1.58437   31.8568      1.48387   115.063     81.4232     1.86412     81.4233     
1 1 1 9  1  19 o 13.4321 3.98933 -0.416269    0.513526  0.273971     0.485234  19.9079     69.0985     40.9993     69.0985     
1 1 1 9  1  20 o 242.57  2.73167 109.611      3.59312   106.435      3.27305   222.11      228.451     23.8621     48.451      
1 1 1 9  1  21 o 289.019 2.60523 150.109      3.74361   156.639      4.06143   281.451     325.457     1.4941      325.457     
1 1 1 9  1  22 f 111.501 2.4681  23.7641      1.37795   21.9479      1.46494   61.1465     109.345     0           0           
1 1 1 9  1  23 f 119.7   2.69535 27.6824      1.60774   25.0421      1.72176   149.59      70.219      0           0           
1 1 1 9  1  24 f 210.592 2.5003  82.0197      2.61693   80.8909      2.83581   147.364     57.1022     0           0           
1 1 1 9  1  25 o 63.8305 2.51981 7.03539      0.794955  7.99658      0.866368  53.5863     225.116     9.66342     225.116     
1 1 1 9  1  26 o 150.127 2.20888 41.814       1.72143   40.964       1.71636   163.665     156.178     44.6353     156.178     
1 1 1 9  1  27 o 132.77  2.22814 33.4754      1.54041   31.2952      1.52567   144.213     105.897     41.4873     105.897     
1 1 1 9  1  28 o 49.2519 2.68096 4.42852      0.683071  4.54446      0.675072  5.19423     19.8233     94.4664     19.8234     
1 1 1 9  1  29 o 135.208 2.24514 33.8442      1.57836   33.324       1.56869   125.775     225.453     1.45418     45.4532     
1 1 1 9  1  30 o 150.121 2.25778 42.2208      1.76458   40.6036      1.74904   108.406     335.586     65.982      155.586     
1 1 1 9  1  31 o 32.9516 3.70929 2.27476      0.597625  1.84302      0.61982   5.71436     10.7075     27.0142     190.707     
1 1 1 9  1  32 o 128.39  2.37806 29.8067      1.52385   30.8688      1.63826   94.9265     292.127     48.8971     112.127     
1 1 1 9  1  33 o 79.5004 2.55266 12.2081      1.01338   11.1235      1.07899   69.0061     21.673      2.37588     201.673     
1 1 1 9  1  34 o 85.887  2.52476 13.3378      1.0874    13.8913      1.15575   48.8641     16.5797     57.5335     196.58      
1 1 1 9  1  35 o 86.0236 2.60035 13.7694      1.16149   13.5846      1.15221   48.0727     47.7218     60.1214     227.722     
1 1 1 9  1  36 o 114.736 2.74596 22.6156      1.61618   26.1936      1.64032   104.477     73.9421     1.3243      253.942     
1 1 1 9  1  37 o 45.1287 3.66627 3.63908      0.87839   4.07156      0.79424   31.0765     75.6281     15.6232     255.628     
1 1 1 9  1  38 o 163.713 2.43008 48.5711      2.13088   50.6838      1.98708   163.899     139.456     27.7461     139.456     
1 1 1 9  1  39 o 48.6491 3.04152 3.99774      0.752087  4.92922      0.759542  45.2187     174.11      7.69531     174.11      
1 1 1 9  1  40 o 53.8547 2.94806 5.66969      0.816708  5.24805      0.815444  16.3402     135.047     63.0126     315.047     
1 1 1 9  1  41 o 74.6812 2.62999 10.9259      1.05082   9.98527      0.979418  79.4009     74.7142     26.366      74.7142     
1 1 1 9  1  42 o 24.9564 4.06048 0.691283     0.531108  1.84905      0.541876  18.9906     293.199     7.17181     293.199     
1 1 1 9  1  43 o 19.9588 4.75807 0.855046     0.589765  0.678154     0.579867  11.3        254.946     0.826447    254.946     
1 1 1 9  1  44 o 43.3437 3.10926 3.52248      0.686342  3.70129      0.691223  38.7951     280.778     2.70651     280.778     
1 1 1 9  1  45 o 47.4867 3.18025 4.31653      0.782262  4.3989       0.764298  49.0415     168.787     16.4848     168.787     
1 1 1 9  1  46 o 41.0037 3.49654 3.71888      0.78469   2.93817      0.672909  32.8809     273.578     4.24353     93.5783     
1 1 1 9  1  47 o 34.8019 4.01571 2.92516      0.687826  2.05082      0.694082  33.5967     29.2732     9.92447     29.2732     
1 1 1 9  1  48 o 45.2754 3.20947 4.36021      0.731613  3.72966      0.747968  40.0984     64.972      3.50936     64.972      
1 1 1 9  1  49 o 15.3908 4.31914 0.481277     0.527664  0.204337     0.508897  5.97822     260.69      0.171627    80.6904     
1 1 1 9  1  50 o 40.6478 3.50553 3.12566      0.716829  3.61761      0.726402  43.855      220.495     20.7905     220.495     
1 1 1 9  1  51 o 31.7002 4.16149 1.97552      0.653511  2.39517      0.662049  20.5459     155.863     10.9606     335.863     
1 1 1 9  1  52 o 45.6368 3.39766 3.49825      0.75561   5.2292       0.805211  47.8131     105.109     20.2306     105.109     
1 1 1 9  1  53 o 27.9936 4.39359 2.63823      0.662078  1.11134      0.62503   23.7604     150.357     3.6417      150.357     
1 1 1 9  1  54 o 12.9825 4.09896 0.542238     0.641442  -0.84043     0.567766  3.3491      57.9615     2.63207     237.962     
1 1 1 9  1  55 o 14.118  4.36729 0.267413     0.581817  0.207265     0.635256  4.53933     32.116      0.935797    212.116     
1 1 1 9  1  56 o 11.7717 3.87891 -0.336421    0.601479  -0.0449153   0.563864  1.71161     146.288     9.0783      326.288     
1 1 1 9  1  57 o 11.9618 3.95707 -0.971995    0.554561  0.405548     0.683901  1.54901     92.021      5.8608      272.021     
1 1 1 9  1  58 o 14.4328 4.50577 0.380384     0.68629   0.302116     0.633822  3.98587     326.193     3.68798     146.193     
1 1 1 9  1  59 f 23.1498 5.53375 2.15949      0.816733  1.39832      0.806588  16.6048     282.901     0           0           
1 1 1 9  1  60 f 26.1255 5.29266 2.03728      0.754596  2.16431      0.753534  12.0719     201.549     0           0           
1 1 1 9  2  0  o 733.487 3.56315 986.536      13.546    986.536      13.546    855.746     90          225.508     90          
1 1 1 9  2  1  o 302.697 2.29815 168.011      3.60636   167.945      3.60548   325.853     103.847     53.151      103.847     
1 1 1 9  2  2  o 169.119 2.09861 53.9167      1.84359   50.9676      1.83502   73.3591     276.197     179.853     96.197      
1 1 1 9  2  3  o 193.467 2.12454 69.6795      2.13397   67.5616      2.12695   170.884     354.113     29.7633     174.113     
1 1 1 9  2  4  o 223.529 2.31195 93.7614      2.68473   89.4692      2.67208   229.406     98.3068     26.2732     98.3068     
1 1 1 9  2  5  o 161.29  2.24975 46.0782      1.87737   49.3346      1.88303   111.181     268.83      82.8738     88.8304     
1 1 1 9  2  6  o 477.255 3.16164 419.843      7.82629   415.612      7.81673   482.468     133.927     8.67424     133.927     
1 1 1 9  2  7  o 345.491 2.76983 219.145      4.96198   218.607      4.95893   325.816     15.9025     35.0997     195.903     
1 1 1 9  2  8  o 71.0262 2.67709 8.2262       0.966009  10.3902      0.990412  5.80009     241.484     14.1742     61.4838     
1 1 1 9  2  9  o 394.056 2.91372 290.237      5.96009   279.34       5.94189   383.915     143.513     16.4363     323.513     
1 1 1 9  2  10 o 309.553 2.69689 174.667      4.32483   176.766      4.32993   271.475     14.8555     68.501      194.856     
1 1 1 9  2  11 f 429.97  2.92499 335.968      6.75462   342.162      6.26987   322.147     41.5581     0           0           
1 1 1 9  2  12 o 203.317 2.34    77.5666      2.64276   74.0466      2.2838    185.104     23.2899     18.4681     203.29      
1 1 1 9  2  13 o 375.734 2.58875 257.303      5.21032   260.501      4.86547   377.175     289.182     11.9766     289.182     
1 1 1 9  2  14 o 440.209 2.96439 361.456      7.0355    349.554      6.48982   458.464     356.275     45.5656     356.275     
1 1 1 9  2  15 o 164.052 2.4017  48.3055      1.95722   50.4211      2.12688   169.236     25.73       40.9189     25.73       
1 1 1 9  2  16 o 432.146 3.11489 350.032      6.37123   335.474      7.51042   445.271     354.047     38.4974     354.047     
1 1 1 9  2  17 o 109.593 2.28114 23.1747      1.25354   20.9507      1.328     63.2495     293.033     60.3393     113.033     
1 1 1 9  2  18 o 91.2445 2.32474 14.1606      1.05339   16.4681      1.1423    34.1275     193.61      77.8689     13.6103     
1 1 1 9  2  19 o 253.142 2.61571 119.985      3.441     115.246      3.42287   236.111     354.644     16.5022     174.644     
1 1 1 9  2  20 o 169.391 2.74824 51.8192      2.4198    53.5444      2.40566   154.427     151.523     9.49946     331.523     
1 1 1 9  2  21 o 47.8102 2.86123 3.54305      0.691713  4.97483      0.696846  10.6567     155.524     78.6392     155.524     
1 1 1 9  2  22 o 192.245 2.35549 71.0372      2.36507   64.7241      2.32731   237.079     309.158     109.306     309.158     
1 1 1 9  2  23 o 55.6604 2.52777 5.5576       0.724541  5.87023      0.725974  34.3432     280.347     8.44655     280.347     
1 1 1 9  2  24 o 170.298 2.28529 54.2239      2.09053   52.2835      1.94367   177.999     288.337     30.8498     288.337     
1 1 1 9  2  25 o 55.9154 2.68237 6.2962       0.778316  5.27104      0.763748  36.1852     281.661     11.8373     101.661     
1 1 1 9  2  26 o 28.1309 3.77223 2.07681      0.514023  1.00437      0.532723  26.5287     130.71      87.7777     130.71      
1 1 1 9  2  27 o 55.4329 2.60002 6.62378      0.749013  4.79592      0.724986  38.4102     293.856     1.24397     293.856     
1 1 1 9  2  28 o 55.9895 2.58488 5.58991      0.746363  5.98762      0.745069  35.7011     130.274     17.9051     310.274     
1 1 1 9  2  29 o 104.711 2.29409 20.0292      1.24639   20.2994      1.2409    83.0384     44.8203     27.4028     224.82      
1 1 1 9  2  30 o 30.6647 3.77221 2.71079      0.57178   1.02692      0.54869   2.23672     121.236     9.42451     301.236     
1 1 1 9  2  31 o 110.151 2.31093 22.4175      1.32473   22.2274      1.31132   93.7308     95.7764     16.0369     275.776     
1 1 1 9  2  32 o 68.0309 2.52558 8.58076      0.888454  8.4974       0.886561  49.5077     33.8778     19.9485     213.878     
1 1 1 9  2  33 o 220.485 2.32842 91.4123      2.67148   87.4925      2.65032   213         157.731     13.5445     157.731     
1 1 1 9  2  34 o 98.3091 2.39299 17.1974      1.2175    18.4513      1.21658   99.1235     97.3785     21.8341     97.3785     
1 1 1 9  2  35 o 117.77  2.33791 26.6633      1.43485   24.5182      1.41562   111.072     200.873     6.59772     200.873     
1 1 1 9  2  36 o 59.617  3.10192 7.05775      0.967434  6.20697      0.935007  67.6862     315.01      35.3293     315.01      
1 1 1 9  2  37 o 49.2965 3.38362 5.07785      0.868777  4.08881      0.833599  56.3004     78.4199     34.1277     78.4199     
1 1 1 9  2  38 o 90.6095 2.68959 15.5955      1.22451   14.9378      1.29333   89.6656     303.924     15.7214     303.924     
1 1 1 9  2  39 o 48.7423 3.1528  5.11044      0.729434  3.88689      0.815741  52.2001     214.956     23.7266     214.956     
1 1 1 9  2  40 o 68.3167 2.69562 9.69966      0.920622  7.81269      0.965972  68.9136     19.544      17.1103     19.544      
1 1 1 9  2  41 o 12.884  3.87969 0.343306     0.513563  -0.622785    0.479353  2.31729     183.251     12.5331     183.251     
1 1 1 9  2  42 o 27.287  4.23483 1.58494      0.605148  1.41382      0.5603    10.6987     336.221     23.6269     156.221     
1 1 1 9  2  43 o 47.1908 3.44618 4.34384      0.832306  4.27375      0.829432  40.7877     326.933     0.363292    146.933     
1 1 1 9  2  44 o 33.3859 3.85142 2.2843       0.660795  2.14262      0.626485  21.4216     304.711     14.0704     124.711     
1 1 1 9  2  45 o 39.3605 3.79525 2.50406      0.760096  3.68667      0.704717  42.9658     264.993     20.1459     264.993     
1 1 1 9  2  46 o 33.907  3.73114 1.82791      0.614681  2.82797      0.635077  30.3442     144.797     4.33153     144.797     
1 1 1 9  2  47 o 13.5585 4.10312 0.102669     0.510196  0.0465122    0.516668  3.4177      225.974     4.31897     45.9745     
1 1 1 9  2  48 o 59.1475 2.86192 7.23648      0.877623  6.34164      0.864288  56.6735     303.77      12.125      303.77      
1 1 1 9  2  49 o 33.8287 3.88847 1.84011      0.628287  2.94635      0.672632  33.4337     157.495     12.0501     157.495     
1 1 1 9  2  50 o 29.8989 4.15673 1.85267      0.624034  1.97943      0.61827   27.3174     275.056     6.82024     275.056     
1 1 1 9  2  51 o 63.3233 2.89903 7.9826       0.942028  7.94876      0.950855  63.2763     175.84      19.7854     175.84      
1 1 1 9  2  52 o 20.2569 4.81603 1.03856      0.607535  0.908695     0.588457  15.2385     32.1864     1.07344     32.1864     
1 1 1 9  2  53 f 24.3132 4.76819 1.60846      0.631756  1.28065      0.618171  13.31       138.447     0           0           
1 1 1 9  2  54 o 17.3003 4.74103 0.293841     0.649005  0.994247     0.62576   6.09563     342.352     12.3978     162.352     
1 1 1 9  2  55 f 23.3659 4.33572 2.53972      0.696306  0.153538     0.655272  15.2485     149.952     0           0           
1 1 1 9  2  56 o 16.1381 4.70296 0.895855     0.669012  0.233292     0.637568  7.3678      160.553     6.11631     340.553     
1 1 1 9  2  57 o 13.6438 4.23021 -0.244988    0.599366  0.57502      0.601155  3.35342     194.678     2.71997     14.6782     
1 1 1 9  2  58 o 13.5893 4.36573 0.23978      0.695731  0.0698103    0.643165  2.75024     197.044     3.32436     17.0436     
1 1 1 9  2  59 o 10.2171 3.5309  -0.16543     0.629805  -1.40211     0.616688  0.0735019   187.599     1.36921     7.59854     
1 1 1 9  2  60 o 9.11377 3.19899 -0.95292     0.58464   -0.910475    0.573487  0.324894    349.89      4.90936     349.89      
1 1 1 9  3  0  o 67.9206 2.59386 8.53016      0.907102  8.53016      0.907102  3.5685      270         73.6445     89.9999     
1 1 1 9  3  1  o 664.221 3.83011 823.399      13.2045   795.443      13.1677   783.23      183.265     229.772     183.265     
1 1 1 9  3  2  o 179.711 2.42287 60.7869      2.2629    57.6573      2.25027   170.843     302.292     2.40331     302.292     
1 1 1 9  3  3  o 285.469 2.60378 145.41       3.8433    153.482      3.86097   215.923     113.593     134.053     293.593     
1 1 1 9  3  4  o 179.566 2.53803 56.5675      2.44158   61.7272      2.26916   90.8876     245.886     165.481     65.8859     
1 1 1 9  3  5  o 403.221 3.06222 298.211      6.67177   298.123      6.11713   484.545     185.85      167.057     185.85      
1 1 1 9  3  6  o 281.241 2.72593 146.791      4.14845   143.292      3.79546   371.512     258.003     198.474     258.003     
1 1 1 9  3  7  o 208.929 2.4771  80.2         2.68506   79.8698      2.68035   202.592     22.6378     4.02394     22.6377     
1 1 1 9  3  8  o 310.775 2.59436 179.904      4.01943   174.304      4.32787   405.314     354.483     204.212     354.483     
1 1 1 9  3  9  o 200.09  2.40588 74.2964      2.40257   72.522       2.5824    212.297     50.2338     46.1199     50.2338     
1 1 1 9  3  10 o 425.363 3.05033 327.839      6.14372   335.885      7.27303   450.916     274.727     56.7588     274.727     
1 1 1 9  3  11 o 121.212 2.40177 26.5949      1.45416   27.3302      1.56037   87.9183     243.283     32.155      63.2829     
1 1 1 9  3  12 o 140.985 2.14534 37.4836      1.57207   35.4177      1.56288   72.582      322.089     116.471     142.089     
1 1 1 9  3  13 o 110.853 2.18802 21.479       1.25111   23.6462      1.25917   70.6837     131.752     44.113      311.752     
1 1 1 9  3  14 o 80.2295 2.29161 12.0048      0.954522  11.6425      0.947537  20.6592     314.714     69.8903     134.714     
1 1 1 9  3  15 o 260.672 2.34978 128.818      3.07004   120.493      3.26773   323.551     257.736     148.443     257.736     
1 1 1 9  3  16 o 59.263  2.64878 6.14755      0.803856  6.7985       0.81406   69.7497     281.948     232.196     281.948     
1 1 1 9  3  17 o 79.0227 2.45862 10.9494      1.0021    12.0191      1.00565   25.3763     228.887     51.0777     48.8869     
1 1 1 9  3  18 o 389.558 2.72703 280.796      5.5055    276.238      5.50765   443.093     346.8       124.949     346.8       
1 1 1 9  3  19 o 134.72  2.63025 35.8791      1.76466   30.8684      1.8872    105.107     267.712     35.0005     87.7121     
1 1 1 9  3  20 o 146.408 2.74557 38.8853      2.08429   39.8867      2.07903   91.6896     285.052     92.0999     105.052     
1 1 1 9  3  21 o 126.372 2.43843 29.9268      1.66608   28.7547      1.52476   73.7233     273.743     89.2206     93.7429     
1 1 1 9  3  22 o 248.236 2.279   113.402      2.93336   112.82       2.93165   218.375     15.1355     44.5317     195.135     
1 1 1 9  3  23 o 155.06  2.19441 43.6341      1.7636    44.6389      1.76382   120.083     67.854      56.933      247.854     
1 1 1 9  3  24 o 69.6388 2.38004 8.72417      0.854726  9.13185      0.858204  48.0697     279.289     24.5279     99.2887     
1 1 1 9  3  25 o 147.045 2.45049 40.8215      1.94302   38.6363      1.79266   129.26      124.237     20.2416     304.237     
1 1 1 9  3  26 o 112.84  2.40739 23.4546      1.40557   23.373       1.40744   82.592      241.361     45.3789     61.3609     
1 1 1 9  3  27 o 94.7696 2.29043 16.4274      1.12533   16.6075      1.12164   98.7985     168.998     28.8932     168.998     
1 1 1 9  3  28 o 258.426 2.33651 123.978      3.13577   121.437      3.12396   256.547     169.956     20.1111     169.956     
1 1 1 9  3  29 o 13.3708 3.97038 0.131328     0.49544   -0.0430323   0.436735  26.8291     320.229     60.5962     320.229     
1 1 1 9  3  30 o 61.9234 2.57127 6.77102      0.821167  7.38702      0.82099   55.1352     117.185     7.23289     117.185     
1 1 1 9  3  31 o 123.685 2.29343 27.9396      1.47174   28.3435      1.46642   116.522     280.658     3.96954     280.657     
1 1 1 9  3  32 o 125.67  2.29935 29.2498      1.49984   28.872       1.49331   108.886     192.507     14.5308     12.5071     
1 1 1 9  3  33 o 44.6339 2.95443 4.08641      0.683459  3.34522      0.663803  26.522      117.845     6.69854     297.845     
1 1 1 9  3  34 o 177.526 2.30567 59.0218      2.12663   57.0452      2.11652   169.386     145.574     9.54079     145.574     
1 1 1 9  3  35 o 89.388  2.40516 14.8224      1.11528   14.6867      1.10953   97.6028     148.049     35.5882     148.049     
1 1 1 9  3  36 o 77.5986 2.88463 11.7015      1.16909   10.6789      1.14257   72.7981     165.021     5.93719     165.021     
1 1 1 9  3  37 o 52.6001 3.16083 4.70663      0.838242  5.68497      0.865058  51.2313     101.843     11.9498     101.843     
1 1 1 9  3  38 o 60.1263 2.78537 7.83005      0.880702  5.7444       0.835816  60.0637     112.105     14.9881     112.105     
1 1 1 9  3  39 o 50.5663 2.79505 4.47509      0.72197   5.12081      0.729333  44.7784     154.75      2.51812     154.75      
1 1 1 9  3  40 o 65.6359 2.58409 8.18729      0.881653  7.92097      0.869746  64.8503     177.828     13.9305     177.828     
1 1 1 9  3  41 o 42.5559 3.16151 3.20846      0.668611  3.70739      0.70456   41.4243     102.181     11.0329     102.181     
1 1 1 9  3  42 o 50.1876 3.36684 4.93248      0.875261  4.74621      0.855584  58.8509     69.7164     32.2104     69.7164     
1 1 1 9  3  43 o 29.1487 4.49219 1.38008      0.664901  2.11192      0.660625  25.9104     179.705     5.48392     179.705     
1 1 1 9  3  44 o 33.124  4.04766 1.74378      0.640315  2.69853      0.691164  21.4207     189.465     13.4567     9.4649      
1 1 1 9  3  45 o 29.2856 4.06941 1.73251      0.577202  1.75252      0.614032  22.951      39.6349     2.24628     219.635     
1 1 1 9  3  46 o 23.0768 4.45303 1.09615      0.543963  1.14186      0.550953  19.6759     129.453     10.3268     129.453     
1 1 1 9  3  47 o 29.0236 4.27423 1.79667      0.630556  1.7233       0.613753  30.826      304.468     19.2983     304.468     
1 1 1 9  3  48 o 13.595  4.08342 -0.814373    0.533346  0.54063      0.592118  3.12395     109.999     2.5459      289.999     
1 1 1 9  3  49 o 29.3817 4.34556 1.89606      0.667809  1.80437      0.613213  14.6445     43.8155     19.1042     223.816     
1 1 1 9  3  50 o 49.6419 3.22498 4.1139       0.798011  5.8429       0.823008  57.3583     218.586     32.0839     218.586     
1 1 1 9  3  51 o 24.7933 4.58592 2.15274      0.690295  0.742806     0.582265  24.579      186.954     13.6925     186.954     
1 1 1 9  3  52 f 15.7427 4.40087 0.86346      0.608334  -0.0668603   0.524387  15.9061     327.816     0           0           
1 1 1 9  3  53 o 28.6528 4.48651 2.32722      0.659829  1.55539      0.646566  24.2979     116.467     3.73944     116.467     
1 1 1 9  3  54 o 41.8764 4.03624 4.86112      0.882719  3.14777      0.800292  43.2122     137.91      19.4475     137.91      
1 1 1 9  3  55 o 15.5364 4.62535 0.868041     0.697161  -0.0371494   0.619034  7.40738     328.765     0.742838    148.765     
1 1 1 9  3  56 o 28.7013 4.82746 2.62485      0.716361  1.73136      0.722597  25.0016     337.305     6.70157     337.305     
1 1 1 9  3  57 o 19.3014 4.37258 1.86649      0.651318  -0.142567    0.614632  12.5405     230.36      2.92606     230.36      
1 1 1 9  3  58 o 17.102  4.78121 0.294177     0.64429   1.20414      0.678954  6.6455      109.079     1.16465     109.079     
1 1 1 9  3  59 f 15.1218 4.70661 0.849515     0.766014  0.133631     0.678471  10.3239     269.867     0           0           
1 1 1 9  3  60 o 20.1258 5.33116 1.93568      0.80996   0.774302     0.799478  8.16508     281.54      12.4433     101.54      
1 1 1 9  4  0  o 208.69  2.44822 79.8989      2.64676   79.8989      2.64676   265.724     270         110.163     270         
1 1 1 9  4  1  o 176.041 2.52113 56.2758      2.20156   57.3682      2.39718   66.6929     80.9256     207.507     260.926     
1 1 1 9  4  2  o 402.598 3.0521  299.141      6.08635   295.355      6.63688   468.346     60.0683     135.687     60.0683     
1 1 1 9  4  3  f 336.973 3.04497 211.044      4.78237   205.454      5.79261   374.834     312.704     0           0           
1 1 1 9  4  4  f 394.091 3.03266 284.042      5.91118   285.596      6.46802   261.611     222.037     0           0           
1 1 1 9  4  5  o 720.423 4.05179 962.557      15.1449   942.146      15.1159   787.818     16.2624     128.987     16.2624     
1 1 1 9  4  6  o 285.629 2.5279  151.464      3.60432   147.725      3.87261   295.852     236.207     31.1524     236.207     
1 1 1 9  4  7  o 60.8029 2.38917 6.50651      0.750023  7.09858      0.7489    106.596     226.507     314.514     226.507     
1 1 1 9  4  8  o 164.283 2.12668 50.9403      1.81704   48.0405      1.80421   129.583     197.461     48.551      17.4608     
1 1 1 9  4  9  o 141.536 2.13171 36.5483      1.56681   36.9063      1.56105   145.263     304.326     88.4056     304.326     
1 1 1 9  4  10 o 219.942 2.33743 86.9941      2.66263   90.4186      2.66646   168.523     328.665     89.0302     148.665     
1 1 1 9  4  11 o 311.881 2.50719 179.946      4.05894   176.801      4.04748   277.063     309.173     59.3787     129.173     
1 1 1 9  4  12 o 196.041 2.24244 70.4412      2.19953   70.4991      2.35539   203.523     17.9604     38.2035     17.9604     
1 1 1 9  4  13 o 321.983 2.3695  191.302      3.95697   188.943      3.95247   303.228     272.127     25.3514     92.1267     
1 1 1 9  4  14 o 263.895 2.25858 127.105      3.08837   128.321      3.09071   275.411     2.07184     40.2833     2.07184     
1 1 1 9  4  15 o 227.952 2.21315 96.1615      2.61711   94.4366      2.61293   279.181     254.205     129.06      254.205     
1 1 1 9  4  16 o 220.171 2.20214 91.5755      2.51745   86.2824      2.50765   132.9       22.5244     159.379     202.524     
1 1 1 9  4  17 f 408.897 2.775   311.226      5.88653   302.498      5.87622   338.12      263.313     0           0           
1 1 1 9  4  18 o 256.939 2.86295 121.176      3.81908   121.211      3.80705   271.173     61.8368     47.8787     61.8368     
1 1 1 9  4  19 o 78.4292 2.7663  11.5056      1.07635   11.1383      1.16239   20.9579     47.8554     86.2904     227.855     
1 1 1 9  4  20 o 54.4196 2.85728 4.86076      0.815737  6.11361      0.76959   13.3714     173.802     108.081     173.802     
1 1 1 9  4  21 o 165.61  2.26451 49.8536      2.00854   50.8285      1.8757    148.776     75.7201     17.6517     255.72      
1 1 1 9  4  22 o 57.3259 2.49036 6.31013      0.740145  5.80955      0.732071  24.3402     112.435     45.9993     292.435     
1 1 1 9  4  23 o 91.6382 2.2736  15.0649      1.07569   15.813       1.08058   102.215     144.757     44.7083     144.757     
1 1 1 9  4  24 o 224.914 2.25956 94.8064      2.63971   90.9937      2.62836   247.592     5.46112     63.3347     5.46112     
1 1 1 9  4  25 o 144.794 2.20549 40.2374      1.66434   36.799       1.64467   184.483     341.686     100.36      341.686     
1 1 1 9  4  26 o 23.8005 4.2809  1.36031      0.562456  0.825156     0.508341  14.3162     110.676     43.4049     110.676     
1 1 1 9  4  27 o 49.6994 2.88485 4.9053       0.740818  4.25445      0.730121  28.1499     86.5867     13.0554     266.587     
1 1 1 9  4  28 o 71.1417 2.42101 9.35213      0.890751  9.29271      0.88959   60.5975     246.699     1.32459     66.6987     
1 1 1 9  4  29 o 204.028 2.27696 77.3309      2.41157   75.6464      2.4045    204.746     359.666     23.5995     359.666     
1 1 1 9  4  30 o 68.11   2.5031  7.77267      0.871824  9.37145      0.884707  26.0413     58.8053     70.7049     238.805     
1 1 1 9  4  31 o 165.579 2.27167 51.2373      1.95561   49.5736      1.94368   172.574     39.6014     36.0433     39.6014     
1 1 1 9  4  32 o 60.1722 2.61905 7.06261      0.816483  6.32948      0.807913  35.256      99.3553     32.8299     279.355     
1 1 1 9  4  33 o 65.3403 2.57066 7.76662      0.871565  8.01299      0.862579  41.4884     111.867     30.0299     291.867     
1 1 1 9  4  34 o 50.9363 2.78805 4.55645      0.7287    5.08584      0.73035   40.0254     210.382     0.825461    30.3817     
1 1 1 9  4  35 o 57.9552 2.65123 5.85485      0.796635  6.61621      0.784477  29.8225     37.2282     42.794      217.228     
1 1 1 9  4  36 o 39.5693 3.80628 3.49349      0.791137  2.50161      0.721984  28.8098     194.63      8.0474      14.6302     
1 1 1 9  4  37 f 52.4853 3.17383 4.82623      0.846436  5.51868      0.861662  15.788      57.1378     0           0           
1 1 1 9  4  38 o 77.1839 2.49386 11.3362      1.00173   10.8086      0.988375  87.5406     246.839     38.19       246.839     
1 1 1 9  4  39 o 92.1373 2.42974 16.4105      1.16671   15.1761      1.14937   89.2981     280.831     13.0549     280.831     
1 1 1 9  4  40 f 80.4124 2.51155 13.6896      1.06043   10.5586      1.01937   77.446      159.332     0           0           
1 1 1 9  4  41 o 29.5304 3.76723 1.83137      0.553837  1.60001      0.555931  26.6298     47.2467     14.8096     47.2467     
1 1 1 9  4  42 f 14.8262 4.32774 0.266217     0.555146  0.0865748    0.526436  6.81253     355.677     0           0           
1 1 1 9  4  43 o 31.9364 4.7693  1.78808      0.86077   2.40469      0.663297  34.0272     28.6934     18.5522     28.6934     
1 1 1 9  4  44 o 18.5098 4.06    1.29609      0.560245  -0.14652     0.474762  9.80847     174.498     7.15514     354.498     
1 1 1 9  4  45 o 13.1771 3.9303  0.226768     0.464145  -0.084138    0.468321  2.37216     241.769     2.94024     61.7687     
1 1 1 9  4  46 o 19.5162 4.13965 0.138175     0.501446  1.31397      0.532071  13.6706     139.307     1.83943     139.307     
1 1 1 9  4  47 o 39.1595 3.40364 3.5199       0.678326  2.60037      0.661117  37.9669     114.197     10.5777     114.197     
1 1 1 9  4  48 o 21.2534 4.2858  0.0504692    0.574076  1.72993      0.616309  14.081      30.9906     3.54337     210.991     
1 1 1 9  4  49 o 16.4716 4.3068  -0.137966    0.521688  0.938476     0.567977  7.14458     235.459     2.0088      235.459     
1 1 1 9  4  50 o 29.2145 4.33777 1.68596      0.625626  2.0545       0.647177  14.8294     324.646     18.2703     144.646     
1 1 1 9  4  51 o 24.8669 4.6691  1.5243       0.603569  1.33908      0.623358  22.9534     9.91781     8.46487     9.91781     
1 1 1 9  4  52 o 18.7259 4.79484 0.682992     0.58622   0.93778      0.61606   13.5434     281.173     1.33245     281.173     
1 1 1 9  4  53 o 23.0494 4.63216 0.728224     0.60636   1.89045      0.641999  20.2818     141.361     8.12693     141.361     
1 1 1 9  4  54 o 11.1734 3.70415 0.163092     0.593645  -0.973692    0.510951  0.904322    109.344     8.17094     289.344     
1 1 1 9  4  55 o 14.2018 4.54138 0.272026     0.734599  0.0124588    0.696527  4.96252     60.5048     1.19142     240.505     
1 1 1 9  4  56 o 15.5858 4.45973 0.0036598    0.587804  0.94664      0.61126   5.00414     22.1878     10.5799     202.188     
1 1 1 9  4  57 o 17.9995 4.19734 -0.652109    0.630689  1.73478      0.63036   10.1453     212.921     0.656961    32.9211     
1 1 1 9  4  58 o 15.4182 4.67785 0.448561     0.685377  0.603203     0.6594    5.26018     194.992     6.94421     14.9918     
1 1 1 9  4  59 o 14.8308 4.5952  -0.43355     0.73782   1.02831      0.735466  1.74734     242.908     0.154277    242.908     
1 1 1 9  4  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  5  0  o 67.0094 2.6217  8.3066       0.904228  8.3066       0.904228  10.4811     90          121.343     90          
1 1 1 9  5  1  o 133.134 2.40344 31.8647      1.65242   33.1791      1.66181   132.345     335.253     58.1615     335.253     
1 1 1 9  5  2  o 233.62  2.50471 99.4269      3.03363   100.718      3.03264   179.026     209.047     98.2463     29.047      
1 1 1 9  5  3  o 647.8   3.49489 759.505      11.7284   780.132      11.7414   704.599     205.829     111.283     205.829     
1 1 1 9  5  4  o 236.009 2.35049 103.544      3.0747    100.714      2.66712   240.934     91.2334     25.2766     91.2334     
1 1 1 9  5  5  o 200.133 2.21211 73.5769      2.36831   73.2896      2.21927   207.539     217.198     35.8989     217.198     
1 1 1 9  5  6  f 369.35  2.54763 250.067      4.72364   250.22       5.0269    280.605     1.70548     0           0           
1 1 1 9  5  7  o 136.746 2.18867 34.2246      1.50428   34.3432      1.5973    134.725     229.459     41.6299     229.459     
1 1 1 9  5  8  o 253.572 2.39195 117.745      2.92653   118.049      3.34787   160.701     214.615     175.768     34.615      
1 1 1 9  5  9  o 470.476 2.83    409.751      6.68421   402.177      7.10818   539.124     92.8074     145.047     92.8074     
1 1 1 9  5  10 o 146.931 2.29348 38.775       1.74682   40.4043      1.74618   119.706     351.048     27.7132     171.048     
1 1 1 9  5  11 o 92.8545 2.37731 15.0839      1.1392    16.597       1.14373   41.4072     113.128     249.413     113.128     
1 1 1 9  5  12 o 226.058 2.279   94.5343      2.58652   92.89        2.75038   201.087     356.83      33.0832     176.83      
1 1 1 9  5  13 o 221.284 2.19415 90.359       2.5217    89.2356      2.51186   249.871     56.1051     80.6813     56.1051     
1 1 1 9  5  14 o 174.276 2.15629 56.5559      1.95368   54.8494      1.94202   157.643     345.389     9.41281     165.389     
1 1 1 9  5  15 o 157.881 2.15319 47.4448      1.76841   44.0199      1.75454   153.356     33.7356     20.8795     33.7357     
1 1 1 9  5  16 o 317.864 2.3696  183.898      3.90383   186.821      3.90468   285.286     79.2535     48.9273     259.254     
1 1 1 9  5  17 o 100.968 2.42937 18.2482      1.22755   19.2126      1.31184   27.3431     53.7327     123.468     233.733     
1 1 1 9  5  18 o 321.156 3.01895 187.21       5.027     191.64       5.02401   367.879     51.3496     112.598     51.3496     
1 1 1 9  5  19 o 190.895 2.66555 66.6011      2.507     67.2139      2.76313   161.35      8.81598     42.0978     188.816     
1 1 1 9  5  20 o 243.459 2.51971 110.914      3.31817   106.754      3.03987   243.643     332.466     17.0995     332.466     
1 1 1 9  5  21 o 131.689 2.2744  31.4963      1.60518   32.1928      1.49519   129.981     199.875     13.1408     199.875     
1 1 1 9  5  22 o 50.7734 2.59192 4.44572      0.674758  5.08462      0.678103  13.3088     315.433     55.673      135.433     
1 1 1 9  5  23 f 173.816 2.20538 55.4374      1.98632   55.5004      1.98773   214.158     213.465     0           0           
1 1 1 9  5  24 o 105.512 2.22979 20.384       1.21992   20.5388      1.21638   109.272     73.1217     26.2694     73.1217     
1 1 1 9  5  25 f 115.721 2.23436 24.2905      1.34208   24.936       1.3357    167.701     93.2404     0           0           
1 1 1 9  5  26 o 42.9877 2.89738 2.61638      0.615199  4.35542      0.627311  14.2266     219.836     8.60978     39.8357     
1 1 1 9  5  27 o 142.169 2.40437 36.4608      1.76535   37.8275      1.77818   154.996     29.4623     44.7955     29.4623     
1 1 1 9  5  28 o 167.968 2.42042 51.3528      2.10246   52.353       2.11229   188.749     120.366     62.1509     120.366     
1 1 1 9  5  29 o 64.0725 2.52079 6.95445      0.827929  8.21469      0.835998  63.6492     164.822     23.9071     164.822     
1 1 1 9  5  30 o 248.123 2.34061 110.401      3.0015    115.995      3.01836   278.513     60.0646     89.2474     60.0646     
1 1 1 9  5  31 o 158.247 2.27464 45.5986      1.86907   46.4918      1.86245   180.491     12.9287     67.532      12.9287     
1 1 1 9  5  32 o 60.1024 2.59851 6.41021      0.804671  6.94963      0.80568   54.9769     78.1063     15.906      78.1063     
1 1 1 9  5  33 o 91.9939 2.39677 16.6355      1.14963   14.61        1.12982   94.2995     346.42      25.1125     346.42      
1 1 1 9  5  34 o 13.4476 3.91384 0.292116     0.46012   -0.168903    0.448226  18.9264     285.202     46.3481     285.202     
1 1 1 9  5  35 o 27.3828 4.0171  1.55829      0.56192   1.34696      0.54143   10.3699     199.144     9.81141     19.1435     
1 1 1 9  5  36 o 31.9566 4.51761 2.729        0.744155  1.34015      0.703057  12.4711     191.348     26.841      11.3484     
1 1 1 9  5  37 o 96.5765 2.57793 17.7534      1.28917   16.8834      1.28671   100.016     359.068     25.4899     359.068     
1 1 1 9  5  38 o 54.6658 2.70756 5.12398      0.752429  6.06507      0.769239  48.2181     126.4       1.35776     126.399     
1 1 1 9  5  39 o 17.9489 4.28421 0.433753     0.490426  0.71313      0.469162  1.823       303.527     10.4192     123.527     
1 1 1 9  5  40 o 62.9719 2.64999 8.84559      0.876165  6.15128      0.831005  62.4735     12.0656     14.1938     12.0656     
1 1 1 9  5  41 f 54.1991 2.79447 4.87743      0.768788  6.26739      0.781843  39.6834     32.0712     0           0           
1 1 1 9  5  42 o 69.6203 3.13115 7.95875      1.05717   10.6374      1.188     80.1426     28.1911     38.0655     28.1911     
1 1 1 9  5  43 o 47.6521 3.75886 4.75276      0.918615  4.14482      0.903544  38.9247     284.847     5.01616     104.847     
1 1 1 9  5  44 o 18.2021 4.43077 0.690979     0.526841  0.566188     0.486051  10.6655     187.936     1.76916     187.936     
1 1 1 9  5  45 o 27.3163 4.20783 1.41393      0.567314  1.66785      0.591359  18.9719     159.617     6.58029     339.617     
1 1 1 9  5  46 o 22.3332 4.42994 0.790165     0.545197  1.30695      0.544473  3.33954     258.939     29.6769     78.9388     
1 1 1 9  5  47 o 67.0751 2.73472 8.1355       0.940388  9.20567      0.95079   72.1334     289.771     29.2105     289.771     
1 1 1 9  5  48 o 35.5235 3.88016 3.2836       0.69776   1.97503      0.659175  19.6462     324.065     20.2164     144.065     
1 1 1 9  5  49 o 50.8404 3.30476 5.05702      0.851599  5.31505      0.870716  48.8049     77.4725     12.0013     77.4725     
1 1 1 9  5  50 o 28.9006 4.34667 1.82076      0.638274  1.85703      0.623954  23.3402     240.66      0.299658    240.66      
1 1 1 9  5  51 o 10.6216 3.53947 -0.239598    0.525943  -0.543366    0.48294   1.49103     242.579     3.0709      62.5791     
1 1 1 9  5  52 o 17.6176 4.37427 1.21597      0.582847  -0.0205082   0.553665  10.3068     201.121     4.3769      21.1211     
1 1 1 9  5  53 o 24.7648 4.88778 2.17154      0.714733  0.969675     0.663766  17.1976     248.22      3.43251     68.2195     
1 1 1 9  5  54 o 19.1699 4.1239  1.87498      0.642438  -0.546849    0.590371  11.5635     139.24      3.9575      319.24      
1 1 1 9  5  55 o 20.3616 5.14703 1.02194      0.679581  1.30629      0.700867  14.0805     232.843     0.197286    232.842     
1 1 1 9  5  56 o 13.0716 4.09112 0.523873     0.589309  -0.381639    0.561216  2.49718     206.659     1.74026     26.6594     
1 1 1 9  5  57 o 13.6678 4.21629 0.630158     0.602146  -0.249077    0.581109  2.64276     85.4752     2.93988     265.475     
1 1 1 9  5  58 o 17.3909 4.96226 0.898494     0.70144   0.835297     0.678057  7.72163     283.237     1.65001     283.237     
1 1 1 9  5  59 o 12.4804 4.11625 0.216217     0.63445   -0.376273    0.705149  2.47569     239.172     2.61357     59.1723     
1 1 1 9  5  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  6  0  o 87.3198 2.18893 14.029       0.987946  14.029       0.987946  10.6385     90          143.728     270         
1 1 1 9  6  1  o 59.2602 2.39477 6.92713      0.734622  6.00917      0.728045  13.3494     307.495     81.8813     307.495     
1 1 1 9  6  2  o 531.28  2.89798 511.989      7.97521   523.327      7.98591   647.497     59.0951     237.329     59.0951     
1 1 1 9  6  3  o 186.057 2.12544 63.9925      2.04998   62.941       2.04965   143.311     212.465     68.1167     32.4647     
1 1 1 9  6  4  o 137.136 2.11223 34.9758      1.50462   33.9851      1.49821   15.527      119.545     227.713     299.545     
1 1 1 9  6  5  o 286.896 2.2716  150.724      3.37936   151.102      3.37706   296.513     267.231     32.3749     267.231     
1 1 1 9  6  6  o 242.111 2.19648 110.535      2.76373   104.454      2.74822   182.497     229.986     106.849     49.9857     
1 1 1 9  6  7  o 98.9356 2.18254 17.6429      1.1187    18.2881      1.11684   52.7802     251.914     10.7703     251.914     
1 1 1 9  6  8  o 301.548 2.30705 169.96       3.61516   163.539      3.59649   239.797     144.108     112.957     324.108     
1 1 1 9  6  9  o 322.241 2.43847 191.045      4.20813   189.8        3.93442   413.532     133.891     200.829     133.891     
1 1 1 9  6  10 o 230.381 2.38318 95.6478      3.03574   99.0308      2.6344    293.664     41.5164     154.889     41.5164     
1 1 1 9  6  11 o 383.287 2.92848 267.239      6.26424   271.815      5.32606   401.322     28.623      49.0226     28.623      
1 1 1 9  6  12 o 106.403 2.42936 19.1856      1.37662   22.4528      1.28442   32.6973     27.6503     121.393     207.65      
1 1 1 9  6  13 o 114.603 2.23226 23.7711      1.28535   24.4439      1.36402   97.2636     173.953     22.082      173.953     
1 1 1 9  6  14 o 220.77  2.2678  89.7507      2.51381   89.0499      2.67354   298.329     333.802     193.155     333.802     
1 1 1 9  6  15 o 70.8532 2.45722 8.80073      0.899513  9.67492      0.898287  11.8004     122.136     59.2657     302.135     
1 1 1 9  6  16 o 115.391 2.30198 24.8904      1.38348   24.0097      1.36748   101.885     289.506     13.6474     289.506     
1 1 1 9  6  17 o 91.8103 2.52452 16.2396      1.20964   14.7655      1.18753   61.7115     239.677     22.4272     59.6767     
1 1 1 9  6  18 o 76.2261 2.43888 10.0933      0.956051  11.297       0.964374  14.0323     240.667     101.319     60.6667     
1 1 1 9  6  19 o 204.878 2.68224 79.2749      2.71698   74.9221      2.96587   189.234     183.978     14.8994     3.97803     
1 1 1 9  6  20 o 271.836 2.67898 137.757      3.78237   133.709      3.76705   299.945     245.828     73.6566     245.828     
1 1 1 9  6  21 o 296.226 2.44703 158.6        3.879     163.698      3.62692   315.978     203.846     57.8053     203.846     
1 1 1 9  6  22 o 168.239 2.1952  51.9679      1.91538   51.9602      1.91342   150.903     195.466     19.6103     15.4658     
1 1 1 9  6  23 o 41.7058 2.80057 3.19195      0.596763  3.26034      0.599579  10.165      86.8909     30.6825     266.891     
1 1 1 9  6  24 o 142.656 2.19982 36.0803      1.62192   38.6864      1.63027   132.39      284.007     3.87267     104.008     
1 1 1 9  6  25 o 92.3486 2.28238 16.3931      1.09582   14.9911      1.08476   59.2942     290.995     50.4601     110.995     
1 1 1 9  6  26 o 79.32   2.34371 10.4272      0.94692   12.7922      0.970692  74.1918     308.415     10.5558     308.415     
1 1 1 9  6  27 o 78.4834 2.37829 11.1054      0.966284  11.5761      0.963951  69.3513     230.667     0.424764    230.667     
1 1 1 9  6  28 o 227.691 2.473   95.8944      2.91288   94.7151      2.92451   217.168     285.285     3.15025     285.285     
1 1 1 9  6  29 f 253.765 2.51831 118.42       3.3062    118.436      3.31903   216.804     141.761     0           0           
1 1 1 9  6  30 o 35.7684 3.28718 2.61314      0.606338  2.19396      0.581732  11.4591     309.259     14.2372     129.259     
1 1 1 9  6  31 o 66.3306 2.52764 8.16353      0.871586  8.07916      0.860157  30.3549     69.7395     56.4892     249.739     
1 1 1 9  6  32 o 64.6986 2.53927 7.66893      0.856445  7.79953      0.839787  48.3917     5.43169     13.2685     185.432     
1 1 1 9  6  33 o 101.195 2.34601 18.7976      1.22879   18.97        1.22907   105.581     81.274      28.9794     81.274      
1 1 1 9  6  34 o 63.7253 2.57727 8.09341      0.854376  6.97069      0.838578  30.1865     286.018     53.4596     106.018     
1 1 1 9  6  35 o 42.1871 3.44739 2.9162       0.730367  3.82684      0.737379  42.556      64.3184     20.3533     64.3184     
1 1 1 9  6  36 o 155.957 2.71642 48.4718      2.21208   41.8789      2.17169   151.202     218.864     16.5152     218.864     
1 1 1 9  6  37 o 75.7762 2.67118 10.8888      1.05217   10.4942      1.03957   66.0666     233.777     3.54531     53.7765     
1 1 1 9  6  38 o 52.685  2.77586 4.55445      0.738971  5.8892       0.758353  45.9297     187.517     0.578603    187.517     
1 1 1 9  6  39 o 22.0383 4.20574 1.19115      0.501627  0.732256     0.497697  5.82762     294.668     19.6051     114.668     
1 1 1 9  6  40 o 96.6621 2.42926 17.7474      1.2207    17.1651      1.20972   92.2185     126.494     11.4468     126.494     
1 1 1 9  6  41 o 16.9773 4.04768 0.89975      0.483373  0.0272456    0.454411  4.08962     250.759     33.8864     250.759     
1 1 1 9  6  42 o 65.7746 3.02137 8.68837      1.04385   7.81136      1.00471   62.299      141.595     8.84199     141.595     
1 1 1 9  6  43 o 21.5288 4.42301 1.61479      0.619515  0.119726     0.597907  14.6144     339.13      3.19486     159.13      
1 1 1 9  6  44 o 46.8854 3.28522 4.56332      0.854007  3.988        0.72222   23.1461     180.953     35.1701     0.953127    
1 1 1 9  6  45 o 10.4544 3.37557 -0.940641    0.445377  0.0703299    0.438992  0.369481    282.89      7.18532     282.89      
1 1 1 9  6  46 o 27.4342 4.17242 1.49573      0.572167  1.6395       0.579498  16.4952     121.8       11.8111     301.8       
1 1 1 9  6  47 f 52.242  3.01082 5.17057      0.816886  5.4894       0.798094  53.187      109.388     0           0           
1 1 1 9  6  48 o 39.0945 3.52729 3.49596      0.695911  2.70478      0.689465  34.4739     117.288     3.90063     117.288     
1 1 1 9  6  49 o 18.143  4.71603 0.657643     0.579655  0.680059     0.585102  12.274      196.533     2.91532     196.533     
1 1 1 9  6  50 o 15.1434 4.23166 0.74792      0.54428   -0.261405    0.548974  7.97716     30.7743     0.0755448   210.775     
1 1 1 9  6  51 o 29.2683 4.43031 2.27497      0.655022  1.65311      0.651998  22.6409     104.952     1.70101     284.952     
1 1 1 9  6  52 o 11.9518 3.82168 -0.401614    0.533093  0.133366     0.507898  1.37765     11.7887     11.7472     191.789     
1 1 1 9  6  53 o 18.8023 4.96277 1.0129       0.676005  0.756338     0.625112  12.0758     35.7302     0.181436    215.73      
1 1 1 9  6  54 o 28.6104 4.81018 1.72435      0.70183   2.45984      0.717487  28.5902     265.12      15.5587     265.12      
1 1 1 9  6  55 o 13.3683 4.06489 0.776352     0.604986  -0.882282    0.561802  3.62067     275.364     0.93767     95.3638     
1 1 1 9  6  56 o 14.2339 4.34729 0.380796     0.596468  0.298104     0.57596   1.73579     137.042     0.34687     317.042     
1 1 1 9  6  57 o 17.1564 4.78769 0.808969     0.6333    0.771923     0.622686  8.10403     81.7792     1.20705     261.779     
1 1 1 9  6  58 o 23.2994 5.32299 2.18267      0.776499  1.25528      0.747434  17.3532     153.337     2.97695     153.337     
1 1 1 9  6  59 o 13.4774 4.28154 0.0229255    0.644019  0.422507     0.619989  4.17391     2.35664     5.79658     182.357     
1 1 1 9  7  0  o 161.135 2.12381 47.644       1.77254   47.644       1.77254   203.283     90          89.0168     90          
1 1 1 9  7  1  o 415.634 2.56259 316.163      5.51971   317.411      5.52235   429.794     250.982     37.1177     250.983     
1 1 1 9  7  2  o 250.299 2.2063  116.845      2.86626   112.908      2.85837   195.808     294.362     96.25       114.362     
1 1 1 9  7  3  o 91.0113 2.19297 15.7586      1.04023   14.6605      1.02535   6.83214     150.38      139.648     330.38      
1 1 1 9  7  4  o 224.278 2.17215 94.4929      2.53198   89.9879      2.51776   182.154     118.611     69.0131     298.611     
1 1 1 9  7  5  o 285.015 2.26925 147.557      3.3497    150.351      3.35532   219.798     48.1669     119.005     228.167     
1 1 1 9  7  6  o 65.4511 2.32896 7.74047      0.791672  8.01104      0.783195  2.96654     357.478     22.0724     177.478     
1 1 1 9  7  7  o 115.004 2.14884 22.609       1.27237   25.9695      1.28441   48.838      297.32      106.376     117.32      
1 1 1 9  7  8  o 107.906 2.14179 22.7774      1.2059    20.0027      1.18516   20.8985     114.735     150.618     294.735     
1 1 1 9  7  9  o 92.6319 2.20937 15.0324      1.05795   16.4907      1.05906   44.4028     193.195     3.04556     193.195     
1 1 1 9  7  10 o 202.849 2.16174 73.2757      2.27185   77.6723      2.2728    205.816     299.618     28.8856     299.618     
1 1 1 9  7  11 o 216.498 2.33792 87.3832      2.6315    84.5668      2.61562   266.066     49.1536     128.604     49.1536     
1 1 1 9  7  12 o 192.471 2.408   66.5077      2.30726   69.4177      2.4971    249.83      322.068     158.478     322.068     
1 1 1 9  7  13 o 215.388 2.17758 87.5164      2.43932   82.7014      2.42213   243.674     48.2888     82.6565     48.2888     
1 1 1 9  7  14 o 162.183 2.27456 46.5792      1.90979   49.9576      1.91297   151.99      345.456     6.09776     345.456     
1 1 1 9  7  15 o 91.7672 2.33514 15.3221      1.11387   15.6212      1.10388   52.3226     255.201     42.382      75.2008     
1 1 1 9  7  16 o 34.2304 3.43685 2.66127      0.594688  1.77625      0.574342  29.2222     100.791     80.8826     100.791     
1 1 1 9  7  17 o 294.119 2.58444 158.103      4.07782   159.531      3.7962    327.77      124.885     86.2893     124.885     
1 1 1 9  7  18 f 245.673 2.50092 107.981      3.28452   113.676      3.07466   273.864     79.5751     0           0           
1 1 1 9  7  19 o 51.7708 2.68353 4.65179      0.703241  5.25591      0.726159  19.417      57.5292     35.0106     237.529     
1 1 1 9  7  20 o 19.7518 4.59423 0.558098     0.526249  0.816023     0.567948  13.6086     331.703     34.4669     331.703     
1 1 1 9  7  21 o 222.961 2.49979 89.7113      2.77394   92.9291      3.00309   201.385     127.298     26.4529     307.298     
1 1 1 9  7  22 o 49.6907 2.809   4.32884      0.727689  4.81342      0.704008  10.5051     179.046     59.2514     359.046     
1 1 1 9  7  23 o 238.672 2.34194 105.757      2.8121    103.521      2.97827   239.272     158.517     21.4936     158.517     
1 1 1 9  7  24 o 18.2504 3.87786 0.203511     0.426964  0.959057     0.436025  53.9706     66.3967     127.212     66.3967     
1 1 1 9  7  25 o 76.6825 2.34158 11.2101      0.929819  10.4431      0.926522  78.6045     89.0868     29.7241     89.0868     
1 1 1 9  7  26 o 92.676  2.30538 15.4546      1.10601   16.1476      1.1051    88.4191     316.012     9.95839     316.012     
1 1 1 9  7  27 o 105.508 2.29293 19.7724      1.24987   21.1869      1.25422   90.6075     280.019     13.0791     100.019     
1 1 1 9  7  28 o 49.1046 2.74287 4.50718      0.69684   4.42124      0.688163  13.4857     339.215     56.609      159.215     
1 1 1 9  7  29 o 85.3501 2.56696 14.2368      1.14002   12.6397      1.12395   63.9537     287.135     26.4028     107.135     
1 1 1 9  7  30 o 84.2773 2.50323 13.3037      1.0479    12.8832      1.13109   77.6207     244.204     5.66791     244.204     
1 1 1 9  7  31 o 191.044 2.28733 68.7282      2.27391   65.5981      2.25581   207.671     340.867     60.7904     340.867     
1 1 1 9  7  32 o 57.1836 2.63677 6.11118      0.780895  5.99841      0.773741  46.8102     171.533     0.105991    351.533     
1 1 1 9  7  33 o 57.0146 2.62582 6.50236      0.784211  5.56654      0.757583  39.833      64.1824     18.7157     244.182     
1 1 1 9  7  34 o 47.3195 2.99455 3.74484      0.715781  4.64361      0.732199  49.994      117.211     30.3216     117.211     
1 1 1 9  7  35 o 19.6855 4.25385 1.22847      0.552314  0.102904     0.516052  1.77667     336.398     7.1955      156.398     
1 1 1 9  7  36 o 44.6607 3.25081 3.51481      0.717148  4.01476      0.766404  42.5649     135.85      11.3677     135.85      
1 1 1 9  7  37 o 50.5941 2.95437 4.77374      0.76395   4.839        0.771874  33.2313     284.37      21.7981     104.37      
1 1 1 9  7  38 o 18.1979 4.29235 0.588371     0.472591  0.626877     0.47705   1.0817      8.78008     24.483      8.78006     
1 1 1 9  7  39 o 54.0693 2.73658 5.46008      0.760964  5.53852      0.762854  44.2696     37.4054     6.11351     217.405     
1 1 1 9  7  40 o 32.1955 3.54493 1.95352      0.572361  2.0868       0.571818  18.1108     180.857     17.8739     0.856809    
1 1 1 9  7  41 o 20.8069 4.52622 0.417496     0.573879  1.24704      0.568879  8.94304     26.9301     13.3437     206.93      
1 1 1 9  7  42 o 17.0551 4.40212 0.486913     0.512301  0.508942     0.499991  6.09128     115.134     11.8718     295.134     
1 1 1 9  7  43 o 27.564  4.23922 2.21577      0.610915  0.956757     0.59208   28.2692     338.487     17.5551     338.487     
1 1 1 9  7  44 o 15.54   4.12736 0.874296     0.565751  -0.561331    0.512241  2.21391     258.083     17.9615     78.0829     
1 1 1 9  7  45 o 28.3157 4.09009 1.90115      0.585446  1.41937      0.575011  19.0162     122.493     8.30542     302.493     
1 1 1 9  7  46 o 59.9982 2.81011 6.76359      0.87197   7.13583      0.865319  58.2442     146.825     13.7203     146.825     
1 1 1 9  7  47 o 22.698  4.37109 1.61726      0.575384  0.591847     0.553341  19.5092     316.38      9.5737      316.38      
1 1 1 9  7  48 o 45.7457 3.18114 4.60482      0.743588  3.75105      0.738155  43.8276     80.2895     11.054      80.2895     
1 1 1 9  7  49 o 17.7288 4.02835 -0.360692    0.536729  1.29507      0.542069  10.1669     82.9047     5.02828     82.9046     
1 1 1 9  7  50 o 48.3875 3.49477 4.77805      0.857645  4.93406      0.870871  41.5621     287.371     2.42923     287.371     
1 1 1 9  7  51 o 14.8445 4.12704 -0.312403    0.530779  0.788935     0.527777  7.63036     125.556     0.986146    125.556     
1 1 1 9  7  52 o 44.2905 3.48774 4.02937      0.795143  4.34327      0.776319  44.4971     152.988     17.0503     152.988     
1 1 1 9  7  53 o 14.1008 4.36046 0.556982     0.643496  -0.298436    0.618166  5.08018     117.117     3.75221     297.117     
1 1 1 9  7  54 f 31.5022 4.45937 2.11211      0.70675   2.73295      0.69719   17.6595     36.029      0           0           
1 1 1 9  7  55 o 22.3108 5.21525 1.68379      0.705478  1.21072      0.723342  11.8008     105.667     9.34027     285.667     
1 1 1 9  7  56 o 15.0066 4.46046 0.500333     0.600132  0.447017     0.576317  4.85678     251.992     6.53455     71.9921     
1 1 1 9  7  57 o 13.487  4.23257 0.518013     0.618158  -0.165883    0.593312  2.86571     202.345     3.10776     22.3452     
1 1 1 9  7  58 o 23.946  5.49875 2.07043      0.805368  1.69204      0.761135  19.6696     68.9069     8.14993     68.9069     
1 1 1 9  7  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  8  0  o 199.776 2.14417 73.2119      2.21925   73.2119      2.21925   188.535     270         21.4287     90          
1 1 1 9  8  1  o 248.267 2.19992 114.186      2.83301   111.86       2.82901   175.241     165.263     132.567     345.263     
1 1 1 9  8  2  o 483.755 2.75358 425.057      6.89976   433.449      6.90953   520.334     114.767     84.4421     114.767     
1 1 1 9  8  3  o 392.926 2.50846 284.758      5.1153    281.55       5.10294   402.889     114.687     32.4317     114.687     
1 1 1 9  8  4  o 334.303 2.36465 207.534      4.10638   202.385      4.08868   365.005     350.246     76.6707     350.246     
1 1 1 9  8  5  o 168.973 2.1233  51.9975      1.86085   52.7144      1.85862   183.519     177.836     62.2004     177.836     
1 1 1 9  8  6  o 150.175 2.12514 39.9673      1.65193   42.7673      1.65537   48.4399     266.595     186.137     86.5949     
1 1 1 9  8  7  o 467.054 2.70532 405.851      6.55879   394.538      6.53975   575.35      6.307       232.543     6.307       
1 1 1 9  8  8  o 180.188 2.13797 60.368       2.00019   58.7211      1.99344   222.814     24.5019     127.522     24.5019     
1 1 1 9  8  9  f 213.252 2.16398 83.0426      2.3926    83.7635      2.39152   118.643     152.792     0           0           
1 1 1 9  8  10 o 109.394 2.23552 22.8897      1.22249   21.0652      1.30377   83.3304     7.04613     4.42708     187.046     
1 1 1 9  8  11 o 239.804 2.36341 105.328      2.9397    105.658      2.93594   195.978     94.8122     69.5425     274.812     
1 1 1 9  8  12 o 145.14  2.45717 36.9947      1.85039   40.368       1.84233   99.9262     196.213     66.9426     16.2131     
1 1 1 9  8  13 o 159.154 2.26651 47.2147      1.87755   45.734       1.862     110.255     71.4255     77.5869     251.425     
1 1 1 9  8  14 o 290.75  2.45385 155.869      3.7048    154.412      3.69172   317.561     8.22135     73.2106     8.22136     
1 1 1 9  8  15 o 149.468 2.21954 40.3702      1.66045   41.6223      1.77833   125.573     30.8235     27.6815     210.824     
1 1 1 9  8  16 o 176.477 2.30492 58.6961      2.11307   55.6458      2.10308   200.637     348.748     69.7047     348.748     
1 1 1 9  8  17 o 237.557 2.38496 103.779      2.93511   103.418      2.93855   296.637     346.497     137.805     346.497     
1 1 1 9  8  18 o 201.168 2.26408 73.8506      2.43112   74.7247      2.28761   214.886     87.9128     43.396      87.9128     
1 1 1 9  8  19 o 141.698 2.33053 35.5546      1.70705   38.1992      1.71514   141.85      224.054     15.9841     224.054     
1 1 1 9  8  20 o 36.5368 3.20225 2.55284      0.596874  2.43381      0.589985  0.231303    121.882     40.1589     301.882     
1 1 1 9  8  21 o 238.238 2.34541 102.61       2.79249   105.89       2.99933   242.018     278.02      27.0673     278.02      
1 1 1 9  8  22 f 116.868 2.40079 24.2471      1.44714   25.9925      1.45756   183.749     117.165     0           0           
1 1 1 9  8  23 o 153.15  2.39545 41.1272      2.0211    45.103       1.75776   202.995     319.814     123.375     319.814     
1 1 1 9  8  24 o 135.655 2.41358 32.2514      1.80489   35.4398      1.56449   120.473     356.306     12.831      176.306     
1 1 1 9  8  25 o 217.065 2.3368  86.1894      2.70455   86.9547      2.5511    199.296     332.454     13.1396     152.454     
1 1 1 9  8  26 o 101.006 2.42303 20.1574      1.27587   17.4369      1.25412   67.0613     15.6772     52.409      195.677     
1 1 1 9  8  27 o 102.162 2.36844 19.5315      1.22193   18.8811      1.28116   93.0959     358.099     1.09765     178.099     
1 1 1 9  8  28 o 62.9891 2.60819 7.62642      0.829189  7.02953      0.863572  28.2199     59.9236     54.726      239.924     
1 1 1 9  8  29 o 42.5289 3.18418 4.30265      0.698631  2.55741      0.653812  22.017      137.603     14.5285     317.603     
1 1 1 9  8  30 o 36.431  3.60887 2.69712      0.648797  2.31406      0.671007  8.6041      204.141     4.67421     24.1409     
1 1 1 9  8  31 o 129.434 2.39011 29.9541      1.53593   31.8064      1.66866   142.021     35.0071     48.1923     35.0071     
1 1 1 9  8  32 o 47.201  2.8616  4.5008       0.696838  3.80592      0.686637  34.1718     329.259     7.00831     149.259     
1 1 1 9  8  33 o 156.342 2.43318 44.1413      1.96501   46.0997      1.97831   145.554     60.082      3.20323     60.082      
1 1 1 9  8  34 o 14.2512 3.88263 0.543118     0.455368  -0.284892    0.44567   10.3156     331.575     33.9801     331.575     
1 1 1 9  8  35 o 128.487 2.49467 30.5783      1.66444   30.6122      1.65543   128.02      41.599      21.9012     41.599      
1 1 1 9  8  36 f 61.9044 2.79813 6.24825      0.875103  8.12932      0.902154  29.1898     306.348     0           0           
1 1 1 9  8  37 o 65.5858 2.72848 8.54265      0.929151  7.55957      0.915855  67.2296     160.284     19.3909     160.284     
1 1 1 9  8  38 o 36.0728 3.37571 1.82157      0.586285  3.27275      0.602337  27.2813     352.174     5.0281      172.174     
1 1 1 9  8  39 o 36.7923 3.22696 2.93589      0.619795  2.27815      0.580496  32.2711     168.816     3.32385     168.816     
1 1 1 9  8  40 o 22.8436 4.39321 1.03319      0.550765  1.08138      0.51781   14.8256     233.81      3.16143     53.8102     
1 1 1 9  8  41 o 47.3055 3.32882 4.70129      0.830143  3.94701      0.779336  42.6947     217.121     3.51443     217.121     
1 1 1 9  8  42 o 11.8858 3.73956 -0.10885     0.487014  -0.132564    0.43924   9.61642     184.489     36.5776     184.489     
1 1 1 9  8  43 o 62.1381 2.8863  7.95144      0.928157  6.84119      0.917246  65.3627     204.991     22.9507     204.991     
1 1 1 9  8  44 o 24.8364 4.13907 0.425112     0.567784  2.18529      0.604404  21.9478     122.684     6.54703     122.684     
1 1 1 9  8  45 o 31.8054 4.17769 2.33185      0.672618  1.86314      0.652714  27.0259     339.231     2.10071     339.231     
1 1 1 9  8  46 o 35.6427 3.63902 2.05292      0.627683  3.13084      0.658122  32.7118     229.408     6.77281     229.408     
1 1 1 9  8  47 o 48.0567 3.13969 4.74782      0.78223   4.38624      0.763918  50.1265     145.005     19.7565     145.005     
1 1 1 9  8  48 o 44.0819 3.30327 4.15229      0.745644  3.68414      0.738669  34.6258     0.73566     4.63201     180.736     
1 1 1 9  8  49 o 13.9924 3.95512 0.69861      0.516573  -0.539134    0.491564  1.67126     284.475     24.1148     284.475     
1 1 1 9  8  50 o 19.5807 4.7674  1.11537      0.621694  0.672223     0.563344  15.7678     311.46      6.27214     311.46      
1 1 1 9  8  51 o 21.4691 4.78356 0.784487     0.587379  1.47258      0.63584   13.9129     104.554     4.38524     284.554     
1 1 1 9  8  52 o 14.4742 4.43166 0.298325     0.6424    0.220016     0.581038  5.28388     145.739     1.21508     325.739     
1 1 1 9  8  53 o 20.2408 4.61699 0.446179     0.60145   1.59703      0.621415  11.0151     224.177     7.48067     44.1772     
1 1 1 9  8  54 o 17.0666 4.71905 0.874106     0.625715  0.564506     0.591579  7.00993     110.076     9.65179     290.076     
1 1 1 9  8  55 f 29.9974 4.97321 2.22819      0.748542  2.60019      0.773148  18.0809     35.0193     0           0           
1 1 1 9  8  56 o 15.6889 4.55891 0.70712      0.598603  0.438148     0.600276  5.31914     85.712      1.462       265.712     
1 1 1 9  8  57 o 26.9138 5.99022 2.14307      0.840828  2.82639      1.02454   22.5864     51.7758     7.88722     51.7759     
1 1 1 9  8  58 o 16.1975 4.73012 0.484614     0.695943  0.905393     0.629349  7.83245     127.189     0.680964    127.189     
1 1 1 9  8  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  9  0  o 420.194 2.57074 323.803      5.59842   323.803      5.59842   383.886     270         66.7497     90          
1 1 1 9  9  1  o 64.8726 2.29459 7.12639      0.762662  8.3742       0.772531  55.6027     70.728      214.257     70.728      
1 1 1 9  9  2  o 82.9579 2.19251 13.1625      0.946096  12.1254      0.935432  29.4375     319.111     54.6343     139.111     
1 1 1 9  9  3  o 206.562 2.14835 78.4606      2.30443   78.0364      2.2962    208.207     19.7638     26.4131     19.7638     
1 1 1 9  9  4  o 250.034 2.20778 115.683      2.86478   113.633      2.85802   194.814     254.349     94.0628     74.3493     
1 1 1 9  9  5  o 98.0127 2.16157 17.4277      1.09515   17.8439      1.09849   59.7384     327.4       27.2345     147.4       
1 1 1 9  9  6  o 224.397 2.17372 91.4829      2.52786   93.2245      2.52885   220.976     274.3       14.5547     274.3       
1 1 1 9  9  7  o 168.2   2.12723 51.7571      1.85607   52.0188      1.8533    174.983     248.08      44.7933     248.08      
1 1 1 9  9  8  o 120.69  2.22019 28.329       1.34062   25.1742      1.4257    39.4439     19.5907     139.791     199.591     
1 1 1 9  9  9  o 123.495 2.14082 26.9983      1.36759   28.985       1.37095   14.8668     37.5806     198.255     217.581     
1 1 1 9  9  10 o 231.263 2.27807 95.0788      2.80488   101.204      2.64771   210.597     236.093     21.7711     56.0929     
1 1 1 9  9  11 o 492.522 3.22106 443.51       8.23416   447.616      8.21253   500.299     273.45      36.2279     273.45      
1 1 1 9  9  12 o 58.3742 2.71072 6.40965      0.825694  6.15647      0.80572   4.18488     346.785     57.0638     166.785     
1 1 1 9  9  13 o 155.699 2.27707 44.0717      1.84141   44.9024      1.83394   164.976     194.658     42.9375     194.658     
1 1 1 9  9  14 f 176.231 2.23913 58.2673      1.98491   55.7386      2.10103   157.09      295.4       0           0           
1 1 1 9  9  15 o 321.68  2.53343 191.334      4.22455   188.665      4.22407   297.781     108.552     29.0992     288.552     
1 1 1 9  9  16 f 233.829 2.37293 100.602      2.87656   100.156      2.87576   202.928     121.495     0           0           
1 1 1 9  9  17 o 215.666 2.34613 85.1337      2.62038   85.659       2.62519   191.734     185.722     32.1371     5.7221      
1 1 1 9  9  18 o 64.9766 2.36296 7.89957      0.797489  7.64788      0.788872  36.2641     129.961     22.1861     129.961     
1 1 1 9  9  19 o 122.927 2.35342 26.9938      1.49527   28.5619      1.50042   122.921     296.958     17.173      296.958     
1 1 1 9  9  20 o 71.1957 2.51155 9.32571      0.925768  9.34628      0.922143  26.0052     309.499     75.5032     129.499     
1 1 1 9  9  21 o 96.2489 2.24293 15.9561      1.10681   18.1431      1.12582   105.407     161.324     41.1173     161.324     
1 1 1 9  9  22 o 97.4887 2.34057 16.6898      1.13189   18.2878      1.23086   78.7017     50.5833     20.2959     230.583     
1 1 1 9  9  23 o 141.533 2.38601 38.3907      1.75665   35.2559      1.74252   77.0553     30.7368     112.727     210.737     
1 1 1 9  9  24 o 78.6124 2.46439 10.9062      1.03642   11.8643      0.960885  78.5211     151.933     21.5292     151.933     
1 1 1 9  9  25 o 71.2776 2.40805 8.95055      0.887211  9.77582      0.885642  76.7244     136.372     38.1528     136.372     
1 1 1 9  9  26 o 29.25   3.54989 1.54812      0.522951  1.69787      0.513813  3.47733     47.555      41.9462     47.5549     
1 1 1 9  9  27 o 50.3093 2.70304 5.08268      0.70519   4.30335      0.691213  15.4047     347.955     54.4828     167.955     
1 1 1 9  9  28 o 216.248 2.29485 84.2044      2.5664    87.7913      2.57779   199.527     346.397     5.61094     166.397     
1 1 1 9  9  29 o 68.7509 2.55132 10.0093      0.946966  7.53306      0.861298  36.1156     207.639     48.821      27.6394     
1 1 1 9  9  30 o 92.9078 2.57189 15.2295      1.30985   16.6482      1.14765   59.6509     292.247     48.862      112.247     
1 1 1 9  9  31 o 156.168 2.56928 43.5808      2.14066   46.4145      2.0113    141.364     143.993     5.09185     323.993     
1 1 1 9  9  32 o 48.2218 2.97816 3.71874      0.728216  5.00405      0.732105  47.4602     51.0478     19.9688     51.0478     
1 1 1 9  9  33 o 99.9998 2.48902 16.7033      1.26797   20.4047      1.30165   101.653     234.625     21.6901     234.625     
1 1 1 9  9  34 o 63.3612 2.71396 7.50273      0.909512  7.44158      0.864417  69.8481     145.819     29.3879     145.819     
1 1 1 9  9  35 o 60.7594 2.90148 8.38852      0.894648  5.56039      0.891262  50.99       16.1455     5.01124     196.145     
1 1 1 9  9  36 o 88.9239 2.66444 14.2793      1.18376   15.2169      1.26729   93.2295     102.484     27.6436     102.484     
1 1 1 9  9  37 o 50.9078 2.99461 5.01345      0.740821  4.76916      0.820138  57.2864     336.501     29.0204     336.501     
1 1 1 9  9  38 o 41.9276 3.14609 4.38708      0.669267  2.45114      0.634901  22.774      214.662     27.0537     34.662      
1 1 1 9  9  39 o 61.1126 2.81657 6.88096      0.897774  7.24367      0.875672  43.8964     60.1401     20.0486     240.14      
1 1 1 9  9  40 o 39.6883 3.33169 3.29495      0.685132  2.8083       0.657118  35.376      123.85      3.21374     123.85      
1 1 1 9  9  41 o 18.5448 4.4379  0.44744      0.520815  0.834415     0.515208  9.79452     72.2656     6.8165      252.266     
1 1 1 9  9  42 o 42.0271 3.15625 2.86889      0.665258  4.00844      0.671108  42.2222     271.398     13.1127     271.398     
1 1 1 9  9  43 f 48.2602 3.16465 4.70619      0.782165  4.34218      0.781915  41.366      87.6456     0           0           
1 1 1 9  9  44 o 36.0833 3.60894 2.08922      0.639257  3.16264      0.648272  23.7743     113.212     13.247      293.212     
1 1 1 9  9  45 o 17.9791 4.5408  0.9355       0.564347  0.208369     0.57244   8.13639     15.5132     2.78149     15.5132     
1 1 1 9  9  46 o 68.6486 2.88469 9.24962      1.06412   9.06904      0.978216  71.8861     75.0751     26.7895     75.0751     
1 1 1 9  9  47 o 37.2837 3.59425 2.35826      0.656956  3.36269      0.678527  40.3583     11.9282     20.2586     11.9282     
1 1 1 9  9  48 o 13.5951 4.05341 -0.0770081   0.500209  0.349897     0.499462  3.91367     50.3555     9.60306     230.355     
1 1 1 9  9  49 o 20.1096 4.70349 0.999732     0.564999  0.857913     0.579182  14.7315     44.5067     0.34504     44.5068     
1 1 1 9  9  50 o 13.0477 4.02367 0.269386     0.533698  -0.110092    0.502217  3.25068     205.566     0.206768    25.5666     
1 1 1 9  9  51 o 23.0098 5.02297 1.57532      0.673521  1.12703      0.660169  19.1459     260.594     5.60865     260.594     
1 1 1 9  9  52 o 17.5471 4.79847 0.209964     0.693733  1.0956       0.644437  9.63208     253.36      3.46761     73.36       
1 1 1 9  9  53 o 17.1014 4.49969 1.12165      0.597534  0.227143     0.540477  8.08202     314.538     3.15801     314.538     
1 1 1 9  9  54 o 24.0069 5.2937  1.27038      0.657722  2.11986      0.814628  18.2073     78.7587     1.95062     78.7588     
1 1 1 9  9  55 o 21.8679 4.74736 2.49012      0.786466  0.155501     0.660547  15.685      290.43      2.60532     290.43      
1 1 1 9  9  56 o 15.392  4.55603 0.637311     0.628867  0.434791     0.59209   3.56928     49.8336     12.0845     229.834     
1 1 1 9  9  57 o 15.2776 4.67118 0.440374     0.699305  0.638832     0.664666  5.27739     239.855     0.160198    59.8545     
1 1 1 9  9  58 o 15.5346 4.60278 0.788506     0.629603  0.421033     0.631948  5.83819     58.7099     8.11147     238.71      
1 1 1 9  10 0  o 175.354 2.11009 56.4236      1.91674   56.4236      1.91674   212.291     90          78.8224     90          
1 1 1 9  10 1  o 23.5702 3.51954 0.983686     0.416769  1.13581      0.41642   29.0445     64.3921     63.5105     64.3921     
1 1 1 9  10 2  o 134.061 2.1027  32.351       1.45861   33.5818      1.46351   116.871     345.431     0.374294    345.431     
1 1 1 9  10 3  o 29.7262 3.07905 1.69508      0.463725  1.6184       0.456973  64.394      267.097     148.946     267.097     
1 1 1 9  10 4  o 461.411 2.6908  390.8        6.43646   390.601      6.43508   555.152     140.449     208.959     140.449     
1 1 1 9  10 5  o 144.898 2.10759 37.8564      1.58266   39.1707      1.583     145.2       218.782     35.5472     218.782     
1 1 1 9  10 6  o 73.7512 2.2419  9.92038      0.859513  10.0733      0.85049   20.7724     64.7816     54.5733     244.782     
1 1 1 9  10 7  o 211.121 2.16119 82.8264      2.37098   80.7119      2.35912   243.372     105.228     90.2018     105.228     
1 1 1 9  10 8  o 113.194 2.21925 23.9492      1.34289   23.1053      1.25873   49.9119     112.914     104.555     292.914     
1 1 1 9  10 9  o 48.547  2.61366 3.88221      0.64868   4.84703      0.650385  41.9106     261.865     151.783     261.865     
1 1 1 9  10 10 o 105.316 2.26075 19.1623      1.23139   21.6175      1.23064   76.9799     316.71      30.0381     136.71      
1 1 1 9  10 11 o 167.582 2.45912 50.9487      2.14456   52.1555      2.12735   185.155     66.702      58.1997     66.7019     
1 1 1 9  10 12 o 144.996 2.28973 37.4432      1.72102   39.7468      1.71972   160.132     258.276     53.5395     258.276     
1 1 1 9  10 13 o 137.267 2.222   33.78        1.53459   35.3938      1.62764   98.4944     332.275     61.8881     152.275     
1 1 1 9  10 14 o 35.4495 2.98494 2.03737      0.53056   2.66827      0.536402  2.60139     65.1255     34.1572     65.1254     
1 1 1 9  10 15 o 34.3639 3.05795 2.34514      0.543538  2.06885      0.521213  11.4781     221.268     67.1803     221.268     
1 1 1 9  10 16 o 185.918 2.3157  64.9153      2.23274   62.034       2.22984   182.871     348.502     10.4293     348.502     
1 1 1 9  10 17 o 191.113 2.17797 67.0027      2.15847   67.1098      2.15676   186.51      316.691     8.13939     316.691     
1 1 1 9  10 18 o 195.306 2.19083 68.3773      2.21278   71.72        2.22244   205.821     308.594     39.8524     308.594     
1 1 1 9  10 19 o 142.606 2.32333 37.0859      1.72065   37.6219      1.71408   102.025     357.506     65.2167     177.506     
1 1 1 9  10 20 o 62.4073 2.57623 7.12767      0.832282  7.23691      0.827172  14.3055     102.554     80.7537     282.554     
1 1 1 9  10 21 o 55.6929 2.47958 5.2814       0.710772  6.18097      0.709996  15.9738     237.243     62.4474     57.2432     
1 1 1 9  10 22 o 95.6568 2.25673 17.3421      1.12238   16.3199      1.11197   78.7254     239.059     16.6079     59.0589     
1 1 1 9  10 23 o 111.964 2.3316  23.4402      1.30063   22.6695      1.39903   125.748     214.187     47.919      214.187     
1 1 1 9  10 24 o 32.5324 3.61558 1.88601      0.590704  2.11441      0.586879  7.85826     79.7941     62.4529     79.7941     
1 1 1 9  10 25 o 143.812 2.3281  36.9923      1.79499   39.0497      1.66936   119.19      295.707     30.0303     115.707     
1 1 1 9  10 26 o 104.302 2.28246 18.9703      1.2251    21.0939      1.23801   108.076     161.567     27.2381     161.567     
1 1 1 9  10 27 f 203.696 2.36543 75.927       2.58276   76.7042      2.40841   170.021     317.507     0           0           
1 1 1 9  10 28 o 49.0612 2.76741 4.10808      0.691442  4.83466      0.701402  34.6774     208.667     8.89141     208.667     
1 1 1 9  10 29 f 36.8604 3.2959  1.95707      0.594076  3.2263       0.604602  70.5464     141.246     0           0           
1 1 1 9  10 30 o 21.6346 4.17423 1.2103       0.519272  0.596103     0.46769   3.41794     351.654     19.4571     351.654     
1 1 1 9  10 31 o 69.8802 2.86545 7.97781      1.01203   10.221       1.04643   72.4769     174.846     22.7123     174.846     
1 1 1 9  10 32 f 18.9002 4.22911 1.10652      0.521361  -0.00243774  0.544813  15.0913     200.165     0           0           
1 1 1 9  10 33 o 74.2609 2.45096 10.149       0.943852  10.3033      0.937779  57.3316     110.843     18.6558     290.843     
1 1 1 9  10 34 o 58.3737 2.80944 6.74528      0.855586  5.99592      0.833308  47.6384     183.959     7.19799     3.95902     
1 1 1 9  10 35 o 47.6605 3.20205 3.11313      0.743934  5.65205      0.762852  33.5496     115.858     15.0542     295.859     
1 1 1 9  10 36 o 63.3536 2.84197 7.19608      0.950324  7.87852      0.901887  54.4194     232.211     2.77818     52.2115     
1 1 1 9  10 37 o 15.3226 4.00965 0.678044     0.476327  -0.137       0.45481   5.24655     220.387     30.4277     220.387     
1 1 1 9  10 38 o 15.4295 3.99015 0.7043       0.473543  -0.0980704   0.441983  0.00176172  219.178     19.2216     39.1628     
1 1 1 9  10 39 o 29.4537 4.00964 1.60247      0.587194  1.87096      0.592194  26.6952     69.7161     7.00165     69.7161     
1 1 1 9  10 40 o 57.3424 3.02581 5.00331      0.835893  7.69287      0.935283  61.7021     0.564613    23.7691     0.564613    
1 1 1 9  10 41 o 30.7302 4.22185 1.55149      0.626233  2.31471      0.669727  29.3946     199.615     9.20046     199.615     
1 1 1 9  10 42 o 32.5632 3.67828 2.08062      0.594101  2.14955      0.605901  25.327      120.922     3.57374     300.922     
1 1 1 9  10 43 o 18.7122 4.52526 0.702404     0.527822  0.681182     0.527675  11.8284     121.021     1.91675     121.021     
1 1 1 9  10 44 o 21.171  4.05947 0.136455     0.529869  1.63841      0.550009  15.1532     269.743     0.480395    89.7426     
1 1 1 9  10 45 o 45.4912 3.2776  3.9497       0.7229    4.24986      0.801155  42.0345     110.757     7.66193     110.757     
1 1 1 9  10 46 o 45.1641 3.61517 4.90541      0.837526  3.43466      0.804116  40.3143     5.88858     5.03919     5.88857     
1 1 1 9  10 47 o 50.0184 3.07221 5.32731      0.791072  4.64981      0.783258  48.1525     166.216     12.5946     166.216     
1 1 1 9  10 48 o 19.1423 4.64299 0.750672     0.564779  0.875495     0.549574  9.54071     263.111     9.73743     83.1105     
1 1 1 9  10 49 o 25.0729 4.57924 1.68297      0.609688  1.2663       0.596996  25.066      188.53      13.7167     188.53      
1 1 1 9  10 50 o 15.3083 4.29993 0.814584     0.558344  -0.215117    0.576517  7.39197     319.308     4.37227     139.308     
1 1 1 9  10 51 o 16.1216 4.72678 0.365654     0.633876  0.633135     0.665263  7.80981     43.3755     0.119844    223.376     
1 1 1 9  10 52 o 45.0218 4.33856 4.719        1.00834   4.85154      0.960729  42.9974     136.195     13.8624     136.195     
1 1 1 9  10 53 o 13.647  4.23268 0.100843     0.593584  0.312311     0.561882  4.10403     76.3712     7.81643     256.371     
1 1 1 9  10 54 o 14.7934 4.37733 0.125613     0.594223  0.66631      0.569484  3.3901      123.198     11.7187     303.198     
1 1 1 9  10 55 o 14.8448 4.38399 -0.323385    0.599589  0.962822     0.640832  2.48066     201.268     0.603685    21.2684     
1 1 1 9  10 56 o 15.0356 4.53512 0.181921     0.62961   0.755534     0.644396  5.51772     119.151     2.29674     299.151     
1 1 1 9  10 57 o 19.0146 5.04952 0.991716     0.708003  1.26183      0.659462  9.82921     236.694     6.08547     56.6939     
1 1 1 9  10 58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  11 0  o 168.119 2.10994 51.8735      1.83742   51.8735      1.83742   157.68      90          15.0879     270         
1 1 1 9  11 1  o 233.829 2.18402 102.22       2.65243   98.4181      2.64142   243.187     29.1348     39.8641     29.1348     
1 1 1 9  11 2  o 87.1156 2.15829 13.7759      0.974848  14.1053      0.97124   46.5276     163.722     46.6672     343.722     
1 1 1 9  11 3  f 57.5876 2.33287 6.10408      0.694544  6.10645      0.692401  55.7206     67.5561     0           0           
1 1 1 9  11 4  o 167.056 2.11964 50.8513      1.83641   51.5492      1.8345    124.821     296.315     65.2676     116.315     
1 1 1 9  11 5  o 90.2424 2.17987 15.1645      1.02568   14.7555      1.01073   55.9086     291.182     37.5492     111.182     
1 1 1 9  11 6  o 14.8444 3.36884 0.700535     0.34967   -0.0600161   0.329196  21.9642     119.561     46.2482     119.561     
1 1 1 9  11 7  o 127.33  2.2376  31.6269      1.48619   27.9533      1.46329   100.25      278.589     33.0329     98.5894     
1 1 1 9  11 8  o 89.9046 2.27413 15.6896      1.06636   14.0393      1.04828   61.8976     202.645     37.9669     202.645     
1 1 1 9  11 9  o 60.3751 2.41475 7.28892      0.763175  6.16027      0.739747  23.9887     121.914     151.841     121.914     
1 1 1 9  11 10 o 177.736 2.2028  57.609       1.97583   58.3468      2.0823    180.984     80.9475     24.3869     80.9475     
1 1 1 9  11 11 o 116.116 2.39587 23.1959      1.38708   26.4051      1.49439   96.7316     35.0479     22.3829     215.048     
1 1 1 9  11 12 o 165.747 2.47062 51.7744      2.12599   49.1358      2.11845   206.3       96.6287     99.7938     96.6287     
1 1 1 9  11 13 o 90.119  2.33228 14.5251      1.08615   15.3427      1.08861   58.4332     324.425     48.3758     144.425     
1 1 1 9  11 14 o 47.7705 2.64715 4.11793      0.651668  4.31969      0.648454  17.8398     129.399     1.43554     309.399     
1 1 1 9  11 15 f 110.775 2.29925 23.4211      1.3228    21.7014      1.31373   92.6622     99.2994     0           0           
1 1 1 9  11 16 o 93.9237 2.22225 15.5226      1.08058   16.9259      1.0786    43.3668     62.3907     86.9792     242.391     
1 1 1 9  11 17 o 124.785 2.1703  26.7599      1.39466   30.5051      1.408     89.4917     69.8747     54.75       249.875     
1 1 1 9  11 18 f 19.3773 3.80647 0.548486     0.40231   0.870676     0.401198  56.7373     353.333     0           0           
1 1 1 9  11 19 o 113.929 2.35902 22.8054      1.38684   24.9514      1.39465   110.815     69.0872     12.6335     69.0872     
1 1 1 9  11 20 o 172.396 2.35275 54.36        2.09984   54.8492      2.10512   158.006     291.825     8.83198     111.825     
1 1 1 9  11 21 o 196.969 2.22312 70.0792      2.2654    72.463       2.27391   204.99      286.869     38.7028     286.869     
1 1 1 9  11 22 o 123.249 2.2267  27.8112      1.42193   28.0371      1.42088   115.002     119.973     1.85741     119.974     
1 1 1 9  11 23 o 149.783 2.22025 40.9749      1.72619   41.4663      1.7214    95.1458     102.716     90.4983     282.716     
1 1 1 9  11 24 o 79.3626 2.44464 10.4022      0.951269  12.8699      1.05506   52.554      127.488     37.7067     307.488     
1 1 1 9  11 25 o 119.315 2.53667 27.6338      1.63083   24.834       1.50421   107.113     156.717     4.91494     336.717     
1 1 1 9  11 26 o 66.4898 2.45995 8.37085      0.85088   7.94524      0.838722  47.065      203.352     20.6103     23.3521     
1 1 1 9  11 27 o 47.1573 2.73633 3.78021      0.655864  4.48689      0.666976  14.5547     312.6       47.4395     132.6       
1 1 1 9  11 28 o 53.6093 2.65414 5.50105      0.736398  5.1516       0.728984  47.0841     250.362     23.4561     250.362     
1 1 1 9  11 29 o 136.571 2.27569 33.3478      1.60579   35.3927      1.61546   162.327     332.118     75.9894     332.118     
1 1 1 9  11 30 o 120.818 2.42899 27.2285      1.52293   26.6975      1.51635   108.055     45.6686     4.72134     225.668     
1 1 1 9  11 31 o 26.8486 3.93946 1.63323      0.535587  1.17459      0.525996  10.4254     187.317     17.7106     7.31659     
1 1 1 9  11 32 o 41.3167 3.18425 3.20651      0.66505   3.22487      0.676809  23.3789     21.3162     23.6221     201.316     
1 1 1 9  11 33 o 129.33  2.4293  32.1835      1.56112   29.8487      1.68506   116.622     246.874     1.38769     66.8741     
1 1 1 9  11 34 o 32.9846 3.61955 2.45816      0.610333  1.75837      0.579446  26.6689     222.565     5.60421     222.565     
1 1 1 9  11 35 o 74.1874 2.64112 10.403       1.02128   10.1732      1.00353   62.9153     330.437     5.93737     150.437     
1 1 1 9  11 36 o 65.579  2.72454 7.39749      0.909915  8.78858      0.930405  62.458      74.0338     9.54188     74.0338     
1 1 1 9  11 37 o 71.2174 2.57124 9.29704      0.943203  9.75573      0.948605  71.7816     316.37      18.0516     316.37      
1 1 1 9  11 38 o 51.5739 2.93809 4.12839      0.763952  6.08693      0.768653  55.7213     116.495     22.6656     116.495     
1 1 1 9  11 39 o 28.2497 3.80611 1.34362      0.52878   1.85229      0.543277  18.5208     194.789     9.68959     14.7888     
1 1 1 9  11 40 o 41.2863 3.50076 3.29656      0.707601  3.35911      0.760155  35.8317     84.3357     1.19898     84.3358     
1 1 1 9  11 41 o 29.7504 3.89594 1.87169      0.602302  1.70319      0.555361  32.3215     151.051     20.8361     151.051     
1 1 1 9  11 42 o 17.4349 3.86203 -0.185163    0.45565   1.14942      0.495366  9.46652     55.9984     4.14892     235.998     
1 1 1 9  11 43 o 13.0194 3.97413 0.00354227   0.50426   0.0639039    0.475295  2.16124     265.333     9.6151      85.3329     
1 1 1 9  11 44 o 14.6924 4.18397 0.400218     0.504571  0.140697     0.481898  5.23141     38.5143     3.44053     218.514     
1 1 1 9  11 45 o 33.1726 4.04061 1.95065      0.688063  2.66058      0.632605  23.1597     297.865     8.27875     117.865     
1 1 1 9  11 46 o 44.8955 3.82297 4.72738      0.86817   3.65067      0.859774  43.5624     110.364     12.5631     110.364     
1 1 1 9  11 47 o 30.555  4.78319 1.86468      0.731364  2.40412      0.747289  27.584      220.439     6.6217      220.439     
1 1 1 9  11 48 o 14.7884 4.30504 0.311195     0.565528  0.333632     0.499498  5.05268     331.728     10.4584     151.728     
1 1 1 9  11 49 o 15.627  4.14573 0.979919     0.550049  -0.30076     0.511079  4.90142     133.367     1.9246      133.367     
1 1 1 9  11 50 o 23.4269 4.91418 1.93272      0.70779   0.890414     0.629833  12.2631     206.407     11.3216     26.4073     
1 1 1 9  11 51 o 13.2744 4.07683 0.566027     0.585122  -0.43175     0.52132   3.79375     124.332     6.46735     304.332     
1 1 1 9  11 52 o 13.7154 4.23285 0.27778      0.562679  0.167263     0.574866  4.61661     127.607     1.71264     307.607     
1 1 1 9  11 53 o 12.5658 3.95265 0.520043     0.577983  -0.576532    0.52401   2.57698     305.573     6.30311     125.573     
1 1 1 9  11 54 o 12.8678 4.08067 -0.151988    0.583643  0.321492     0.566068  1.93369     95.4115     6.91491     275.411     
1 1 1 9  11 55 o 17.977  4.99018 0.746449     0.677756  1.10847      0.691977  9.38723     306.43      2.4748      126.43      
1 1 1 9  11 56 o 16.6671 4.85429 0.602292     0.686499  0.958748     0.680963  8.23855     27.2422     0.593393    27.2421     
1 1 1 9  11 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  12 0  f 90.573  2.17166 15.0959      1.01692   15.0959      1.01692   60.0643     270         0           0           
1 1 1 9  12 1  o 135.832 2.11923 33.9352      1.49123   33.7767      1.49305   113.817     17.5384     25.101      197.538     
1 1 1 9  12 2  o 89.6986 2.19822 13.637       1.01493   15.9756      1.02181   55.3618     35.78       47.1102     215.78      
1 1 1 9  12 3  o 53.2803 2.46707 4.84891      0.677539  5.6336       0.67434   9.91267     199.017     53.0513     19.0168     
1 1 1 9  12 4  o 80.7083 2.2862  10.9167      0.947776  13.0822      0.955971  60.1026     71.5358     14.6316     251.536     
1 1 1 9  12 5  o 70.66   2.33734 9.0616       0.855607  9.30916      0.851677  20.4747     258.947     81.8331     78.9471     
1 1 1 9  12 6  o 413.08  2.73153 312.647      5.85209   314.2        5.84556   462.181     255.396     123.015     255.396     
1 1 1 9  12 7  o 123.269 2.26354 26.9407      1.4451    28.8979      1.44373   83.0632     194.249     65.9599     14.2495     
1 1 1 9  12 8  o 120.661 2.20003 27.0665      1.33774   26.4012      1.41091   124.77      137.16      25.4898     137.16      
1 1 1 9  12 9  o 83.8783 2.27156 12.0994      0.955334  13.7979      1.01617   27.6201     116.725     99.4249     296.725     
1 1 1 9  12 10 o 122.905 2.26877 28.3578      1.44594   27.1512      1.44197   112.921     230.928     3.76986     50.928      
1 1 1 9  12 11 o 260.075 2.5949  123.744      3.49419   124.774      3.50228   249.173     233.157     1.73033     53.1576     
1 1 1 9  12 12 o 193.645 2.50135 70.9819      2.51889   66.8151      2.50147   156.041     182.504     57.978      2.50389     
1 1 1 9  12 13 o 205.001 2.31285 75.0535      2.45103   79.3335      2.46335   209.245     283.183     27.9039     283.183     
1 1 1 9  12 14 o 194.506 2.29634 70.1801      2.31536   68.7863      2.31499   172.833     298.751     24.4721     118.751     
1 1 1 9  12 15 f 30.2097 3.00264 1.46701      0.454446  1.97488      0.450298  14.7543     122.833     0           0           
1 1 1 9  12 16 o 150.857 2.15211 42.779       1.6894    40.8129      1.676     163.927     112.005     46.3705     112.005     
1 1 1 9  12 17 o 108.138 2.18982 22.7343      1.23324   20.2877      1.21706   134.045     265.611     77.9675     265.611     
1 1 1 9  12 18 o 105.798 2.21257 21.4984      1.21716   19.6755      1.20566   107.115     257.002     22.3095     257.002     
1 1 1 9  12 19 o 207.978 2.39335 83.3334      2.59558   75.7221      2.56189   179.292     59.9466     34.496      239.947     
1 1 1 9  12 20 o 70.5821 2.43951 9.34097      0.926959  9.01599      0.852232  31.2862     204.611     63.7201     24.6111     
1 1 1 9  12 21 o 83.9023 2.28921 12.6523      0.991861  13.2603      0.995288  75.148      45.1608     0.339183    45.1622     
1 1 1 9  12 22 o 23.6971 3.82267 0.819865     0.461282  1.34922      0.465479  20.298      84.7961     69.1213     84.7961     
1 1 1 9  12 23 o 39.6691 2.90583 2.57506      0.583965  3.30586      0.585448  10.7936     229.763     37.6242     49.7633     
1 1 1 9  12 24 o 21.3939 4.09892 0.891864     0.473646  0.85976      0.457911  23.7489     307.452     70.5161     307.452     
1 1 1 9  12 25 o 132.134 2.3515  33.1786      1.55288   31.1071      1.66009   118.762     328.962     4.80959     148.962     
1 1 1 9  12 26 o 13.9623 4.04674 0.119052     0.476404  0.132103     0.458243  18.0232     58.762      42.2167     58.762      
1 1 1 9  12 27 o 100.821 2.31136 18.5681      1.20665   18.9126      1.20597   73.9893     340.016     34.8861     160.016     
1 1 1 9  12 28 o 110.951 2.29561 21.606       1.30837   23.8352      1.32778   107.114     191.202     12.7712     191.202     
1 1 1 9  12 29 o 53.9976 2.71452 5.20942      0.751341  5.6338       0.757634  58.5527     303.629     27.6321     303.629     
1 1 1 9  12 30 o 42.461  3.04823 3.73749      0.657471  3.04401      0.659036  33.9914     88.7816     2.84158     268.782     
1 1 1 9  12 31 o 63.8245 2.50939 7.74035      0.833853  7.39536      0.81995   43.5552     143.589     26.4108     323.589     
1 1 1 9  12 32 o 39.8246 3.08025 2.92971      0.649133  3.05596      0.598953  27.8615     338.309     10.5178     158.309     
1 1 1 9  12 33 o 70.8174 2.7081  9.47662      0.988846  9.25493      0.99183   57.523      153.681     10.5482     333.681     
1 1 1 9  12 34 o 46.3431 3.22513 4.08578      0.72483   4.06566      0.801858  34.8885     33.8106     9.83396     213.811     
1 1 1 9  12 35 o 49.559  2.88254 4.94081      0.752727  4.3487       0.714787  34.6624     94.9888     16.9712     274.989     
1 1 1 9  12 36 o 14.5341 3.66752 -0.498554    0.432951  0.748047     0.438137  0.975491    237.512     11.8992     57.5117     
1 1 1 9  12 37 o 13.0083 3.75581 0.35915      0.43036   -0.192433    0.413749  0.251164    111.779     10.9324     291.779     
1 1 1 9  12 38 o 24.9779 4.07697 1.13272      0.521039  1.39321      0.515365  19.5472     174.866     0.0752607   174.866     
1 1 1 9  12 39 o 12.9231 3.78893 0.269049     0.428775  -0.0856166   0.422107  2.35231     146.999     5.14191     326.999     
1 1 1 9  12 40 o 60.4835 2.91927 7.45041      0.911296  6.58283      0.905575  61.0891     133.2       17.7301     133.2       
1 1 1 9  12 41 o 64.6008 2.6577  8.0618       0.887335  7.87118      0.88484   57.9884     161.578     4.46267     161.578     
1 1 1 9  12 42 o 20.6554 4.39207 0.72265      0.497017  1.06156      0.528523  9.49646     246.276     12.7207     66.276      
1 1 1 9  12 43 o 17.7543 4.51222 0.809874     0.518041  0.320385     0.5855    8.03239     111.066     8.82496     291.066     
1 1 1 9  12 44 o 58.2412 3.01259 7.34457      0.863319  5.9732       0.924744  61.4297     215.418     24.6292     215.418     
1 1 1 9  12 45 o 72.3929 2.83354 10.8148      1.11317   9.70941      1.00582   64.0627     146.757     5.40756     146.757     
1 1 1 9  12 46 o 28.2223 4.51858 1.22018      0.633788  2.40918      0.684592  26.2329     80.4008     8.47471     80.4008     
1 1 1 9  12 47 o 57.2716 3.28413 6.06337      0.962779  7.39558      0.960154  55.7906     149.518     16.2352     149.518     
1 1 1 9  12 48 o 23.4108 4.55424 1.63026      0.596613  0.972159     0.569412  18.9938     54.6451     13.9619     54.6451     
1 1 1 9  12 49 o 14.9147 4.36571 0.493576     0.557944  0.220107     0.552839  6.63778     327.615     3.53513     147.615     
1 1 1 9  12 50 o 21.7774 4.61733 1.79907      0.640117  0.586922     0.589948  17.2583     169.552     4.91607     169.552     
1 1 1 9  12 51 o 14.5502 4.36717 -0.0530601   0.604068  0.624955     0.590849  5.9541      13.1979     4.05611     193.198     
1 1 1 9  12 52 o 16.9111 4.60149 0.413124     0.599907  0.96077      0.580036  9.36823     248.979     0.0327567   248.979     
1 1 1 9  12 53 f 18.5086 5.0209  0.86196      0.655539  1.07715      0.696619  16.3424     326.408     0           0           
1 1 1 9  12 54 o 21.647  5.20196 1.42303      0.704324  1.37279      0.690011  14.5409     64.7757     0.868107    64.7757     
1 1 1 9  12 55 o 15.4636 4.50837 1.09663      0.655957  -0.179839    0.636361  6.00358     260.886     5.84905     80.8857     
1 1 1 9  12 56 o 12.5207 4.08228 -0.435107    0.621661  0.368622     0.639686  3.02917     266.346     6.07971     86.346      
1 1 1 9  13 0  o 66.4419 2.47711 8.16576      0.847688  8.16576      0.847688  39.2267     90          49.546      270         
1 1 1 9  13 1  o 58.6644 2.5449  6.61949      0.771271  6.07492      0.768049  42.9583     145.778     9.0781      145.778     
1 1 1 9  13 2  o 83.4501 2.5419  12.4786      1.15065   13.1529      1.03654   62.3787     219.516     24.8648     39.5161     
1 1 1 9  13 3  o 106.725 2.39923 20.7832      1.32458   21.0891      1.32661   69.9726     47.0896     58.9798     227.09      
1 1 1 9  13 4  f 79.7903 2.37827 11.0811      0.954025  12.358       1.00889   101.189     63.6316     0           0           
1 1 1 9  13 5  o 85.9952 2.40733 12.5619      1.06567   14.6822      1.07175   80.9336     302.016     10.5218     302.016     
1 1 1 9  13 6  f 36.4209 2.78619 2.28608      0.513893  2.65281      0.519128  51.808      273.888     0           0           
1 1 1 9  13 7  o 56.8181 2.41622 6.35205      0.708565  5.56179      0.705804  11.3493     33.8903     74.5831     213.89      
1 1 1 9  13 8  o 104.743 2.26582 19.7884      1.22473   20.5424      1.2326    97.579      18.2408     3.72824     18.2408     
1 1 1 9  13 9  o 108.349 2.26055 22.4266      1.26729   20.7408      1.26765   88.3251     99.896      23.4034     279.896     
1 1 1 9  13 10 o 129.384 2.25388 30.7012      1.5098    30.7805      1.51344   101.594     127.25      39.1792     307.25      
1 1 1 9  13 11 o 107.373 2.45799 20.806       1.36322   21.6026      1.36903   120.414     325.422     48.2526     325.422     
1 1 1 9  13 12 o 224.408 2.52196 92.723       2.92941   92.3488      2.93784   227.173     93.9689     27.7258     93.9689     
1 1 1 9  13 13 o 127.337 2.21024 30.1301      1.50412   29.4462      1.41189   63.128      344.594     112.64      164.594     
1 1 1 9  13 14 o 136.707 2.15535 35.1848      1.53302   33.4648      1.52124   104.223     144.931     47.3118     324.931     
1 1 1 9  13 15 o 48.7245 2.47145 4.45914      0.624068  4.31137      0.616028  27.2069     307.151     2.71086     127.151     
1 1 1 9  13 16 o 229.228 2.2236  96.8084      2.64453   96.2212      2.63973   237.839     4.59042     42.3794     4.59042     
1 1 1 9  13 17 o 91.2438 2.24275 14.8241      1.05427   15.8076      1.06345   108.228     180.453     59.7558     180.453     
1 1 1 9  13 18 o 36.9473 3.00094 2.00587      0.532212  3.15038      0.581321  9.38152     37.938      7.12843     217.938     
1 1 1 9  13 19 o 56.6142 2.60545 6.04626      0.764409  5.79277      0.756375  50.8488     261.722     18.8109     261.722     
1 1 1 9  13 20 o 134.064 2.20837 34.4811      1.54258   31.6013      1.52527   125.291     259.635     2.37687     259.635     
1 1 1 9  13 21 o 70.0265 2.37581 8.24363      0.853944  9.86674      0.861018  73.2214     290.276     31.2128     290.276     
1 1 1 9  13 22 o 106.511 2.249   20.9179      1.24586   20.8314      1.23474   79.0315     254.023     36.456      74.023      
1 1 1 9  13 23 o 71.1071 2.37719 9.62243      0.875682  9.028        0.87122   53.7861     116.944     15.7916     296.944     
1 1 1 9  13 24 o 76.7538 2.37656 9.30081      0.926699  12.5486      0.946297  51.1336     183.135     32.9694     3.13518     
1 1 1 9  13 25 o 160.844 2.24579 49.8787      1.88246   45.4157      1.86028   137.595     92.0645     20.8828     272.065     
1 1 1 9  13 26 o 60.3425 2.6192  7.13232      0.779914  6.36555      0.843366  51.4964     232.719     0.530345    232.719     
1 1 1 9  13 27 o 19.4999 4.39072 0.647052     0.504081  0.752957     0.49699   2.62241     344.129     17.866      344.129     
1 1 1 9  13 28 o 28.7305 3.63372 1.47828      0.520581  1.69237      0.521036  11.4943     34.1358     71.287      34.1358     
1 1 1 9  13 29 o 68.2781 2.59948 7.57638      0.900754  9.80753      0.923222  64.6511     298.708     8.42713     298.708     
1 1 1 9  13 30 o 137.104 2.28752 35.4706      1.63112   34.0697      1.62002   116.648     26.212      15.7611     206.212     
1 1 1 9  13 31 o 80.7614 2.40037 12.3179      1.00404   11.9066      1.00105   80.252      203.205     17.0135     203.205     
1 1 1 9  13 32 o 73.5765 2.44357 9.98104      0.932794  10.1741      0.925755  90.9853     121.72      54.1625     121.72      
1 1 1 9  13 33 o 12.2995 3.71314 -0.400362    0.473464  0.215519     0.417645  1.51997     202.177     6.12217     202.177     
1 1 1 9  13 34 o 55.2328 3.16999 5.52675      0.894367  6.06753      0.903943  52.176      207.924     8.44739     207.924     
1 1 1 9  13 35 o 18.6573 4.27442 0.579137     0.475294  0.752489     0.473317  0.846045    23.5578     30.0521     23.5578     
1 1 1 9  13 36 o 24.0909 4.24832 1.33291      0.534864  1.02629      0.526876  17.3825     108.788     1.39288     288.788     
1 1 1 9  13 37 o 60.7965 2.64264 6.13355      0.815295  7.89074      0.833705  55.7278     52.6941     5.32939     52.694      
1 1 1 9  13 38 o 31.3424 3.73488 3.04941      0.575918  1.06398      0.545346  19.6132     175.682     13.3359     355.682     
1 1 1 9  13 39 o 34.3746 3.60622 2.18564      0.596287  2.50369      0.65031   33.0779     188.216     9.57051     188.216     
1 1 1 9  13 40 o 33.0607 4.55581 2.30975      0.652318  2.25119      0.844331  28.9371     81.1274     3.82291     81.1274     
1 1 1 9  13 41 o 26.2557 4.26404 1.13296      0.605592  1.76172      0.543626  10.0266     188.741     22.8709     8.74115     
1 1 1 9  13 42 o 23.0032 4.51597 0.811338     0.569099  1.45786      0.576934  10.3037     2.73177     15.6664     182.732     
1 1 1 9  13 43 o 15.6532 4.43872 0.458124     0.579616  0.243259     0.518699  2.33909     41.3013     17.8162     221.301     
1 1 1 9  13 44 o 35.1472 3.53621 2.32046      0.616393  2.73469      0.633121  26.4237     263.29      5.03667     83.29       
1 1 1 9  13 45 o 21.6469 4.29402 0.48957      0.541746  1.56881      0.554626  18.8833     248.505     10.7926     248.505     
1 1 1 9  13 46 o 24.4089 4.3307  0.883547     0.550882  1.84771      0.584683  20.0977     273.19      2.74192     273.19      
1 1 1 9  13 47 o 15.2253 4.42271 0.334508     0.50618   0.421236     0.612338  7.70289     251.891     3.78229     71.8909     
1 1 1 9  13 48 o 28.4918 4.76059 2.18983      0.738113  1.74862      0.647408  23.993      252.847     4.08862     252.847     
1 1 1 9  13 49 o 16.0371 4.46706 0.256605     0.559426  0.776243     0.565164  8.05896     254.659     1.40568     74.6588     
1 1 1 9  13 50 o 15.0931 4.38482 0.111966     0.595349  0.666617     0.551745  6.54552     17.3399     4.54159     197.34      
1 1 1 9  13 51 o 15.6196 4.48876 0.296719     0.558427  0.748778     0.596376  6.63753     262.001     6.12287     82.0011     
1 1 1 9  13 52 f 13.9751 4.10684 -0.421547    0.539853  0.804962     0.562518  7.21672     235.494     0           0           
1 1 1 9  13 53 o 11.1276 3.70734 -0.0268771   0.568192  -0.522766    0.54664   0.277005    51.957      3.61245     231.957     
1 1 1 9  13 54 o 17.7366 4.78428 0.374941     0.691844  1.28551      0.638895  7.46306     48.2448     8.3878      228.245     
1 1 1 9  13 55 o 14.904  4.60202 0.44698      0.642668  0.523491     0.700782  6.11352     143.169     3.65191     323.169     
1 1 1 9  13 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  14 0  o 53.053  2.56663 5.23678      0.698127  5.23678      0.698127  38.7155     270         1.20049     270         
1 1 1 9  14 1  o 88.4309 2.40695 13.9426      1.09387   14.8339      1.10825   86.1313     322.941     16.9953     322.941     
1 1 1 9  14 2  o 138.503 2.30889 34.8703      1.60893   35.59        1.70581   131.379     356.684     3.73663     356.684     
1 1 1 9  14 3  o 187.486 2.27613 64.4502      2.20483   64.6518      2.21929   143.064     218.134     70.4274     38.1342     
1 1 1 9  14 4  o 105.403 2.24273 20.6373      1.22749   20.2025      1.22039   97.5197     247.109     2.83069     247.109     
1 1 1 9  14 5  o 111.446 2.23884 23.4503      1.29173   22.2106      1.29164   128.538     157.691     56.8968     157.691     
1 1 1 9  14 6  o 75.842  2.3035  10.6089      0.901551  10.5584      0.90538   50.4051     230.4       32.5896     50.4002     
1 1 1 9  14 7  o 217.757 2.28096 87.5303      2.57356   86.6483      2.57571   256.697     208.098     101.284     208.098     
1 1 1 9  14 8  o 198.18  2.28031 70.9358      2.33391   73.3436      2.3509    182.929     253.442     9.50943     73.4418     
1 1 1 9  14 9  o 121.714 2.22882 27.9791      1.40666   26.4816      1.40267   110.529     261.591     3.69811     81.5915     
1 1 1 9  14 10 o 251.937 2.28721 120.179      3.08165   113.047      2.89295   234.37      209.479     9.90902     29.4794     
1 1 1 9  14 11 o 191.883 2.40739 70.0403      2.48339   65.2977      2.30632   193.882     146.853     26.2313     146.853     
1 1 1 9  14 12 f 62.1198 2.47616 6.72497      0.797969  7.51343      0.787662  54.2445     254.325     0           0           
1 1 1 9  14 13 f 64.7849 2.23955 7.79677      0.748947  7.65884      0.750599  88.2071     211.241     0           0           
1 1 1 9  14 14 o 108.972 2.2008  22.4129      1.24912   21.2536      1.23434   111.033     78.8759     23.9054     78.8759     
1 1 1 9  14 15 o 236.972 2.23262 101.827      2.74081   104.499      2.74383   232.448     297.415     18.2071     297.415     
1 1 1 9  14 16 o 178.264 2.20457 58.7494      2.03811   58.0087      2.03608   181.004     59.402      28.6292     59.402      
1 1 1 9  14 17 o 151.208 2.17991 43.5867      1.71338   40.4526      1.70244   159.041     134.058     37.3867     134.058     
1 1 1 9  14 18 o 34.5315 2.99758 2.00596      0.503926  2.46315      0.545589  8.79653     277.068     21.4823     97.0679     
1 1 1 9  14 19 o 155.279 2.37181 45.737       1.91715   42.9547      1.90009   127.778     150.831     32.6828     330.831     
1 1 1 9  14 20 o 40.4041 2.79408 2.93796      0.578194  3.1329       0.576629  16.5729     125.41      22.5459     305.41      
1 1 1 9  14 21 o 18.047  3.85981 0.826575     0.414955  0.367556     0.394886  13.3451     320.125     35.8886     320.125     
1 1 1 9  14 22 o 142.706 2.21484 35.9129      1.62978   39.0451      1.64543   132.11      83.8264     2.95718     83.8264     
1 1 1 9  14 23 o 50.0139 2.59976 4.17824      0.665612  5.11587      0.667437  15.1774     173.073     53.842      353.073     
1 1 1 9  14 24 f 97.8505 2.28291 16.615       1.15171   18.7256      1.15818   78.1367     7.88344     0           0           
1 1 1 9  14 25 o 46.1405 2.70135 3.72313      0.641488  4.20277      0.636753  16.9347     29.7453     45.0159     209.745     
1 1 1 9  14 26 o 23.4812 3.8494  1.27062      0.474582  0.878495     0.448926  5.66013     225.752     15.0465     45.7525     
1 1 1 9  14 27 o 40.4381 3.2157  3.08692      0.625302  3.06988      0.696701  36.6787     343.401     9.34535     343.401     
1 1 1 9  14 28 o 45.5956 3.19258 4.05254      0.746004  3.76984      0.74256   39.0733     187.779     1.60859     187.779     
1 1 1 9  14 29 o 92.0688 2.35167 14.4258      1.11106   17.0589      1.12492   84.3448     95.2671     3.68217     95.2671     
1 1 1 9  14 30 o 39.3583 2.92594 2.73725      0.590225  3.10912      0.582905  36.3264     189.382     10.6193     189.382     
1 1 1 9  14 31 o 30.5473 3.39353 1.86381      0.522336  1.72929      0.516614  10.2068     175.465     29.6147     355.465     
1 1 1 9  14 32 o 34.7438 3.14429 2.64595      0.554358  1.98969      0.543024  28.9701     23.1598     1.93065     23.1599     
1 1 1 9  14 33 o 36.5515 3.39007 2.87027      0.624069  2.29428      0.621937  30.1716     171.856     0.488519    351.856     
1 1 1 9  14 34 o 22.5973 4.40203 0.898578     0.557937  1.15897      0.514985  3.38373     49.0064     29.4356     229.006     
1 1 1 9  14 35 o 37.2998 3.97602 2.94347      0.741178  2.5657       0.74508   33.7436     333.84      5.01642     333.84      
1 1 1 9  14 36 o 30.0516 4.39786 1.96256      0.544788  1.69974      0.770105  21.0851     238.494     7.61714     58.4944     
1 1 1 9  14 37 f 44.3715 3.10197 3.60749      0.738123  3.98235      0.660571  39.3393     354.463     0           0           
1 1 1 9  14 38 o 35.4434 3.50031 2.80614      0.657871  2.17147      0.591779  38.7715     182.386     20.1974     182.386     
1 1 1 9  14 39 o 32.1445 4.04534 2.27236      0.680686  1.95073      0.618618  19.1025     353.418     15.2872     173.418     
1 1 1 9  14 40 o 11.0527 3.48733 -0.0426228   0.411108  -0.180748    0.403412  0.386828    291.561     3.6427      111.561     
1 1 1 9  14 41 o 65.5518 2.70693 8.74053      0.917511  7.81493      0.911939  50.5607     163.467     10.7777     343.467     
1 1 1 9  14 42 o 31.6582 4.05428 1.64078      0.628029  2.58641      0.642965  24.4234     329.237     2.57283     149.237     
1 1 1 9  14 43 o 35.8677 3.81258 2.10476      0.661692  3.28411      0.688163  29.7786     143.021     0.747226    143.021     
1 1 1 9  14 44 o 13.0448 3.9147  0.0174327    0.460413  0.229805     0.466063  4.51746     300.482     4.02736     120.482     
1 1 1 9  14 45 o 18.5938 4.37605 0.407461     0.516295  1.08053      0.525704  10.9246     141.375     5.35065     321.375     
1 1 1 9  14 46 o 43.1758 3.29867 4.08201      0.730424  3.65678      0.720865  47.1952     352.748     24.4523     352.748     
1 1 1 9  14 47 o 26.5342 4.32884 1.05308      0.593939  2.29664      0.615625  24.6507     146.135     9.84927     146.135     
1 1 1 9  14 48 o 16.2304 4.58875 0.98337      0.638476  -0.134927    0.648666  7.88353     239.351     3.82058     59.3512     
1 1 1 9  14 49 o 15.4981 4.42316 0.670659     0.563988  0.290691     0.548089  6.39035     78.6105     6.7364      258.61      
1 1 1 9  14 50 o 15.8365 4.22537 1.1958       0.597204  -0.43505     0.548301  8.15793     240.003     0.0263186   60.0012     
1 1 1 9  14 51 o 16.0262 4.36307 1.02187      0.567632  0.052765     0.554615  7.01648     46.4684     0.814831    226.468     
1 1 1 9  14 52 o 13.2978 4.12975 0.359557     0.564817  0.0590424    0.536823  1.72444     188.082     2.04819     8.08227     
1 1 1 9  14 53 o 13.2316 4.12246 0.637507     0.611144  -0.363189    0.542005  2.27928     87.041      1.835       267.041     
1 1 1 9  14 54 o 14.7948 4.48054 0.755474     0.626443  0.128292     0.639394  2.78348     166.948     0.314951    166.948     
1 1 1 9  14 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  15 0  f 158.825 2.14758 46.3263      1.76662   46.3263      1.76662   157.194     90          0           0           
1 1 1 9  15 1  o 108.891 2.16865 22.0983      1.22733   21.4867      1.21834   82.2348     291.481     35.6813     111.481     
1 1 1 9  15 2  o 128.155 2.18243 29.5434      1.48016   30.8034      1.41562   88.1787     103.052     62.4689     283.052     
1 1 1 9  15 3  o 254.961 2.30112 120.872      3.1328    117.946      2.9487    287.764     294.985     92.7504     294.985     
1 1 1 9  15 4  o 168.612 2.17519 53.405       1.95354   51.0275      1.84896   184.353     58.6928     53.5277     58.6928     
1 1 1 9  15 5  o 115.566 2.2982  24.7079      1.35115   24.3959      1.3988    124.003     291.328     38.0755     291.328     
1 1 1 9  15 6  o 151.708 2.40134 42.8562      1.94968   41.7203      1.82649   154.922     138.211     27.2899     138.211     
1 1 1 9  15 7  f 137.128 2.30952 34.0592      1.75595   35.054       1.51276   98.362      200.882     0           0           
1 1 1 9  15 8  o 74.2067 2.31108 9.87372      0.927475  10.4007      0.841144  47.5591     42.0694     35.7249     222.069     
1 1 1 9  15 9  o 107.868 2.23608 21.0915      1.29812   21.6919      1.19598   109.502     208.793     23.3998     208.793     
1 1 1 9  15 10 o 93.1806 2.27935 15.3695      1.14363   16.5808      1.04788   64.5634     146.136     40.3591     326.136     
1 1 1 9  15 11 o 89.3376 2.56298 13.9001      1.24049   15.5135      1.11506   67.8754     167.351     25.5872     347.351     
1 1 1 9  15 12 o 100.059 2.54138 18.1394      1.25582   18.7207      1.37502   87.9406     86.0936     6.00031     266.094     
1 1 1 9  15 13 o 201.67  2.29264 76.296       2.29944   73.1827      2.48557   191.919     283.705     5.8397      283.705     
1 1 1 9  15 14 o 96.38   2.20912 16.8997      1.10079   17.271       1.10356   107.155     324.395     42.5079     324.395     
1 1 1 9  15 15 o 150.884 2.19229 41.2718      1.71532   42.3958      1.7137    134.47      320.042     11.0566     140.042     
1 1 1 9  15 16 f 96.0958 2.2347  16.7826      1.11122   17.2001      1.11194   126.976     16.3356     0           0           
1 1 1 9  15 17 o 91.9523 2.25642 15.7065      1.08152   15.4186      1.06626   93.4021     117.873     23.9107     117.873     
1 1 1 9  15 18 o 51.976  2.71496 4.98017      0.731491  5.02256      0.721021  28.5443     125.701     27.3398     305.701     
1 1 1 9  15 19 o 85.8012 2.4797  13.4399      1.10499   13.7082      1.0959    50.6478     36.6024     52.412      216.602     
1 1 1 9  15 20 o 80.7482 2.33179 12.6818      0.981595  11.3764      0.964943  79.283      215.539     19.343      215.539     
1 1 1 9  15 21 o 69.9986 2.3813  8.85717      0.860595  9.23408      0.862159  66.227      173.037     13.5563     173.037     
1 1 1 9  15 22 o 130.264 2.22677 30.8698      1.50252   31.6294      1.50452   139.376     122.135     42.211      122.135     
1 1 1 9  15 23 o 80.2077 2.33388 11.5565      0.965968  12.2092      0.970118  85.4591     52.2028     29.693      52.2029     
1 1 1 9  15 24 o 65.1664 2.44207 6.98083      0.813343  8.79699      0.823016  66.8421     268.523     19.9047     268.523     
1 1 1 9  15 25 o 57.3168 2.49449 6.10217      0.740989  6.09101      0.734075  51.897      159.575     4.00939     159.575     
1 1 1 9  15 26 o 97.2341 2.44718 16.6404      1.224     18.4111      1.23713   89.1449     231.254     3.2116      231.254     
1 1 1 9  15 27 o 107.61  2.4403  21.8427      1.361     21.1036      1.35766   94.21       290.249     5.45445     110.249     
1 1 1 9  15 28 o 34.6984 3.2241  2.14591      0.532291  2.43644      0.600035  28.1962     116.806     4.31229     116.806     
1 1 1 9  15 29 o 75.4724 2.65094 9.16265      1.00881   12.2062      1.04735   75.2149     268.304     17.3726     268.304     
1 1 1 9  15 30 o 104.698 2.3318  20.2426      1.26581   20.5446      1.26194   117.092     359.789     47.922      359.789     
1 1 1 9  15 31 o 35.9098 3.59773 2.6491       0.563649  2.34372      0.713021  21.9335     255.846     16.4634     75.8455     
1 1 1 9  15 32 o 106.373 2.56897 21.3273      1.40966   21.1037      1.41911   103.95      125.521     19.1201     125.521     
1 1 1 9  15 33 o 32.7485 3.85266 1.84159      0.658008  2.40873      0.585487  25.6964     157.354     2.63101     337.354     
1 1 1 9  15 34 o 11.3431 3.48301 -0.452979    0.436734  0.162337     0.378742  0.0590173   138.292     6.07482     138.292     
1 1 1 9  15 35 o 20.4247 4.56369 0.955404     0.534341  0.700635     0.556908  6.72993     159.318     18.5782     339.318     
1 1 1 9  15 36 o 51.7468 2.94402 5.20086      0.743699  5.05961      0.818665  36.4526     142.157     16.4245     322.157     
1 1 1 9  15 37 o 32.8152 3.41332 2.14643      0.555283  2.10594      0.570873  28.7971     121.055     3.67342     121.055     
1 1 1 9  15 38 o 51.6394 2.84249 4.80627      0.743758  5.46894      0.764585  46.7658     106.919     5.63345     106.919     
1 1 1 9  15 39 o 43.4956 3.30215 3.57946      0.730906  3.87929      0.733726  51.3715     286.799     31.6267     286.799     
1 1 1 9  15 40 o 55.7476 2.83121 5.33874      0.800663  6.73668      0.816982  44.3907     94.9945     5.71376     274.994     
1 1 1 9  15 41 o 13.7037 3.80483 0.574588     0.446177  -0.30544     0.442436  2.79744     82.4138     0.758086    262.414     
1 1 1 9  15 42 o 30.7849 4.07812 1.08618      0.601389  3.13281      0.644601  19.3973     285.287     11.3491     105.287     
1 1 1 9  15 43 o 38.2465 3.62171 2.77858      0.709769  3.29199      0.679785  37.1031     92.4955     11.9135     92.4955     
1 1 1 9  15 44 o 16.6629 4.34952 0.269044     0.514143  0.808125     0.518282  8.63025     345.894     6.11587     165.894     
1 1 1 9  15 45 o 13.5233 4.01408 0.330926     0.479536  0.0753335    0.480532  5.55614     162.153     1.78369     342.153     
1 1 1 9  15 46 o 13.6802 3.96836 0.544155     0.483617  -0.120179    0.469381  4.09629     299.575     0.737081    119.575     
1 1 1 9  15 47 o 13.1481 4.00638 -0.24451     0.492942  0.465262     0.538842  3.67708     220.842     4.98191     40.8422     
1 1 1 9  15 48 o 21.9023 4.44912 1.92829      0.608093  0.381376     0.665124  15.8478     348.733     0.401519    348.733     
1 1 1 9  15 49 o 33.6753 4.68832 3.0802       0.882879  2.61419      0.693285  29.3989     210.494     6.82467     210.494     
1 1 1 9  15 50 o 12.2687 3.91318 -0.425944    0.561383  0.313902     0.53965   1.76564     117.861     3.91372     297.861     
1 1 1 9  15 51 o 15.9954 4.5509  0.481204     0.570788  0.74136      0.591626  2.65959     280.846     0.149355    280.846     
1 1 1 9  15 52 o 14.4592 4.41993 0.346356     0.593769  0.438202     0.620092  4.48626     94.2032     5.6386      274.203     
1 1 1 9  15 53 o 13.5283 4.2416  0.310049     0.596132  0.232725     0.586866  4.10067     204.433     4.11558     24.4333     
1 1 1 9  15 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  16 0  o 5.23039 2.54188 -0.160916    0.2245    -0.160916    0.2245    14.3891     270         29.2494     270         
1 1 1 9  16 1  o 92.2779 2.19069 15.1118      1.04314   16.213       1.04884   111.49      310.525     65.9563     310.525     
1 1 1 9  16 2  o 26.9173 3.09352 1.25408      0.416734  1.48577      0.414791  1.84165     319.841     12.5561     319.841     
1 1 1 9  16 3  o 232.091 2.19151 98.639       2.63123   99.2378      2.64182   252.401     153.803     68.6592     153.803     
1 1 1 9  16 4  o 118.389 2.33655 26.1537      1.4295    25.3925      1.43515   101.422     257.841     15.0978     77.8409     
1 1 1 9  16 5  o 76.9223 2.5958  10.8672      0.968584  10.9385      1.09205   87.1433     320.339     59.4895     320.339     
1 1 1 9  16 6  o 194.141 2.60393 70.2536      2.62229   68.3489      2.61831   199.576     314.424     35.9241     314.424     
1 1 1 9  16 7  o 82.1221 2.72003 11.5858      1.14355   13.3057      1.16274   61.9331     129.701     23.0125     309.701     
1 1 1 9  16 8  o 59.3848 2.87651 6.50034      0.870019  6.53862      0.89015   28.3157     225.181     46.0336     45.1807     
1 1 1 9  16 9  o 61.7344 2.93556 7.83858      0.935074  6.29637      0.924824  17.1133     321.367     75.0069     141.367     
1 1 1 9  16 10 o 21.7348 4.35312 0.624787     0.515615  1.15885      0.533138  19.4151     143.524     61.057      143.524     
1 1 1 9  16 11 o 87.2206 3.09747 12.07        1.36514   16.1782      1.40961   57.0871     284.589     43.4615     104.589     
1 1 1 9  16 12 o 21.5604 4.61975 1.0793       0.53731   0.605157     0.618071  20.1232     211.003     61.9335     211.003     
1 1 1 9  16 13 o 187.808 2.62302 63.6525      2.54693   66.1672      2.55971   180.635     86.9926     12.6234     86.9926     
1 1 1 9  16 14 o 87.756  2.62954 14.5859      1.11759   13.8166      1.26016   54.8137     16.1778     48.287      196.178     
1 1 1 9  16 15 o 140.968 2.38156 37.6706      1.7473    35.454       1.73243   151.053     109.662     44.7521     109.662     
1 1 1 9  16 16 o 52.7146 2.66863 5.6407       0.684682  4.67074      0.75037   10.6644     321.538     68.122      141.538     
1 1 1 9  16 17 o 50.3348 2.47459 4.66247      0.645712  4.71223      0.637469  31.5809     109         14.2974     289         
1 1 1 9  16 18 o 46.4872 2.74205 3.6587       0.652653  4.38286      0.652179  15.7332     40.8629     44.2764     220.863     
1 1 1 9  16 19 o 119.934 2.31956 25.9235      1.4897    27.1064      1.38691   132.975     187.54      49.8777     187.54      
1 1 1 9  16 20 o 34.5768 2.97431 1.91053      0.513699  2.6017       0.519549  11.6176     55.769      28.18       235.769     
1 1 1 9  16 21 o 37.1537 2.79521 2.54455      0.530358  2.61673      0.529677  25.2968     123.377     4.34342     303.377     
1 1 1 9  16 22 o 41.863  2.71673 3.4993       0.58419   3.04648      0.579589  18.7803     283.842     34.2495     103.842     
1 1 1 9  16 23 o 55.9728 2.47341 5.74529      0.714332  5.88409      0.713674  68.4398     301.236     53.3149     301.236     
1 1 1 9  16 24 o 51.5321 2.62009 4.86796      0.678632  5.02269      0.711772  55.6844     228.416     44.9832     228.416     
1 1 1 9  16 25 o 86.3059 2.46791 12.7348      1.0892    14.953       1.11049   87.5976     218.411     21.6106     218.411     
1 1 1 9  16 26 o 18.3849 4.03212 0.624033     0.404711  0.655739     0.443627  0.691439    150.16      19.9742     150.16      
1 1 1 9  16 27 o 36.693  3.485   2.50294      0.558608  2.64825      0.724662  32.5423     269.177     8.3895      269.177     
1 1 1 9  16 28 o 46.502  2.70253 3.8512       0.641914  4.27736      0.648275  40.1016     75.1897     1.23647     75.1898     
1 1 1 9  16 29 f 40.8211 3.2171  3.02332      0.667545  3.33794      0.66927   57.2572     198.232     0           0           
1 1 1 9  16 30 o 50.3815 3.12869 4.91898      0.85074   4.74153      0.765642  18.1752     346.529     51.8314     166.529     
1 1 1 9  16 31 o 10.1545 3.14182 0.1512       0.350036  -0.478929    0.325957  2.41939     150.439     9.55712     150.439     
1 1 1 9  16 32 o 55.8599 2.81833 5.40097      0.80882   6.45588      0.806764  45.717      346.038     5.70293     166.037     
1 1 1 9  16 33 o 39.5401 3.2581  2.54841      0.623644  3.53023      0.679499  39.1059     189.628     11.6216     189.628     
1 1 1 9  16 34 o 25.0674 3.98218 1.62839      0.518388  0.940891     0.502265  10.9779     67.4028     19.0152     247.403     
1 1 1 9  16 35 o 22.0353 3.55907 0.0368227    0.459102  1.91362      0.505353  12.3258     354.635     9.79032     174.635     
1 1 1 9  16 36 o 84.2843 2.73661 14.8762      1.19403   12.3016      1.18297   75.688      339.69      5.60412     339.69      
1 1 1 9  16 37 o 52.213  2.95402 5.81069      0.760128  4.75272      0.810814  44.5086     9.18979     0.255755    9.18969     
1 1 1 9  16 38 o 58.9236 2.94304 7.35117      0.902039  6.138        0.879892  47.5293     345.496     5.1689      165.496     
1 1 1 9  16 39 o 48.436  3.03178 4.69176      0.782945  4.48982      0.723438  45.6732     166.338     10.2929     166.338     
1 1 1 9  16 40 o 44.7043 3.10462 3.74802      0.70994   4.16484      0.708206  43.5181     54.4963     12.9403     54.4963     
1 1 1 9  16 41 o 38.1552 3.4573  3.46944      0.659966  2.48999      0.656503  32.227      151.994     1.75697     151.994     
1 1 1 9  16 42 o 17.7865 4.28126 1.11307      0.535081  0.0566372    0.537925  12.3582     129.417     2.27579     129.417     
1 1 1 9  16 43 o 20.6434 4.02244 1.62171      0.527233  0.192366     0.528995  17.8581     72.3703     7.4943      72.3703     
1 1 1 9  16 44 o 30.5851 4.03011 1.93146      0.606597  2.20354      0.623982  29.5182     199.895     11.3798     199.895     
1 1 1 9  16 45 o 25.3788 4.51026 1.3357       0.592731  1.73379      0.599284  19.194      182.082     0.0386226   2.08174     
1 1 1 9  16 46 o 21.688  4.67786 0.791072     0.592947  1.56219      0.606975  17.2255     248.304     5.86894     248.304     
1 1 1 9  16 47 o 17.5022 4.1902  1.27573      0.542097  0.00457225   0.525396  6.29391     305.086     3.12123     305.086     
1 1 1 9  16 48 o 9.12081 3.1299  -0.956604    0.44532   -0.257857    0.479003  0.112733    108.456     1.70979     108.457     
1 1 1 9  16 49 o 14.2164 4.48109 -0.179893    0.69205   0.541014     0.684222  4.20521     240.792     4.1503      60.7918     
1 1 1 9  16 50 o 13.5132 4.16711 -0.0795041   0.625412  0.438407     0.522258  1.7417      290.206     1.75778     110.206     
1 1 1 9  16 51 o 15.5979 4.51621 0.82942      0.606498  0.288811     0.583123  6.29126     150.656     2.7153      330.656     
1 1 1 9  16 52 f 16.8365 4.69214 0.621678     0.602194  0.946418     0.61353   8.85036     224.134     0           0           
1 1 1 9  16 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  17 0  o 234.905 2.2165  101.313      2.69785   101.313      2.69785   238.565     270         34.991      270         
1 1 1 9  17 1  o 230.365 2.19923 98.6927      2.62879   96.3259      2.62325   235.128     303.412     40.0167     303.412     
1 1 1 9  17 2  o 232.612 2.33049 99.3447      2.69587   99.5561      2.91989   247.308     245.049     60.3844     245.049     
1 1 1 9  17 3  o 98.858  2.33607 18.6832      1.1997    17.2961      1.19012   91.1988     329.736     4.03401     329.736     
1 1 1 9  17 4  o 102.687 2.63581 19.5453      1.403     19.3015      1.39834   94.2776     276.157     2.72709     276.157     
1 1 1 9  17 5  o 96.3088 2.64853 18.1784      1.32537   16.0361      1.31088   68.3302     354.45      38.0779     174.45      
1 1 1 9  17 6  o 55.9063 2.86416 5.86878      0.827352  5.7007       0.821371  33.1334     306.594     27.0914     126.594     
1 1 1 9  17 7  o 72.4868 2.74004 9.55417      1.02187   9.84404      1.02967   79.6271     98.6921     42.8305     98.6921     
1 1 1 9  17 8  o 128.285 2.61919 30.6453      1.7415    29.9716      1.73812   153.613     163.348     75.3352     163.348     
1 1 1 9  17 9  o 105.688 2.65939 20.1541      1.45097   21.0192      1.45789   106.858     21.1748     23.9834     21.1748     
1 1 1 9  17 10 o 108.068 2.65566 21.6381      1.48388   21.4096      1.48684   101.612     190.82      8.39314     190.82      
1 1 1 9  17 11 o 100.769 3.00133 16.6864      1.53724   20.9399      1.58025   70.738      61.4785     40.5953     241.479     
1 1 1 9  17 12 o 94.7281 2.87653 16.2849      1.32424   16.8599      1.49158   88.5292     319.446     9.09433     319.446     
1 1 1 9  17 13 o 126.68  2.64511 29.7319      1.72874   29.4482      1.74121   136.543     9.94771     44.7238     9.94771     
1 1 1 9  17 14 o 121.077 2.66631 27.0278      1.67015   27.0604      1.67259   98.1119     115.703     23.5265     295.703     
1 1 1 9  17 15 o 171.962 2.6429  55.949       2.36083   53.1071      2.34989   165.366     286.313     15.6263     286.313     
1 1 1 9  17 16 o 15.6221 4.12292 -0.185961    0.477438  0.668004     0.507919  30.2319     124.053     76.1529     124.053     
1 1 1 9  17 17 o 52.1638 2.92717 4.54873      0.746218  5.60109      0.823378  32.4391     349.508     23.2416     169.508     
1 1 1 9  17 18 o 41.411  3.13714 3.1194       0.620291  3.30704      0.704675  14.7619     72.7867     39.6937     252.787     
1 1 1 9  17 19 o 22.7102 3.70769 1.10993      0.476418  0.89386      0.379872  1.6172      101.376     25.1904     281.376     
1 1 1 9  17 20 o 29.5367 3.14861 1.37584      0.46478   1.95981      0.456145  13.4572     81.3979     17.9314     261.398     
1 1 1 9  17 21 o 64.2337 2.51329 8.0652       0.790531  7.25738      0.868376  56.8457     351.58      0.801971    351.58      
1 1 1 9  17 22 o 51.0998 2.94183 5.06741      0.677871  4.70552      0.848003  49.5936     276.013     13.0057     276.013     
1 1 1 9  17 23 o 54.1682 2.59625 5.67557      0.712907  5.26405      0.734527  50.35       229.611     7.9883      229.611     
1 1 1 9  17 24 o 14.3548 3.82526 0.121299     0.44863   0.396514     0.352088  2.52348     217.746     10.9824     217.746     
1 1 1 9  17 25 o 55.6728 2.72243 5.77233      0.834715  5.82935      0.72158   47.0149     25.3036     2.26416     205.304     
1 1 1 9  17 26 o 66.1136 2.47781 7.21663      0.835359  9.15224      0.848918  59.2657     183.977     2.75854     183.977     
1 1 1 9  17 27 o 69.2065 2.41158 8.67616      0.856988  9.21232      0.867617  73.4178     71.0539     26.031      71.0539     
1 1 1 9  17 28 o 60.3073 2.49667 6.87686      0.778455  6.75803      0.775652  56.221      188.728     7.4255      188.728     
1 1 1 9  17 29 o 31.3987 3.38147 1.65126      0.529529  2.19727      0.5271    23.0049     317.065     5.35858     137.065     
1 1 1 9  17 30 o 14.4273 3.32909 0.800557     0.376725  -0.655745    0.422492  2.73443     113.935     9.55644     293.935     
1 1 1 9  17 31 o 65.587  2.79698 8.11864      0.953352  8.1784       0.939491  64.2159     151.205     14.3471     151.205     
1 1 1 9  17 32 o 54.5636 2.99729 5.86589      0.85333   5.51397      0.828817  60.211      36.368      27.024      36.368      
1 1 1 9  17 33 o 58.6215 2.70067 6.84938      0.837962  6.22312      0.794488  61.7765     259.894     22.9939     259.894     
1 1 1 9  17 34 o 11.326  3.48606 0.0272435    0.389764  -0.0824879   0.377504  0.541421    256.263     4.68181     76.2633     
1 1 1 9  17 35 o 30.373  3.52582 1.54699      0.516108  2.16104      0.55056   30.0019     39.2841     12.1936     39.2841     
1 1 1 9  17 36 f 106.121 2.45284 21.0548      1.35073   21.7284      1.34378   69.8102     59.6849     0           0           
1 1 1 9  17 37 o 14.9264 4.21142 0.328621     0.484026  0.275913     0.49873   5.08102     137.779     7.23645     317.779     
1 1 1 9  17 38 o 10.0125 3.27929 -0.0151066   0.427863  -0.803524    0.41999   1.58359     199.626     12.1485     199.626     
1 1 1 9  17 39 o 17.3454 4.27028 0.267357     0.509051  0.866373     0.487968  10.4952     125.388     1.15524     305.388     
1 1 1 9  17 40 o 22.1905 4.28289 1.62309      0.572496  0.565483     0.509192  17.4789     285.595     2.1168      285.595     
1 1 1 9  17 41 o 13.3422 3.96018 0.314337     0.469037  0.00372571   0.470093  4.93373     125.628     1.51428     305.628     
1 1 1 9  17 42 o 23.7555 4.55659 1.55215      0.581795  1.07843      0.58455   17.385      5.79339     1.69049     185.793     
1 1 1 9  17 43 o 13.7024 4.03874 0.326401     0.479142  0.152522     0.477541  3.55596     61.1803     10.6488     241.18      
1 1 1 9  17 44 o 28.7071 4.23733 1.87547      0.608645  1.91511      0.611645  27.671      275.67      12.5295     275.67      
1 1 1 9  17 45 o 15.7792 4.37696 0.270077     0.534749  0.72545      0.537059  7.2873      179.306     4.30483     359.306     
1 1 1 9  17 46 o 21.7006 4.17451 0.279784     0.56071   1.99614      0.595938  15.5957     103.915     0.197445    103.915     
1 1 1 9  17 47 o 18.5951 4.63704 1.03861      0.558314  0.746169     0.567002  11.9542     133.554     3.73298     133.554     
1 1 1 9  17 48 o 28.37   4.64383 2.06337      0.670556  2.0554       0.668271  24.7956     21.6329     8.72793     21.6329     
1 1 1 9  17 49 o 10.2237 3.5061  -0.740389    0.507079  -0.33541     0.621611  0.61769     222.461     6.11413     222.461     
1 1 1 9  17 50 o 27.7171 5.43429 2.09652      0.832383  2.50461      0.798412  25.2687     0.692379    13.7184     0.692379    
1 1 1 9  17 51 o 10.252  3.46585 0.06399      0.554754  -0.925167    0.487274  0.176853    295.32      1.25484     115.32      
1 1 1 9  17 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  18 0  o 90.8296 2.22555 15.1982      1.04498   15.1982      1.04498   60.6061     90          48.209      270         
1 1 1 9  18 1  o 64.1776 2.28474 7.52079      0.761072  7.6656       0.754026  35.756      306.129     38.9088     126.129     
1 1 1 9  18 2  o 202.962 2.37374 75.8224      2.49751   75.7258      2.49716   217.488     26.0874     60.7598     26.0874     
1 1 1 9  18 3  f 40.6377 3.30027 3.27794      0.678118  2.90311      0.684129  38.7379     241.724     0           0           
1 1 1 9  18 4  o 53.4867 3.01124 5.39661      0.824071  5.22024      0.831554  38.8786     86.3498     4.58291     266.35      
1 1 1 9  18 5  o 46.8816 3.12911 3.545        0.740211  4.676        0.751465  29.2727     126.417     5.51554     126.417     
1 1 1 9  18 6  o 162.431 2.61686 48.6681      2.20357   48.5134      2.2031    154.783     331.447     12.0314     331.447     
1 1 1 9  18 7  o 157.835 2.59389 45.9599      2.1169    45.805       2.12744   164.545     112.758     41.1244     112.758     
1 1 1 9  18 8  o 27.7333 4.12324 2.02346      0.576625  0.985103     0.580382  0.044721    10.1706     4.74255     10.1706     
1 1 1 9  18 9  o 44.6316 3.23436 3.38804      0.725456  4.06465      0.746338  27.6618     267.781     0.981262    87.7809     
1 1 1 9  18 10 o 60.3061 2.93986 6.32909      0.908919  7.17292      0.915311  55.0823     93.6355     13.9485     93.6355     
1 1 1 9  18 11 o 67.6224 3.28773 7.13658      1.11904   9.97975      1.15083   57.9812     138.279     0.728325    138.279     
1 1 1 9  18 12 o 37.9126 4.08037 3.67303      0.69445   1.92329      0.776188  14.305      340.937     27.9343     160.937     
1 1 1 9  18 13 o 124.375 2.6588  29.1692      1.7114    27.9908      1.71238   131.506     50.4745     38.3561     50.4745     
1 1 1 9  18 14 o 157.504 2.65997 46.0947      2.1652    45.5301      2.17804   157.984     301.805     28.9394     301.805     
1 1 1 9  18 15 o 46.3861 3.23466 3.65882      0.755809  4.41706      0.775228  7.76464     148.542     97.0074     148.542     
1 1 1 9  18 16 o 48.9457 3.18539 4.8622       0.796115  4.12026      0.797084  14.3348     328.22      57.298      148.22      
1 1 1 9  18 17 o 53.6794 3.21786 4.19827      0.800995  6.73874      0.965228  57.7647     265.122     25.8121     265.122     
1 1 1 9  18 18 o 37.9722 4.26428 3.37945      0.819404  2.22764      0.785286  23.8949     231.444     14.3024     51.4444     
1 1 1 9  18 19 o 64.953  2.97489 7.95345      0.989789  7.79733      1.0024    77.8798     168.68      45.2768     168.68      
1 1 1 9  18 20 o 54.1336 2.68879 5.25125      0.743994  5.684        0.754837  44.6225     80.3898     4.07218     260.39      
1 1 1 9  18 21 o 44.4166 2.63077 2.89783      0.579573  4.57387      0.598391  37.2098     78.6577     0.566414    78.6576     
1 1 1 9  18 22 o 75.8821 2.48815 11.4513      0.979782  10.0004      0.969425  73.7541     115.966     14.0708     115.966     
1 1 1 9  18 23 o 20.7104 3.78133 0.995351     0.417055  0.691428     0.406981  5.94334     339.609     10.8252     159.609     
1 1 1 9  18 24 o 68.2302 2.42969 9.31477      0.86026   8.0751       0.85009   48.9072     232.023     22.2634     52.0231     
1 1 1 9  18 25 o 35.4805 2.88887 2.41983      0.520714  2.3624       0.522424  26.3407     270.902     5.8762      90.9022     
1 1 1 9  18 26 o 29.666  3.24666 1.63396      0.489382  1.77001      0.475545  21.3066     296.984     4.80706     116.984     
1 1 1 9  18 27 o 35.6431 3.11793 2.84126      0.605965  2.06804      0.520593  36.1768     230.982     14.9914     230.982     
1 1 1 9  18 28 o 73.7982 2.42074 10.0106      0.921139  10.4285      0.925655  76.6796     332.236     24.6186     332.236     
1 1 1 9  18 29 o 15.4247 3.81277 0.302515     0.380614  0.525801     0.380057  5.69466     354.759     5.59287     174.759     
1 1 1 9  18 30 f 19.2637 3.90176 1.02093      0.43945   0.455649     0.411113  8.42668     121.366     0           0           
1 1 1 9  18 31 o 14.1861 3.93279 0.43737      0.423691  0.00067816   0.454458  3.95802     256.569     3.38329     76.5689     
1 1 1 9  18 32 o 49.5148 3.44233 5.29824      0.879266  4.30683      0.858254  41.3122     0.49097     1.72716     180.491     
1 1 1 9  18 33 o 50.6953 2.86795 4.55564      0.759149  5.34544      0.727718  35.7288     302.203     14.9652     122.203     
1 1 1 9  18 34 o 14.3382 3.90926 0.0475256    0.435736  0.486152     0.420854  3.40801     117.27      1.31297     297.27      
1 1 1 9  18 35 o 35.4055 3.50526 2.26506      0.630226  2.75858      0.61226   33.2264     157.747     8.9411      157.747     
1 1 1 9  18 36 o 35.0889 3.66632 1.9563       0.643743  3.07734      0.610198  30.5843     129.345     4.06998     129.345     
1 1 1 9  18 37 o 28.9243 4.25598 3.1143       0.746434  0.734102     0.563586  23.5774     215.384     1.37696     215.384     
1 1 1 9  18 38 o 16.0202 4.15621 1.088        0.606905  -0.475877    0.472697  5.67222     210.341     1.92087     210.341     
1 1 1 9  18 39 o 14.9453 4.07702 0.671564     0.481838  -0.0736456   0.488815  4.06804     4.56183     12.8198     184.562     
1 1 1 9  18 40 o 11.4882 3.52121 -0.556625    0.42861   0.309135     0.42399   2.58152     2.82802     2.9028      182.828     
1 1 1 9  18 41 o 31.6314 4.33654 2.06792      0.717333  2.44033      0.647772  32.3517     153.396     15.6592     153.396     
1 1 1 9  18 42 o 15.153  4.35976 0.462282     0.561019  0.325562     0.51411   7.30255     145.688     1.7645      325.688     
1 1 1 9  18 43 o 28.6968 4.35904 2.54102      0.666503  1.38486      0.606321  20.2169     115.726     3.95144     295.726     
1 1 1 9  18 44 o 21.3792 4.66279 1.36253      0.581799  0.945734     0.570091  15.5603     173.715     1.51065     173.715     
1 1 1 9  18 45 o 17.737  4.52037 1.05689      0.557094  0.454162     0.550899  9.69415     347.53      3.95635     347.53      
1 1 1 9  18 46 o 14.9078 4.27904 0.297021     0.52301   0.599683     0.522411  5.88652     2.58847     1.69435     182.588     
1 1 1 9  18 47 o 15.5609 4.47521 0.696214     0.584459  0.378487     0.555914  5.81901     222.149     4.18729     42.1488     
1 1 1 9  18 48 o 13.1989 4.17322 -0.253846    0.602892  0.425826     0.602648  1.63459     175.462     1.9434      355.462     
1 1 1 9  18 49 o 11.6509 3.7681  -0.122588    0.504608  0.0720177    0.517452  0.961462    79.5506     2.55687     259.551     
1 1 1 9  18 50 o 25.8576 5.55889 1.7306       0.69071   2.58441      0.932883  21.6879     303.032     7.95266     303.032     
1 1 1 9  18 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  19 0  f 379.132 2.51461 264.237      4.94091   264.237      4.94091   267.307     90          0           0           
1 1 1 9  19 1  o 119.705 2.35078 27.9591      1.4634    24.9035      1.44821   146.815     350.694     80.6376     350.694     
1 1 1 9  19 2  o 40.3788 3.24162 2.91903      0.657134  3.19134      0.675432  9.46608     179.492     45.04       359.492     
1 1 1 9  19 3  o 79.5303 2.7337  11.9955      1.12415   11.4024      1.12252   49.0979     217.001     42.9509     37.0008     
1 1 1 9  19 4  f 89.3564 2.69338 13.9101      1.23548   15.6289      1.25148   56.4572     172.687     0           0           
1 1 1 9  19 5  o 171.889 2.63208 56.242       2.34941   52.7897      2.33949   163.09      231.113     12.3357     231.113     
1 1 1 9  19 6  o 46.7353 3.08796 4.08613      0.742798  4.06239      0.736039  26.2086     336.423     23.8657     156.423     
1 1 1 9  19 7  o 46.5739 3.16919 4.291        0.754868  3.81905      0.754173  6.61441     289.018     66.3488     109.018     
1 1 1 9  19 8  o 60.9255 2.93927 7.35618      0.926204  6.44957      0.916557  48.0616     64.1731     8.60764     244.173     
1 1 1 9  19 9  o 56.2482 3.03204 6.27         0.874689  5.52176      0.876909  57.9623     328.457     24.2624     328.457     
1 1 1 9  19 10 o 74.468  2.9667  10.4933      1.206     10.1063      1.07323   65.7042     40.3179     0.17195     220.319     
1 1 1 9  19 11 o 68.951  3.23258 9.14489      1.14585   8.58485      1.15071   55.2212     37.0963     11.5335     217.096     
1 1 1 9  19 12 f 89.7553 2.74511 16.4428      1.27822   13.5031      1.26199   67.293      63.0146     0           0           
1 1 1 9  19 13 o 70.5355 2.88512 10.2394      1.05365   8.31706      1.03943   50.2998     320.786     24.8103     140.786     
1 1 1 9  19 14 o 94.0173 2.74755 16.1279      1.32151   16.6889      1.35078   91.4652     80.7094     14.7694     80.7094     
1 1 1 9  19 15 o 92.371  2.7592  17.4666      1.3239    14.3159      1.30413   93.6052     170.831     22.5739     170.831     
1 1 1 9  19 16 o 17.7388 4.07346 -0.0753897   0.469844  1.03402      0.51728   14.7877     287.852     54.439      287.852     
1 1 1 9  19 17 o 63.9926 3.13784 6.8267       0.956279  8.57098      1.11442   47.7888     195.797     16.66       15.7966     
1 1 1 9  19 18 f 16.7045 4.63189 0.341859     0.574356  0.334567     0.594726  23.9516     122.391     0           0           
1 1 1 9  19 19 o 22.1766 4.50159 0.773047     0.540303  1.1527       0.559856  6.80115     82.5262     5.92584     262.526     
1 1 1 9  19 20 o 23.9562 4.50333 1.59608      0.581473  0.6467       0.620994  3.3705      184.028     29.2009     4.02818     
1 1 1 9  19 21 o 31.0244 4.00666 1.9463       0.536201  1.82172      0.693984  25.8121     124.305     8.63991     124.305     
1 1 1 9  19 22 o 92.9299 2.59404 16.1587      1.17085   16.1327      1.31846   97.9508     75.3074     32.0234     75.3074     
1 1 1 9  19 23 o 35.3927 2.95151 2.38698      0.539741  2.38398      0.522241  16.2554     126.517     27.3262     306.517     
1 1 1 9  19 24 o 77.4688 2.36506 10.924       0.947596  11.5213      0.946829  77.7856     76.358      19.9418     76.358      
1 1 1 9  19 25 o 40.2088 2.74398 3.44697      0.57119   2.71053      0.553236  42.2382     59.1946     18.0513     59.1946     
1 1 1 9  19 26 o 42.9607 2.84179 3.64961      0.609993  3.37547      0.638324  43.8379     99.4299     15.3805     99.4299     
1 1 1 9  19 27 o 62.1484 2.54059 6.52059      0.813706  8.07243      0.807798  55.1205     352.156     2.43309     352.156     
1 1 1 9  19 28 o 25.0759 3.66197 1.14465      0.46777   1.36645      0.45245   19.675      45.4748     0.236683    45.4747     
1 1 1 9  19 29 o 55.1772 2.69717 6.32465      0.772078  5.26923      0.757237  52.8992     63.1457     11.3535     63.1457     
1 1 1 9  19 30 o 33.3308 3.34337 1.93136      0.559675  2.44481      0.554884  22.9719     3.32908     9.43632     183.329     
1 1 1 9  19 31 o 44.428  3.05895 3.58541      0.697542  4.07402      0.690108  40.1173     2.30335     5.57268     2.30335     
1 1 1 9  19 32 o 16.5163 4.23138 0.153119     0.443332  0.788486     0.528967  7.71837     174.189     4.72716     354.189     
1 1 1 9  19 33 o 36.582  3.89522 2.74657      0.716767  2.69233      0.714672  33.4616     54.6925     7.26004     54.6924     
1 1 1 9  19 34 o 22.2124 4.29631 1.18013      0.530517  0.917897     0.490178  14.6034     76.1912     4.04262     256.191     
1 1 1 9  19 35 o 17.1941 3.79039 -0.139376    0.476064  1.07616      0.446846  8.49226     136.152     6.81806     316.152     
1 1 1 9  19 36 o 17.2018 4.28537 0.626371     0.513914  0.559046     0.43627   8.44398     148.054     7.10487     328.054     
1 1 1 9  19 37 o 30.0971 4.3227  1.64148      0.677074  2.31379      0.622262  30.3658     188.582     14.3032     188.582     
1 1 1 9  19 38 o 33.8126 4.26487 1.62049      0.733469  3.47967      0.647419  27.4787     101.004     0.53852     101.004     
1 1 1 9  19 39 o 15.335  4.32899 0.687577     0.555009  0.0125646    0.533779  8.10874     339.95      1.62146     339.95      
1 1 1 9  19 40 o 25.88   4.67388 1.74184      0.623829  1.43082      0.640379  16.9952     217.137     6.11972     37.1365     
1 1 1 9  19 41 o 42.0564 3.8406  4.24013      0.856516  3.51225      0.778709  38.8938     323.932     10.5507     323.933     
1 1 1 9  19 42 o 15.4803 3.89694 1.22477      0.567362  -0.785704    0.47197   5.2548      267.535     9.8969      87.5347     
1 1 1 9  19 43 o 16.2999 4.54842 0.461215     0.62586   0.674624     0.528052  8.49885     346.952     1.43683     166.952     
1 1 1 9  19 44 o 12.2177 3.8357  0.500232     0.558723  -0.726143    0.489756  1.59822     111.043     1.18806     291.043     
1 1 1 9  19 45 o 20.6066 4.58226 1.75233      0.638781  0.478319     0.569849  13.2502     316.464     1.2378      136.464     
1 1 1 9  19 46 o 29.7392 4.62807 1.84952      0.66895   2.71074      0.726994  28.1949     253.629     15.3987     253.629     
1 1 1 9  19 47 o 17.9205 4.77247 1.12612      0.655874  0.626754     0.559103  9.32689     285.101     1.70752     105.101     
1 1 1 9  19 48 o 16.6966 4.7312  0.630254     0.639693  0.854769     0.61474   7.98291     289.147     3.01888     109.147     
1 1 1 9  19 49 o 11.6699 3.79626 -0.492631    0.5486    0.253939     0.544271  1.9654      188.525     5.70815     8.52525     
1 1 1 9  19 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  20 0  o 121.323 2.35238 27.1302      1.47687   27.1302      1.47687   139.954     90          58.0061     90          
1 1 1 9  20 1  o 31.6109 3.66152 1.91372      0.571333  1.90266      0.586946  15.4262     278.479     6.93648     278.479     
1 1 1 9  20 2  o 21.6766 3.96714 0.432299     0.468777  1.38011      0.491079  2.38984     261.854     20.6767     81.8541     
1 1 1 9  20 3  o 85.8506 2.74248 14.3477      1.22128   12.9999      1.21145   74.8106     203.436     3.96017     23.4357     
1 1 1 9  20 4  o 41.0717 3.38952 2.70472      0.687335  3.69078      0.717495  25.6009     267.264     17.4191     87.2636     
1 1 1 9  20 5  o 29.5525 3.8634  1.85884      0.567443  1.51177      0.57054   3.80012     343.609     39.8284     163.609     
1 1 1 9  20 6  o 61.3048 2.91624 6.41432      0.903133  7.60852      0.936755  48.2521     319.919     10.9192     139.919     
1 1 1 9  20 7  o 40.7256 3.33359 2.75117      0.678746  3.52605      0.69463   38.4101     311.899     14.6576     311.899     
1 1 1 9  20 8  o 93.0839 2.71932 17.1618      1.31052   15.0286      1.30393   80.5434     213.093     5.49914     33.093      
1 1 1 9  20 9  o 138.944 2.64349 38.3227      1.90988   33.3268      1.88879   155.397     236.921     60.6491     236.921     
1 1 1 9  20 10 o 151.891 2.81908 43.1762      2.33616   42.4908      2.09562   159.861     232.065     45.9009     232.065     
1 1 1 9  20 11 o 74.8717 3.18488 10.9629      1.23683   10.0142      1.22246   73.7123     208.034     15.8695     208.034     
1 1 1 9  20 12 o 45.4503 3.22301 3.79337      0.739332  3.99011      0.758839  48.5746     25.795      33.4504     25.795      
1 1 1 9  20 13 o 40.7843 3.38409 2.89921      0.694316  3.41589      0.705744  25.4117     90.1199     17.0872     270.12      
1 1 1 9  20 14 f 47.66   3.27296 3.99257      0.79327   4.59248      0.800486  48.181      349.921     0           0           
1 1 1 9  20 15 o 70.593  3.08809 9.21681      1.18502   9.47876      1.05765   53.533      307.047     16.9853     127.047     
1 1 1 9  20 16 o 128.62  2.69444 30.4529      1.78766   31.2133      1.80114   132.572     216.296     35.9466     216.296     
1 1 1 9  20 17 o 53.2602 3.58067 5.93244      0.969749  4.89322      0.974462  45.7901     214.743     0.363802    214.743     
1 1 1 9  20 18 f 62.0349 3.20175 7.46965      1.08388   7.08399      0.959725  73.8308     253.892     0           0           
1 1 1 9  20 19 o 62.1785 3.16275 7.13398      0.962526  7.5026       1.062     52.9116     274.798     2.32949     94.7976     
1 1 1 9  20 20 f 45.9454 3.64268 4.21626      0.840898  3.91827      0.861945  24.3533     287.408     0           0           
1 1 1 9  20 21 o 65.1488 3.13118 7.66712      1.07449   8.45966      1.02178   56.4711     13.5371     0.518172    193.537     
1 1 1 9  20 22 o 69.9944 3.0125  9.89959      1.09601   8.70464      1.07711   61.8757     152.255     1.70725     152.255     
1 1 1 9  20 23 o 14.1659 4.09441 -0.0590186   0.482503  0.3559       0.493768  1.91482     195.291     10.0526     15.2908     
1 1 1 9  20 24 o 82.7414 2.50486 12.1645      1.00929   13.5839      1.13514   85.1308     205.169     26.1052     205.169     
1 1 1 9  20 25 o 25.4768 3.51398 1.09041      0.448465  1.48999      0.444494  19.0738     31.8145     2.14139     211.814     
1 1 1 9  20 26 o 15.5058 3.53648 0.10126      0.367424  0.710156     0.347913  5.16226     351.162     0.392474    171.162     
1 1 1 9  20 27 o 31.8473 3.31748 1.64717      0.527441  2.35433      0.518091  27.4911     140.492     3.06593     140.492     
1 1 1 9  20 28 o 36.2759 3.21061 2.88698      0.599027  2.26539      0.576336  24.2472     48.8852     12.196      228.885     
1 1 1 9  20 29 o 45.9961 2.79527 3.92088      0.661713  4.20838      0.657321  45.6781     175.375     14.3502     175.375     
1 1 1 9  20 30 o 32.9135 3.63027 1.60225      0.595143  2.80512      0.557018  23.2479     125.129     7.48424     305.129     
1 1 1 9  20 31 o 18.8687 4.09817 1.09233      0.492103  0.343202     0.442406  10.9872     136.339     3.99385     316.339     
1 1 1 9  20 32 o 20.371  4.03107 0.519751     0.485186  1.18385      0.450714  14.5464     148.843     1.24636     148.843     
1 1 1 9  20 33 f 31.5179 3.96652 1.66483      0.648752  2.47918      0.575329  16.4382     246.697     0           0           
1 1 1 9  20 34 o 22.4616 4.67745 1.66585      0.653289  0.557025     0.592881  14.058      204.697     5.99702     24.6971     
1 1 1 9  20 35 o 41.79   3.59452 3.86614      0.856324  3.30683      0.665662  49.8349     127.843     33.0595     127.843     
1 1 1 9  20 36 o 19.4676 4.41449 1.16122      0.543771  0.489031     0.510111  14.6853     271.872     3.01239     271.872     
1 1 1 9  20 37 o 59.8385 3.10102 7.24692      1.02787   7.22841      0.873148  60.5415     24.5303     22.4971     24.5303     
1 1 1 9  20 38 f 23.3773 4.55285 1.30239      0.611016  1.25172      0.529089  18.7278     268.8       0           0           
1 1 1 9  20 39 o 18.8971 4.79221 0.98956      0.69645   0.715227     0.49721   12.9639     188.594     2.16749     188.594     
1 1 1 9  20 40 o 24.7829 5.32991 1.33956      0.762451  1.91996      0.755977  15.8508     105.116     5.24597     285.116     
1 1 1 9  20 41 o 13.9323 4.24522 -0.149825    0.57423   0.504043     0.579071  4.75037     351.794     2.95514     171.794     
1 1 1 9  20 42 o 35.806  4.47433 2.47994      0.787757  3.71529      0.793223  39.779      77.2315     26.3843     77.2315     
1 1 1 9  20 43 o 15.5898 4.43097 0.545204     0.58701   0.517726     0.509732  6.6511      349.589     4.90638     169.589     
1 1 1 9  20 44 o 16.543  4.25046 -0.0241435   0.577233  1.10319      0.525788  7.62804     63.3286     0.77867     243.329     
1 1 1 9  20 45 o 16.074  4.28069 1.27908      0.620295  -0.308443    0.521796  5.98184     237.097     0.986963    57.097      
1 1 1 9  20 46 o 13.3984 4.12046 0.0587733    0.540449  0.415069     0.54124   3.09238     347.448     5.5809      167.448     
1 1 1 9  20 47 o 18.5521 4.90994 1.44403      0.681045  0.531593     0.673498  8.76491     264.071     7.06456     84.0708     
1 1 1 9  20 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  21 0  o 152.691 2.90426 43.1293      2.29493   43.1293      2.29493   182.626     90          88.9169     90          
1 1 1 9  21 1  o 38.9005 4.4202  3.16807      0.663911  2.69166      0.993369  20.9528     87.7537     22.45       267.754     
1 1 1 9  21 2  o 61.3566 3.80238 8.93505      0.947473  5.49752      1.26807   32.2994     169.313     43.1142     349.313     
1 1 1 9  21 3  o 48.8328 3.31562 4.48903      0.764147  4.49631      0.888124  30.9765     117.875     21.651      297.875     
1 1 1 9  21 4  o 77.24   2.76354 10.0476      1.08176   12.2234      1.11905   72.109      202.779     8.35596     202.779     
1 1 1 9  21 5  o 57.1752 3.20647 5.8573       0.9904    6.42507      0.883657  60.9925     279.009     25.6847     279.009     
1 1 1 9  21 6  o 81.9155 3.27903 12.4413      1.56065   12.7158      1.17796   90.7493     296.688     38.1793     296.688     
1 1 1 9  21 7  o 124.391 3.16836 27.9723      2.27229   29.9043      1.7497    134.285     200.742     46.871      200.742     
1 1 1 9  21 8  o 30.1171 4.23686 1.88801      0.685951  1.66778      0.590832  7.74946     17.2091     32.3967     197.209     
1 1 1 9  21 9  o 54.3118 3.0405  4.7251       0.827137  6.41872      0.858822  51.5233     232.053     10.9609     232.053     
1 1 1 9  21 10 o 56.5674 3.2427  5.43915      0.975482  6.65173      0.888995  43.7165     84.7119     10.1858     264.712     
1 1 1 9  21 11 o 34.338  4.18289 2.07731      0.704414  2.53404      0.728939  25.5401     206.42      2.29721     26.4197     
1 1 1 9  21 12 o 79.8642 2.80678 11.6952      1.15124   12.1699      1.16528   71.9834     168.646     3.64651     168.646     
1 1 1 9  21 13 f 31.2736 4.00215 1.92246      0.612077  1.90498      0.637466  38.0487     289.803     0           0           
1 1 1 9  21 14 o 51.2767 3.13565 4.95706      0.81414   4.99646      0.836301  53.9096     218.641     21.6787     218.641     
1 1 1 9  21 15 o 18.4813 4.22739 1.02895      0.507825  0.111128     0.518618  3.98534     333.995     3.1465      153.995     
1 1 1 9  21 16 o 25.753  4.2957  0.89357      0.564986  1.79234      0.589161  13.8769     48.7055     11.6115     228.706     
1 1 1 9  21 17 o 54.4643 3.6985  6.78159      1.02655   4.73228      1.0081    41.7659     331.396     10.5393     151.396     
1 1 1 9  21 18 o 25.0531 4.95385 1.57508      0.713144  1.00445      0.636779  18.6416     180.949     3.11456     180.949     
1 1 1 9  21 19 o 57.4098 3.37176 6.04039      0.975378  6.60595      1.01309   51.2014     15.0483     3.38361     15.0482     
1 1 1 9  21 20 o 48.4956 3.33086 4.36989      0.819801  4.67523      0.833355  36.1872     55.2158     10.8519     235.216     
1 1 1 9  21 21 o 46.0664 3.36414 4.54415      0.793168  3.65863      0.782552  51.8246     283.328     26.4845     283.328     
1 1 1 9  21 22 f 78.7858 2.94667 12.4108      1.19678   11.1838      1.19862   57.7727     282.721     0           0           
1 1 1 9  21 23 o 18.3502 4.56164 0.837157     0.546307  0.347151     0.564053  8.65551     3.60799     2.57082     3.60798     
1 1 1 9  21 24 o 11.8198 3.71055 0.156427     0.485142  -0.647902    0.479104  0.834584    95.0364     6.29087     275.036     
1 1 1 9  21 25 o 37.8019 3.85526 2.9294       0.724967  2.76578      0.740932  31.8748     146.075     0.975296    146.075     
1 1 1 9  21 26 o 5.54069 1.89511 -0.557374    0.236402  -0.106244    0.115512  0.475796    38.857      1.15298     38.857      
1 1 1 9  21 27 o 47.9959 2.86405 4.19839      0.709536  4.67749      0.699651  44.1282     316.13      7.67691     316.13      
1 1 1 9  21 28 o 20.5219 3.90471 1.2298       0.462194  0.514605     0.425339  13.7696     197.434     1.61404     17.4344     
1 1 1 9  21 29 o 27.2159 3.6895  1.31698      0.507704  1.70773      0.492543  24.3698     36.1442     7.17728     36.1442     
1 1 1 9  21 30 o 50.067  3.01098 5.20379      0.786203  4.58466      0.760653  51.4056     268.517     19.8038     268.517     
1 1 1 9  21 31 o 25.9076 4.05215 1.2111       0.52739   1.62409      0.535066  20.9058     318.925     1.99994     318.925     
1 1 1 9  21 32 o 17.8743 4.22622 0.732077     0.482937  0.589324     0.438161  11.3125     244.484     3.50543     244.484     
1 1 1 9  21 33 o 27.1797 4.13074 1.30488      0.580149  1.88502      0.552509  25.6315     222.681     9.96965     222.681     
1 1 1 9  21 34 o 53.3566 3.09973 5.95478      0.917558  5.4542       0.780115  50.8102     117.406     13.7013     117.406     
1 1 1 9  21 35 o 18.265  4.63391 0.656743     0.566433  0.792778     0.552418  12.512      336.784     0.526811    336.784     
1 1 1 9  21 36 f 15.3375 4.50868 0.846253     0.728577  -0.120017    0.470797  10.9404     198.454     0           0           
1 1 1 9  21 37 o 33.9066 3.84233 2.97037      0.692764  2.07027      0.609069  28.475      171.908     3.42066     171.908     
1 1 1 9  21 38 o 21.701  4.64804 1.55537      0.615119  0.760479     0.565212  16.0895     265.956     2.14879     265.956     
1 1 1 9  21 39 o 16.4054 4.25374 0.125575     0.547892  0.917608     0.497335  8.06051     295.569     1.40431     295.569     
1 1 1 9  21 40 o 17.516  4.75188 0.824322     0.642103  0.657598     0.567493  10.3201     237.413     0.0966546   237.412     
1 1 1 9  21 41 o 21.0622 5.1933  2.01117      0.82082   0.459303     0.704182  12.9209     65.0229     3.66942     245.023     
1 1 1 9  21 42 o 11.8092 3.81155 0.0409956    0.520655  -0.151993    0.519148  1.10411     254.555     7.61664     74.5546     
1 1 1 9  21 43 o 10.0656 3.31986 -1.05428     0.508296  0.106722     0.433185  0.441849    346.465     4.01995     346.465     
1 1 1 9  21 44 o 23.706  4.7511  2.27935      0.710195  0.845108     0.603956  18.3877     195.89      5.88009     195.89      
1 1 1 9  21 45 o 19.0406 4.55033 0.346244     0.638865  1.51532      0.590848  11.6366     271.914     8.20618e-05 91.9147     
1 1 1 9  21 46 f 16.9582 4.75867 0.807856     0.663541  0.777356     0.586228  10.4457     189.015     0           0           
1 1 1 9  21 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  22 0  o 55.7314 4.23502 5.99811      1.1878    5.99811      1.1878    79.3145     270         60.4029     270         
1 1 1 9  22 1  o 68.0947 2.97215 9.42664      1.12413   8.00827      0.965507  69.5022     283.864     21.2074     283.864     
1 1 1 9  22 2  o 32.5688 3.55576 1.97998      0.571558  2.10774      0.59043   26.7858     209.552     5.80173     209.552     
1 1 1 9  22 3  o 35.2145 3.43265 2.18247      0.600116  2.57662      0.61732   31.9195     172.994     11.1822     172.994     
1 1 1 9  22 4  o 52.7122 3.00051 4.98975      0.80889   5.48271      0.815741  34.9119     102.706     21.0249     282.706     
1 1 1 9  22 5  o 52.0682 3.01654 4.97939      0.803988  5.24397      0.809758  57.4246     106.045     28.3252     106.045     
1 1 1 9  22 6  o 15.4418 3.59569 0.883566     0.433718  -0.48518     0.433397  0.159768    352.035     5.95522     172.035     
1 1 1 9  22 7  o 38.8566 3.59294 3.61957      0.689916  2.26097      0.686362  38.1167     279.398     15.0306     279.398     
1 1 1 9  22 8  o 62.3962 2.97241 8.64347      0.956303  6.12895      0.935349  51.9533     320.951     4.34092     140.951     
1 1 1 9  22 9  o 45.5075 3.25271 4.0549       0.756225  3.83016      0.756694  34.7463     256.075     7.70736     76.0746     
1 1 1 9  22 10 o 72.3406 3.27008 10.7057      1.21724   9.16115      1.21615   82.2643     52.4254     39.4446     52.4254     
1 1 1 9  22 11 o 18.9089 4.86216 0.871853     0.58138   0.135803     0.742453  3.58492     168.804     18.3033     348.804     
1 1 1 9  22 12 o 39.9947 4.2948  3.20586      0.703675  3.10077      0.9851    30.2708     232.814     6.43199     52.8139     
1 1 1 9  22 13 o 31.7741 4.16655 1.35937      0.59217   2.76631      0.730939  26.2246     90.693      2.04158     90.693      
1 1 1 9  22 14 o 33.6097 4.23373 2.31595      0.643708  2.18168      0.769428  35.2168     92.5858     20.8124     92.5858     
1 1 1 9  22 15 o 33.0942 4.01328 2.71398      0.656123  1.67974      0.652365  30.7582     53.2821     8.77766     53.2821     
1 1 1 9  22 16 o 106.257 3.23503 22.1054      1.55996   20.9194      1.95582   107.766     255.539     29.8735     255.539     
1 1 1 9  22 17 o 36.6001 5.48362 1.72092      1.09446   3.98139      0.95583   31.502      283.187     2.71576     283.187     
1 1 1 9  22 18 o 26.9652 5.34741 1.14214      1.01051   1.77892      0.637952  19.393      130.283     3.82132     310.283     
1 1 1 9  22 19 o 24.0273 5.09118 0.720463     0.861938  1.51287      0.613526  5.9295      351.095     27.0184     171.095     
1 1 1 9  22 20 o 70.341  3.25506 9.89434      1.25914   9.12397      1.10073   70.012      343.32      19.0956     343.32      
1 1 1 9  22 21 o 48.4476 3.67375 4.30606      0.948926  4.90296      0.850668  41.3835     2.02291     0.702037    2.02291     
1 1 1 9  22 22 o 60.13   3.41639 6.9013       1.10283   7.15687      1.00318   52.793      30.3489     3.05191     30.3488     
1 1 1 9  22 23 f 35.4262 4.05247 2.90887      0.723475  2.1886       0.705799  27.1933     61.1554     0           0           
1 1 1 9  22 24 o 16.9373 4.54979 0.458543     0.549538  0.491067     0.552836  8.19455     151.696     0.713561    331.696     
1 1 1 9  22 25 o 11.4867 3.7076  -0.508561    0.480637  -0.0480345   0.513256  0.117247    289.918     10.7448     289.918     
1 1 1 9  22 26 o 46.694  3.90285 5.54682      0.909337  3.36025      0.888124  47.0245     333.518     16.9126     333.518     
1 1 1 9  22 27 o 61.3701 3.3597  7.1392       1.02072   7.70961      1.10055   57.9951     76.2544     13.0495     76.2544     
1 1 1 9  22 28 o 54.6185 2.8884  6.46183      0.768159  5.15411      0.834914  45.3015     38.0687     0.662454    218.069     
1 1 1 9  22 29 o 13.5956 3.79211 0.299963     0.429819  0.227536     0.356924  4.31678     24.3301     3.11249     204.33      
1 1 1 9  22 30 f 42.149  3.50608 3.51509      0.798123  3.68317      0.69425   31.3991     68.5446     0           0           
1 1 1 9  22 31 f 29.3358 3.85185 1.75449      0.573971  1.86979      0.553562  21.6397     213.072     0           0           
1 1 1 9  22 32 o 22.632  4.18457 0.709327     0.526453  1.55566      0.517574  17.3944     295.433     1.00911     295.433     
1 1 1 9  22 33 o 26.9645 4.29345 1.76457      0.597023  1.48877      0.575456  22.7748     58.2739     3.95982     58.2739     
1 1 1 9  22 34 o 19.8943 4.45827 1.12942      0.561507  0.701452     0.478301  10.6043     107.501     8.30449     287.501     
1 1 1 9  22 35 o 13.5927 3.99069 0.52325      0.515746  -0.122323    0.444774  4.17791     193.09      0.96523     13.0904     
1 1 1 9  22 36 o 16.9743 4.59389 0.343138     0.591143  0.859259     0.575358  5.65391     19.5248     12.1921     199.525     
1 1 1 9  22 37 o 11.3685 3.77626 -0.322639    0.638168  -0.267441    0.487486  1.27827     13.1621     5.22737     193.162     
1 1 1 9  22 38 o 9.71127 3.28411 -0.350244    0.511486  -0.461577    0.408092  0.306428    202.989     6.64329     202.989     
1 1 1 9  22 39 o 19.5574 4.74815 0.691983     0.618128  1.2602       0.590701  13.4388     287.48      1.66764     287.48      
1 1 1 9  22 40 o 15.4939 4.56141 0.125169     0.665066  0.742574     0.603222  6.25738     8.77076     4.14659     188.771     
1 1 1 9  22 41 o 11.7573 3.84461 0.132205     0.616721  -0.305324    0.468403  0.7672      174.053     4.52529     354.053     
1 1 1 9  22 42 f 14.2402 4.25541 0.0856162    0.609573  0.530434     0.51395   3.94956     338.749     0           0           
1 1 1 9  22 43 o 14.3146 4.30141 0.731972     0.600742  -0.0985927   0.568171  4.37734     248.574     3.66904     68.5737     
1 1 1 9  22 44 o 14.4619 4.0942  1.13599      0.606811  -0.703553    0.514037  5.13075     47.0141     5.29054     227.014     
1 1 1 9  22 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  23 0  o 16.0572 6.27438 0.710577     0.7619    0.710577     0.7619    2.7569      270         4.32199     89.9999     
1 1 1 9  23 1  o 62.1157 4.1471  8.71872      1.32751   6.37734      1.28758   54.8247     83.9165     2.4132      83.9164     
1 1 1 9  23 2  o 47.3746 3.10654 4.38271      0.74349   4.16005      0.763582  38.9453     210.642     2.70722     30.6416     
1 1 1 9  23 3  o 39.5697 3.40085 3.48383      0.674303  2.57441      0.675878  22.2611     184.907     22.4558     4.9066      
1 1 1 9  23 4  o 27.7268 4.07684 2.0711       0.570446  1.04483      0.570083  20.7753     323.021     12.9123     323.021     
1 1 1 9  23 5  o 15.2635 3.93156 0.661773     0.440701  -0.0827027   0.449341  2.41453     41.5415     6.12485     221.542     
1 1 1 9  23 6  o 58.0011 3.0238  6.76183      0.90073   6.01535      0.901934  54.5043     302.125     9.36782     302.125     
1 1 1 9  23 7  o 62.6155 2.97461 7.97929      0.960988  6.90103      0.954916  44.3629     220.8       19.8422     40.7998     
1 1 1 9  23 8  o 23.3483 4.41284 0.834073     0.543526  1.37656      0.563126  16.1146     353.956     0.327577    173.956     
1 1 1 9  23 9  o 41.1496 3.44459 3.63607      0.722765  2.92598      0.711032  39.3952     288.972     10.3372     288.972     
1 1 1 9  23 10 o 17.5003 4.18431 1.10925      0.579085  -0.19319     0.471799  3.31711     173.519     0.253718    173.519     
1 1 1 9  23 11 o 23.8215 4.92743 1.14556      0.637343  1.17667      0.656451  17.8612     163.568     1.72191     163.568     
1 1 1 9  23 12 o 62.5141 3.04463 7.6023       0.978546  7.27311      0.982098  66.3999     228.779     25.5575     228.779     
1 1 1 9  23 13 o 15.2104 4.19587 0.276287     0.464793  0.345291     0.490588  5.0192      53.2362     7.53221     233.236     
1 1 1 9  23 14 o 76.8118 3.05389 10.9105      1.14144   11.5629      1.27962   73.5812     275.291     14.481      275.291     
1 1 1 9  23 15 o 34.56   4.26504 2.08647      0.701796  2.73498      0.769966  28.3229     337.352     0.275497    157.352     
1 1 1 9  23 16 f 58.0536 3.80422 7.23191      1.02243   5.9786       1.19913   49.0235     196.573     0           0           
1 1 1 9  23 17 o 31.1076 4.64386 3.09827      0.771066  1.05194      0.726612  31.0433     94.6864     13.8675     94.6864     
1 1 1 9  23 18 o 22.4363 4.62871 1.23074      0.57575   0.846895     0.581103  8.31449     187.888     18.6203     7.88827     
1 1 1 9  23 19 o 9.98528 3.27152 -0.950013    0.398598  0.0156405    0.447257  0.672127    56.8995     5.70609     56.8995     
1 1 1 9  23 20 o 42.4241 3.70829 4.07572      0.796919  3.09794      0.785221  28.1189     83.2264     14.8741     263.226     
1 1 1 9  23 21 o 24.9843 4.61699 1.67583      0.617605  0.967622     0.619941  12.7242     25.2016     13.9952     205.202     
1 1 1 9  23 22 o 40.4494 3.79447 3.18125      0.761915  3.38237      0.790117  46.0056     347.568     27.2999     347.568     
1 1 1 9  23 23 o 15.7236 4.43579 0.324033     0.540169  0.356575     0.54918   5.79576     41.6878     7.47124     221.688     
1 1 1 9  23 24 o 28.698  5.23364 1.55112      0.775903  2.10844      0.801742  23.5855     219.898     2.88381     219.898     
1 1 1 9  23 25 o 14.4049 4.44296 -0.365093    0.636352  0.305128     0.649043  3.80573     288.971     28.4663     288.971     
1 1 1 9  23 26 o 31.7982 4.77614 1.15863      0.694114  3.4918       0.888126  30.113      130.136     10.6555     130.136     
1 1 1 9  23 27 f 15.3953 4.59594 -0.0322482   0.569607  0.483719     0.696157  10.6379     103.077     0           0           
1 1 1 9  23 28 o 53.4411 4.11101 5.3387       0.968963  6.68589      1.27179   56.3804     43.7831     25.1329     43.7831     
1 1 1 9  23 29 o 15.9811 4.76797 0.154429     0.724064  0.417402     0.642168  7.74439     95.8359     1.43675     95.8359     
1 1 1 9  23 30 o 30.9091 4.03767 2.22997      0.572667  1.88707      0.663209  26.425      38.599      4.10512     38.599      
1 1 1 9  23 31 o 27.4397 3.92277 2.10904      0.562014  1.21267      0.518655  14.8724     32.0988     13.7918     212.099     
1 1 1 9  23 32 o 11.1238 3.48742 0.0722496    0.421226  -0.131579    0.379761  1.95363     188.334     4.52805     8.33353     
1 1 1 9  23 33 o 31.4182 3.84078 1.90243      0.60101   2.41523      0.598941  31.6255     273.706     15.6431     273.706     
1 1 1 9  23 34 o 32.8082 3.75565 2.24448      0.622693  2.46393      0.608878  27.3745     135.405     3.87026     135.405     
1 1 1 9  23 35 o 17.9852 4.75275 0.780047     0.623672  0.755196     0.569006  10.6908     212.661     2.30974     212.661     
1 1 1 9  23 36 o 11.8767 3.78657 -0.090841    0.529254  0.0259997    0.460056  1.54848     18.4786     2.08        198.479     
1 1 1 9  23 37 o 11.488  3.61207 0.464427     0.514243  -0.963039    0.449195  1.70075     115.116     6.78935     295.116     
1 1 1 9  23 38 o 18.2923 5.0587  0.945744     0.705608  0.838134     0.68606   10.5181     120.077     0.411024    120.076     
1 1 1 9  23 39 o 23.0766 5.62465 1.98609      0.882672  1.31443      0.756552  16.723      100.792     4.20879     100.792     
1 1 1 9  23 40 o 12.2345 3.92854 0.515708     0.621677  -0.8731      0.52493   1.13766     194.88      5.40081     14.8799     
1 1 1 9  23 41 o 14.6897 4.35865 0.900161     0.651175  -0.118147    0.516701  4.47683     8.04583     2.14743     188.046     
1 1 1 9  23 42 o 9.60549 3.30521 -0.11232     0.555473  -1.08248     0.463688  0.330497    37.6776     4.56709     37.6776     
1 1 1 9  23 43 o 19.6622 4.74866 0.364814     0.758885  1.6589       0.628916  12.1678     101.816     1.43405     281.816     
1 1 1 9  23 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  24 0  o 8.08272 4.02186 -0.700253    0.65819   -0.700253    0.65819   8.70915     90          25.7466     90          
1 1 1 9  24 1  o 62.3039 4.30818 9.51066      1.36994   5.98023      1.31826   57.0727     174.619     7.21529     174.619     
1 1 1 9  24 2  o 40.3857 3.61686 3.17948      0.787862  3.17018      0.68771   31.1458     355.936     5.74277     175.936     
1 1 1 9  24 3  o 42.651  3.20416 3.46264      0.695082  3.52699      0.700034  38.8549     304.883     5.94283     304.883     
1 1 1 9  24 4  o 29.7736 4.10355 2.10852      0.600917  1.46381      0.616102  26.4825     210.391     5.66063     210.391     
1 1 1 9  24 5  o 71.2461 2.94275 11.019       1.08515   8.34145      1.06444   59.44       111.039     4.0759      291.039     
1 1 1 9  24 6  o 61.8507 3.06205 8.57303      0.972052  6.11164      0.957507  44.01       35.2462     18.4346     215.246     
1 1 1 9  24 7  o 27.8936 4.19464 1.58359      0.583552  1.56023      0.592084  20.064      199.358     4.54635     19.3576     
1 1 1 9  24 8  o 48.8429 3.2328  4.31083      0.797529  4.86977      0.819001  41.2757     279.877     0.355055    99.8771     
1 1 1 9  24 9  o 74.1163 2.93347 10.5132      1.12372   10.3784      1.12128   66.5226     190.645     5.58991     190.645     
1 1 1 9  24 10 o 67.6511 3.21263 8.53533      1.18009   9.03167      1.05016   60.4825     35.7586     5.05148     35.7586     
1 1 1 9  24 11 o 22.1994 4.8753  0.670398     0.632241  1.32297      0.645169  14.3021     216.256     4.25884     36.2559     
1 1 1 9  24 12 o 19.2939 4.30754 0.0411872    0.517983  1.29658      0.58399   8.66214     200.7       10.9903     20.7001     
1 1 1 9  24 13 o 31.271  4.52536 2.23892      0.696324  1.80044      0.720562  31.4854     45.1717     14.7244     45.1717     
1 1 1 9  24 14 o 56.9826 3.49387 6.33951      1.01801   6.33854      1.0256    56.3956     274.497     16.6183     274.497     
1 1 1 9  24 15 o 27.5503 4.52566 2.05138      0.673085  1.1584       0.612365  25.6706     267.164     10.2292     267.164     
1 1 1 9  24 16 o 23.5657 4.84841 1.38781      0.605194  0.939527     0.677308  14.2498     233.403     7.51288     53.4032     
1 1 1 9  24 17 o 30.8898 4.5725  1.95391      0.750524  2.03826      0.665757  22.4981     230.07      4.58622     50.0695     
1 1 1 9  24 18 o 91.3928 2.97126 17.3832      1.40998   14.8307      1.39178   93.8993     92.893      32.7297     92.893      
1 1 1 9  24 19 o 29.0208 4.83681 1.8399       0.769921  1.7759       0.66196   17.564      18.9827     11.205      198.983     
1 1 1 9  24 20 o 19.8395 4.49833 0.114863     0.596666  1.33782      0.596667  7.67329     78.7111     14.1888     258.711     
1 1 1 9  24 21 o 32.9621 4.56698 2.95083      0.718802  1.70656      0.774173  23.502      91.5939     6.05491     271.594     
1 1 1 9  24 22 o 15.4697 4.44701 0.128163     0.548502  0.45642      0.579288  6.5421      25.2189     3.222       205.219     
1 1 1 9  24 23 o 14.8117 4.26467 -0.637699    0.530599  0.766311     0.632155  5.94698     75.32       3.25738     255.32      
1 1 1 9  24 24 o 24.9168 4.93488 1.03639      0.682485  1.75233      0.678087  21.0759     318.049     5.43629     318.049     
1 1 1 9  24 25 o 10.8612 3.57925 -0.647303    0.485028  -0.119296    0.512732  0.980589    97.1002     7.1219      277.1       
1 1 1 9  24 26 o 11.3685 3.64496 -1.0632      0.487764  0.232607     0.52501   0.915876    206.327     15.9644     206.327     
1 1 1 9  24 27 o 24.4004 4.73216 2.10195      0.689253  0.632434     0.675369  16.9078     10.509      3.46972     190.509     
1 1 1 9  24 28 o 42.108  4.07464 4.06899      0.873134  3.589        0.856394  43.5865     78.4445     19.7895     78.4445     
1 1 1 9  24 29 o 16.1898 4.88275 0.794347     0.794953  -0.223135    0.701794  8.56347     99.3682     1.86616     99.3682     
1 1 1 9  24 30 o 22.8184 5.20663 0.910183     0.717585  1.68785      0.733471  17.99       168.907     3.77054     168.907     
1 1 1 9  24 31 o 29.827  4.9184  3.01594      0.774048  1.4065       0.78703   29.4452     97.248      15.3459     97.248      
1 1 1 9  24 32 o 13.1798 4.05556 -0.359091    0.382487  0.66031      0.654776  2.17957     351.078     1.21367     171.078     
1 1 1 9  24 33 o 10.5633 3.38251 0.0658479    0.438499  -0.224078    0.354278  0.228556    270.799     7.88057     90.7986     
1 1 1 9  24 34 o 26.2666 4.29968 1.16415      0.574117  2.1783       0.600897  22.9354     338.505     7.94923     338.505     
1 1 1 9  24 35 o 16.7424 4.44948 0.774617     0.560306  0.550915     0.487879  9.15085     99.8163     0.807761    99.8163     
1 1 1 9  24 36 o 13.9806 4.07157 0.660138     0.528329  -0.0533261   0.467934  3.16325     84.2213     9.70742     264.221     
1 1 1 9  24 37 o 16.0751 4.36058 0.866402     0.535943  0.294586     0.523373  6.09923     37.3196     1.00396     217.32      
1 1 1 9  24 38 o 20.086  4.76104 1.71534      0.683877  0.45867      0.587975  12.3996     198.265     1.49247     198.265     
1 1 1 9  24 39 o 19.1593 4.58575 1.90537      0.716383  -0.0497332   0.583719  11.571      119.333     2.53769     119.333     
1 1 1 9  24 40 o 22.4574 5.52177 1.65006      0.91554   1.61477      0.69688   16.4713     300.244     4.65725     300.244     
1 1 1 9  24 41 o 21.2298 4.76695 1.79511      0.652252  0.767363     0.604729  14.9206     77.4465     1.95184     77.4465     
1 1 1 9  24 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  25 0  o 11.2658 5.18773 0.00963126   0.733208  0.00963126   0.733208  0.102144    270         10.3608     270         
1 1 1 9  25 1  o 56.7727 4.40292 6.60187      1.27048   6.36347      1.27779   55.1972     76.2077     14.6807     76.2077     
1 1 1 9  25 2  o 18.2334 4.93803 1.12534      0.765538  -0.610818    0.751822  10.0024     188.961     1.87565     8.96094     
1 1 1 9  25 3  o 14.4584 3.94267 0.276709     0.404788  0.325069     0.431199  4.40313     119         4.25753     299         
1 1 1 9  25 4  o 67.6472 2.94126 9.07867      1.02325   8.43267      1.02809   67.249      228.383     19.6106     228.383     
1 1 1 9  25 5  o 65.8392 2.97877 8.63412      1.01041   7.98496      1.01077   74.9423     125.883     38.7338     125.883     
1 1 1 9  25 6  o 34.1275 3.90035 2.22137      0.661425  2.45089      0.670725  24.5566     70.5682     6.81876     250.568     
1 1 1 9  25 7  o 14.1018 4.08724 0.0222995    0.479736  0.326099     0.486425  3.56909     74.2248     7.78305     254.225     
1 1 1 9  25 8  o 49.9779 3.23762 4.52634      0.822047  5.18451      0.834127  53.3575     119.717     23.6414     119.717     
1 1 1 9  25 9  o 74.3259 2.98382 10.5198      1.13833   10.7019      1.15142   63.2668     94.5853     0.23055     94.5852     
1 1 1 9  25 10 o 29.0775 4.40073 2.03701      0.646268  1.48713      0.642863  25.1631     8.20545     5.10404     8.20546     
1 1 1 9  25 11 o 23.5661 4.99205 1.65296      0.672525  0.615704     0.747739  16.4916     14.7258     10.2546     14.7258     
1 1 1 9  25 12 o 30.5692 4.71436 1.93725      0.732334  2.00849      0.719594  14.4859     352.63      20.6855     172.63      
1 1 1 9  25 13 o 27.2531 4.97751 2.02714      0.800619  1.22164      0.62706   19.6183     303.829     3.08185     123.829     
1 1 1 9  25 14 o 10.9484 3.55102 -0.602582    0.482667  -0.0563781   0.459238  0.0968787   36.5796     5.83745     216.579     
1 1 1 9  25 15 o 14.5884 4.22214 0.419392     0.512808  -0.0429613   0.5334    3.75407     95.2432     1.6098      275.243     
1 1 1 9  25 16 o 43.3139 4.04459 4.49369      0.837671  3.18889      0.891158  30.2545     216.907     10.9813     36.9071     
1 1 1 9  25 17 o 39.6257 4.30763 3.12826      0.879601  3.38688      0.828225  32.2436     105.032     0.0591727   285.032     
1 1 1 9  25 18 o 28.8845 4.51605 1.98291      0.647889  1.58834      0.670787  21.2542     128.151     2.86816     308.151     
1 1 1 9  25 19 o 11.6225 3.70839 -0.296629    0.471176  -0.0352325   0.482166  1.32809     318.385     3.73162     138.385     
1 1 1 9  25 20 o 32.7619 4.36597 2.4159       0.711706  2.16227      0.715965  24.3217     160.981     3.78036     340.981     
1 1 1 9  25 21 o 25.691  4.74263 2.10997      0.702794  0.877556     0.638939  16.8057     249.837     6.20258     69.8367     
1 1 1 9  25 22 o 45.358  3.9392  4.34266      0.901824  4.23256      0.911234  39.4662     112.421     5.00561     112.421     
1 1 1 9  25 23 o 28.0901 4.55549 2.75001      0.704614  0.874683     0.690733  21.7571     36.1249     0.185528    216.125     
1 1 1 9  25 24 o 17.2265 4.75121 0.621466     0.607249  0.497145     0.620002  6.25602     251.233     12.3051     71.233      
1 1 1 9  25 25 o 26.4096 5.06057 1.79447      0.717091  1.54075      0.705579  16.5917     318.638     7.82249     138.638     
1 1 1 9  25 26 f 12.5215 4.00485 -0.0638587   0.552151  -0.128634    0.561207  6.25419     329.094     0           0           
1 1 1 9  25 27 o 16.5627 4.56244 -0.0315977   0.603798  0.936145     0.617914  5.35442     299.039     12.5381     119.039     
1 1 1 9  25 28 o 45.8933 4.73626 4.98166      1.20849   4.80891      0.949463  39.3198     297.544     5.49204     297.544     
1 1 1 9  25 29 o 13.1742 4.23498 0.344126     0.648725  -0.958541    0.721387  3.19012     233.782     6.24827     53.7823     
1 1 1 9  25 30 o 14.646  4.51828 0.33595      0.646877  0.123544     0.650427  5.4695      292.95      3.26615     112.95      
1 1 1 9  25 31 o 11.3686 3.77934 -1.02899     0.586134  0.0800173    0.598158  0.944949    314.928     8.50456     134.928     
1 1 1 9  25 32 o 43.7494 4.31945 4.16182      0.936553  4.82106      0.965665  47.2316     94.8303     27.1354     94.8303     
1 1 1 9  25 33 o 29.9109 5.32829 2.67928      0.821647  2.19065      0.839671  24.1301     278.763     3.98631     278.763     
1 1 1 9  25 34 o 13.7502 4.35822 0.273905     0.602663  -0.0414621   0.701112  2.23729     240.3       1.36731     60.2998     
1 1 1 9  25 35 o 12.4485 3.76651 0.489172     0.494341  -0.18962     0.398509  1.29858     312.172     6.92438     132.172     
1 1 1 9  25 36 o 26.9017 4.54601 1.4731       0.631935  2.21812      0.636391  18.3541     141.509     1.97046     321.509     
1 1 1 9  25 37 o 23.4181 4.88956 1.46393      0.653766  1.55025      0.618231  18.2187     237.617     6.97613     237.617     
1 1 1 9  25 38 o 15.4346 4.44237 0.362989     0.560234  0.738501     0.57175   6.18182     114.177     0.947616    294.177     
1 1 1 9  25 39 o 18.0653 4.87221 1.09359      0.658179  0.763105     0.614689  10.767      2.58429     0.723865    2.5843      
1 1 1 9  25 40 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  26 0  o 9.22432 4.47944 -0.401389    0.694126  -0.401389    0.694126  1.47124     90          7.44495     90          
1 1 1 9  26 1  o 18.4059 5.27309 0.880286     0.830094  -0.114041    0.809311  5.88263     36.4718     14.5385     216.472     
1 1 1 9  26 2  o 20.0908 5.54408 0.859352     0.839529  0.524673     0.83872   1.62586     242.05      27.5165     62.05       
1 1 1 9  26 3  o 66.925  3.86324 9.37114      1.46677   8.50928      1.18306   62.069      344.648     11.8819     344.648     
1 1 1 9  26 4  o 46.606  3.23766 4.59435      0.763941  3.91271      0.774068  49.3687     108.356     22.4564     108.356     
1 1 1 9  26 5  o 17.7251 4.38027 0.875127     0.520488  0.254785     0.52285   9.5463      246.333     2.50141     66.3331     
1 1 1 9  26 6  f 19.3666 4.6733  1.01247      0.606816  0.482477     0.541401  9.8968      315.555     0           0           
1 1 1 9  26 7  o 82.0471 3.11615 14.5039      1.37876   11.7015      1.26048   85.4356     209.628     33.0797     209.628     
1 1 1 9  26 8  o 18.6316 4.64588 0.862999     0.555911  0.451151     0.587845  4.34132     322.005     18.8781     142.005     
1 1 1 9  26 9  o 36.5824 4.24193 3.14661      0.713357  2.393        0.810823  22.9466     251.979     13.7711     71.9786     
1 1 1 9  26 10 o 21.5825 4.90258 0.640966     0.5916    1.34165      0.682406  15.4402     292.553     1.30798     292.553     
1 1 1 9  26 11 o 10.611  3.63032 -0.703982    0.469529  -0.728049    0.697599  0.418228    231.987     8.42752     231.987     
1 1 1 9  26 12 o 49.493  3.57276 4.60704      0.926765  5.18142      0.871408  37.7699     262.796     6.25053     82.7956     
1 1 1 9  26 13 o 14.8188 4.27582 0.223722     0.525056  0.299459     0.513698  3.15955     97.9119     27.9043     97.9119     
1 1 1 9  26 14 o 45.619  3.64545 5.05934      0.843175  3.41215      0.820701  33.8499     289.278     7.25773     109.278     
1 1 1 9  26 15 o 18.3312 4.69431 0.500537     0.57408   0.819909     0.585583  10.9336     211.083     2.38562     31.0826     
1 1 1 9  26 16 o 33.0391 4.92174 2.94116      0.809222  1.93201      0.827901  28.2358     264.801     4.33435     264.801     
1 1 1 9  26 17 o 32.8875 4.61997 2.96395      0.820405  1.82475      0.703953  36.4662     278.172     23.9076     278.172     
1 1 1 9  26 18 o 36.263  4.18457 3.35104      0.748731  2.28136      0.748719  34.0265     174.558     10.4339     174.558     
1 1 1 9  26 19 o 19.4705 4.70727 1.23732      0.620805  0.326763     0.606659  14.3286     278.731     3.33499     278.731     
1 1 1 9  26 20 o 14.7426 4.36072 0.0468353    0.54254   0.434821     0.585653  6.64833     90.7616     0.1093      270.762     
1 1 1 9  26 21 o 18.046  4.64917 0.0143216    0.611275  1.18265      0.642815  6.01048     311.068     14.6057     131.068     
1 1 1 9  26 22 o 13.6806 4.22252 0.26366      0.575415  -0.111291    0.568153  1.46885     101.019     15.8335     281.019     
1 1 1 9  26 23 o 13.2696 4.15881 -0.110316    0.574659  0.143198     0.567911  4.60211     49.1518     4.35721     229.152     
1 1 1 9  26 24 o 19.2877 4.47108 -0.0612275   0.607538  1.5394       0.633657  13.8        169.634     3.14705     169.634     
1 1 1 9  26 25 o 13.5645 4.1762  -0.230513    0.55883   0.387316     0.574291  1.91856     313.656     0.435761    133.656     
1 1 1 9  26 26 o 18.9734 4.85697 1.40721      0.698576  0.19301      0.650195  10.2079     297.713     5.104       117.713     
1 1 1 9  26 27 o 28.6194 4.88669 3.31394      0.838449  0.957146     0.753999  24.2853     268.278     6.30067     268.278     
1 1 1 9  26 28 o 15.1717 4.83464 0.28673      0.829077  0.0701062    0.774549  5.66517     261.569     6.15817     81.5689     
1 1 1 9  26 29 o 25.2874 5.73784 2.08126      0.811737  1.63006      0.944763  20.8748     312.031     6.64641     312.031     
1 1 1 9  26 30 o 29.0641 5.3168  2.91989      0.824292  1.72407      0.857761  21.2313     197.581     0.832311    17.5811     
1 1 1 9  26 31 o 15.745  4.66348 0.737147     0.657812  0.223458     0.64507   5.79989     111.04      0.410616    291.04      
1 1 1 9  26 32 o 26.5693 5.31998 2.13776      0.758645  1.81843      0.782236  21.5871     187.395     14.2867     187.395     
1 1 1 9  26 33 o 17.1758 5.06502 0.55264      0.717615  0.91066      0.784153  7.20304     50.8491     3.71437     230.849     
1 1 1 9  26 34 o 13.6718 4.40599 0.258636     0.736364  -0.0462526   0.637055  2.85195     37.7613     3.89589     217.761     
1 1 1 9  26 35 o 19.9266 5.49251 0.840723     0.767662  1.68452      0.888937  11.9418     70.3177     0.173572    250.318     
1 1 1 9  26 36 o 12.2047 4.07357 -0.145004    0.689761  -0.239253    0.656757  1.50794     347.817     2.0484      167.817     
1 1 1 9  26 37 o 13.1267 3.90365 0.671713     0.509425  -0.361057    0.487971  3.78975     0.597976    2.14506     180.598     
1 1 1 9  26 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  27 0  o 31.3007 8.36458 2.79651      1.27186   2.79651      1.27186   28.6211     90          4.73569     90          
1 1 1 9  27 1  o 27.4352 6.63808 0.991198     1.14214   2.66036      1.2482    15.1622     239.522     12.1742     59.5216     
1 1 1 9  27 2  o 37.7284 6.98213 2.68244      1.06622   4.6526       1.70661   30.0556     208.617     0.0701106   208.616     
1 1 1 9  27 3  o 17.3787 5.63549 0.208901     0.801545  -1.21753     1.67364   4.02175     314.292     1.23838     314.292     
1 1 1 9  27 4  o 37.4042 4.16037 2.7364       0.812415  3.08738      0.736575  31.9987     259.318     3.91445     259.318     
1 1 1 9  27 5  o 55.2488 3.32069 7.44412      0.924747  4.78983      0.916916  54.2636     137.78      17.7627     137.78      
1 1 1 9  27 6  o 31.3768 4.50009 2.2234       0.675111  1.99927      0.736884  27.5384     268.075     6.09169     268.075     
1 1 1 9  27 7  o 13.6692 3.99605 0.50883      0.490387  -0.627799    0.570977  4.35591     156.375     5.40013     336.375     
1 1 1 9  27 8  o 47.9662 4.19221 6.4162       0.977285  3.35675      0.957097  41.7982     163.082     5.30204     163.082     
1 1 1 9  27 9  o 16.6508 4.668   0.262533     0.577843  0.618682     0.630509  4.01814     47.7129     15.7952     227.713     
1 1 1 9  27 10 o 31.2272 4.55158 2.46523      0.756893  1.79835      0.670554  30.7179     109.242     13.5937     109.242     
1 1 1 9  27 11 o 52.6902 4.1801  7.09209      1.12115   4.65599      1.07793   49.6859     33.5646     13.4056     33.5646     
1 1 1 9  27 12 o 34.887  4.30058 2.52697      0.745279  2.69101      0.753406  27.1913     287.77      1.30562     107.77      
1 1 1 9  27 13 o 48.7857 3.54222 5.33369      0.873481  4.39466      0.882104  50.2637     281.392     21.6216     281.392     
1 1 1 9  27 14 o 15.5466 4.36311 0.145168     0.528686  0.587852     0.543695  8.04674     50.7324     0.136872    50.7327     
1 1 1 9  27 15 o 15.1247 4.35653 0.517866     0.550859  0.0903314    0.546603  7.42805     151.79      0.0111242   151.789     
1 1 1 9  27 16 o 44.8798 4.39415 4.30229      0.977665  4.51471      1.01214   42.6786     234.33      13.3285     234.33      
1 1 1 9  27 17 o 19.9586 4.77795 0.316272     0.689348  1.34694      0.61897   14.5082     184.67      1.34719     184.67      
1 1 1 9  27 18 o 21.8383 5.01444 1.05786      0.642165  1.2239       0.658654  15.6611     201.366     0.200311    21.3657     
1 1 1 9  27 19 o 23.092  5.0773  1.60635      0.688795  0.986248     0.689304  16.4831     105.862     0.761305    285.862     
1 1 1 9  27 20 o 15.9886 4.1549  1.14708      0.591321  -0.791226    0.576784  7.74743     279.035     4.67484     99.0345     
1 1 1 9  27 21 f 27.8005 4.81236 2.60722      0.734412  1.183        0.709932  20.4885     18.6485     0           0           
1 1 1 9  27 22 o 20.1054 5.06182 0.887349     0.666485  1.1106       0.667284  13.0761     92.0959     0.203364    272.096     
1 1 1 9  27 23 o 30.6957 4.91204 2.27896      0.761489  2.32459      0.765088  27.4324     16.804      9.23519     16.804      
1 1 1 9  27 24 o 12.1854 3.97116 -0.109508    0.587033  -0.203445    0.576035  2.17328     197.551     5.46388     17.5514     
1 1 1 9  27 25 o 15.5521 4.5895  0.0388451    0.623103  0.739343     0.650347  5.52874     302.896     8.39565     122.896     
1 1 1 9  27 26 o 14.4585 4.48191 0.428687     0.675168  0.0407281    0.615252  5.50554     177.866     3.12955     357.866     
1 1 1 9  27 27 o 17.5741 5.09878 0.472707     0.874604  0.907834     0.676541  4.49417     322.686     1.89213     322.686     
1 1 1 9  27 28 o 20.5576 5.69247 1.4467       0.89761   1.10863      0.872173  13.1218     348.101     4.41696     348.101     
1 1 1 9  27 29 o 11.4997 3.82291 -0.0685977   0.572315  -0.551902    0.611185  0.535158    234.412     3.75901     54.4122     
1 1 1 9  27 30 o 13.9308 4.40334 0.407717     0.64253   -0.148041    0.691363  0.424311    17.0466     0.353757    197.047     
1 1 1 9  27 31 o 19.6345 5.17993 1.51367      0.748142  0.632387     0.735986  11.4087     164.604     0.98337     164.604     
1 1 1 9  27 32 o 11.9356 3.98102 -0.539287    0.632139  -0.00263686  0.657964  1.17095     284.134     5.67618     104.134     
1 1 1 9  27 33 o 14.6297 4.62921 -0.401297    0.705825  0.85897      0.791453  2.32219     150.957     0.201098    330.957     
1 1 1 9  27 34 o 13.355  4.35997 -0.206394    0.720331  0.254868     0.704292  1.98522     270.033     0.693641    90.0326     
1 1 1 9  27 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  28 0  f 13.4746 5.83602 0.447108     0.779876  0.447108     0.779876  3.65609     270         0           0           
1 1 1 9  28 1  o 14.068  4.50738 -1.25563     0.751143  0.404635     0.775771  5.4425      8.37664     3.97692     188.377     
1 1 1 9  28 2  o 14.0088 4.58031 -0.365293    0.80579   -0.246547    0.761044  2.30334     24.8552     13.962      204.855     
1 1 1 9  28 3  o 19.0686 5.43911 0.365922     0.815925  0.966021     0.86339   12.0256     336.654     1.52186     156.654     
1 1 1 9  28 4  o 16.4466 5.17745 0.479386     0.841272  -0.648443    1.04589   7.20435     103.242     1.99431     103.242     
1 1 1 9  28 5  o 38.6726 3.98875 3.19849      0.731539  3.12147      0.814871  35.9758     188.509     10.4397     188.509     
1 1 1 9  28 6  o 15.7075 4.43416 0.684068     0.567466  -0.0375025   0.586067  7.78314     133.881     1.43397     133.881     
1 1 1 9  28 7  o 23.3128 5.05652 1.76176      0.715429  0.768923     0.698274  20.2608     139.796     8.10912     139.796     
1 1 1 9  28 8  o 25.8799 4.81585 0.956494     0.706689  2.15802      0.685644  18.5781     294.021     2.33499     114.021     
1 1 1 9  28 9  o 13.7602 4.15254 -0.275563    0.540278  0.435709     0.554508  5.26162     169.914     0.74679     349.914     
1 1 1 9  28 10 o 16.4795 4.61691 0.7862       0.628591  0.124369     0.583377  6.80396     296.446     9.31099     116.446     
1 1 1 9  28 11 o 18.2461 5.21814 0.974714     0.821501  0.297315     0.730471  11.9458     355.2       4.46759     355.2       
1 1 1 9  28 12 f 25.4192 5.68493 1.70711      0.737826  1.59157      0.97701   15.166      29.8481     0           0           
1 1 1 9  28 13 o 26.9084 5.00973 1.09305      0.690647  2.45831      0.789792  18.5185     229.366     3.98737     49.3661     
1 1 1 9  28 14 o 21.1703 4.85371 0.505308     0.595934  1.62748      0.701099  16.0324     70.5761     3.34403     70.5761     
1 1 1 9  28 15 o 19.3097 4.86983 0.539227     0.610608  1.17376      0.654075  11.8985     278.109     2.30802     98.109      
1 1 1 9  28 16 o 25.6532 5.32341 2.3247       0.812347  1.05412      0.793064  16.2236     126.088     5.86001     306.088     
1 1 1 9  28 17 o 19.8407 5.10828 0.68448      0.751784  1.18443      0.660022  13.0566     71.146      5.05064     71.146      
1 1 1 9  28 18 o 30.1321 4.76058 1.21157      0.75381   3.32629      0.784101  22.8496     99.0402     0.14052     99.0401     
1 1 1 9  28 19 o 17.6112 4.72618 0.238629     0.61278   1.08045      0.643547  8.76542     144.662     5.05394     324.662     
1 1 1 9  28 20 o 22.0313 4.85156 1.86748      0.688821  0.552647     0.676848  15.9452     106.85      1.86057     106.85      
1 1 1 9  28 21 o 15.2289 4.54817 0.31465      0.613638  0.443545     0.620485  6.47302     310.133     2.28987     130.133     
1 1 1 9  28 22 o 10.6648 3.5787  0.0343997    0.571908  -1.09057     0.517117  0.410049    246.929     11.1082     246.929     
1 1 1 9  28 23 o 14.3306 4.39502 0.0637787    0.603478  0.435573     0.61641   4.99009     46.6038     5.29586     226.604     
1 1 1 9  28 24 o 13.6331 4.3045  0.227015     0.615269  0.0257097    0.629278  3.52643     336.911     6.28494     156.911     
1 1 1 9  28 25 o 11.6389 3.87908 -0.151057    0.618387  -0.457527    0.597417  0.0518216   168.013     10.4406     348.013     
1 1 1 9  28 26 o 17.3374 4.85769 1.28571      0.734458  0.0823492    0.658353  5.20638     202.278     1.04474     202.278     
1 1 1 9  28 27 o 16.0066 4.9644  0.445037     0.895789  0.505026     0.697405  2.27326     131.702     0.146125    311.702     
1 1 1 9  28 28 o 17.5289 5.15234 1.01759      0.720383  0.414701     0.911575  8.01459     11.3984     0.968411    191.398     
1 1 1 9  28 29 o 15.9406 4.80786 0.478087     0.683089  0.636222     0.717871  6.1286      265.978     4.44452     85.9776     
1 1 1 9  28 30 o 23.3933 5.43688 1.45164      0.776672  1.91923      0.769472  16.2591     242.148     10.0429     242.148     
1 1 1 9  28 31 o 15.9873 4.49305 1.34651      0.689222  -0.62675     0.654518  3.1706      205.184     0.963683    205.184     
1 1 1 9  28 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  28 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  29 0  f 34.0786 7.14859 3.05884      1.09842   3.05884      1.09842   28.3559     90          0           0           
1 1 1 9  29 1  o 41.971  5.91678 5.30175      1.21577   3.6878       1.26101   38.4696     352.987     11.2113     352.987     
1 1 1 9  29 2  o 30.8903 6.4049  3.85569      1.16398   1.49287      1.37303   15.6592     95.6819     16.6        275.682     
1 1 1 9  29 3  f 20.7215 5.87079 1.54248      0.947714  0.143584     1.1762    14.9362     240.452     0           0           
1 1 1 9  29 4  o 25.1074 6.76812 2.29677      1.2377    1.45881      1.2538    16.3286     209.341     3.98116     29.3408     
1 1 1 9  29 5  o 25.7696 5.20348 0.870688     1.1386    2.18549      0.647954  20.6195     168.889     3.63778     168.889     
1 1 1 9  29 6  o 31.2546 4.60282 2.91372      0.755011  1.66267      0.697238  28.1116     81.9735     8.95571     81.9735     
1 1 1 9  29 7  o 25.1473 4.91819 1.79832      0.668984  1.27128      0.675421  15.4844     87.9423     6.6614      267.942     
1 1 1 9  29 8  o 20.005  4.93313 1.24913      0.645804  0.628693     0.656169  13.6679     19.8634     1.47648     19.8633     
1 1 1 9  29 9  o 16.8578 4.59996 0.849846     0.596889  0.275401     0.577728  8.67619     57.9168     1.21589     57.9168     
1 1 1 9  29 10 o 9.68063 3.32186 -0.726907    0.49564   -0.608894    0.542367  1.71667     23.15       11.5262     23.15       
1 1 1 9  29 11 o 17.9167 4.95779 1.1163       0.742485  0.268862     0.635173  9.25508     195.021     2.45075     195.021     
1 1 1 9  29 12 o 21.2498 5.3328  1.2129       0.675047  1.10872      0.816397  13.5348     269.01      1.81432     89.0099     
1 1 1 9  29 13 o 32.8212 4.68915 3.84129      0.797445  1.48917      0.77354   31.5489     52.2907     14.4239     52.2907     
1 1 1 9  29 14 f 20.2147 4.83761 1.47493      0.648024  0.485764     0.661623  16.7086     262.558     0           0           
1 1 1 9  29 15 o 15.4262 4.31592 1.02892      0.62537   -0.504931    0.564761  5.84735     100.174     7.0433      280.174     
1 1 1 9  29 16 f 14.4501 4.53412 -0.207069    0.70478   0.438396     0.683897  12.8959     282.726     0           0           
1 1 1 9  29 17 o 15.8448 4.71762 0.53364      0.687918  0.385714     0.631221  7.2292      138.21      0.370703    318.21      
1 1 1 9  29 18 o 11.3453 3.78027 -0.224142    0.598018  -0.41589     0.550849  1.43971     310.67      4.76694     130.67      
1 1 1 9  29 19 o 17.9    4.83797 1.26751      0.693834  0.213281     0.647592  10.2076     246.724     0.178367    246.725     
1 1 1 9  29 20 o 13.1744 4.22171 0.0190899    0.651171  0.0503389    0.592992  0.992764    251.548     0.697287    71.5483     
1 1 1 9  29 21 o 14.3981 4.43611 0.623305     0.662631  -0.196062    0.623809  3.76063     124.083     2.45        304.083     
1 1 1 9  29 22 o 18.1935 5.0824  0.892254     0.705149  0.845509     0.711978  6.23692     271.723     11.0455     91.7226     
1 1 1 9  29 23 o 8.44818 2.99705 -0.924399    0.581858  -1.47766     0.506454  1.29456     215.767     4.62198     215.767     
1 1 1 9  29 24 o 18.1942 4.82283 1.63512      0.756086  -0.136958    0.661691  9.06889     295.588     0.467563    295.588     
1 1 1 9  29 25 o 20.4178 5.14607 1.81407      0.775208  0.547771     0.703709  12.6427     26.7536     4.12405     26.7536     
1 1 1 9  29 26 o 17.6593 5.12311 0.776255     0.752378  0.921143     0.749549  8.8081      149.561     1.45892     329.561     
1 1 1 9  29 27 o 22.2651 5.70171 2.62119      0.978087  0.634794     0.934442  11.4183     150.622     7.76268     330.622     
1 1 1 9  29 28 o 15.373  4.79305 0.70986      0.70876   0.038655     0.850144  6.37539     88.7385     2.09063     268.738     
1 1 1 9  29 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  29 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  30 0  o 10.9399 5.38574 -0.493285    1.09262   -0.493285    1.09262   0.146159    270         0.591378    89.9998     
1 1 1 9  30 1  o 19.1034 6.06178 -1.45446     1.77327   1.51723      1.20218   8.22339     24.2213     9.20877     204.221     
1 1 1 9  30 2  o 18.7779 5.87086 0.251032     1.11612   1.16784      1.16216   10.6761     312.202     0.763142    132.202     
1 1 1 9  30 3  o 21.4016 5.81322 2.37501      1.08861   -0.15557     0.999174  13.862      306.416     0.783764    126.416     
1 1 1 9  30 4  o 17.3391 5.40871 0.987097     1.04346   0.0196244    0.861996  7.47778     72.7282     1.8124      72.7282     
1 1 1 9  30 5  f 13.4719 4.41356 -2.24355     0.802959  0.636811     0.831003  13.237      206.391     0           0           
1 1 1 9  30 6  o 30.1132 4.81923 2.93132      0.805254  1.59963      0.686504  23.6923     271.337     2.46194     271.337     
1 1 1 9  30 7  o 16.0144 4.49101 -0.0767801   0.583119  0.946531     0.620267  7.50252     208.298     3.09648     28.298      
1 1 1 9  30 8  o 20.2692 4.98966 1.29332      0.661365  0.800301     0.647751  12.5605     312.852     2.07417     132.852     
1 1 1 9  30 9  o 19.065  4.95243 1.03528      0.652916  0.784072     0.636737  12.1515     313.122     0.9779      313.122     
1 1 1 9  30 10 o 19.4453 5.05691 0.92468      0.67202   1.01974      0.668656  10.4871     280.774     5.30377     100.774     
1 1 1 9  30 11 o 20.9623 5.3602  1.7077       0.84283   0.733039     0.685376  13.6347     225.731     0.819632    45.7313     
1 1 1 9  30 12 o 35.2376 5.53573 4.19992      1.00836   2.5643       0.990673  33.6105     341.505     15.1823     341.505     
1 1 1 9  30 13 o 16.707  4.7575  0.156611     0.669625  0.975019     0.663707  6.30484     176.652     1.53372     176.652     
1 1 1 9  30 14 o 25.5119 5.19192 2.49022      0.793459  1.10768      0.759291  18.1625     174.38      0.229439    174.379     
1 1 1 9  30 15 o 22.6268 5.15891 0.809753     0.711941  2.01508      0.762232  14.7093     291.651     1.16789     111.651     
1 1 1 9  30 16 o 26.2926 5.73207 1.7813       0.861401  2.30984      0.872668  15.9528     188.718     5.63364     8.71814     
1 1 1 9  30 17 o 31.8156 5.20264 3.64372      0.920917  1.89089      0.802323  28.7926     358.571     12.8011     358.571     
1 1 1 9  30 18 o 14.2519 4.33628 -0.526073    0.62978   0.764384     0.641842  2.87272     218.207     3.2467      38.2068     
1 1 1 9  30 19 o 14.792  4.27521 1.07326      0.650267  -0.928661    0.609333  3.94595     79.9989     2.82146     259.999     
1 1 1 9  30 20 o 26.1805 5.37968 1.64611      0.790912  2.26825      0.783041  18.9817     50.2684     2.00227     50.2684     
1 1 1 9  30 21 o 9.02454 3.15017 -1.12781     0.549865  -0.668151    0.523773  0.95443     47.5239     4.79953     47.5239     
1 1 1 9  30 22 o 16.5952 4.92705 0.745615     0.747046  0.598698     0.685329  4.6895      251.29      0.907929    251.29      
1 1 1 9  30 23 o 13.9855 4.4093  -0.525672    0.691545  0.696648     0.69225   3.19085     9.42769     8.93012     189.428     
1 1 1 9  30 24 f 12.2269 4.05691 -0.640148    0.69622   0.123146     0.6435    2.39371     84.5118     0           0           
1 1 1 9  30 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  30 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  31 0  o 25.6321 10.1989 3.76378      2.05743   3.76378      2.05743   13.0801     90          14.2279     270         
1 1 1 9  31 1  o 16.5276 5.64069 0.166622     1.79121   -0.158351    1.07849   4.06021     149.559     0.398875    149.559     
1 1 1 9  31 2  o 28.0902 7.54183 4.1383       2.00456   2.93448      1.20946   22.2904     137.542     6.78757     137.542     
1 1 1 9  31 3  o 20.2979 6.07401 1.37967      1.27674   1.18923      0.954002  12.1044     298.774     3.157       298.774     
1 1 1 9  31 4  o 19.4668 5.91232 0.911686     1.22656   1.20195      0.972165  10.8446     290.113     1.97903     290.113     
1 1 1 9  31 5  f 19.6699 6.00539 1.517        1.24682   0.821118     0.978469  11.0724     41.6645     0           0           
1 1 1 9  31 6  o 27.3509 6.38771 1.62659      1.09952   3.37647      1.14899   21.2097     161.462     4.99704     161.462     
1 1 1 9  31 7  o 24.9229 5.01672 1.7283       0.67122   1.56334      0.690394  17.0689     68.7016     0.436484    248.702     
1 1 1 9  31 8  o 33.4222 4.91897 3.06349      0.828036  2.61746      0.821396  30.8818     126.954     13.9127     126.954     
1 1 1 9  31 9  o 12.0599 3.95226 -0.254859    0.57707   -0.048864    0.599384  0.740589    0.243818    3.19145     180.244     
1 1 1 9  31 10 o 16.5647 4.82997 0.74741      0.670557  0.474224     0.680354  6.1428      155.047     1.67255     335.047     
1 1 1 9  31 11 o 23.8278 5.49112 1.92102      0.802192  1.39186      0.771426  14.1813     340.983     3.89936     160.983     
1 1 1 9  31 12 o 14.065  4.61037 0.244142     0.81865   -0.326008    0.792286  1.95804     212.002     1.9472      32.0024     
1 1 1 9  31 13 o 17.9365 4.83526 1.39828      0.707845  0.0360646    0.691233  5.27747     23.9894     1.51841     23.9894     
1 1 1 9  31 14 o 17.8979 4.97312 1.29537      0.729001  0.241057     0.715813  8.6357      337.855     1.80059     157.855     
1 1 1 9  31 15 o 14.0787 4.45357 0.380147     0.686225  -0.00576104  0.654553  2.07713     346.89      1.19131     166.89      
1 1 1 9  31 16 o 12.4308 4.09105 -0.00587257  0.639694  -0.266627    0.644752  1.29924     321.69      2.54808     141.69      
1 1 1 9  31 17 o 10.6335 3.63451 -0.726144    0.627481  -0.415558    0.596042  1.29091     89.1226     12.0389     89.1226     
1 1 1 9  31 18 o 14.4452 4.54326 0.404674     0.701737  0.19276      0.666566  4.59391     253.989     4.51148     73.9885     
1 1 1 9  31 19 o 25.4826 5.43063 1.61076      0.810127  2.29577      0.78467   20.2677     273.47      6.55414     273.47      
1 1 1 9  31 20 f 15.1468 4.6454  -0.148898    0.726496  0.829392     0.701335  8.93836     265.155     0           0           
1 1 1 9  31 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  31 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  32 0  o 18.1525 7.60887 1.50794      1.24038   1.50794      1.24038   10.1841     90          0.756544    90          
1 1 1 9  32 1  o 18.0311 5.68706 0.695516     0.956325  0.998139     1.20081   3.04001     259.46      0.906316    259.46      
1 1 1 9  32 2  o 15.0822 4.94719 0.551192     0.911843  -0.597214    1.01131   2.25879     228.77      0.578305    48.7705     
1 1 1 9  32 3  o 18.5513 5.9328  0.657152     1.26738   1.20798      1.19821   9.0015      229.202     1.36162     49.2022     
1 1 1 9  32 4  o 15.9132 5.30179 1.15758      1.23978   -1.04652     1.02115   4.48866     247.297     0.8447      67.2968     
1 1 1 9  32 5  o 18.0399 5.75715 -0.416195    1.25893   1.62197      1.18839   2.37792     170.371     19.3079     350.371     
1 1 1 9  32 6  o 17.0292 5.51168 1.2092       1.2185    0.0172022    0.943627  6.54807     343.839     0.131438    163.839     
1 1 1 9  32 7  o 15.813  5.11874 -0.0884385   1.2744    0.517031     0.751534  5.49055     322.975     1.7004      142.975     
1 1 1 9  32 8  o 23.9092 5.49044 1.7881       0.803735  1.63967      0.75365   18.2421     326.432     7.0427      326.432     
1 1 1 9  32 9  o 27.9555 5.55234 3.10345      0.933362  1.62105      0.798777  24.3831     264.362     12.0337     264.362     
1 1 1 9  32 10 o 13.9177 4.50459 0.0124402    0.778458  0.203349     0.691269  2.35018     349.039     10.8772     169.039     
1 1 1 9  32 11 o 14.4386 4.61802 0.186009     0.783568  0.283264     0.70058   2.20532     137.988     0.315201    317.988     
1 1 1 9  32 12 o 14.6045 4.6474  -0.312251    0.846997  0.599681     0.715383  4.92479     45.4087     2.51533     225.409     
1 1 1 9  32 13 o 13.3172 4.37758 0.124655     0.704758  -0.228466    0.767824  3.39338     288.713     5.55747     108.713     
1 1 1 9  32 14 o 15.4952 4.83156 0.550365     0.804686  0.377085     0.707414  5.75258     180.204     6.36336     0.204356    
1 1 1 9  32 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  32 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 9  33 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 0  0  o 422.129 5.2122  327.036      11.3972   327.036      11.3972   462.38      360         58.4965     360         
1 1 1 10 0  1  o 290.213 3.26502 154.533      4.9089    154.533      4.9089    301.113     270         6.71234     270         
1 1 1 10 0  2  o 318.179 3.00527 185.699      4.95463   185.699      4.95463   402.985     0           153.197     0           
1 1 1 10 0  3  o 685.929 4.83175 863.299      17.1758   863.299      17.1758   938.441     270         470.102     270         
1 1 1 10 0  4  o 6.43196 3.30226 -1.29246     0.610183  -1.29246     0.610183  72.7074     180         146.233     180         
1 1 1 10 0  5  o 189.933 3.10307 66.2442      3.0514    66.2442      3.0514    293.317     90          231.574     90          
1 1 1 10 0  6  o 175.711 3.09539 56.7103      2.81538   56.7103      2.81538   199.234     360         39.1784     360         
1 1 1 10 0  7  o 54.9089 3.20471 5.63993      0.89735   5.63993      0.89735   33.1072     270         138.21      270         
1 1 1 10 0  8  o 408.552 2.97921 306.118      6.30776   306.118      6.30776   549.541     360         264.204     360         
1 1 1 10 0  9  o 142.967 2.49889 37.5386      1.84933   37.5386      1.84933   138.637     89.9999     102.393     89.9999     
1 1 1 10 0  10 f 92.183  2.44513 15.6438      1.16464   15.6438      1.16464   161.111     0           0           0           
1 1 1 10 0  11 o 92.6837 2.27697 15.8045      1.09094   15.8045      1.09094   27.3429     270         126.526     90          
1 1 1 10 0  12 o 128.797 2.18659 30.4626      1.45793   30.4626      1.45793   149.651     0           54.3232     0           
1 1 1 10 0  13 o 705.436 3.48519 912.874      12.7429   912.874      12.7429   657.81      90          116.021     270         
1 1 1 10 0  14 o 169.265 2.17779 52.5776      1.90937   52.5776      1.90937   178.629     180         149.616     180         
1 1 1 10 0  15 o 450.985 2.71216 373.048      6.33924   373.048      6.33924   538.751     270         165.621     270         
1 1 1 10 0  16 o 50.7321 2.67715 4.79819      0.694799  4.79819      0.694799  5.37727     180         27.8706     180         
1 1 1 10 0  17 o 16.8092 5.62788 0.761282     0.555931  0.761282     0.555931  39.6666     90          83.4117     90          
1 1 1 10 0  18 o 196.776 2.55014 71.0875      2.59919   71.0875      2.59919   188.668     180         17.9579     8.63355e-06 
1 1 1 10 0  19 o 305.642 2.38363 171.393      3.77542   171.393      3.77542   258.234     270         96.0287     90          
1 1 1 10 0  20 o 265.346 2.31237 129.194      3.17945   129.194      3.17945   257.382     180         15.6178     8.6497e-06  
1 1 1 10 0  21 o 45.483  3.34543 3.91917      0.767432  3.91917      0.767432  15.6777     90          20.8533     270         
1 1 1 10 0  22 o 186.464 2.56999 63.865       2.48191   63.865       2.48191   213.998     0           57.3388     0           
1 1 1 10 0  23 o 96.9657 2.27605 17.3051      1.14115   17.3051      1.14115   92.4116     270         7.32768     90          
1 1 1 10 0  24 o 53.3359 2.56068 5.29197      0.700343  5.29197      0.700343  41.0688     0           9.94048     180         
1 1 1 10 0  25 o 96.7775 2.29946 17.2422      1.15058   17.2422      1.15058   79.9111     270         30.7702     90          
1 1 1 10 0  26 o 327.288 2.4625  196.646      4.17663   196.646      4.17663   370.357     0           98.2907     0           
1 1 1 10 0  27 o 169.762 2.41188 52.9522      2.12046   52.9522      2.12046   206.502     270         80.9422     270         
1 1 1 10 0  28 o 135.951 2.42632 33.9862      1.7074    33.9862      1.7074    173.358     180         81.7497     180         
1 1 1 10 0  29 o 51.1225 3.28485 4.9203       0.853108  4.9203       0.853108  27.7577     90          42.639      270         
1 1 1 10 0  30 o 60.16   2.89003 6.73994      0.89154   6.73994      0.89154   29.3973     360         22.1338     360         
1 1 1 10 0  31 o 90.3693 2.85795 15.0952      1.33266   15.0952      1.33266   84.4432     90          5.20004     270         
1 1 1 10 0  32 o 105.407 2.54986 20.4821      1.38951   20.4821      1.38951   102.868     180         3.51788     180         
1 1 1 10 0  33 o 87.8603 2.63204 14.2652      1.19381   14.2652      1.19381   49.8484     270         68.1394     90          
1 1 1 10 0  34 o 17.576  5.72404 0.836455     0.572336  0.836455     0.572336  2.43602     180         8.20116     180         
1 1 1 10 0  35 o 27.4893 5.48877 1.69675      0.677153  1.69675      0.677153  13.7432     90          8.86158     270         
1 1 1 10 0  36 o 7.79085 3.80827 -0.409671    0.521762  -0.409671    0.521762  2.98818     180         6.77088     180         
1 1 1 10 0  37 o 36.4301 3.39409 2.57846      0.610031  2.57846      0.610031  18.3647     90          31.4675     270         
1 1 1 10 0  38 o 33.0402 3.99192 2.19506      0.62381   2.19506      0.62381   28.2606     5.40367e-11 3.26125     180         
1 1 1 10 0  39 o 15.678  5.57951 0.687631     0.558909  0.687631     0.558909  0.0401669   270         7.28141     270         
1 1 1 10 0  40 o 6.35268 3.1644  -0.463905    0.41088   -0.463905    0.41088   6.54211     180         14.8161     180         
1 1 1 10 0  41 o 79.5752 2.5393  11.8019      1.04255   11.8019      1.04255   76.5208     270         6.83778     270         
1 1 1 10 0  42 o 6.16016 3.11755 -0.698447    0.459381  -0.698447    0.459381  7.81847     8.65214e-06 18.7431     8.65214e-06 
1 1 1 10 0  43 o 12.1783 4.89903 0.383468     0.481681  0.383468     0.481681  1.37625     90          3.35901     270         
1 1 1 10 0  44 o 10.75   4.66297 0.207777     0.499576  0.207777     0.499576  0.0295111   180         0.309118    8.64662e-06 
1 1 1 10 0  45 o 42.2725 3.85396 3.55047      0.805949  3.55047      0.805949  41.4383     90          6.94697     90          
1 1 1 10 0  46 o 9.44179 4.36997 -0.021745    0.529897  -0.021745    0.529897  0.219711    180         1.93021     180         
1 1 1 10 0  47 o 39.8143 3.49211 3.14203      0.69088   3.14203      0.69088   51.0426     270         31.448      270         
1 1 1 10 0  48 o 10.7854 4.7001  0.222146     0.513075  0.222146     0.513075  0.047135    180         0.198828    360         
1 1 1 10 0  49 o 20.3299 5.67077 1.13453      0.574194  1.13453      0.574194  13.6075     270         9.03815     270         
1 1 1 10 0  50 o 8.99384 4.22623 -0.0680469   0.525985  -0.0680469   0.525985  4.89637     180         22.5808     180         
1 1 1 10 0  51 o 13.7773 5.40365 0.592194     0.567527  0.592194     0.567527  7.54697     90          5.38847     270         
1 1 1 10 0  52 o 14.3219 5.56812 0.666188     0.596684  0.666188     0.596684  7.41624     360         7.58349     180         
1 1 1 10 0  53 o 15.0951 5.9869  0.787655     0.706073  0.787655     0.706073  5.17548     90          14.1046     270         
1 1 1 10 0  54 o 8.8213  4.281   -0.237816    0.631675  -0.237816    0.631675  0.486042    180         4.50764     180         
1 1 1 10 0  55 o 26.4808 5.63646 1.84467      0.674287  1.84467      0.674287  29.5531     90          15.1235     90          
1 1 1 10 0  56 o 7.87807 3.9046  -0.418622    0.602164  -0.418622    0.602164  1.19094     180         4.94625     180         
1 1 1 10 0  57 o 16.7198 6.33465 1.09474      0.752761  1.09474      0.752761  9.33422     90          0.39023     270         
1 1 1 10 0  58 o 23.391  6.9706  1.9076       0.851787  1.9076       0.851787  16.8513     180         11.7386     180         
1 1 1 10 0  59 o 5.11411 2.67196 -1.57952     0.54544   -1.57952     0.54544   1.5045      270         3.727       270         
1 1 1 10 0  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 1  0  o 102.739 2.58457 19.4227      1.37248   19.4227      1.37248   50.2136     180         103.867     360         
1 1 1 10 1  1  o 522.138 3.33782 499.744      9.03385   500.379      9.03411   507.349     14.9352     49.4        194.935     
1 1 1 10 1  2  o 217.357 2.53575 86.9442      2.86445   86.3078      2.84957   268.509     270.921     118.026     270.921     
1 1 1 10 1  3  o 263.603 2.86469 126.12       3.91252   128.741      3.91589   293.451     337.776     63.6978     337.776     
1 1 1 10 1  4  o 351.706 3.08985 224.56       5.62824   229.186      5.63763   412.048     75.8723     116.635     75.8723     
1 1 1 10 1  5  o 222.523 2.67046 93.7145      3.2267    87.9305      2.9339    295.501     343.725     166.634     343.725     
1 1 1 10 1  6  o 340.565 2.79445 212.074      4.93156   213.325      4.93479   453.205     4.53271     226.77      4.53271     
1 1 1 10 1  7  o 512.164 3.47032 478.743      8.78079   483.716      9.63011   510.208     161.668     19.5903     341.668     
1 1 1 10 1  8  o 366.242 2.75558 248.494      5.03102   243.496      5.42001   340.533     12.4093     57.392      192.409     
1 1 1 10 1  9  o 134.946 2.32248 33.3637      1.62587   33.4177      1.6233    89.3294     235.718     71.7677     55.7184     
1 1 1 10 1  10 o 97.4155 2.40765 16.7608      1.21278   18.098       1.2137    59.4637     8.57532     29.1209     188.575     
1 1 1 10 1  11 o 96.3636 2.40731 16.6753      1.20056   17.4289      1.20015   46.0631     261.891     12.1788     261.891     
1 1 1 10 1  12 o 177.807 2.24652 60.446       2.15011   55.5576      1.99193   196.54      186.085     59.6591     186.085     
1 1 1 10 1  13 o 23.1034 4.2039  1.05627      0.509415  0.979226     0.503619  54.2137     162.867     117.907     162.867     
1 1 1 10 1  14 o 155.826 2.1721  45.8642      1.7588    43.2193      1.7493    158.687     300.979     31.0293     300.979     
1 1 1 10 1  15 o 67.4518 2.41034 7.86765      0.830815  8.88272      0.847794  4.16989     121.914     8.56106     301.914     
1 1 1 10 1  16 o 183.165 2.19398 60.1253      2.07814   62.9709      2.08738   182.466     166.844     16.5999     166.844     
1 1 1 10 1  17 o 242.914 2.60653 108.027      3.27791   108.561      3.2862    265.755     190.756     57.1717     190.756     
1 1 1 10 1  18 f 76.8954 2.71445 10.6717      1.07557   11.0944      1.08131   124.86      250.312     0           0           
1 1 1 10 1  19 o 231.095 2.40803 94.8692      2.87674   101.229      2.89058   220.81      173.221     12.0796     353.222     
1 1 1 10 1  20 o 164.723 2.35684 47.6493      2.01015   52.0136      2.01181   161.887     87.3091     5.59806     87.3091     
1 1 1 10 1  21 o 62.1426 2.74345 7.60663      0.921917  6.65262      0.837382  46.1695     80.9522     0.143834    80.9521     
1 1 1 10 1  22 o 212.226 2.50488 85.6939      2.87133   79.8036      2.64064   234.369     162.301     52.7016     162.301     
1 1 1 10 1  23 o 24.6186 4.28532 1.46427      0.570977  0.874976     0.528539  45.4405     348.016     123.715     348.016     
1 1 1 10 1  24 o 195.578 2.39956 68.3777      2.42486   72.1789      2.4395    220.591     207.786     61.1625     207.786     
1 1 1 10 1  25 o 36.1532 3.22706 2.41179      0.566105  2.47609      0.615905  10.6928     348.952     74.0843     348.952     
1 1 1 10 1  26 o 78.9177 2.6133  11.8897      0.982621  11.0656      1.13687   82.9199     222.134     59.4668     222.134     
1 1 1 10 1  27 o 69.0924 2.54581 9.0634       0.884172  8.53854      0.930384  58.042      219.872     4.54395     39.8719     
1 1 1 10 1  28 o 141.96  2.34265 38.316       1.67347   35.7706      1.76814   169.972     137.769     71.1382     137.769     
1 1 1 10 1  29 o 167.951 2.28074 49.5585      1.97807   54.1663      1.99069   101.961     279.855     119.062     99.8546     
1 1 1 10 1  30 o 210.325 2.30973 84.1603      2.52906   78.5346      2.50576   193.086     330.084     17.4303     150.084     
1 1 1 10 1  31 o 181.036 2.30288 61.2916      2.16767   59.255       2.15418   206.013     291.072     68.1736     291.072     
1 1 1 10 1  32 o 90.3989 2.41412 15.4981      1.13653   14.6334      1.12155   99.8705     193.343     37.4276     193.343     
1 1 1 10 1  33 o 86.1622 2.44532 12.4877      1.07746   14.9642      1.09724   84.7831     301.133     13.7878     301.133     
1 1 1 10 1  34 o 115.007 2.43997 23.5331      1.3987    25.3059      1.50765   93.9714     179.217     26.8368     359.217     
1 1 1 10 1  35 o 64.8923 3.1796  8.30418      1.01652   7.41124      1.09942   79.2054     180.657     45.9834     180.657     
1 1 1 10 1  36 o 65.2802 3.07725 9.32128      1.04509   6.69621      1.00846   39.5223     205.876     40.6819     25.8764     
1 1 1 10 1  37 o 76.4812 2.63148 11.4986      1.01845   10.2724      1.05648   53.5062     222.961     33.5576     42.961      
1 1 1 10 1  38 o 36.1173 3.98731 2.99222      0.739263  2.09118      0.69501   17.0505     212.51      27.6691     32.5103     
1 1 1 10 1  39 o 40.1176 3.53697 3.08073      0.751626  3.08353      0.685369  27.9268     252.969     13.4874     72.9687     
1 1 1 10 1  40 o 115.187 2.69528 25.6086      1.67693   24.1252      1.53723   106.292     298.035     1.44062     298.035     
1 1 1 10 1  41 o 40.564  3.38817 2.80683      0.713381  3.55607      0.665056  31.8735     272.813     7.21613     92.8126     
1 1 1 10 1  42 o 18.0024 4.64572 0.27057      0.574296  0.796493     0.586096  6.01473     40.4671     13.6747     220.467     
1 1 1 10 1  43 o 47.6808 3.00229 4.41534      0.738359  4.28843      0.730187  35.5176     214.169     13.7563     34.1687     
1 1 1 10 1  44 o 17.3406 4.4555  0.537262     0.514224  0.526542     0.520936  7.6907      213.507     9.77502     33.5069     
1 1 1 10 1  45 f 13.9043 4.11367 -0.127344    0.525894  0.318011     0.496482  15.5491     185.256     0           0           
1 1 1 10 1  46 f 42.6886 3.53368 3.36624      0.752799  3.88391      0.779581  42.0761     88.4102     0           0           
1 1 1 10 1  47 o 41.4408 3.37493 3.17372      0.702986  3.66137      0.71793   37.9049     295.506     4.76646     295.506     
1 1 1 10 1  48 o 13.6094 4.06845 0.299417     0.505618  -0.0879302   0.500728  3.53715     312.108     9.49225     132.108     
1 1 1 10 1  49 o 13.2153 4.06383 0.242729     0.539229  -0.202768    0.517948  3.26499     356.526     10.1461     176.526     
1 1 1 10 1  50 o 16.7068 4.45453 0.303331     0.53244   0.745859     0.544418  10.6339     312.22      0.595746    132.22      
1 1 1 10 1  51 o 33.6816 4.14777 2.07409      0.687265  2.94865      0.697069  28.5546     350.47      1.16437     350.47      
1 1 1 10 1  52 o 36.8235 3.85141 3.14316      0.716701  2.77454      0.707049  39.5181     321.077     18.7532     321.077     
1 1 1 10 1  53 o 17.7573 4.71238 0.2722       0.643703  1.0923       0.614877  10.1441     343.232     4.48183     163.232     
1 1 1 10 1  54 o 11.342  3.78462 -0.131932    0.584935  -0.572887    0.586199  0.737139    114.13      15.2071     114.13      
1 1 1 10 1  55 o 14.5954 4.34719 -0.0534604   0.57696   0.702429     0.595932  4.57367     100.738     0.62952     100.738     
1 1 1 10 1  56 o 15.0574 4.59281 0.37306      0.64732   0.509713     0.659006  5.2948      84.9242     0.134396    264.924     
1 1 1 10 1  57 o 19.6001 5.0983  1.64034      0.73445   0.618288     0.718259  12.143      276.825     0.16483     276.825     
1 1 1 10 1  58 o 18.7782 5.19995 1.35594      0.754242  0.845252     0.739286  10.4047     138.732     3.79103     318.732     
1 1 1 10 1  59 o 11.7387 3.93573 -0.319677    0.650079  -0.0738015   0.638405  1.38932     294.89      1.69683     114.89      
1 1 1 10 1  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 2  0  o 474.507 3.1722  412.912      7.80095   412.912      7.80095   558.324     2.12318e-06 143.905     2.12318e-06 
1 1 1 10 2  1  o 316.735 2.71081 181.866      4.44519   186.068      4.45584   337.471     281.739     38.8842     281.739     
1 1 1 10 2  2  o 419.057 2.99707 324.466      6.5126    319.665      6.50776   402.156     318.302     45.7751     138.302     
1 1 1 10 2  3  o 484.287 2.97125 429.55       7.45326   430.699      7.46447   526.802     1.45797     69.9743     1.45797     
1 1 1 10 2  4  o 501.877 3.02249 457.394      7.85305   466.537      7.8727    604.415     128.372     190.52      128.372     
1 1 1 10 2  5  o 270.305 2.43875 131.985      3.40993   135.97       3.42381   279.077     73.6804     20.1778     73.6804     
1 1 1 10 2  6  o 268.691 2.43358 131.25       3.38663   133.507      3.39213   291.833     134.346     50.4971     134.346     
1 1 1 10 2  7  o 204.605 2.34116 75.3209      2.47444   78.2101      2.49121   154.621     102.196     92.8926     282.196     
1 1 1 10 2  8  o 341.843 2.58812 211.311      4.58051   217.292      4.59111   382.45      93.6678     79.8543     93.6678     
1 1 1 10 2  9  o 87.2191 2.29562 13.394       1.03017   14.5539      1.04101   47.8788     347.936     253.94      347.936     
1 1 1 10 2  10 o 229.801 2.29204 93.7504      2.63109   99.9662      2.83009   177.277     243.139     99.7338     63.1392     
1 1 1 10 2  11 o 126.109 2.33598 28.9985      1.52617   29.3694      1.52519   112.296     214.309     6.7643      214.309     
1 1 1 10 2  12 o 62.6983 2.65572 7.19221      0.856136  7.28098      0.862186  19.2033     311.594     123.162     311.594     
1 1 1 10 2  13 o 210.889 2.35743 81.1561      2.57544   81.9838      2.57863   217.442     181.828     26.5372     181.828     
1 1 1 10 2  14 o 241.565 2.32444 106.471      3.00685   107.595      2.80992   268.048     87.1401     64.8669     87.1401     
1 1 1 10 2  15 o 255.777 2.35015 120.96       3.22217   119.064      3.00753   222.212     134.121     59.8262     314.121     
1 1 1 10 2  16 o 55.0033 2.85496 5.69424      0.839429  5.47264      0.776974  35.9074     249.349     146.537     249.349     
1 1 1 10 2  17 o 118.632 2.5479  26.4852      1.56645   25.226       1.5629    102.255     148.66      5.16577     328.66      
1 1 1 10 2  18 o 132.827 2.92618 31.5647      1.90389   33.3119      2.11957   78.1468     214.406     95.6703     34.4055     
1 1 1 10 2  19 o 78.4853 2.99365 11.2364      1.09551   11.4628      1.3224    56.2627     240.81      14.6482     240.81      
1 1 1 10 2  20 o 82.6399 2.57697 11.3615      1.05149   13.8293      1.15035   61.2608     312.237     38.627      312.237     
1 1 1 10 2  21 o 61.7032 2.57271 7.15846      0.796324  6.87626      0.840278  47.5971     169.335     1.19121     349.335     
1 1 1 10 2  22 o 171.92  2.21635 55.449       1.97956   53.086       1.97018   177.505     305.296     20.2128     305.296     
1 1 1 10 2  23 o 64.9844 2.60289 7.56787      0.868388  8.00374      0.877724  42.7382     128.783     27.7023     308.783     
1 1 1 10 2  24 f 94.9671 2.44752 15.503       1.18816   17.716       1.21505   66.9364     2.38686     0           0           
1 1 1 10 2  25 o 164.384 2.23515 49.7897      1.90735   49.4716      1.90178   141.122     274.616     35.6001     94.6161     
1 1 1 10 2  26 o 120.551 2.26036 28.1619      1.42011   25.3044      1.40027   83.0104     50.8958     64.0181     230.896     
1 1 1 10 2  27 o 60.2599 2.55607 6.27514      0.794253  7.1373       0.792481  52.3291     190.506     8.44285     190.506     
1 1 1 10 2  28 o 178.922 2.26946 58.2194      2.10629   59.4214      2.10317   214.785     135.381     87.0855     135.381     
1 1 1 10 2  29 o 66.331  2.54105 7.63816      0.867867  8.60556      0.870718  56.4417     178.782     4.4817      358.782     
1 1 1 10 2  30 o 78.3453 2.4732  10.5153      0.99784   12.1378      1.00217   69.9447     169.184     2.13704     349.184     
1 1 1 10 2  31 o 52.9166 2.76202 5.09306      0.75532   5.27769      0.748896  30.5744     230.839     28.6754     50.8392     
1 1 1 10 2  32 o 72.7523 2.5416  11.5478      0.969223  8.1431       0.926289  48.5506     206.675     33.9432     26.6754     
1 1 1 10 2  33 o 157.548 2.31902 44.8923      1.88953   46.5309      1.89788   162.399     338.974     28.5421     338.974     
1 1 1 10 2  34 o 173.097 2.32208 56.8139      2.09471   53.6646      2.07166   155.555     244.589     15.1421     64.5893     
1 1 1 10 2  35 o 29.1956 4.57119 1.28906      0.683682  2.05819      0.672224  1.49292     209.421     51.2806     209.421     
1 1 1 10 2  36 o 195.06  2.5318  70.7709      2.55746   70.0756      2.56234   182.464     310.94      0.885403    130.941     
1 1 1 10 2  37 o 85.7185 2.62389 13.713       1.16775   13.6061      1.15847   83.2567     320.326     9.22528     320.326     
1 1 1 10 2  38 o 66.9798 2.699   8.27781      0.908823  8.47457      0.957395  58.2083     26.0009     4.73372     206.001     
1 1 1 10 2  39 o 46.2628 2.90264 4.42319      0.701002  3.66354      0.673888  38.7658     68.1137     3.49158     248.114     
1 1 1 10 2  40 o 23.7347 4.40888 1.5163       0.567258  0.74216      0.569845  10.3355     58.6207     15.9083     238.621     
1 1 1 10 2  41 f 60.151  2.90588 6.78814      0.902463  6.92225      0.898625  38.404      275.624     0           0           
1 1 1 10 2  42 o 24.5308 4.75749 1.29686      0.63062   1.18681      0.615908  20.8351     255.058     9.00486     255.058     
1 1 1 10 2  43 f 45.5055 3.17171 4.15604      0.715698  3.82091      0.75686   31.5777     270.358     0           0           
1 1 1 10 2  44 f 22.9054 4.70448 0.680829     0.627475  1.46975      0.610771  10.9068     203.187     0           0           
1 1 1 10 2  45 o 55.2234 3.1107  6.3661       0.898924  5.46741      0.865282  51.919      335.332     6.60154     335.332     
1 1 1 10 2  46 o 19.4276 4.20195 1.40825      0.576331  -0.0310645   0.522572  10.8574     210.872     7.74739     30.8717     
1 1 1 10 2  47 o 15.3064 4.44937 0.518163     0.60345   -0.0516576   0.560635  6.42506     153.786     2.12379     333.786     
1 1 1 10 2  48 o 19.9045 4.474   1.51735      0.653489  0.0694579    0.533552  13.2746     264.556     2.87111     84.5556     
1 1 1 10 2  49 o 32.8402 4.09805 1.7191       0.646921  2.92878      0.681846  17.3779     27.7388     20.8186     207.739     
1 1 1 10 2  50 f 37.2845 3.87719 3.68122      0.725456  2.2693       0.696026  30.5679     98.1618     0           0           
1 1 1 10 2  51 o 15.8235 4.43879 0.580224     0.551028  0.318079     0.542142  8.58394     2.14419     4.79054     182.144     
1 1 1 10 2  52 o 37.6908 3.93056 3.50258      0.756132  2.75602      0.726624  34.3027     17.5465     6.12813     17.5465     
1 1 1 10 2  53 o 18.349  4.95637 1.0497       0.682354  0.576258     0.648504  6.96172     56.5566     13.4574     236.557     
1 1 1 10 2  54 o 28.2145 5.12571 1.83059      0.751379  2.4007       0.767226  21.0904     115.72      2.2689      295.72      
1 1 1 10 2  55 o 13.2924 4.23232 0.207974     0.637238  0.00667345   0.588816  4.45519     263.837     2.07109     83.837      
1 1 1 10 2  56 o 18.6609 4.97713 0.911186     0.646613  1.06353      0.668014  10.4568     157.999     4.46692     337.999     
1 1 1 10 2  57 o 23.5929 4.88237 0.724969     0.694822  2.51084      0.754175  18.8177     34.4098     10.2864     34.4098     
1 1 1 10 2  58 o 10.8523 3.72948 -0.687998    0.702575  -0.472877    0.629553  0.558622    187.811     4.04317     7.81114     
1 1 1 10 2  59 o 18.8399 4.9751  1.71746      0.728019  0.426782     0.717248  9.50665     207.099     7.34819     27.0988     
1 1 1 10 2  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 3  0  o 201.092 2.17513 74.1762      2.26612   74.1762      2.26612   220.788     5.44606e-06 29.901      5.44606e-06 
1 1 1 10 3  1  o 40.5433 3.18023 2.32658      0.637051  3.87931      0.6379    53.1025     196.798     141.492     196.798     
1 1 1 10 3  2  o 315.932 2.35224 182.684      3.8537    183.332      3.85065   312.461     235.946     9.53436     55.9458     
1 1 1 10 3  3  o 251.594 2.24089 114.791      2.92313   117.327      2.92157   332.063     127.806     174.696     127.806     
1 1 1 10 3  4  o 438.391 2.65092 353.366      6.0274    351.481      6.02068   456.911     322.949     26.2939     322.949     
1 1 1 10 3  5  o 320.331 2.36676 189.756      3.93444   186.54       3.92526   327.378     245.379     12.444      245.379     
1 1 1 10 3  6  o 137.879 2.31512 34.9885      1.65567   34.7258      1.65359   146.156     147.064     65.2752     147.064     
1 1 1 10 3  7  o 124.799 2.42759 29.8817      1.63529   27.3085      1.50336   91.179      203.733     41.073      23.7334     
1 1 1 10 3  8  o 673.024 3.75782 821.407      13.58     841.176      12.6086   714.907     248.24      63.5231     248.24      
1 1 1 10 3  9  o 214.861 2.43944 85.2115      2.81374   84.1047      2.61776   223.081     176.136     28.3177     176.136     
1 1 1 10 3  10 o 386.364 2.60978 283.315      5.4199    264.416      5.03511   434.466     274.85      94.0451     274.85      
1 1 1 10 3  11 o 358.534 2.55292 235.081      4.58792   236.463      4.89708   337.28      186.098     44.0274     6.09816     
1 1 1 10 3  12 f 203.4   2.38161 76.0142      2.31541   75.742       2.69179   257.655     358.752     0           0           
1 1 1 10 3  13 o 55.956  2.95984 6.89626      0.813888  4.75951      0.85729   3.34698     293.679     31.9224     293.679     
1 1 1 10 3  14 o 205.114 2.45224 77.6559      2.50894   76.7046      2.70082   218.217     159.997     42.1559     159.997     
1 1 1 10 3  15 o 75.6393 2.51899 11.2499      0.990343  9.8157       0.976756  18.9235     351.697     65.8221     171.697     
1 1 1 10 3  16 o 45.9197 2.96389 3.87302      0.695589  3.93381      0.699848  13.7452     209.829     54.4505     209.829     
1 1 1 10 3  17 o 118.001 2.53176 28.0118      1.55927   23.2572      1.52703   124.81      287.971     60.4786     287.971     
1 1 1 10 3  18 o 186.181 2.53473 64.8955      2.46396   62.3781      2.42835   258.246     43.261      170.019     43.261      
1 1 1 10 3  19 o 144.448 2.53946 36.092       1.89676   40.6182      1.89947   85.4051     122.047     108.381     302.047     
1 1 1 10 3  20 o 123.856 2.29061 28.8857      1.42158   27.4634      1.51358   125.342     189.515     16.8047     189.515     
1 1 1 10 3  21 o 21.6314 4.13862 0.840027     0.488367  0.939971     0.463644  10.9442     94.4082     30.2314     94.4082     
1 1 1 10 3  22 o 75.9346 2.38546 11.4957      0.941185  9.7599       0.928205  51.2889     46.215      35.7169     226.215     
1 1 1 10 3  23 o 82.489  2.3382  11.9242      0.994237  13.1246      0.999782  69.3802     137.201     11.3247     317.201     
1 1 1 10 3  24 o 210.388 2.42651 83.2283      2.64888   79.4367      2.64272   218.558     237.06      27.5978     237.06      
1 1 1 10 3  25 o 43.37   3.12668 4.12633      0.688921  2.92164      0.680054  5.57616     175.118     55.5288     355.118     
1 1 1 10 3  26 o 160.09  2.24543 47.1835      1.8685    46.9738      1.85822   184.776     185.043     63.4886     185.043     
1 1 1 10 3  27 f 84.9079 2.3656  13.1539      1.04043   13.3831      1.03774   82.1104     162.365     0           0           
1 1 1 10 3  28 o 110.644 2.31376 21.3121      1.31532   23.7525      1.33377   129.599     241.83      53.732      241.83      
1 1 1 10 3  29 o 178.223 2.28025 59.5798      2.11412   57.1884      2.09864   153.592     264.04      34.6227     84.0401     
1 1 1 10 3  30 o 53.6607 2.73883 5.68718      0.768542  4.98149      0.743662  39.8242     143.496     9.26818     323.496     
1 1 1 10 3  31 o 95.7965 2.38454 17.0192      1.18613   16.7885      1.17835   67.859      199.035     42.2802     19.0352     
1 1 1 10 3  32 o 64.7843 2.57315 8.14813      0.868631  7.37386      0.85172   65.2697     359.325     24.8617     359.325     
1 1 1 10 3  33 o 49.9538 2.82797 5.05144      0.736026  4.23855      0.713533  2.94411     311.427     82.6215     131.427     
1 1 1 10 3  34 f 131.417 2.33409 30.2879      1.5816    33.4597      1.59459   136.6       7.573       0           0           
1 1 1 10 3  35 o 63.9064 3.07909 8.18517      1.02586   7.06451      0.999321  40.1091     214.65      36.866      34.6504     
1 1 1 10 3  36 o 62.0627 3.01913 7.39135      0.964638  6.99952      0.965455  28.2759     17.5201     57.1273     197.52      
1 1 1 10 3  37 o 36.769  3.48513 2.54462      0.64446   2.60786      0.650593  19.4656     232.223     23.9696     52.2235     
1 1 1 10 3  38 o 58.1415 2.71421 6.34576      0.812844  6.2986       0.814015  70.0759     235.504     39.4973     235.504     
1 1 1 10 3  39 o 100.872 2.44269 19.9884      1.28454   17.9565      1.26433   98.2286     170.376     11.7668     170.376     
1 1 1 10 3  40 o 61.1368 2.81208 6.46913      0.849662  7.64389      0.922907  66.3901     336.763     23.7408     336.763     
1 1 1 10 3  41 o 27.7991 4.68764 1.72549      0.682176  1.44292      0.651459  20.1837     293.94      4.68155     113.94      
1 1 1 10 3  42 o 14.2862 4.26455 -0.0238326   0.549015  0.207533     0.540888  2.52404     259.999     3.23518     79.9987     
1 1 1 10 3  43 o 41.6371 3.39421 3.71275      0.740857  3.04226      0.695183  31.9021     84.8323     9.50414     264.832     
1 1 1 10 3  44 o 41.4688 3.34588 3.0879       0.723841  3.63164      0.677647  34.2718     142.714     3.9113      322.714     
1 1 1 10 3  45 o 41.5487 3.27501 3.26085      0.690105  3.50624      0.695927  41.6704     349.813     11.7336     349.813     
1 1 1 10 3  46 o 42.1046 3.34644 4.59368      0.730315  2.54298      0.664828  34.1777     96.377      4.49584     276.377     
1 1 1 10 3  47 o 60.8979 3.27717 7.71712      0.982332  6.91887      1.06061   57.5054     4.99173     8.84136     4.99173     
1 1 1 10 3  48 o 27.6029 4.48621 1.87214      0.607824  1.43347      0.654935  24.5394     275.083     4.81108     275.083     
1 1 1 10 3  49 o 14.214  4.19061 -0.0641575   0.532824  0.415656     0.52287   6.12603     111.807     4.33492     291.807     
1 1 1 10 3  50 o 23.8307 4.73801 1.65215      0.620274  0.977201     0.635967  21.1071     253.065     5.60514     253.065     
1 1 1 10 3  51 o 48.7353 3.58863 4.79816      0.905606  5.22796      0.876504  45.5741     59.6787     8.6138      59.6787     
1 1 1 10 3  52 o 20.4691 4.9288  1.4025       0.660072  0.642325     0.648978  14.0293     358.478     8.93185     358.478     
1 1 1 10 3  53 o 45.8804 3.84149 4.21218      0.89059   5.15787      0.888061  48.2223     69.6473     20.8581     69.6473     
1 1 1 10 3  54 o 26.6159 5.18556 2.71413      0.82512   1.23321      0.733945  24.2657     259.81      8.60337     259.81      
1 1 1 10 3  55 o 28.1324 5.32308 2.35814      0.848162  2.0878       0.735669  20.9288     266.51      2.15173     86.5102     
1 1 1 10 3  56 o 35.7243 4.34167 2.59283      0.760493  3.72006      0.772083  37.2323     81.1909     19.1313     81.1909     
1 1 1 10 3  57 o 13.8881 4.33583 0.145728     0.610874  0.401916     0.617445  3.47643     65.7675     3.44552     245.768     
1 1 1 10 3  58 o 12.2607 4.11799 -0.325109    0.728823  -0.104007    0.694383  2.11618     171.349     4.20803     351.349     
1 1 1 10 3  59 o 16.3272 4.48219 -0.946853    0.668559  1.67951      0.72765   7.42672     167.477     2.4241      167.477     
1 1 1 10 3  60 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 4  0  o 80.0156 2.42856 11.8014      1.00306   11.8014      1.00306   31.2413     9.10578e-06 56.9025     180         
1 1 1 10 4  1  o 364.216 2.54469 241.935      4.95254   244.56       4.64942   384.381     44.9273     35.6946     44.9273     
1 1 1 10 4  2  o 405.814 2.7566  306.482      6.20144   297.577      5.37783   409.103     230.292     1.41372     50.2917     
1 1 1 10 4  3  o 543.736 3.0631  536.458      8.90656   548.119      8.34415   646.262     34.2529     190.501     34.2529     
1 1 1 10 4  4  o 372.609 2.64738 254.524      5.1184    254.682      5.10815   405.596     354.864     61.7996     354.864     
1 1 1 10 4  5  o 389.846 2.62208 283.109      5.12565   274.335      5.4602    320.182     48.0494     146.796     228.049     
1 1 1 10 4  6  o 248.734 2.41704 115.837      2.8948    111.084      3.314     281.054     252.888     73.6747     252.888     
1 1 1 10 4  7  f 302.559 2.60312 171.805      3.92987   164          4.22162   337.338     130.587     0           0           
1 1 1 10 4  8  o 443.11  2.85666 366.934      6.57315   353.427      6.54849   403.898     193.433     86.318      13.4327     
1 1 1 10 4  9  o 474.401 2.94412 418.937      7.25334   406.825      7.22562   532.134     298.197     108.667     298.197     
1 1 1 10 4  10 o 419.921 2.61188 327.738      5.69495   319.155      5.67507   454.841     253.837     66.5769     253.837     
1 1 1 10 4  11 o 417.465 2.60961 323.123      5.65441   316.268      5.6395    544.189     325.657     254.494     325.657     
1 1 1 10 4  12 o 172.575 2.16934 55.5088      1.94611   53.7353      1.93487   215.952     265.386     124.006     265.386     
1 1 1 10 4  13 o 128.806 2.17222 30.0436      1.45102   30.817       1.44947   130.229     199.114     72.3326     199.114     
1 1 1 10 4  14 o 264.711 2.4459  132.039      3.3632    125.117      3.34768   327.338     129.893     139.174     129.893     
1 1 1 10 4  15 o 130.914 2.6379  31.5943      1.71502   31.3616      1.85806   140.2       234.549     84.3158     234.549     
1 1 1 10 4  16 o 191.573 2.76327 67.8629      2.74927   66.8837      2.73873   195.67      142.344     22.9255     142.344     
1 1 1 10 4  17 o 278.981 2.67159 140.332      3.86456   145.468      3.86133   294.982     346.815     40.0472     346.815     
1 1 1 10 4  18 o 191.12  2.36643 65.0783      2.33982   69.0401      2.34767   171.569     1.18367     29.1865     181.184     
1 1 1 10 4  19 o 114.352 2.37289 24.2809      1.40985   23.7718      1.40016   71.428      106.067     74.3825     286.067     
1 1 1 10 4  20 o 99.2723 2.2545  17.7511      1.16004   18.471       1.1568    71.684      308.729     44.3222     128.729     
1 1 1 10 4  21 o 87.7488 2.29387 13.9138      1.03775   14.4014      1.04529   80.021      320.479     0.892427    140.479     
1 1 1 10 4  22 o 194.398 2.23231 67.7903      2.24277   71.0085      2.25551   207.127     132.226     35.3577     132.226     
1 1 1 10 4  23 o 55.8887 2.56494 5.97154      0.745957  5.55967      0.731863  16.9802     218.764     62.8753     38.7641     
1 1 1 10 4  24 o 100.68  2.27662 19.0081      1.19247   18.2703      1.18059   95.6649     223.631     4.26204     223.631     
1 1 1 10 4  25 o 149.851 2.41123 43.0292      1.87824   39.53        1.86565   115.889     137.022     56.6389     317.022     
1 1 1 10 4  26 o 73.4561 2.61205 9.82455      0.986573  10.0666      0.996187  70.6581     174.592     13.8277     174.592     
1 1 1 10 4  27 o 68.5359 2.48759 8.90956      0.880213  8.4078       0.880769  28.2081     238.535     68.9156     58.535      
1 1 1 10 4  28 o 47.3081 2.83447 4.69517      0.696908  3.63488      0.673603  28.9965     48.0266     11.4502     48.0266     
1 1 1 10 4  29 o 47.7788 2.86143 3.86903      0.699427  4.61316      0.699972  23.6051     14.3563     11.963      14.3563     
1 1 1 10 4  30 o 26.909  4.01682 1.72185      0.558284  1.08286      0.530959  4.97014     273.998     37.5848     273.998     
1 1 1 10 4  31 o 135.29  2.29937 33.395       1.61085   33.9488      1.61413   137.311     270.217     20.8472     270.217     
1 1 1 10 4  32 o 11.9302 3.72494 -0.369366    0.463964  0.0184702    0.456821  18.2693     354.627     41.0459     354.627     
1 1 1 10 4  33 o 99.5294 2.39658 17.1231      1.23026   19.4712      1.23542   89.4957     335.584     4.98039     155.584     
1 1 1 10 4  34 o 41.1964 3.07228 2.98926      0.643977  3.37424      0.646335  25.4551     319.853     18.0823     139.853     
1 1 1 10 4  35 o 76.7706 3.15596 11.2497      1.26012   10.7358      1.24071   81.2639     297.594     22.2886     297.594     
1 1 1 10 4  36 o 69.9967 2.94541 9.76128      1.07305   8.5419       1.05219   67.161      28.9441     7.1796      28.944      
1 1 1 10 4  37 o 33.27   3.50689 1.84993      0.584512  2.40668      0.578677  26.9911     169.53      3.44632     169.53      
1 1 1 10 4  38 o 95.1638 2.43547 17.907       1.2117    15.8177      1.18507   97.4955     86.6146     20.9105     86.6146     
1 1 1 10 4  39 o 46.2296 2.92158 4.34656      0.703338  3.7412       0.680417  42.9641     71.2446     5.31722     71.2446     
1 1 1 10 4  40 o 19.467  4.24983 0.411836     0.490684  1.02887      0.497169  8.74377     206.958     3.41831     26.9584     
1 1 1 10 4  41 o 69.6083 2.95735 8.93484      1.02371   9.46627      1.10072   74.0659     330.361     23.1358     330.361     
1 1 1 10 4  42 o 18.1421 5.04981 0.529274     0.696441  0.402325     0.699527  5.06989     39.6519     17.263      219.652     
1 1 1 10 4  43 o 39.1742 3.5646  2.92304      0.716398  3.09283      0.696123  26.6867     284.154     15.3646     104.154     
1 1 1 10 4  44 o 25.5121 4.23827 1.81521      0.576133  0.907156     0.551971  22.3347     100.894     4.15147     100.894     
1 1 1 10 4  45 o 52.0285 3.01052 6.59913      0.812868  4.03209      0.765402  59.0253     258.628     27.6237     258.628     
1 1 1 10 4  46 o 18.2058 4.4986  0.543509     0.534082  0.747792     0.518568  8.24649     161.411     10.656      341.411     
1 1 1 10 4  47 o 47.2823 3.27859 5.27609      0.833961  3.65066      0.743824  42.747      247.319     3.99527     247.319     
1 1 1 10 4  48 o 44.2696 3.63876 3.11142      0.788241  4.95124      0.808395  43.5283     202.363     11.6469     202.363     
1 1 1 10 4  49 o 18.511  3.98391 -0.443434    0.547336  1.47578      0.563278  13.7955     17.9075     1.81669     17.9075     
1 1 1 10 4  50 o 36.1779 3.84298 2.87252      0.705315  2.69495      0.691324  31.6059     179.1       2.67371     179.1       
1 1 1 10 4  51 o 40.7694 3.58071 3.80655      0.748199  3.24925      0.729207  34.1352     84.5681     0.310062    264.568     
1 1 1 10 4  52 o 50.9321 3.30917 5.19023      0.864012  5.69712      0.861474  54.7669     98.4016     24.4011     98.4016     
1 1 1 10 4  53 o 11.9121 3.89647 -0.319648    0.581742  -0.0507261   0.559738  2.00305     4.73413     2.97294     184.734     
1 1 1 10 4  54 o 19.2365 5.26484 1.02847      0.724083  1.01357      0.772383  10.453      5.88159     6.87709     185.882     
1 1 1 10 4  55 o 14.6316 4.4628  0.142844     0.588505  0.579919     0.651254  6.27063     248.947     4.41362     68.9472     
1 1 1 10 4  56 o 9.96614 3.42111 -0.358194    0.566754  -0.832989    0.540657  1.43911     359.295     11.1592     359.295     
1 1 1 10 4  57 o 8.50291 3.01099 -1.36203     0.596946  -1.0565      0.533156  2.3419      338.507     9.34224     338.507     
1 1 1 10 4  58 o 13.0201 4.2792  0.388803     0.691792  -0.555098    0.761714  3.25861     145.207     3.94887     325.207     
1 1 1 10 4  59 o 11.88   4.04174 -0.107446    0.766815  -0.539692    0.687298  2.60142     313.877     3.98159     133.877     
1 1 1 10 5  0  o 254.163 2.38423 118.482      3.13992   118.482      3.13992   348.374     6.48888e-06 178.539     6.48888e-06 
1 1 1 10 5  1  o 411.831 2.86749 302.94       6.32547   319.304      5.89526   442.731     268.081     55.7485     268.081     
1 1 1 10 5  2  o 642.697 3.37964 761.521      11.628    754.123      10.8814   710.839     352.186     118.059     352.186     
1 1 1 10 5  3  o 204.599 2.25322 76.5367      2.31637   76.9727      2.46117   169.812     229.692     60.4624     49.6924     
1 1 1 10 5  4  o 261.979 2.33149 125.619      3.06179   126.079      3.26752   224.449     317.784     71.7869     137.784     
1 1 1 10 5  5  f 318.042 2.54799 190.294      3.90722   180.764      4.4595    251.228     175.888     0           0           
1 1 1 10 5  6  f 154.902 2.21687 44.0888      1.73179   43.9063      1.82682   193.213     11.5904     0           0           
1 1 1 10 5  7  o 251.882 2.32227 118.852      3.14263   113.862      2.9212    227.208     129.72      43.665      309.72      
1 1 1 10 5  8  o 280.285 2.4508  148.331      3.5746    139.886      3.54534   341.253     70.0625     131.132     70.0625     
1 1 1 10 5  9  f 100.1   2.39637 16.9692      1.23684   19.8843      1.24076   105.265     79.7787     0           0           
1 1 1 10 5  10 o 229.45  2.2929  95.7956      2.63261   97.3197      2.81976   182.409     276.816     86.4476     96.8159     
1 1 1 10 5  11 o 36.3073 3.09113 2.63573      0.581504  2.27932      0.557541  49.4077     38.4257     125.95      38.4257     
1 1 1 10 5  12 o 273.909 2.28994 136.88       3.25196   138.356      3.25062   246.227     318.801     48.8543     138.801     
1 1 1 10 5  13 o 235.226 2.23061 102.557      2.7246    100.439      2.71491   208.883     121.414     42.7462     301.414     
1 1 1 10 5  14 o 64.2252 2.7349  7.91885      0.914297  7.28395      0.897642  5.37585     153.246     99.1122     153.246     
1 1 1 10 5  15 o 301.076 2.84584 169.943      4.24108   162.934      4.62378   388.62      23.2995     186.436     23.2995     
1 1 1 10 5  16 o 31.7145 4.21527 2.65198      0.678398  1.2693       0.645997  43.4182     112.49      113.04      112.49      
1 1 1 10 5  17 o 48.7298 2.8771  4.13906      0.7201    4.652        0.717874  1.07689     116.101     5.72139     296.101     
1 1 1 10 5  18 o 194.978 2.45581 72.4065      2.59293   67.2323      2.37189   179.441     329.211     22.0626     149.211     
1 1 1 10 5  19 o 170.806 2.35531 52.1536      2.08382   54.9892      2.08588   185.577     195.492     39.5204     195.492     
1 1 1 10 5  20 o 219.732 2.24742 91.0228      2.56997   86.2853      2.54879   272.765     132.653     115.776     132.653     
1 1 1 10 5  21 o 86.667  2.31815 13.4286      1.04113   14.2021      1.03721   46.6661     88.5821     69.2981     268.582     
1 1 1 10 5  22 o 246.608 2.29382 114.386      2.94141   109.025      2.92221   231.597     78.9458     19.868      258.946     
1 1 1 10 5  23 o 41.2146 2.8353  2.90857      0.60017   3.4073       0.591788  6.3758      358.756     45.5717     178.756     
1 1 1 10 5  24 o 232.491 2.28921 97.6365      2.7546    100.958      2.76259   262.87      234.012     74.503      234.012     
1 1 1 10 5  25 o 83.4175 2.36578 14.1426      1.03068   11.5356      1.00541   81.0505     183.915     12.4384     183.915     
1 1 1 10 5  26 o 70.6886 2.63945 9.36802      0.961087  9.06027      0.966048  51.393      207.985     23.866      27.9847     
1 1 1 10 5  27 o 280.544 2.56324 145.612      3.71934   143.827      3.73551   311.017     157.109     79.9315     157.109     
1 1 1 10 5  28 o 42.136  3.02166 3.09928      0.651536  3.51335      0.647505  5.16319     162.322     60.5495     342.322     
1 1 1 10 5  29 o 60.3348 2.60568 6.6212       0.813015  6.82646      0.808845  61.0507     304.268     30.6805     304.268     
1 1 1 10 5  30 o 114.555 2.33756 23.7111      1.38757   24.6069      1.38524   110.291     254.291     6.93344     254.291     
1 1 1 10 5  31 o 116.087 2.326   24.5903      1.4011    25.0516      1.39524   120.12      336.681     25.2207     336.681     
1 1 1 10 5  32 o 58.8174 2.65857 6.0592       0.801083  6.7625       0.810067  50.1116     197.298     0.464601    197.298     
1 1 1 10 5  33 o 115.602 2.35028 25.4146      1.41369   23.9104      1.39952   122.052     1.4735      29.4777     1.4735      
1 1 1 10 5  34 o 12.2901 3.74991 -0.563414    0.507045  0.188101     0.433544  7.82839     346.427     21.3727     346.427     
1 1 1 10 5  35 o 13.1796 4.08063 -0.2719      0.551382  0.0219376    0.522293  7.21376     220.159     23.1549     220.159     
1 1 1 10 5  36 o 121.138 2.44881 26.2997      1.47908   28.1285      1.59352   115.955     17.4466     7.33799     17.4467     
1 1 1 10 5  37 f 91.0092 2.44298 16.3556      1.16318   14.457       1.13576   67.8728     12.1497     0           0           
1 1 1 10 5  38 o 108.405 2.40759 22.5193      1.35989   21.2206      1.34208   126.824     15.1795     55.4267     15.1795     
1 1 1 10 5  39 o 46.7912 2.94013 4.57109      0.70973   3.73721      0.696646  42.6362     61.8683     3.22988     61.8683     
1 1 1 10 5  40 o 108.783 2.44306 20.4592      1.35959   23.9054      1.3877    105.093     1.99814     11.9516     1.99814     
1 1 1 10 5  41 o 41.3849 3.45959 3.92536      0.737125  2.76817      0.702989  40.503      201.63      9.2068      201.63      
1 1 1 10 5  42 o 30.0894 4.78515 1.52063      0.71933   2.24919      0.745224  28.5634     99.9373     7.6273      99.9373     
1 1 1 10 5  43 o 13.8162 4.02872 0.438808     0.52029   -0.263239    0.463303  1.06673     24.58       22.1012     24.5799     
1 1 1 10 5  44 o 28.257  4.08702 2.51045      0.610445  0.889004     0.56926   24.358      12.9573     2.22104     12.9573     
1 1 1 10 5  45 o 15.5091 4.25383 0.57098      0.523065  0.122994     0.476374  1.55759     217.597     19.9804     37.5965     
1 1 1 10 5  46 o 19.8028 4.41669 1.18895      0.547649  0.396256     0.532118  8.16464     312.3       14.6963     132.3       
1 1 1 10 5  47 o 14.9824 4.22953 0.14804      0.518919  0.442952     0.488249  4.29664     346.262     0.04382     346.262     
1 1 1 10 5  48 o 41.3638 3.76074 4.04434      0.783425  3.03375      0.775025  40.8388     336.828     11.7102     336.828     
1 1 1 10 5  49 o 11.7498 3.79173 -0.381023    0.500834  -0.0239199   0.531297  1.94505     94.5993     1.62959     274.599     
1 1 1 10 5  50 o 35.1209 3.94468 2.77333      0.695109  2.54507      0.692168  28.5574     242.904     1.56783     62.9041     
1 1 1 10 5  51 o 18.785  4.55455 1.28382      0.604906  0.283463     0.557298  14.7097     100.473     3.75644     100.473     
1 1 1 10 5  52 o 36.4502 4.22667 3.63061      0.803846  2.47941      0.729532  34.5643     250.943     9.65739     250.943     
1 1 1 10 5  53 o 14.1357 4.37586 0.514104     0.659728  -0.123689    0.579224  4.56597     204.241     0.757575    24.2405     
1 1 1 10 5  54 o 12.133  3.97634 -0.71586     0.612993  0.216578     0.619361  2.85459     240.44      3.55836     60.4404     
1 1 1 10 5  55 o 12.4782 4.00866 0.317314     0.593246  -0.365376    0.561781  2.88092     36.4922     3.10133     216.492     
1 1 1 10 5  56 o 17.8421 4.73139 1.29908      0.644837  0.377344     0.618051  9.97901     336.535     0.1847      156.535     
1 1 1 10 5  57 o 13.2261 4.24564 -0.196725    0.654209  0.373329     0.636056  3.04236     320.849     5.2231      140.849     
1 1 1 10 5  58 o 24.0972 5.21751 1.56983      0.721074  2.04224      0.722559  19.8004     58.6927     5.89866     58.6927     
1 1 1 10 5  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 6  0  o 489.766 2.77982 439.871      7.05625   439.871      7.05625   569.674     180         143.584     180         
1 1 1 10 6  1  o 206.454 2.16725 79.1843      2.3244    77.1293      2.31408   134.062     61.0955     137.661     241.095     
1 1 1 10 6  2  o 269.27  2.26388 132.699      3.16207   133.209      3.1577    352.828     148.278     180.334     148.278     
1 1 1 10 6  3  o 307.955 2.33741 175.377      3.73579   172.447      3.72656   445.958     49.7309     290.479     49.7309     
1 1 1 10 6  4  o 236.76  2.2145  101.645      2.71613   103.938      2.7192    256.299     227.094     49.961      227.094     
1 1 1 10 6  5  o 382.772 2.50965 266.889      4.98018   270.544      4.97859   396.56      218.177     26.1293     218.177     
1 1 1 10 6  6  o 401.184 2.64308 296.862      5.6785    293.586      5.31018   442.721     60.104      81.8587     60.104      
1 1 1 10 6  7  o 111.355 2.26811 22.2983      1.34877   23.2249      1.26331   64.7299     228.933     66.2237     48.9327     
1 1 1 10 6  8  o 348.114 2.84178 222.174      5.53012   222.505      4.69055   331.895     138.637     31.0793     318.637     
1 1 1 10 6  9  o 220.594 2.44823 89.8508      2.90279   88.6722      2.69352   287.032     109.222     155.824     109.222     
1 1 1 10 6  10 o 93.192  2.43052 15.4429      1.09349   16.4712      1.24958   30.5716     165.435     96.398      345.435     
1 1 1 10 6  11 o 307.267 2.43625 172.708      3.75573   173.703      4.0017    310.876     193.661     13.6916     193.661     
1 1 1 10 6  12 o 223.717 2.35956 93.6898      2.74775   89.9676      2.72438   269.418     108.671     109.797     108.671     
1 1 1 10 6  13 o 167.101 2.40252 50.641       2.00956   51.8296      2.1515    116.557     280.739     87.6274     100.739     
1 1 1 10 6  14 o 69.3234 2.65547 8.42891      0.953157  9.27534      0.946086  45.3349     192.713     212.227     192.713     
1 1 1 10 6  15 o 188.058 2.50557 66.5575      2.45339   63.2931      2.43093   164.628     126.988     35.4772     306.988     
1 1 1 10 6  16 o 113.543 2.35326 24.7879      1.38738   22.6028      1.37789   108.832     106.254     12.6352     106.254     
1 1 1 10 6  17 o 109.599 2.38288 22.8173      1.35765   21.3384      1.34586   123.408     258.91      52.6177     258.91      
1 1 1 10 6  18 o 51.4239 3.05354 5.17437      0.819187  4.62263      0.792915  0.209137    189.527     87.1981     189.527     
1 1 1 10 6  19 o 84.7777 2.59843 12.4908      1.18224   13.9838      1.08553   70.8528     170.343     13.868      350.343     
1 1 1 10 6  20 o 67.3616 2.40934 7.97013      0.834104  8.74868      0.841926  31.8822     91.6398     57.6419     271.64      
1 1 1 10 6  21 o 47.0583 2.71623 4.05611      0.651162  4.13828      0.662482  13.634      139.262     46.2755     319.262     
1 1 1 10 6  22 o 74.93   2.35871 9.68836      0.908536  11.0001      0.916809  67.0337     157.801     3.02721     157.801     
1 1 1 10 6  23 o 23.2734 4.04961 1.00809      0.489208  1.07047      0.481389  33.1409     47.2243     91.9466     47.2243     
1 1 1 10 6  24 o 86.5187 2.32327 13.5519      1.04218   13.9936      1.03761   86.5978     225.504     17.6144     225.504     
1 1 1 10 6  25 o 143.69  2.24307 38.0578      1.67575   37.7999      1.66566   178.765     326.922     86.2422     326.922     
1 1 1 10 6  26 o 136.492 2.25464 33.7428      1.5987    34.7168      1.59134   152.945     165.223     47.6186     165.223     
1 1 1 10 6  27 o 41.1041 3.26725 2.77848      0.684443  3.55041      0.671904  21.1401     233.149     15.8798     53.1493     
1 1 1 10 6  28 o 155.916 2.44777 44.9521      1.97414   44.4615      1.98235   150.924     116.361     5.28268     116.361     
1 1 1 10 6  29 o 186.093 2.36499 63.172       2.35113   64.216       2.20798   190.347     323.499     26.7477     323.499     
1 1 1 10 6  30 o 100.621 2.35269 17.5167      1.22196   19.8182      1.22551   133.527     176.289     90.4673     176.289     
1 1 1 10 6  31 o 156.115 2.29977 46.3623      1.86671   43.3911      1.85425   162.932     316.612     32.7604     316.612     
1 1 1 10 6  32 o 103.004 2.36575 19.342       1.26295   19.8041      1.25982   103.874     48.4662     17.8189     48.4661     
1 1 1 10 6  33 o 73.9892 2.50003 9.27298      0.948647  11.024       0.958719  72.6037     132.098     11.2345     132.098     
1 1 1 10 6  34 o 61.5521 3.02126 6.21064      0.950328  7.97608      0.953585  47.7823     176.951     16.2612     356.951     
1 1 1 10 6  35 o 39.1376 3.77892 3.23583      0.753322  2.62536      0.734384  19.0477     285.246     29.9019     105.246     
1 1 1 10 6  36 o 83.8613 2.5658  13.6759      1.07537   12.4916      1.14385   71.953      118.348     9.74431     298.348     
1 1 1 10 6  37 f 15.9988 3.99042 -0.113669    0.450193  0.78078      0.475366  6.63024     203.688     0           0           
1 1 1 10 6  38 o 48.559  2.87208 4.37336      0.718677  4.51826      0.713677  34.3981     313.137     17.393      133.137     
1 1 1 10 6  39 o 76.6913 2.53309 11.9975      1.01901   10.0793      0.986068  68.6874     69.0852     1.61765     249.085     
1 1 1 10 6  40 o 17.4672 4.27849 0.718086     0.492118  0.377624     0.466649  6.63229     106.994     6.91255     286.994     
1 1 1 10 6  41 o 21.8495 4.74217 1.07627      0.613336  0.861784     0.56551   16.2139     68.8931     5.51468     68.8931     
1 1 1 10 6  42 o 75.3016 2.96781 11.4401      1.10803   10.196       1.18935   76.1366     235.521     17.4264     235.521     
1 1 1 10 6  43 o 34.15   3.96733 2.39934      0.68313   2.28916      0.672668  32.9668     232.29      8.20218     232.29      
1 1 1 10 6  44 o 36.0496 3.49191 2.78474      0.636737  2.37541      0.630496  35.5652     101.338     10.0115     101.338     
1 1 1 10 6  45 o 20.3369 4.50091 0.884969     0.534096  0.839329     0.520274  13.0064     297.73      4.546       117.73      
1 1 1 10 6  46 o 63.2294 2.7996  7.77972      0.914633  7.6842       0.911312  61.8236     67.0257     13.4065     67.0257     
1 1 1 10 6  47 o 19.6414 4.24387 0.0929502    0.546021  1.38647      0.555414  8.05919     207.907     14.6987     27.9067     
1 1 1 10 6  48 o 17.7178 4.03299 -0.292984    0.526741  1.25689      0.534512  11.0866     166.802     3.18701     346.802     
1 1 1 10 6  49 o 23.0908 4.9581  1.37402      0.653231  1.12885      0.642192  15.3859     257.391     5.78488     77.3913     
1 1 1 10 6  50 o 17.6241 4.64366 0.51818      0.588894  0.799881     0.561748  12.5471     131.327     1.26537     131.327     
1 1 1 10 6  51 o 45.3817 3.51063 4.51822      0.830871  4.22195      0.794022  42.9091     46.4568     9.86056     46.4569     
1 1 1 10 6  52 o 14.6913 4.36647 -0.0950722   0.598105  0.625651     0.585218  3.47279     164.061     13.3495     344.061     
1 1 1 10 6  53 o 16.7936 4.63175 0.0154355    0.625368  1.12162      0.648012  9.24037     315.706     2.25338     315.706     
1 1 1 10 6  54 o 15.6584 4.6462  0.6705       0.656639  0.342519     0.623112  7.88343     18.7367     3.47798     198.737     
1 1 1 10 6  55 o 10.574  3.57627 -0.343881    0.55713   -0.461425    0.552331  0.510913    101.608     4.41118     281.608     
1 1 1 10 6  56 o 18.2347 4.79225 1.27798      0.639357  0.545318     0.624004  9.55273     330.268     1.92277     330.268     
1 1 1 10 6  57 o 11.2448 3.78636 -0.0290829   0.619347  -0.6642      0.60695   0.780715    33.4833     6.86334     213.483     
1 1 1 10 6  58 o 12.6407 4.13246 0.162186     0.653705  -0.0524604   0.619582  2.03453     190.711     1.13443     10.7108     
1 1 1 10 6  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 7  0  o 65.5749 2.39327 7.94629      0.808532  7.94629      0.808532  3.51971     3.72092e-05 13.1958     180         
1 1 1 10 7  1  o 287.974 2.29644 152.71       3.43151   151.46       3.42446   345.008     4.24626     123.067     4.24626     
1 1 1 10 7  2  o 220.806 2.1935  86.5884      2.50525   92.2729      2.51435   253.332     344.873     80.8309     344.873     
1 1 1 10 7  3  o 164.12  2.15132 49.3069      1.83251   49.4809      1.82785   151.946     119.82      4.53288     299.82      
1 1 1 10 7  4  o 311.563 2.34518 177.528      3.78801   178.54       3.78694   341.977     324.925     66.4339     324.925     
1 1 1 10 7  5  o 179.07  2.15844 57.6572      2.00168   59.9651      2.00484   222.318     115.64      118.964     115.64      
1 1 1 10 7  6  f 200.737 2.17572 72.8605      2.26304   74.947       2.2645    146.111     225.879     0           0           
1 1 1 10 7  7  o 212.626 2.18965 82.4371      2.41468   83.3972      2.41196   249.938     243.031     93.4879     243.031     
1 1 1 10 7  8  o 300.28  2.41441 164.389      3.88565   166.428      3.62426   299.065     135.047     4.11914     135.047     
1 1 1 10 7  9  o 253.654 2.41677 115.078      3.17642   121.03       3.17742   246.537     124.32      4.2869      304.32      
1 1 1 10 7  10 o 326.496 2.74985 193.828      4.66382   197.456      4.64347   336.184     296.982     26.0286     296.982     
1 1 1 10 7  11 o 209.651 2.33753 79.1656      2.5435    82.13        2.53631   194.694     296.122     17.2009     116.122     
1 1 1 10 7  12 o 225.53  2.46544 94.2513      2.7897    92.4343      2.96999   240.824     99.6909     43.4369     99.6909     
1 1 1 10 7  13 o 270.664 2.61754 135.016      3.6802    133.942      3.66468   274.193     224.262     15.7991     224.262     
1 1 1 10 7  14 o 128.542 2.40388 30.6753      1.65688   30.0217      1.54279   84.8701     174.985     73.1145     354.985     
1 1 1 10 7  15 o 92.2734 2.46252 15.6726      1.21285   15.6329      1.13746   19.5318     195.231     132.521     15.231      
1 1 1 10 7  16 o 184.912 2.26906 63.8256      2.23861   61.7044      2.11102   182.21      203.721     4.49928     203.721     
1 1 1 10 7  17 o 64.8025 2.4823  6.60213      0.792077  8.95526      0.863948  45.0481     204.701     19.5008     24.7008     
1 1 1 10 7  18 o 100.521 2.69421 20.2256      1.27535   17.0246      1.4916    71.1282     258.336     48.2798     78.3361     
1 1 1 10 7  19 o 233.305 2.74635 97.792       3.18059   102.301      3.46115   223.269     213.457     10.744      33.4572     
1 1 1 10 7  20 o 135.26  2.45386 33.5113      1.66054   33.7305      1.77714   117.862     119.735     24.0725     299.735     
1 1 1 10 7  21 o 178.826 2.22132 60.9868      2.06858   56.5104      2.04805   173.705     147.904     1.1838      147.904     
1 1 1 10 7  22 o 151.039 2.22669 42.242       1.74695   41.5573      1.73968   165.144     77.2473     41.8177     77.2473     
1 1 1 10 7  23 o 43.7418 2.81847 4.10687      0.635292  3.03058      0.618712  9.04881     241.373     49.3279     61.3731     
1 1 1 10 7  24 o 234.368 2.29115 99.3967      2.78123   102.442      2.78523   255.678     296.099     58.3629     296.099     
1 1 1 10 7  25 f 118.482 2.27714 26.2092      1.40402   25.4157      1.39039   83.8285     277.786     0           0           
1 1 1 10 7  26 o 58.541  2.61665 5.61713      0.779718  7.08109      0.793275  37.8302     157.429     26.6916     337.429     
1 1 1 10 7  27 o 124.791 2.36835 29.8983      1.59685   27.4297      1.46509   145.133     194.167     56.6865     194.167     
1 1 1 10 7  28 f 48.7081 3.06887 5.00865      0.771547  3.84505      0.752844  81.0702     185.749     0           0           
1 1 1 10 7  29 o 70.1084 2.62137 8.64187      0.91143   9.52042      0.987571  25.2242     97.717      77.3064     277.717     
1 1 1 10 7  30 o 65.2135 2.52416 7.78057      0.854758  7.93407      0.845071  60.443      225.925     10.6706     225.925     
1 1 1 10 7  31 o 45.9872 2.90394 4.50278      0.698476  3.40894      0.66467   35.6306     323.805     13.7749     323.805     
1 1 1 10 7  32 o 29.7706 3.72676 1.67905      0.565366  1.71335      0.542394  5.12204     355.074     33.7688     175.074     
1 1 1 10 7  33 o 19.3656 3.78736 1.44373      0.532845  -0.293013    0.478967  1.41757     185.889     24.5548     185.889     
1 1 1 10 7  34 o 76.9562 2.8309  10.8391      1.17386   11.1994      1.07241   63.2558     138.612     14.7267     318.612     
1 1 1 10 7  35 o 68.9727 3.01091 7.27921      1.03927   10.6706      1.07896   78.9026     297.056     34.4508     297.056     
1 1 1 10 7  36 o 72.9881 2.52034 9.63385      0.949194  10.2068      0.951571  78.9021     165.154     26.4328     165.154     
1 1 1 10 7  37 o 34.0187 3.48908 2.76812      0.595125  1.74006      0.576755  30.885      73.0537     8.91303     73.0537     
1 1 1 10 7  38 o 49.6324 2.84439 5.11469      0.729238  4.2068       0.71701   55.4805     143.616     24.9975     143.616     
1 1 1 10 7  39 o 18.3697 4.16651 0.3147       0.474844  0.924261     0.473643  2.75155     94.1202     21.6094     274.12      
1 1 1 10 7  40 o 30.4249 3.98879 1.96642      0.613821  1.73268      0.597767  14.337      6.28795     23.6207     186.288     
1 1 1 10 7  41 o 55.4705 3.04226 6.12651      0.878262  5.64287      0.857151  51.6571     91.1663     4.63536     91.1663     
1 1 1 10 7  42 o 22.6832 4.56205 1.0863       0.564088  1.03787      0.559722  1.83483     9.71803     34.5506     189.718     
1 1 1 10 7  43 o 37.8727 3.61872 2.58066      0.665638  3.11773      0.717745  31.9723     93.7425     1.35931     273.743     
1 1 1 10 7  44 o 22.4232 4.66703 1.11523      0.612671  1.0177       0.545144  19.1869     61.0931     7.83208     61.0931     
1 1 1 10 7  45 o 13.2265 3.99997 0.144256     0.491136  -0.00243566  0.485648  2.92932     4.85017     8.82008     184.85      
1 1 1 10 7  46 o 34.6197 3.75226 2.20495      0.642841  2.69907      0.656596  27.8371     66.7853     2.67508     246.785     
1 1 1 10 7  47 o 57.7967 2.93238 6.09525      0.867373  7.03566      0.874434  55.3509     333.982     10.9851     333.982     
1 1 1 10 7  48 o 60.3745 2.95049 6.60787      0.905991  7.85438      0.924908  43.6519     306.914     16.8037     126.914     
1 1 1 10 7  49 o 23.2658 4.95224 1.38056      0.646383  1.19007      0.648948  18.5304     181.365     0.971742    181.365     
1 1 1 10 7  50 o 27.0451 4.73933 1.50835      0.626229  1.98423      0.699654  15.705      253.337     12.8173     73.337      
1 1 1 10 7  51 o 24.2553 4.6149  0.96558      0.6119    1.91065      0.627152  16.5822     29.9816     4.96368     209.982     
1 1 1 10 7  52 o 15.5141 4.58948 0.764777     0.655123  -0.00469484  0.631108  6.43594     58.2848     0.628695    58.2848     
1 1 1 10 7  53 o 14.2735 4.33073 0.156295     0.588145  0.42845      0.57087   3.1244      236.746     0.244423    236.746     
1 1 1 10 7  54 o 18.3188 4.94326 0.654612     0.66775   1.14654      0.66506   9.68315     34.3852     4.68704     34.3852     
1 1 1 10 7  55 o 17.16   4.70005 0.963051     0.603626  0.565715     0.6091    1.12223     348.285     0.439652    348.285     
1 1 1 10 7  56 o 12.6887 4.06684 0.295993     0.591752  -0.19633     0.578813  1.46597     179.689     10.0992     359.689     
1 1 1 10 7  57 o 39.1258 4.72378 4.85233      0.966586  3.34146      0.872379  40.5497     320.237     20.7751     320.237     
1 1 1 10 7  58 o 21.1281 5.17043 1.69043      0.691362  1.16181      0.730606  16.5679     135.461     7.98422     135.461     
1 1 1 10 8  0  o 159.245 2.13388 46.5414      1.76001   46.5414      1.76001   226.488     180         157.211     180         
1 1 1 10 8  1  o 175.014 2.15328 53.339       1.94441   59.0847      1.95941   30.4803     29.9109     280.842     209.911     
1 1 1 10 8  2  o 107.199 2.19233 21.7593      1.2181    20.439       1.21498   70.3739     61.5906     40.356      241.591     
1 1 1 10 8  3  o 323.822 2.36191 193.555      3.96749   191.145      3.96164   357.803     214.047     74.7923     214.047     
1 1 1 10 8  4  o 195.633 2.16512 72.0758      2.19919   68.3389      2.19106   212.999     314.894     54.0303     314.894     
1 1 1 10 8  5  o 173.313 2.14913 55.3439      1.93303   54.8404      1.92844   109.821     122.488     113.821     302.488     
1 1 1 10 8  6  o 320.291 2.36824 188.298      3.93338   188.089      3.93039   323.594     1.85163     13.3466     1.85163     
1 1 1 10 8  7  o 206.599 2.1736  77.1642      2.32763   79.4292      2.32753   185.181     175.152     29.3208     355.152     
1 1 1 10 8  8  o 18.5857 4.14127 0.592525     0.451912  0.657697     0.44008   34.9095     74.9999     74.0788     74.9999     
1 1 1 10 8  9  o 22.3311 4.01812 0.337877     0.526562  1.50809      0.500092  13.0164     68.0484     28.6715     68.0484     
1 1 1 10 8  10 o 139.293 2.48567 34.3221      1.79612   36.941       1.78968   109.206     108.39      42.1589     288.39      
1 1 1 10 8  11 o 183.723 2.48348 62.1654      2.36859   61.7372      2.36167   183.871     137.198     14.8418     137.198     
1 1 1 10 8  12 o 178.048 2.4126  58.9367      2.13535   57.4371      2.31188   149.565     317.82      45.3442     137.82      
1 1 1 10 8  13 o 128.222 2.30747 30.5676      1.53226   29.8241      1.5324    135.382     188.578     34.6926     188.578     
1 1 1 10 8  14 o 148.799 2.30905 43.2294      1.78954   38.1326      1.76846   136.095     346.442     13.3561     166.442     
1 1 1 10 8  15 o 273.188 2.3066  139.342      3.27682   134.683      3.25552   327.942     337.222     118.699     337.222     
1 1 1 10 8  16 o 34.3943 3.1059  2.6003       0.540386  1.85208      0.529262  1.0319      228.044     22.136      48.0439     
1 1 1 10 8  17 o 83.4281 2.28501 12.6359      0.988065  12.9622      0.984365  82.8098     175.688     16.888      175.688     
1 1 1 10 8  18 o 96.1693 2.43377 17.5191      1.22254   16.5071      1.19979   36.7105     89.5151     109.542     269.515     
1 1 1 10 8  19 o 64.3854 2.75856 7.54462      0.880138  7.75235      0.951946  49.6942     289.02      8.56851     109.02      
1 1 1 10 8  20 o 95.7486 2.50836 17.051       1.28574   16.6885      1.19916   91.6828     52.9758     7.19814     52.9757     
1 1 1 10 8  21 o 122.254 2.50357 26.9223      1.64068   28.0625      1.5239    104.632     289.019     22.6948     109.019     
1 1 1 10 8  22 o 222.049 2.34009 88.8402      2.76329   92.3491      2.61809   257.339     309.665     85.825      309.665     
1 1 1 10 8  23 o 69.3062 2.55557 8.47469      0.914388  9.24102      0.914101  30.9203     151.3       64.197      331.3       
1 1 1 10 8  24 o 145.343 2.30352 39.9459      1.68765   37.6984      1.77834   143.251     280.403     9.74581     280.403     
1 1 1 10 8  25 o 57.7224 2.66391 5.71917      0.774084  6.60571      0.810345  33.0998     118.503     35.1194     298.503     
1 1 1 10 8  26 o 133.317 2.32487 31.8758      1.56472   33.4772      1.64875   153.288     218.532     55.9237     218.532     
1 1 1 10 8  27 o 30.048  3.70512 1.50196      0.543865  1.94313      0.565991  0.863969    60.4918     37.5791     60.4918     
1 1 1 10 8  28 o 253.013 2.44513 118.832      3.32047   116.767      3.09086   260.868     181.181     39.7086     181.181     
1 1 1 10 8  29 o 107.054 2.54198 22.3346      1.41575   19.9665      1.39897   101.978     191.998     6.67715     191.998     
1 1 1 10 8  30 o 110.466 2.44199 22.6691      1.34805   22.3453      1.44273   94.3252     268.363     16.3991     88.3631     
1 1 1 10 8  31 o 44.9896 2.88871 3.89952      0.674749  3.64788      0.657781  20.7558     287.739     35.5744     107.739     
1 1 1 10 8  32 o 79.8663 2.57202 11.3995      1.06444   12.2336      1.0583    70.3574     97.2843     5.93325     277.284     
1 1 1 10 8  33 o 42.9765 3.12066 3.16011      0.680761  3.79233      0.684957  18.4613     206.162     39.2301     26.1623     
1 1 1 10 8  34 o 55.451  3.03073 5.23637      0.895365  6.30411      0.816633  48.9635     139.129     0.726937    319.129     
1 1 1 10 8  35 o 45.8185 3.25157 4.23854      0.742963  3.70318      0.774362  45.8712     208.311     14.3064     208.311     
1 1 1 10 8  36 o 20.2827 4.24544 1.04046      0.501963  0.550834     0.476281  2.31005     32.0031     1.42743     212.003     
1 1 1 10 8  37 f 107.104 2.40295 20.912       1.32873   21.8585      1.33568   82.5893     210.018     0           0           
1 1 1 10 8  38 o 33.8176 3.58777 1.5534       0.578606  3.00441      0.597028  28.0649     150.938     0.71627     330.938     
1 1 1 10 8  39 o 18.2017 4.34267 0.84673      0.517293  0.376286     0.47884   7.09552     200.023     0.46615     20.0225     
1 1 1 10 8  40 o 30.1315 4.28949 1.32162      0.650931  2.40706      0.641778  24.364      196.856     1.75483     16.8561     
1 1 1 10 8  41 o 26.4003 4.34211 1.05467      0.590101  1.82361      0.592891  14.7959     309.155     14.8104     129.155     
1 1 1 10 8  42 o 23.0533 4.46482 1.36074      0.555498  0.842801     0.564162  20.4161     146.787     8.27792     146.787     
1 1 1 10 8  43 f 52.131  2.91576 5.64282      0.790641  4.85161      0.769998  36.7827     352.643     0           0           
1 1 1 10 8  44 o 61.376  3.06996 8.07416      0.978516  6.60108      0.955942  65.6978     239.288     24.2822     239.288     
1 1 1 10 8  45 o 30.493  4.12201 1.91503      0.662409  1.9619       0.591321  32.9615     285.692     18.1637     285.692     
1 1 1 10 8  46 o 39.3256 3.52839 2.8408       0.704308  3.41619      0.693499  37.5927     331.157     8.77227     331.157     
1 1 1 10 8  47 o 31.6875 4.01375 2.22614      0.631406  2.0247       0.637738  33.6205     224.56      16.1401     224.56      
1 1 1 10 8  48 o 19.0884 4.61211 0.981094     0.569313  0.619855     0.539177  8.60787     281.555     12.416      101.555     
1 1 1 10 8  49 o 11.0949 3.61496 0.0280902    0.505447  -0.573179    0.477585  1.18051     70.2657     11.0747     250.266     
1 1 1 10 8  50 o 17.5131 4.75641 0.748719     0.611724  0.589524     0.604229  11.5651     203.166     4.52314     203.166     
1 1 1 10 8  51 o 12.4104 3.9663  0.0063397    0.571232  -0.0690897   0.516162  3.21922     214.215     5.51883     34.2146     
1 1 1 10 8  52 o 25.3457 4.95268 2.43136      0.745293  0.998763     0.706792  15.8187     110.329     7.98159     290.329     
1 1 1 10 8  53 o 17.7921 4.65234 0.420943     0.607651  1.12344      0.592706  11.7987     335.89      1.79325     335.89      
1 1 1 10 8  54 o 26.2517 5.18699 2.12189      0.73705   1.78217      0.735807  19.3765     324.349     1.11093     144.349     
1 1 1 10 8  55 o 11.9017 3.93013 -0.160397    0.581189  -0.107342    0.61551   0.804305    225.033     2.41308     45.0326     
1 1 1 10 8  56 o 36.1216 4.99767 4.04715      0.915315  3.08242      0.887404  31.1198     359.851     6.09018     359.851     
1 1 1 10 8  57 o 10.8865 3.71185 -0.59776     0.644061  -0.276968    0.6135    0.910686    42.213      6.50802     222.213     
1 1 1 10 8  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 9  0  o 44.5801 2.65205 3.72133      0.602497  3.72133      0.602497  11.3751     180         40.348      180         
1 1 1 10 9  1  o 59.772  2.37448 6.49037      0.733204  6.66065      0.732157  0.0392969   213.953     51.3763     33.9504     
1 1 1 10 9  2  o 86.8212 2.21426 14.6427      0.998773  13.0708      0.989078  25.6867     281.784     92.3796     101.784     
1 1 1 10 9  3  o 265.001 2.25638 127.391      3.09423   130.275      3.10456   265.465     89.0079     11.2288     89.0079     
1 1 1 10 9  4  o 147.518 2.14339 38.3913      1.63456   41.4764      1.64186   86.5004     28.5772     106.824     208.577     
1 1 1 10 9  5  o 122.191 2.22724 28.6984      1.45513   26.1501      1.36441   99.5456     249.408     19.6232     69.4079     
1 1 1 10 9  6  o 170.076 2.27864 52.0127      2.0101    54.1397      2.00694   132.07      89.3308     61.9796     269.331     
1 1 1 10 9  7  o 301.07  2.48043 165.971      3.87841   166.729      3.86356   336.178     11.1744     79.7312     11.1743     
1 1 1 10 9  8  o 132.543 2.28305 31.6427      1.57421   32.8346      1.56228   100.593     89.2292     46.5792     269.229     
1 1 1 10 9  9  o 215.997 2.75059 84.8276      3.08363   86.507       3.0754    210.149     78.5377     0.50155     258.538     
1 1 1 10 9  10 o 104.629 2.52823 20.8051      1.36876   19.4463      1.3684    62.0225     102.53      68.3443     282.53      
1 1 1 10 9  11 f 26.6771 3.7722  1.39535      0.489313  1.31607      0.517049  29.6573     256.609     0           0           
1 1 1 10 9  12 o 112.292 2.31407 22.0833      1.33738   24.2735      1.35205   126.322     122.125     50.8291     122.125     
1 1 1 10 9  13 f 147.131 2.30389 38.3946      1.7492    41.1057      1.76393   130.998     156.424     0           0           
1 1 1 10 9  14 o 164.627 2.17641 50.1148      1.86165   49.3793      1.85283   171.88      172.407     24.2682     172.407     
1 1 1 10 9  15 o 275.272 2.30942 138.462      3.29558   139.795      3.29499   284.145     69.1129     27.2289     69.1129     
1 1 1 10 9  16 o 287.053 2.33094 151.657      3.4739    150.973      3.46282   294.952     198.084     26.457      198.084     
1 1 1 10 9  17 o 112.011 2.2187  22.7044      1.28785   23.4098      1.28579   78.8346     107.485     55.5935     287.485     
1 1 1 10 9  18 o 173.384 2.36201 53.5107      2.12383   56.9557      2.12022   155.032     183.958     25.4914     3.95844     
1 1 1 10 9  19 o 114.785 2.39843 23.7097      1.42909   24.7499      1.42121   113.826     1.47397     12.247      1.47397     
1 1 1 10 9  20 o 172.107 2.20564 54.7279      1.97276   54.0784      1.96269   164.861     98.6073     1.41085     278.607     
1 1 1 10 9  21 o 47.3428 2.98174 5.20303      0.72159   3.22903      0.697237  30.9071     265.604     146.164     265.604     
1 1 1 10 9  22 o 102.536 2.46466 19.988       1.31384   18.7136      1.30161   105.77      141.448     21.8691     141.448     
1 1 1 10 9  23 o 43.7478 2.8259  3.09214      0.627475  4.04042      0.630503  22.1004     90.9735     19.816      270.973     
1 1 1 10 9  24 o 110.546 2.27858 22.4827      1.30804   22.4681      1.30053   73.7501     144.671     61.4285     324.671     
1 1 1 10 9  25 o 132.638 2.27624 31.7565      1.56777   32.9218      1.56176   120.74      197.127     9.30586     17.1272     
1 1 1 10 9  26 o 109.131 2.37381 22.0242      1.38841   21.8218      1.29276   88.8183     17.8983     26.3638     197.898     
1 1 1 10 9  27 o 122.294 2.36979 27.036       1.5423    28.0376      1.45615   129.304     189.714     31.2117     189.714     
1 1 1 10 9  28 o 105.518 2.36779 19.777       1.30139   21.2672      1.28347   87.7118     50.294      19.6173     230.294     
1 1 1 10 9  29 o 197.982 2.48339 74.3682      2.73229   70.1358      2.36043   199.182     137         25.15       137         
1 1 1 10 9  30 o 91.2536 2.76115 14.6222      1.2881    16.222       1.31665   76.053      161.243     15.8574     341.243     
1 1 1 10 9  31 o 65.8013 2.82745 7.43701      0.906941  8.67397      1.01375   83.4429     245.129     54.2923     245.129     
1 1 1 10 9  32 o 168.989 2.51823 51.8342      2.1331    53.8313      2.27842   199.524     211.984     83.7745     211.984     
1 1 1 10 9  33 o 62.0612 2.65253 7.0397       0.830979  7.29925      0.867742  62.6683     37.5452     14.4525     37.5452     
1 1 1 10 9  34 o 23.3889 4.57819 0.673884     0.590173  1.46315      0.601815  5.76849     223.634     21.1765     43.6342     
1 1 1 10 9  35 o 81.2068 2.66565 10.8069      1.09519   13.9029      1.13347   79.7751     4.01288     12.1671     4.01288     
1 1 1 10 9  36 o 55.0976 2.71658 5.57265      0.77643   5.82707      0.764914  63.138      151.036     30.2367     151.036     
1 1 1 10 9  37 o 41.7755 3.0306  3.06813      0.640512  3.58264      0.650587  28.5834     140.314     16.1617     320.314     
1 1 1 10 9  38 o 27.6152 4.06305 1.33086      0.56897   1.73103      0.556566  18.1516     108.728     9.05225     288.728     
1 1 1 10 9  39 o 46.4045 3.1018  4.28194      0.74805   3.976        0.7263    43.2789     318.23      4.96783     318.23      
1 1 1 10 9  40 o 60.4479 2.95973 6.13895      0.912104  7.84945      0.920239  61.3325     16.6041     15.2163     16.6041     
1 1 1 10 9  41 o 11.847  3.58427 0.299565     0.436798  -0.6077      0.430462  11.0534     48.1758     40.0561     48.1758     
1 1 1 10 9  42 o 24.7668 4.48241 1.49686      0.59226   1.08302      0.570906  14.0246     61.7434     12.6821     241.743     
1 1 1 10 9  43 o 15.2281 4.19616 0.514653     0.485848  0.118914     0.493207  4.09742     132.8       12.9023     312.8       
1 1 1 10 9  44 o 26.8876 4.42575 1.10446      0.578194  2.01787      0.650991  21.2268     49.7366     0.999709    229.737     
1 1 1 10 9  45 o 51.3978 3.24604 5.25011      0.85167   5.20161      0.859699  47.9008     331.023     7.28388     331.023     
1 1 1 10 9  46 o 16.6167 4.25186 0.89154      0.51999   0.0056043    0.519517  6.50241     319.951     11.4005     139.951     
1 1 1 10 9  47 o 25.3353 4.34223 2.07502      0.608802  0.820077     0.581823  19.0797     0.459977    2.55348     180.46      
1 1 1 10 9  48 o 20.9727 4.51255 0.508936     0.581481  1.46194      0.577131  16.5641     308.852     1.65643     308.852     
1 1 1 10 9  49 o 20.366  4.66318 1.2877       0.593609  0.6728       0.565148  17.4765     286.87      6.53841     286.87      
1 1 1 10 9  50 o 22.3032 4.86282 0.962346     0.648227  1.51467      0.622854  18.1853     207.773     3.5639      207.773     
1 1 1 10 9  51 o 10.4302 3.55061 -0.899814    0.579463  -0.322275    0.566931  0.108264    30.073      0.503309    210.073     
1 1 1 10 9  52 o 16.0374 4.2284  1.16128      0.569576  -0.679234    0.657421  8.52016     64.3988     3.29562     244.399     
1 1 1 10 9  53 o 24.6103 4.71745 2.70929      0.764768  0.654007     0.644103  18.638      332.266     0.0473091   332.265     
1 1 1 10 9  54 o 13.6112 4.28623 0.470757     0.638077  -0.121284    0.602916  2.616       78.6866     1.42487     258.687     
1 1 1 10 9  55 o 14.2952 4.40422 0.498594     0.638372  0.194813     0.589155  3.78977     331.435     8.01153     151.435     
1 1 1 10 9  56 o 9.44057 3.2938  -1.41953     0.596974  -0.430614    0.576278  0.357186    102.61      4.32529     102.61      
1 1 1 10 9  57 o 9.92354 3.39571 -1.31267     0.56132   -0.036468    0.546716  0.355401    326.98      9.45088     326.98      
1 1 1 10 9  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 10 0  o 148.317 2.29514 40.3981      1.76263   40.3981      1.76263   207.81      1.50039e-05 122.65      1.50039e-05 
1 1 1 10 10 1  o 182.657 2.29847 63.6665      2.18317   58.8239      2.16734   184.864     242.818     19.7872     242.818     
1 1 1 10 10 2  o 39.6159 2.84234 2.97784      0.585059  2.84545      0.566213  50.6389     25.0397     150.849     25.0397     
1 1 1 10 10 3  o 121.762 2.28441 28.4256      1.4427    26.0496      1.4366    104.805     86.9149     12.4156     266.915     
1 1 1 10 10 4  o 77.8099 2.45024 10.6873      0.959911  11.5903      1.01187   35.4954     137.191     56.0018     317.191     
1 1 1 10 10 5  o 77.3005 2.46136 9.56591      0.948482  12.5132      1.01304   39.5987     17.011      46.0058     197.011     
1 1 1 10 10 6  o 193.159 2.47163 66.1963      2.47168   70.8191      2.4758    171.617     315.107     31.8701     135.107     
1 1 1 10 10 7  o 167.338 2.44414 52.0988      2.12643   50.7121      2.11359   137.829     66.8018     47.4387     246.802     
1 1 1 10 10 8  o 117.691 2.42801 26.7575      1.41688   24.1725      1.53135   48.1954     297.32      127.895     117.32      
1 1 1 10 10 9  o 88.2696 2.45749 13.7499      1.15876   14.9157      1.07953   85.7391     46.4583     23.2903     46.4583     
1 1 1 10 10 10 o 253.836 2.606   116.573      3.42343   120.101      3.43399   306.606     351.51      115.927     351.51      
1 1 1 10 10 11 o 96.048  2.44854 16.437       1.16693   17.4937      1.26737   106.7       130.55      40.141      130.55      
1 1 1 10 10 12 o 188.087 2.25112 65.3807      2.26319   64.5092      2.12501   206.799     239.16      47.5564     239.16      
1 1 1 10 10 13 o 40.6431 2.70444 3.37866      0.56447   2.76073      0.557344  2.17342     11.3594     65.725      11.3594     
1 1 1 10 10 14 o 87.9396 2.2498  14.7274      1.03104   13.7175      1.01617   84.9442     17.0566     10.574      17.0566     
1 1 1 10 10 15 o 184.062 2.18774 62.6352      2.08921   61.7757      2.0854    174.15      305.057     8.85669     125.057     
1 1 1 10 10 16 o 63.7198 2.39657 8.19513      0.796473  6.79635      0.777296  32.2728     354.282     47.4849     174.282     
1 1 1 10 10 17 o 169.591 2.19957 52.517       1.93279   53.1194      1.93441   160.555     49.314      5.70306     229.314     
1 1 1 10 10 18 o 27.1714 3.79898 1.26323      0.527801  1.55856      0.502782  12.6703     286.054     48.7291     286.054     
1 1 1 10 10 19 o 189.328 2.39531 63.8439      2.34789   67.9117      2.35206   202.269     3.72475     40.4629     3.72474     
1 1 1 10 10 20 o 33.0747 3.16129 1.8414       0.52749   2.27042      0.52267   15.3284     228.022     79.4791     228.022     
1 1 1 10 10 21 o 40.1302 2.90002 3.17191      0.595693  2.82087      0.592214  2.85027     226.899     57.5433     46.8988     
1 1 1 10 10 22 o 69.7007 2.63161 9.52236      0.953263  8.41386      0.939416  77.7406     162.672     45.2957     162.672     
1 1 1 10 10 23 o 50.1373 2.95259 4.48735      0.754826  4.83576      0.765449  39.9426     311.809     16.1837     311.809     
1 1 1 10 10 24 o 45.5262 2.89713 3.08375      0.662583  4.69667      0.664535  31.3143     34.3848     3.46125     34.3848     
1 1 1 10 10 25 f 106.01  2.30774 21.3416      1.27575   20.0368      1.25705   130.857     2.72939     0           0           
1 1 1 10 10 26 o 47.8731 2.80183 3.88429      0.687311  4.63569      0.686063  14.1861     197.049     52.4396     17.0495     
1 1 1 10 10 27 o 112.479 2.32348 22.4371      1.35453   24.1915      1.35033   121.583     110.423     36.7397     110.423     
1 1 1 10 10 28 o 54.5386 2.6539  5.84237      0.754022  5.1909       0.736252  52.4494     198.965     27.7396     198.965     
1 1 1 10 10 29 o 124.324 2.31211 28.115       1.49112   28.9044      1.48606   106.191     297.95      19.4094     117.95      
1 1 1 10 10 30 o 77.0529 2.70143 11.0197      1.11944   10.9949      1.0299    57.7008     267.373     26.0477     87.3727     
1 1 1 10 10 31 o 87.561  2.78486 14.1141      1.25586   14.3657      1.26565   89.8576     114.514     18.9994     114.514     
1 1 1 10 10 32 o 87.0882 2.42837 13.6368      1.08942   14.4904      1.09823   78.3216     320.393     3.13963     140.393     
1 1 1 10 10 33 o 35.057  3.61463 3.1442       0.693382  1.67732      0.566993  26.3272     141.223     3.96697     321.223     
1 1 1 10 10 34 o 24.5949 4.6359  1.23673      0.631428  1.16968      0.572292  12.2762     110.892     4.95452     290.892     
1 1 1 10 10 35 o 17.3552 4.30847 0.550055     0.497039  0.500119     0.462455  2.27353     210.278     9.03066     30.2782     
1 1 1 10 10 36 o 32.5445 3.77852 1.5549       0.589684  2.65267      0.62163   31.2088     342.868     11.3357     342.868     
1 1 1 10 10 37 o 23.3877 4.35548 1.42408      0.559632  0.796482     0.533473  16.7925     218.922     5.49359     218.922     
1 1 1 10 10 38 o 17.0811 4.34391 0.538293     0.485858  0.478914     0.495682  7.13576     74.4841     6.18536     254.484     
1 1 1 10 10 39 o 12.1041 3.70134 -0.17446     0.425253  0.114573     0.437202  2.23221     58.4734     20.2465     58.4734     
1 1 1 10 10 40 o 21.9932 4.41951 1.41805      0.567682  0.547611     0.547843  14.6163     114.773     5.2306      294.773     
1 1 1 10 10 41 o 57.0417 3.02163 6.41788      0.884457  6.12047      0.888843  57.1282     22.4241     14.0772     22.4241     
1 1 1 10 10 42 o 30.4805 4.20175 0.986471     0.631798  3.03809      0.658701  24.4425     300.377     1.93603     120.377     
1 1 1 10 10 43 o 18.6009 4.17272 0.103445     0.505291  1.17219      0.520645  6.18015     20.8982     16.4773     200.898     
1 1 1 10 10 44 o 49.017  3.10432 4.01771      0.764981  5.46959      0.780738  43.1661     23.3816     1.92387     23.3816     
1 1 1 10 10 45 o 16.0504 4.51423 0.564739     0.566194  0.192951     0.577886  5.92917     8.56842     10.9191     188.568     
1 1 1 10 10 46 o 24.7844 4.51671 2.07624      0.666602  0.729367     0.577156  24.0986     74.8504     11.1095     74.8504     
1 1 1 10 10 47 o 10.5182 3.46493 -0.667506    0.487861  -0.0847802   0.461263  0.0631785   226.873     11.9389     46.873      
1 1 1 10 10 48 o 18.133  4.59721 0.984822     0.576815  0.459844     0.550224  7.92478     285.744     11.9594     105.744     
1 1 1 10 10 49 o 22.0488 4.85944 1.50292      0.614013  0.874982     0.67066   17.6484     35.9697     2.50309     35.9696     
1 1 1 10 10 50 o 14.9394 4.45548 0.00777796   0.653485  0.575373     0.576605  6.03331     68.0553     6.63421     248.055     
1 1 1 10 10 51 o 31.5426 5.12869 2.61161      0.822029  2.57391      0.820051  28.5536     91.6217     7.60248     91.6217     
1 1 1 10 10 52 o 27.593  4.69646 1.43297      0.678137  2.52786      0.6876    22.6289     58.4815     2.55391     58.4815     
1 1 1 10 10 53 o 16.4623 4.65965 0.461572     0.643341  0.838121     0.591127  7.7092      103.785     5.40489     283.785     
1 1 1 10 10 54 o 21.309  5.03174 1.82029      0.69583   0.817818     0.710018  14.9772     36.5542     2.79963     36.5542     
1 1 1 10 10 55 o 27.1183 5.13786 2.43052      0.757069  1.82183      0.730404  23.1666     242.137     7.03477     242.137     
1 1 1 10 10 56 o 8.89539 3.13103 -0.878639    0.590405  -1.05769     0.539338  2.18241     142.625     11.6525     142.625     
1 1 1 10 10 57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 11 0  f 146.317 2.41776 39.332       1.83148   39.332       1.83148   108.774     180         0           0           
1 1 1 10 11 1  o 93.539  2.44319 15.665       1.18243   16.5094      1.18212   43.646      81.0832     85.4335     261.083     
1 1 1 10 11 2  o 187.569 2.4457  64.3699      2.37764   64.81        2.37818   180.166     25.2617     3.7469      205.262     
1 1 1 10 11 3  o 152.46  2.41623 42.8718      1.91003   42.4721      1.90898   114.993     268.31      64.2423     88.3098     
1 1 1 10 11 4  o 156.259 2.41949 44.4882      1.96094   45.1659      1.95846   143.649     337.933     13.6101     157.933     
1 1 1 10 11 5  o 64.4975 2.50413 7.54868      0.811894  7.77448      0.856007  39.9927     87.4205     23.0448     267.42      
1 1 1 10 11 6  o 67.6577 2.4064  8.63161      0.840042  8.22166      0.841996  45.2987     82.737      23.5222     262.737     
1 1 1 10 11 7  o 91.5392 2.33014 15.2212      1.10023   15.5861      1.10743   89.3723     155.876     12.3666     155.876     
1 1 1 10 11 8  o 147.124 2.28653 39.6034      1.7413    39.8704      1.74624   148.331     326.33      13.0413     326.33      
1 1 1 10 11 9  o 102.597 2.43573 18.7593      1.34099   19.9521      1.23994   108.917     12.7748     28.0901     12.7748     
1 1 1 10 11 10 o 78.8418 2.51332 11.5726      1.05804   11.3088      0.99053   75.6936     170.544     13.1646     170.544     
1 1 1 10 11 11 o 27.2173 3.51646 1.0846       0.458386  1.76363      0.493136  13.7668     277.677     51.1335     277.677     
1 1 1 10 11 12 o 66.0701 2.3277  9.32553      0.806348  6.84351      0.773128  29.9856     265.156     58.1288     85.1558     
1 1 1 10 11 13 o 90.5378 2.2502  13.8286      1.04683   16.3672      1.05709   24.2843     213.006     122.581     33.0062     
1 1 1 10 11 14 o 189.1   2.20723 66.2193      2.16902   65.1135      2.15806   176.128     215.37      13.8048     35.3701     
1 1 1 10 11 15 o 100.902 2.21923 18.4484      1.15801   18.9851      1.16049   95.8431     208.284     5.04811     208.284     
1 1 1 10 11 16 o 284.218 2.33671 148.306      3.44622   148.488      3.439     282.314     342.808     12.3479     342.808     
1 1 1 10 11 17 o 100.339 2.24041 18.4995      1.167     18.5224      1.16061   99.2512     218.749     13.6556     218.749     
1 1 1 10 11 18 o 139.067 2.37173 35.7907      1.71378   35.2807      1.7056    157.767     279.55      53.0423     279.55      
1 1 1 10 11 19 o 135.168 2.30425 33.4389      1.66776   33.7172      1.55741   118.88      210.491     18.9634     30.4912     
1 1 1 10 11 20 o 86.3359 2.3037  12.9493      1.02619   14.5035      1.02972   56.2818     227.226     47.5021     47.2263     
1 1 1 10 11 21 o 34.1942 3.16207 2.28618      0.547246  2.09585      0.545926  6.90467     320.59      30.49       140.59      
1 1 1 10 11 22 o 24.0417 3.92127 1.34645      0.492222  0.886249     0.471492  3.37859     274.38      19.209      274.38      
1 1 1 10 11 23 o 30.1996 3.69252 1.68051      0.537812  1.78479      0.576558  4.53537     92.7572     49.1107     92.7572     
1 1 1 10 11 24 o 82.681  2.5878  13.2439      1.11769   11.9861      1.09394   93.5786     178.499     42.3981     178.499     
1 1 1 10 11 25 o 87.9508 2.49225 13.7777      1.1751    14.7578      1.08676   97.7183     206.367     39.4816     206.367     
1 1 1 10 11 26 o 90.6789 2.35589 15.6863      1.10675   14.6406      1.10332   93.2596     21.8591     23.2197     21.8591     
1 1 1 10 11 27 o 50.2009 2.74896 4.28462      0.709333  5.09062      0.705347  26.864      274.867     32.1444     94.8674     
1 1 1 10 11 28 o 93.729  2.37566 14.885       1.14162   17.614       1.15814   88.0633     70.1653     3.9348      70.1653     
1 1 1 10 11 29 o 17.0533 3.91883 -0.0496934   0.450921  0.910901     0.458677  2.27909     141.267     14.9386     141.267     
1 1 1 10 11 30 o 113.597 2.46118 22.9187      1.43843   24.8747      1.45544   142.025     343.49      74.9054     343.49      
1 1 1 10 11 31 o 59.374  2.73156 7.14768      0.87433   6.01741      0.798051  61.2664     190.85      17.4141     190.85      
1 1 1 10 11 32 o 75.1277 2.69157 10.3775      1.03871   10.6574      1.05081   85.6097     188.069     36.3769     188.069     
1 1 1 10 11 33 o 17.8474 4.37443 0.627006     0.516909  0.494415     0.471254  0.713089    103.197     15.4366     283.197     
1 1 1 10 11 34 o 71.9072 2.81582 9.98985      1.02276   9.41588      1.06553   71.6439     6.66946     13.9522     6.66946     
1 1 1 10 11 35 o 60.3932 2.69878 6.3077       0.805945  7.4291       0.8751    78.6123     337.873     52.3239     337.873     
1 1 1 10 11 36 o 34.6977 3.53374 2.32816      0.621953  2.3556       0.612446  30.7909     147.995     3.17637     147.995     
1 1 1 10 11 37 o 38.1122 3.31572 3.22148      0.650249  2.42607      0.623581  38.6253     273.219     12.3346     273.219     
1 1 1 10 11 38 o 13.1953 3.63107 0.577528     0.441937  -0.59785     0.416028  2.24429     83.0777     10.4569     263.078     
1 1 1 10 11 39 o 34.0488 3.72147 2.05008      0.608858  2.55552      0.661365  23.6598     289.558     11.3465     109.558     
1 1 1 10 11 40 o 53.1603 3.17231 5.43001      0.89835   5.51142      0.831257  40.7165     44.9148     12.1326     224.915     
1 1 1 10 11 41 o 21.3527 4.54506 0.648728     0.573478  1.2315       0.552936  17.1903     109.306     5.49247     109.306     
1 1 1 10 11 42 o 28.8745 4.23474 2.21395      0.621721  1.30744      0.608493  23.4465     242.005     0.47088     62.0054     
1 1 1 10 11 43 o 22.6165 4.38724 1.62597      0.580771  0.551744     0.560383  12.832      62.2038     10.2243     242.204     
1 1 1 10 11 44 o 29.0613 4.35211 1.2844       0.626472  2.39176      0.655189  21.3794     100.36      5.04406     280.36      
1 1 1 10 11 45 o 48.126  3.72372 5.6288       0.801071  3.93258      0.944963  43.889      75.7141     5.80413     75.7141     
1 1 1 10 11 46 o 39.6218 4.12236 3.43355      0.795914  3.30648      0.843776  31.8592     357.582     2.9472      177.582     
1 1 1 10 11 47 f 19.756  4.72762 0.961535     0.578046  0.845685     0.575004  19.0662     23.0612     0           0           
1 1 1 10 11 48 o 15.9005 4.46738 0.329152     0.572099  0.602447     0.542295  9.5725      308.577     1.12125     308.577     
1 1 1 10 11 49 o 10.5916 3.54082 -0.382707    0.521934  -0.357043    0.503762  0.819179    352.475     13.5216     352.475     
1 1 1 10 11 50 o 33.6474 4.30544 3.35071      0.732638  2.02502      0.699363  31.2925     352.467     9.01421     352.467     
1 1 1 10 11 51 o 21.7643 5.08659 1.05079      0.723401  1.54655      0.655528  18.0645     310.973     9.32946     310.973     
1 1 1 10 11 52 o 15.2573 4.54912 0.709982     0.631805  0.195407     0.623023  1.55198     197.093     0.36583     197.093     
1 1 1 10 11 53 o 17.893  4.85637 0.693699     0.674923  1.03926      0.616899  7.11023     299.514     10.1838     119.514     
1 1 1 10 11 54 o 12.6114 4.04021 0.550598     0.633322  -0.715359    0.569521  1.85469     258.591     8.26888     78.5913     
1 1 1 10 11 55 o 16.2779 4.50369 -0.323667    0.619332  1.40713      0.675723  8.03507     199.168     0.526953    199.168     
1 1 1 10 11 56 o 13.9932 4.436   0.318394     0.656807  0.320098     0.674517  4.81689     345.418     6.80621     165.418     
1 1 1 10 12 0  o 160.533 2.28044 47.3278      1.89591   47.3278      1.89591   237.312     5.32439e-06 157.215     5.32439e-06 
1 1 1 10 12 1  o 127.112 2.33505 29.1612      1.48574   30.2144      1.5885    150.097     82.6137     60.7328     82.6137     
1 1 1 10 12 2  o 61.6503 2.46347 6.64981      0.77892   7.36315      0.788015  47.6445     342.344     3.68387     162.344     
1 1 1 10 12 3  o 33.8848 3.0272  2.41763      0.518057  1.88737      0.514503  1.00139     63.2436     31.9676     63.2436     
1 1 1 10 12 4  o 124.638 2.28588 28.805       1.47229   28.2768      1.47874   107.298     186.646     23.6041     6.64573     
1 1 1 10 12 5  o 135.933 2.27655 34.187       1.6018    33.6654      1.6063    176.314     144.139     97.6636     144.139     
1 1 1 10 12 6  o 194.699 2.30936 67.8458      2.32352   71.3877      2.33705   207.371     328.15      36.7099     328.15      
1 1 1 10 12 7  o 121.971 2.22264 28.894       1.4506    25.814       1.35792   113.366     75.8457     4.91542     255.846     
1 1 1 10 12 8  o 139.782 2.17299 34.4016      1.57201   37.3748      1.57506   140.034     290.887     12.9012     290.887     
1 1 1 10 12 9  o 51.2175 2.57175 4.67923      0.706566  5.01161      0.645694  26.9542     2.69832     23.4658     182.698     
1 1 1 10 12 10 o 127.888 2.3372  29.8312      1.55126   30.2884      1.54478   160.104     209.436     82.1413     209.436     
1 1 1 10 12 11 o 37.2667 2.88668 2.52077      0.52925   2.64838      0.567798  5.46336     148.682     16.7028     328.682     
1 1 1 10 12 12 o 138.57  2.1648  35.7585      1.55765   34.7654      1.55211   133.751     228.167     3.74373     228.167     
1 1 1 10 12 13 o 48.8391 2.54187 4.45307      0.642433  4.36134      0.635557  12.6737     217.543     53.6654     37.5432     
1 1 1 10 12 14 o 193.42  2.21045 67.4826      2.21648   69.9495      2.2154    159.868     18.4203     53.3793     198.42      
1 1 1 10 12 15 f 124.509 2.1956  28.1968      1.41943   28.7684      1.41333   149.626     24.0634     0           0           
1 1 1 10 12 16 o 145.707 2.20118 40.2795      1.66892   37.7329      1.65522   183.943     40.3253     94.0882     40.3253     
1 1 1 10 12 17 o 48.2878 2.60127 4.15923      0.646216  4.46662      0.645488  31.3711     342.882     3.95506     342.882     
1 1 1 10 12 18 o 13.8553 3.88472 0.182716     0.432866  0.193995     0.397731  28.5434     294.363     65.6551     294.363     
1 1 1 10 12 19 o 41.636  2.92554 3.68495      0.663099  2.79041      0.582158  5.32553     183.293     58.0678     3.29263     
1 1 1 10 12 20 o 38.2475 2.93962 2.62387      0.579143  2.82789      0.566293  6.47355     45.1921     46.8453     225.192     
1 1 1 10 12 21 o 112.733 2.26934 23.8724      1.33018   22.8937      1.31911   114.148     279.579     18.7185     279.579     
1 1 1 10 12 22 o 149.445 2.26015 40.4906      1.75153   41.6377      1.74988   138.404     149.214     4.78548     329.214     
1 1 1 10 12 23 o 53.3893 2.60991 4.80314      0.713837  5.76549      0.717267  33.919      27.6791     20.9384     207.679     
1 1 1 10 12 24 o 95.7178 2.42757 16.705       1.15138   17.0755      1.25247   96.6423     309.725     20.0711     309.725     
1 1 1 10 12 25 o 56.849  2.87231 5.75233      0.841303  6.24406      0.839101  42.4727     307.437     11.6133     127.437     
1 1 1 10 12 26 o 94.5918 2.43941 17.5663      1.25875   15.5026      1.13053   85.0361     244.845     3.46313     64.8451     
1 1 1 10 12 27 o 33.5732 3.32715 1.78794      0.558596  2.50486      0.551953  20.2893     168.552     6.76947     348.552     
1 1 1 10 12 28 o 163.489 2.41783 50.1149      2.04843   48.6425      2.04923   156.383     238.157     7.50855     238.157     
1 1 1 10 12 29 o 93.4686 2.44225 15.8046      1.20619   16.5611      1.1539    78.9274     208.282     14.2993     28.2822     
1 1 1 10 12 30 f 98.1464 2.35122 17.0216      1.19085   18.6923      1.19628   106.705     285.818     0           0           
1 1 1 10 12 31 o 90.7914 2.39815 14.7073      1.12506   15.9105      1.12694   92.8681     170.038     20.4393     170.038     
1 1 1 10 12 32 o 62.1493 2.81896 5.85377      0.869838  8.76261      0.916108  54.4104     315.862     2.3179      135.862     
1 1 1 10 12 33 o 52.2649 3.2675  5.01347      0.869115  5.36028      0.882711  51.728      286.064     11.9241     286.064     
1 1 1 10 12 34 o 21.5957 4.32585 0.855642     0.510886  1.00213      0.503803  10.3147     9.72699     1.52929     9.72699     
1 1 1 10 12 35 o 34.2761 3.44173 2.48492      0.60865   2.08413      0.578462  37.4522     76.8061     20.8835     76.8061     
1 1 1 10 12 36 o 51.8129 2.9186  5.26194      0.789417  4.96022      0.765374  59.459      318.123     28.376      318.123     
1 1 1 10 12 37 o 37.0709 3.31497 2.06512      0.598816  3.33637      0.616488  26.263      358.275     12.0451     178.275     
1 1 1 10 12 38 o 31.0519 3.73278 2.67845      0.578283  1.26702      0.550538  22.3397     64.613      8.13486     244.613     
1 1 1 10 12 39 o 40.2404 3.52069 2.78188      0.713823  3.61622      0.709564  37.8837     53.4006     6.58756     53.4006     
1 1 1 10 12 40 o 62.0338 2.84542 6.84153      0.931839  7.96476      0.877742  53.2538     40.9453     2.43369     220.945     
1 1 1 10 12 41 o 42.2989 3.63636 3.40614      0.728061  3.75053      0.833512  35.8053     187.895     0.974       7.89514     
1 1 1 10 12 42 o 16.9788 4.37051 -0.0192381   0.518245  0.94056      0.572245  2.61109     298.242     20.6493     118.242     
1 1 1 10 12 43 o 32.1335 4.10756 3.00377      0.704481  1.44493      0.604793  27.0766     75.5659     0.976876    75.5659     
1 1 1 10 12 44 o 58.4348 3.06341 6.20341      0.938179  7.34063      0.892434  57.6442     46.3511     15.1223     46.3511     
1 1 1 10 12 45 o 24.6168 4.4803  1.46544      0.581963  1.25647      0.570006  24.3875     165.196     12.5091     165.196     
1 1 1 10 12 46 o 25.0931 4.81275 1.73127      0.625771  1.23678      0.681783  22.9742     52.0245     7.23907     52.0245     
1 1 1 10 12 47 o 26.311  4.62037 0.930539     0.728053  2.37416      0.643138  20.8221     330.71      0.199602    150.71      
1 1 1 10 12 48 o 13.4771 4.14231 0.180489     0.545659  0.130408     0.532564  1.64935     270.377     15.0864     90.3773     
1 1 1 10 12 49 o 15.55   4.40102 0.811442     0.575517  0.035182     0.565684  7.34449     212.504     4.28199     32.5043     
1 1 1 10 12 50 o 14.8554 4.21182 1.09926      0.635241  -0.891819    0.573167  6.89273     249.512     0.934449    69.5116     
1 1 1 10 12 51 o 18.2971 4.74336 1.35315      0.648735  0.330251     0.627836  10.415      138.457     4.48481     318.457     
1 1 1 10 12 52 o 16.6708 3.93911 -1.38025     0.559946  1.68669      0.632014  8.48621     73.9941     1.10588     73.9941     
1 1 1 10 12 53 o 15.4515 4.50224 0.914303     0.612783  -0.0210256   0.647317  5.70577     293.899     1.87517     113.899     
1 1 1 10 12 54 o 13.185  4.1582  0.612991     0.623112  -0.451158    0.597419  1.91506     343.137     1.04958     163.137     
1 1 1 10 12 55 o 17.8228 4.8398  0.411227     0.671729  1.4042       0.678279  10.1448     195.252     2.85795     15.252      
1 1 1 10 12 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 13 0  o 147.217 2.16712 39.807       1.65214   39.807       1.65214   231.79      7.12095e-06 174.516     7.12094e-06 
1 1 1 10 13 1  o 247.18  2.24191 113.82       2.87709   110.575      2.86762   248.306     283.42      15.3727     283.42      
1 1 1 10 13 2  o 167.736 2.17287 49.8696      1.88141   53.4779      1.89585   203.927     317.618     87.0966     317.618     
1 1 1 10 13 3  o 61.8672 2.34187 7.45155      0.752467  6.65918      0.742775  36.8102     17.6014     32.1188     197.601     
1 1 1 10 13 4  o 85.4053 2.22752 13.0977      0.979601  13.7302      0.989075  87.4989     324.639     24.0266     324.639     
1 1 1 10 13 5  o 76.3596 2.26169 11.4683      0.895898  10.0096      0.887905  34.2067     86.3599     71.6317     266.36      
1 1 1 10 13 6  o 201.501 2.1916  74.5471      2.2874    74.5681      2.29086   191.84      239.686     6.2147      59.6862     
1 1 1 10 13 7  o 181.061 2.1713  58.7628      2.03141   61.6512      2.04371   217.698     228.413     88.5454     228.413     
1 1 1 10 13 8  o 22.598  3.41487 0.973627     0.393641  0.97874      0.382101  20.7683     16.6403     58.9168     16.6403     
1 1 1 10 13 9  o 178.27  2.16655 56.0774      1.99894   60.6872      2.003     181.05      47.6688     19.832      47.6688     
1 1 1 10 13 10 o 111.115 2.36504 22.2406      1.36439   23.1692      1.35629   75.2469     196.482     59.0991     16.4824     
1 1 1 10 13 11 o 71.3784 2.36491 9.09434      0.843816  9.6715       0.901538  55.7781     327.537     13.3683     147.537     
1 1 1 10 13 12 o 194.163 2.1951  64.5227      2.19502   74.1243      2.21704   190.821     149.951     8.68854     149.951     
1 1 1 10 13 13 o 14.4771 3.54452 0.566221     0.365252  0.0679856    0.323813  27.7689     278.522     63.5068     278.522     
1 1 1 10 13 14 o 69.2748 2.33215 9.22256      0.840276  8.46001      0.829075  40.3783     181.308     43.6789     1.30826     
1 1 1 10 13 15 o 214.603 2.22986 83.6429      2.48053   85.5696      2.48028   234.922     242.311     58.7386     242.311     
1 1 1 10 13 16 o 234.639 2.26392 101.819      2.75939   100.496      2.74769   246.388     36.7194     42.9902     36.7193     
1 1 1 10 13 17 o 69.0287 2.47834 8.61832      0.856415  8.94886      0.911297  72.3486     77.1574     27.1403     77.1574     
1 1 1 10 13 18 o 42.6695 3.03313 3.24293      0.670557  3.5341       0.650671  3.97959     74.0391     63.6712     254.039     
1 1 1 10 13 19 o 110.191 2.2726  21.1348      1.29243   23.5767      1.29831   112.667     322.034     21.2089     322.034     
1 1 1 10 13 20 o 48.416  2.66312 4.30722      0.667101  4.37448      0.65898   35.1437     319.495     11.1847     319.495     
1 1 1 10 13 21 o 179.546 2.25063 58.8858      2.09777   59.6837      2.09139   210.044     108.3       82.7064     108.3       
1 1 1 10 13 22 o 75.579  2.37102 9.95606      0.923677  11.1283      0.927469  66.9577     202.811     0.615788    202.811     
1 1 1 10 13 23 o 25.8642 3.82308 1.33147      0.502343  1.24204      0.489817  7.82497     344.837     44.9275     344.837     
1 1 1 10 13 24 o 18.5683 3.91125 0.992746     0.448509  0.252843     0.422489  2.27364     245.226     8.00322     245.226     
1 1 1 10 13 25 o 57.8645 2.68026 6.15129      0.763921  6.27032      0.834069  39.7699     269.056     22.949      89.0561     
1 1 1 10 13 26 o 58.9133 2.88368 5.80323      0.848337  7.14736      0.899137  52.4209     128.238     0.0082741   128.223     
1 1 1 10 13 27 o 50.9574 2.94785 5.09209      0.819034  4.61378      0.724993  13.1805     228.265     65.7345     48.2648     
1 1 1 10 13 28 o 28.966  3.53156 1.64475      0.519487  1.57777      0.502787  18.7954     28.7097     1.93812     208.71      
1 1 1 10 13 29 o 54.8777 2.63348 5.05425      0.738677  6.2058       0.744866  52.9791     356.535     9.60245     356.535     
1 1 1 10 13 30 o 64.1814 2.51799 8.16347      0.844686  7.19786      0.822816  41.0284     205.54      33.7157     25.5403     
1 1 1 10 13 31 o 29.1273 3.54738 1.32364      0.508504  1.99235      0.514202  19.3851     126.368     6.00175     306.368     
1 1 1 10 13 32 o 135.486 2.43009 33.1399      1.7611    35.2858      1.64308   144.435     248.776     41.6877     248.776     
1 1 1 10 13 33 o 46.6154 3.77065 4.27187      0.896618  4.14076      0.892721  44.6138     122.268     8.07658     122.268     
1 1 1 10 13 34 o 34.0893 3.84627 2.55823      0.633436  2.02917      0.66871   35.062      19.2662     14.7713     19.2662     
1 1 1 10 13 35 o 60.1038 2.78571 6.72755      0.872595  6.9646       0.852884  65.7787     296.969     25.2112     296.969     
1 1 1 10 13 36 o 28.0227 3.81353 1.3445       0.5331    1.80204      0.532344  19.8112     287.271     7.44118     107.271     
1 1 1 10 13 37 o 13.2813 3.74434 -0.480936    0.415784  0.543879     0.468721  3.34622     85.9558     26.0729     85.9558     
1 1 1 10 13 38 o 10.9942 3.54028 -0.229371    0.396823  -0.191636    0.485642  0.220579    347.046     1.71513     167.046     
1 1 1 10 13 39 o 53.702  3.29351 5.33609      0.953362  5.93928      0.848078  47.5974     224.972     1.55861     224.972     
1 1 1 10 13 40 o 54.0932 3.0127  5.6311       0.865292  5.73204      0.808608  55.7258     24.7048     17.9355     24.7048     
1 1 1 10 13 41 o 40.41   3.73942 2.94509      0.778277  3.67533      0.731453  42.7808     140.072     17.8518     140.072     
1 1 1 10 13 42 o 24.3932 4.32688 1.14582      0.543167  1.41298      0.552207  17.2914     272.969     4.17789     92.9686     
1 1 1 10 13 43 o 30.7306 4.05913 1.2209       0.605068  2.91772      0.625088  17.5105     96.4258     16.2803     276.426     
1 1 1 10 13 44 o 45.0459 3.24875 3.66114      0.736157  4.56701      0.75227   40.9193     203.971     5.68905     203.971     
1 1 1 10 13 45 o 34.3931 3.88801 2.38234      0.667516  2.69239      0.67006   31.3489     90.537      5.99066     90.537      
1 1 1 10 13 46 o 34.5725 3.89525 2.57082      0.664467  2.63649      0.684853  28.2587     203.329     0.50374     23.3285     
1 1 1 10 13 47 o 24.34   5.13167 1.31325      0.704482  1.72147      0.701397  18.1574     69.4891     1.0832      249.489     
1 1 1 10 13 48 o 14.9889 4.42225 0.817431     0.656365  -0.167322    0.541647  6.35623     203.492     5.07504     23.492      
1 1 1 10 13 49 o 14.1279 3.9459  0.905163     0.537368  -0.70165     0.509143  5.70149     271.466     4.77991     91.4664     
1 1 1 10 13 50 o 11.7833 3.84909 -0.481547    0.550248  0.142311     0.571145  2.32888     197.212     6.69724     17.2118     
1 1 1 10 13 51 o 17.044  4.58573 1.03894      0.586305  0.389327     0.585849  7.87499     244.755     1.98236     244.755     
1 1 1 10 13 52 o 11.1959 3.71903 -0.613391    0.557541  0.0542641    0.562739  0.275773    29.9408     2.10479     209.941     
1 1 1 10 13 53 f 10.2932 3.52936 -0.225798    0.613017  -0.872115    0.544071  2.07267     323.046     0           0           
1 1 1 10 13 54 o 11.6226 3.85693 -0.213417    0.562045  -0.0405032   0.612633  1.74504     198.824     3.07884     18.8235     
1 1 1 10 13 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 14 0  o 121.284 2.15507 27.0361      1.35293   27.0361      1.35293   138.599     180         40.5931     180         
1 1 1 10 14 1  o 140.882 2.15837 36.1648      1.57729   36.7306      1.57503   125.821     95.5672     16.2772     275.567     
1 1 1 10 14 2  o 40.585  2.59394 3.01543      0.540314  3.08861      0.539236  10.0792     103.282     84.5008     103.282     
1 1 1 10 14 3  o 189.274 2.18052 65.799       2.14126   65.7813      2.13744   167.482     157.134     29.1573     337.134     
1 1 1 10 14 4  f 148.773 2.1478  40.8401      1.66015   40.4496      1.65251   140.837     265.106     0           0           
1 1 1 10 14 5  o 135.389 2.14578 33.3016      1.50521   34.022       1.50649   83.5697     192.177     91.164      12.177      
1 1 1 10 14 6  o 124.328 2.16481 27.7009      1.3931    29.0994      1.39545   94.1123     178.156     47.1946     358.156     
1 1 1 10 14 7  o 18.5576 3.32843 1.03294      0.352209  0.271459     0.34177   16.7552     80.4002     42.5728     80.4002     
1 1 1 10 14 8  o 109.975 2.17471 22.2652      1.2354    22.1943      1.24159   103.676     267.299     2.45903     267.299     
1 1 1 10 14 9  f 128.657 2.15737 30.2432      1.43756   30.5573      1.43994   71.6087     111.056     0           0           
1 1 1 10 14 10 o 85.6427 2.40333 13.7181      1.06885   13.2817      1.06068   67.5389     311.446     21.5436     131.446     
1 1 1 10 14 11 o 67.3613 2.41994 7.97075      0.813173  8.75874      0.871588  53.7835     251.669     9.90721     71.6691     
1 1 1 10 14 12 o 198.612 2.21321 72.4611      2.27742   72.4654      2.27969   210.466     288.747     41.5073     288.747     
1 1 1 10 14 13 o 171.241 2.22081 53.242       1.96626   54.5066      1.97621   171.803     249.602     17.7904     249.602     
1 1 1 10 14 14 o 172.825 2.21163 54.4932      1.97746   55.262       1.98511   171.161     244.645     13.667      244.645     
1 1 1 10 14 15 o 70.6963 2.34557 9.2901       0.861678  9.12411      0.852654  30.9506     71.0408     67.2298     251.041     
1 1 1 10 14 16 o 134.175 2.2228  33.8536      1.55286   32.3296      1.53878   128.508     321.639     4.94884     321.639     
1 1 1 10 14 17 f 134.543 2.29876 31.906       1.54327   34.6848      1.66379   136.248     171.366     0           0           
1 1 1 10 14 18 o 38.6723 3.14167 3.01392      0.63684   2.58196      0.599176  15.9635     230.308     18.6454     50.3082     
1 1 1 10 14 19 o 129.833 2.24144 32.6306      1.51737   29.4337      1.49631   132.363     241.716     23.5771     241.716     
1 1 1 10 14 20 o 44.116  2.72344 3.77461      0.621885  3.45702      0.610687  10.9272     133.178     49.7883     313.178     
1 1 1 10 14 21 f 116.12  2.24527 24.2295      1.34664   25.4501      1.35329   96.201      282.478     0           0           
1 1 1 10 14 22 o 34.4824 3.10473 2.26391      0.550058  2.20333      0.534725  10.1384     347.909     0.117677    167.909     
1 1 1 10 14 23 o 88.8475 2.30553 14.8861      1.0666    14.2557      1.05328   98.9114     261.845     37.2192     261.845     
1 1 1 10 14 24 o 17.2368 3.69201 0.0182222    0.416539  0.941452     0.410871  13.2659     112.549     47.3958     112.549     
1 1 1 10 14 25 o 60.7586 2.61266 6.29324      0.813954  7.44029      0.819821  45.93       337.204     17.767      157.204     
1 1 1 10 14 26 o 90.7032 2.61386 15.7194      1.16712   14.8141      1.2786    109.942     156.626     55.264      156.626     
1 1 1 10 14 27 o 55.859  2.89568 5.96946      0.840917  5.69857      0.824277  48.9019     280.555     1.08994     100.555     
1 1 1 10 14 28 o 85.2134 2.51303 13.3361      1.1569    13.6596      1.05431   83.5724     110.897     12.5631     110.897     
1 1 1 10 14 29 o 97.2976 2.37096 16.8479      1.19039   18.3458      1.19618   98.9616     216.543     21.049      216.543     
1 1 1 10 14 30 o 29.7399 3.46811 1.6129       0.517827  1.81048      0.512797  12.0004     318.94      25.3258     138.94      
1 1 1 10 14 31 o 40.0012 2.97365 3.38952      0.614613  2.70582      0.595181  35.7522     281.673     3.31639     281.673     
1 1 1 10 14 32 o 51.1195 3.11562 4.5893       0.842954  5.37368      0.77992   38.5294     7.43355     13.5538     187.434     
1 1 1 10 14 33 o 42.9298 4.11096 3.82068      0.872288  3.45896      0.905276  35.4483     306.212     3.86405     126.212     
1 1 1 10 14 34 o 19.6591 4.80427 0.281262     0.51468   1.18916      0.719457  6.0084      249.581     18.617      69.5807     
1 1 1 10 14 35 o 18.8535 4.4657  0.909951     0.537888  0.430637     0.516112  8.61228     334.979     11.4329     154.979     
1 1 1 10 14 36 o 25.707  4.1067  1.14738      0.557864  1.55195      0.515118  25.4901     304.282     14.0303     304.282     
1 1 1 10 14 37 o 30.9078 3.79598 2.71538      0.583749  1.24256      0.559298  16.0684     302.139     20.5302     122.139     
1 1 1 10 14 38 o 33.9051 3.74046 1.69903      0.592821  3.00674      0.657989  21.5097     92.7262     14.7356     272.726     
1 1 1 10 14 39 o 20.3254 4.54682 0.866658     0.532063  0.856976     0.541173  14.9869     351.3       2.14255     351.3       
1 1 1 10 14 40 o 11.3257 3.59561 -0.271605    0.441137  -0.0191609   0.443882  4.74819     214.435     24.5812     214.435     
1 1 1 10 14 41 o 10.0113 3.31226 -0.372178    0.432014  -0.319684    0.425645  1.46402     7.03495     12.5485     7.03495     
1 1 1 10 14 42 o 9.56389 3.19385 -0.325436    0.425483  -0.45314     0.40438   0.249218    123.341     6.88113     123.341     
1 1 1 10 14 43 o 31.39   3.89086 2.23397      0.615106  1.94899      0.60396   25.8143     5.8852      0.0332065   185.886     
1 1 1 10 14 44 o 20.3622 4.55635 0.77162      0.548484  1.11849      0.543891  16.3248     200.245     3.04884     200.245     
1 1 1 10 14 45 o 11.8262 3.73895 -0.107676    0.468779  0.0247683    0.471909  3.46607     142.561     3.00472     322.561     
1 1 1 10 14 46 o 20.7056 4.58233 1.30007      0.565787  0.760495     0.556706  17.2264     339.358     7.40625     339.358     
1 1 1 10 14 47 o 14.6045 4.33204 0.551457     0.538942  -0.0173446   0.62114   6.01843     169.526     2.05951     349.526     
1 1 1 10 14 48 o 17.2348 4.80769 0.865524     0.646424  0.539505     0.62948   9.88089     142.377     2.62737     142.377     
1 1 1 10 14 49 o 12.4661 3.92361 -0.331998    0.552256  0.327667     0.51622   3.54248     189.968     4.27117     9.96825     
1 1 1 10 14 50 o 20.4075 4.81241 0.713811     0.60566   1.57526      0.64818   13.98       29.5692     0.476793    29.5693     
1 1 1 10 14 51 o 12.0141 3.85017 -0.0597581   0.509283  0.104318     0.526502  0.192883    4.18746     0.519667    184.187     
1 1 1 10 14 52 o 11.2728 3.72356 -0.716901    0.542986  0.192493     0.566514  0.778368    45.6901     6.38604     225.69      
1 1 1 10 14 53 o 21.013  5.2919  1.64811      0.727667  1.22233      0.748482  12.9762     232.09      7.65407     232.09      
1 1 1 10 14 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 15 0  o 108.031 2.17977 21.464       1.2184    21.464       1.2184    126.39      8.58589e-06 43.6073     8.5859e-06  
1 1 1 10 15 1  o 360.196 2.46775 241.236      4.6109    235.66       4.60382   356.864     284.694     18.7256     284.694     
1 1 1 10 15 2  o 172.929 2.16949 55.5803      1.94212   54.2723      1.94704   163.839     288.119     2.19066     108.119     
1 1 1 10 15 3  o 60.34   2.38405 6.19484      0.737618  7.24761      0.744744  28.4902     61.8621     48.8912     241.862     
1 1 1 10 15 4  o 42.6281 2.60592 3.32515      0.571028  3.40602      0.569218  19.542      141.125     17.8078     321.125     
1 1 1 10 15 5  o 99.3153 2.23504 17.3918      1.14913   18.8981      1.1476    78.2984     137.92      27.9789     317.92      
1 1 1 10 15 6  o 141.062 2.16013 35.5991      1.57665   37.5089      1.58167   174.157     235.23      84.3557     235.23      
1 1 1 10 15 7  o 32.6637 2.77494 2.01448      0.464032  1.96659      0.45686   4.45568     288.073     22.5698     108.073     
1 1 1 10 15 8  o 165.97  2.16783 51.3876      1.8662    49.8166      1.86355   170.1       132.04      25.1115     132.04      
1 1 1 10 15 9  o 63.2902 2.34605 6.6175       0.757737  8.18691      0.770773  61.9315     285.368     19.8392     285.368     
1 1 1 10 15 10 o 131.068 2.3517  30.6834      1.5897    32.4957      1.60379   117.16      82.417      12.7204     262.417     
1 1 1 10 15 11 o 128.774 2.2524  30.8781      1.45282   30.0902      1.54976   113.43      57.4554     15.4525     237.455     
1 1 1 10 15 12 o 119.206 2.20475 25.874       1.36157   26.3879      1.36069   90.7333     172.793     42.2497     352.793     
1 1 1 10 15 13 o 93.1218 2.24269 16.7738      1.0891    15.1609      1.07157   78.4437     32.3015     14.2482     212.302     
1 1 1 10 15 14 o 131.564 2.20266 31.2795      1.50225   32.355       1.50173   139.438     271.342     33.67       271.342     
1 1 1 10 15 15 o 128.358 2.2067  29.5978      1.46677   30.9864      1.46918   116.067     273.102     7.34997     93.1015     
1 1 1 10 15 16 o 43.8688 2.65054 3.58331      0.603043  3.55525      0.590847  18.2679     165.033     5.48339     165.033     
1 1 1 10 15 17 o 130.835 2.31482 30.6304      1.51869   32.3957      1.62008   126.772     351.091     10.8158     351.091     
1 1 1 10 15 18 o 67.5043 2.56105 8.1344       0.896697  8.70879      0.887872  71.2014     247.949     32.3516     247.949     
1 1 1 10 15 19 o 87.4693 2.31041 14.5763      1.05548   13.6461      1.03564   87.559      49.0604     17.9321     49.0604     
1 1 1 10 15 20 o 77.9022 2.34069 11.0542      0.944639  11.3504      0.941278  58.6717     16.5891     23.6814     196.589     
1 1 1 10 15 21 o 64.9437 2.41129 8.11634      0.816328  7.4901       0.800998  54.8249     80.4195     5.8498      260.42      
1 1 1 10 15 22 o 48.1664 2.66187 4.41744      0.665961  4.21323      0.652654  36.0501     281.185     11.5296     101.185     
1 1 1 10 15 23 o 20.0963 3.60319 1.27719      0.42751   0.275747     0.398924  2.67992     176.284     12.4696     356.284     
1 1 1 10 15 24 o 60.7366 2.63668 6.09957      0.806994  7.66136      0.840208  60.1174     115.972     12.3806     115.972     
1 1 1 10 15 25 o 67.9015 2.55381 8.62773      0.891605  8.51056      0.899566  64.5443     229.87      7.20211     229.87      
1 1 1 10 15 26 o 108.838 2.31543 22.1174      1.31012   21.7901      1.29951   112.282     147.505     25.6938     147.505     
1 1 1 10 15 27 o 12.3079 3.67423 0.0370272    0.374195  0.0492587    0.428913  5.26893     60.7861     17.0104     60.7861     
1 1 1 10 15 28 o 34.6338 3.62687 2.85183      0.636998  1.82732      0.607007  2.34001     57.522      55.476      237.522     
1 1 1 10 15 29 o 32.9858 3.94303 1.53079      0.590654  2.82068      0.701387  17.2968     107.812     21.098      287.813     
1 1 1 10 15 30 o 72.1444 2.44073 9.96934      0.915986  9.50515      0.904067  68.2929     208.327     7.2262      208.327     
1 1 1 10 15 31 o 63.1804 2.74382 6.68004      0.918311  8.43275      0.849551  51.9907     72.6199     8.81213     252.62      
1 1 1 10 15 32 o 12.5354 3.4958  -0.947621    0.453936  0.51772      0.410529  5.63815     32.5494     28.1024     32.5494     
1 1 1 10 15 33 o 41.925  3.40354 2.94077      0.693692  3.90323      0.753404  33.9535     201.955     5.23865     21.955      
1 1 1 10 15 34 f 19.2992 4.24011 0.461385     0.504186  0.976511     0.472504  21.5213     323.995     0           0           
1 1 1 10 15 35 o 18.0595 4.42645 0.661515     0.498164  0.568757     0.514799  8.11484     42.8226     10.4131     222.823     
1 1 1 10 15 36 o 41.7337 3.34012 4.11038      0.669126  2.76998      0.710141  38.1521     136.389     4.64874     136.389     
1 1 1 10 15 37 o 32.5666 3.57326 2.17132      0.576959  2.0716       0.58965   37.5621     245.378     24.2285     245.378     
1 1 1 10 15 38 o 42.5372 3.44049 3.229        0.735207  3.97167      0.747805  33.3311     174.588     6.15372     354.588     
1 1 1 10 15 39 f 41.4264 3.2117  3.51432      0.682693  3.27008      0.673534  31.4434     277.964     0           0           
1 1 1 10 15 40 o 18.141  4.4409  0.917665     0.527049  0.370336     0.53152   11.7398     229.641     0.799693    49.6407     
1 1 1 10 15 41 o 49.5685 3.21368 4.92295      0.808318  4.90356      0.82461   45.7993     93.2343     7.37821     93.2343     
1 1 1 10 15 42 o 19.3856 4.49193 1.01772      0.532638  0.626778     0.527128  9.67305     35.0884     10.4984     215.088     
1 1 1 10 15 43 o 13.6565 3.95071 -0.181534    0.481662  0.508795     0.470585  6.02763     345.713     4.41409     165.713     
1 1 1 10 15 44 o 18.4067 4.35595 1.09907      0.522914  0.387252     0.517701  13.47       106.426     6.77208     106.426     
1 1 1 10 15 45 f 34.6433 3.97653 2.08111      0.665272  3.29569      0.691097  25.1614     50.8638     0           0           
1 1 1 10 15 46 o 11.8749 3.78369 0.188648     0.513382  -0.347468    0.489911  1.3625      245.377     1.68193     65.3774     
1 1 1 10 15 47 o 31.0186 4.3396  1.67717      0.66842   2.97479      0.675226  33.1834     296.2       19.7614     296.2       
1 1 1 10 15 48 o 14.808  4.34281 0.655986     0.540918  0.044954     0.613621  6.96383     151.926     1.60517     331.926     
1 1 1 10 15 49 o 15.4883 4.56768 1.1226       0.733972  -0.160512    0.541813  2.11544     83.8512     0.382294    83.8512     
1 1 1 10 15 50 o 13.4553 4.13241 0.467561     0.54602   -0.0241956   0.551446  2.86961     247.984     5.15243     67.9837     
1 1 1 10 15 51 o 16.0878 4.56908 0.40074      0.612078  0.851343     0.583312  5.78455     346.605     0.601716    346.605     
1 1 1 10 15 52 o 10.4035 3.5066  0.182156     0.56524   -1.15185     0.503981  0.461955    176.549     5.40056     356.549     
1 1 1 10 15 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 16 0  o 98.4643 2.21513 17.8444      1.128     17.8444      1.128     89.53       180         10.0777     360         
1 1 1 10 16 1  o 65.1407 2.35359 7.78291      0.787941  7.85504      0.796229  55.6404     129.53      1.9955      309.529     
1 1 1 10 16 2  o 60.5812 2.35105 6.82593      0.736582  6.70519      0.734321  53.5603     196.076     5.13753     196.076     
1 1 1 10 16 3  o 109.178 2.18476 21.3199      1.22916   22.5223      1.2408    97.4703     28.1378     8.48526     208.138     
1 1 1 10 16 4  o 37.4645 2.64621 2.81948      0.510399  2.40349      0.501484  33.0698     114.064     131.041     114.064     
1 1 1 10 16 5  o 76.9612 2.2083  11.58        0.883417  10.2427      0.872925  85.8808     253.64      38.6686     253.64      
1 1 1 10 16 6  o 141.618 2.25129 35.9564      1.58006   37.7694      1.72486   130.174     64.2341     6.24734     244.234     
1 1 1 10 16 7  o 136.61  2.36158 33.9789      1.67478   34.6403      1.66966   131.413     55.6468     6.51793     55.6469     
1 1 1 10 16 8  o 21.8042 3.69744 0.732451     0.421862  1.09596      0.41031   30.7075     28.491      89.487      28.491      
1 1 1 10 16 9  o 112.786 2.31045 22.1215      1.39938   24.7261      1.2874    109.611     302.786     10.4323     302.786     
1 1 1 10 16 10 o 17.6322 3.63921 0.705988     0.40627   0.47509      0.301918  19.5397     93.2213     51.7876     93.2213     
1 1 1 10 16 11 o 150.199 2.47471 41.0892      1.84004   41.9214      2.01115   144.371     87.8619     7.38179     87.8619     
1 1 1 10 16 12 o 159.534 2.36209 47.7588      1.95565   45.8835      1.95058   166.935     327.012     35.4001     327.012     
1 1 1 10 16 13 o 51.0099 2.62501 4.38179      0.646351  5.27283      0.733188  25.7295     211.393     33.1492     31.3929     
1 1 1 10 16 14 o 57.9851 2.3784  6.47223      0.717028  5.95122      0.706034  34.4823     257.569     29.9416     77.5693     
1 1 1 10 16 15 o 58.5728 2.39999 6.04975      0.726546  6.63255      0.723172  34.5139     172.066     31.9439     352.066     
1 1 1 10 16 16 o 82.4108 2.28108 11.7807      0.969259  13.2869      0.973382  67.2618     237.669     14.1015     57.6688     
1 1 1 10 16 17 o 26.7563 3.45985 1.4081       0.474304  1.32716      0.450158  0.156871    206.774     30.3863     26.7743     
1 1 1 10 16 18 f 105.255 2.43385 19.8473      1.33194   21.0661      1.31896   72.5153     139.579     0           0           
1 1 1 10 16 19 o 67.1761 2.35947 8.91853      0.827808  7.78909      0.808523  61.7892     225.051     3.62848     225.051     
1 1 1 10 16 20 o 22.6272 3.67971 1.15036      0.428365  0.839346     0.420007  5.29955     189.883     16.6093     9.88331     
1 1 1 10 16 21 o 43.7763 2.68896 3.51478      0.608028  3.6349       0.599883  28.2338     194.833     19.6777     14.8333     
1 1 1 10 16 22 o 76.1184 2.37678 10.2124      0.935685  11.2688      0.93338   77.2094     89.0211     16.9526     89.0211     
1 1 1 10 16 23 o 47.2301 2.73967 3.67142      0.653011  4.69763      0.67018   43.4715     3.59266     6.06589     3.59266     
1 1 1 10 16 24 o 10.6484 3.46145 -0.247475    0.31303   -0.224527    0.528415  5.05331     291.253     13.4964     291.253     
1 1 1 10 16 25 o 85.8842 2.44755 12.7744      1.02573   14.6882      1.15019   74.5184     8.91898     6.58104     188.919     
1 1 1 10 16 26 o 31.4065 3.47008 1.69552      0.575711  2.11355      0.50046   26.893      95.085      11.0485     95.085      
1 1 1 10 16 27 o 42.7995 3.17536 3.96935      0.783849  3.03036      0.607224  40.6902     271.25      8.64415     271.25      
1 1 1 10 16 28 o 23.5647 3.79528 1.48658      0.471448  0.743677     0.451941  8.1925      122.327     20.9306     302.327     
1 1 1 10 16 29 o 48.0973 3.05382 4.11159      0.752016  4.70624      0.751278  36.1946     281.15      12.3209     101.15      
1 1 1 10 16 30 o 41.6663 3.10622 3.36306      0.703245  3.29132      0.615513  23.8227     326.406     25.44       146.406     
1 1 1 10 16 31 o 35.6918 3.70451 2.24622      0.708193  2.76382      0.59423   28.6451     276.051     3.86973     96.0512     
1 1 1 10 16 32 o 16.8623 4.3636  0.467846     0.509396  0.499266     0.486553  2.18555     6.26525     21.5261     186.265     
1 1 1 10 16 33 o 56.2535 2.76357 5.85689      0.776901  6.19098      0.824897  51.1338     11.3874     3.45255     11.3874     
1 1 1 10 16 34 o 68.7423 2.56983 9.04129      0.913014  8.88656      0.911858  61.7869     1.13744     2.57618     1.13744     
1 1 1 10 16 35 o 27.0713 4.12654 1.23387      0.589114  1.80039      0.537921  20.9387     312.394     2.10419     132.394     
1 1 1 10 16 36 o 26.2154 4.27249 1.62349      0.560785  1.25655      0.580576  21.7235     303.789     1.86035     303.789     
1 1 1 10 16 37 o 11.502  3.62734 -0.410029    0.380012  0.159688     0.5051    1.03016     61.3937     5.25547     241.394     
1 1 1 10 16 38 o 27.9255 4.30382 1.49986      0.610014  1.8122       0.601886  26.3559     355.801     8.89355     355.801     
1 1 1 10 16 39 o 11.8499 3.62058 0.277433     0.441802  -0.432026    0.425999  2.0416      119.007     3.26483     299.007     
1 1 1 10 16 40 o 40.8052 3.58751 4.02029      0.729408  2.84584      0.73007   39.9247     75.5756     11.6463     75.5756     
1 1 1 10 16 41 o 21.6449 4.57594 1.08661      0.564925  1.03786      0.540981  18.1226     337.308     4.4015      337.308     
1 1 1 10 16 42 o 24.1217 4.45583 1.60853      0.570919  1.07202      0.573057  18.6515     193.805     0.561401    13.8046     
1 1 1 10 16 43 o 11.5823 3.70098 -0.17681     0.46501   -0.00980473  0.484201  1.51573     101.694     0.942931    281.694     
1 1 1 10 16 44 o 14.5837 4.19389 0.189375     0.495077  0.506366     0.51107   6.52592     222.028     1.08616     42.0281     
1 1 1 10 16 45 f 17.6599 4.63328 0.569338     0.569548  0.893339     0.572713  10.2415     169.464     0           0           
1 1 1 10 16 46 o 10.184  3.4017  -0.233425    0.481525  -0.417835    0.461551  0.37555     353.488     2.04953     173.488     
1 1 1 10 16 47 o 11.3469 3.68701 -0.191094    0.493768  -0.0279843   0.500114  1.82471     335.741     3.50325     155.741     
1 1 1 10 16 48 o 11.4277 3.76444 -0.0572074   0.574422  -0.266659    0.509444  1.15142     209.999     5.50484     29.9993     
1 1 1 10 16 49 o 15.3069 4.6495  0.998588     0.72856   -0.326695    0.70675   5.28065     159.433     4.08308     339.433     
1 1 1 10 16 50 o 12.3311 4.02612 0.279297     0.660796  -0.328104    0.533287  1.95257     106.24      5.12097     286.24      
1 1 1 10 16 51 o 18.3382 4.91313 0.96156      0.650842  1.05121      0.634614  11.3808     111.685     0.833255    111.685     
1 1 1 10 16 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 17 0  o 69.2278 2.31864 8.85645      0.827771  8.85645      0.827771  54.024      360         23.6949     180         
1 1 1 10 17 1  o 55.2413 2.42252 5.59865      0.693756  5.66974      0.686698  23.4742     284.706     48.6118     104.706     
1 1 1 10 17 2  o 74.4488 2.28269 9.94646      0.877067  10.476       0.880207  80.5789     39.5285     34.7548     39.5285     
1 1 1 10 17 3  o 113.764 2.20491 23.5875      1.29728   24.031       1.30071   94.8819     37.8796     21.0118     217.88      
1 1 1 10 17 4  o 40.4862 2.82488 3.42669      0.554859  2.69207      0.600146  16.8618     61.0126     24.1743     241.013     
1 1 1 10 17 5  o 28.877  3.31615 1.43762      0.478567  1.7241       0.477455  0.21666     17.6185     26.4519     17.6186     
1 1 1 10 17 6  o 74.8864 2.82161 10.7224      1.08979   10.0053      1.09177   46.664      197.88      41.1492     17.8803     
1 1 1 10 17 7  o 166.697 2.63914 51.0864      2.27398   51.2553      2.28691   173.025     60.0396     34.4347     60.0396     
1 1 1 10 17 8  o 71.1664 2.84508 10.1698      1.04199   8.59348      1.04257   28.2935     204.995     71.4842     24.9951     
1 1 1 10 17 9  o 128.899 2.66269 31.6445      1.78379   29.6455      1.76958   99.7949     151.931     39.7425     331.931     
1 1 1 10 17 10 o 93.2409 3.08598 15.3407      1.47423   16.8485      1.49908   93.135      48.5306     18.9688     48.5305     
1 1 1 10 17 11 f 40.8571 3.82197 2.57928      0.721131  3.77337      0.855131  46.0752     341.998     0           0           
1 1 1 10 17 12 f 91.806  2.77728 15.3507      1.31936   15.8072      1.31761   87.061      49.4501     0           0           
1 1 1 10 17 13 o 58.3531 3.02053 6.02747      0.900408  6.63188      0.913109  49.7864     11.02       0.776417    11.02       
1 1 1 10 17 14 o 102.067 2.75477 19.0826      1.44725   19.4484      1.46238   92.4262     266.614     2.16954     86.6141     
1 1 1 10 17 15 o 80.0922 2.7708  12.5438      1.07037   11.2366      1.20816   79.6085     217.856     15.2152     217.856     
1 1 1 10 17 16 o 101.438 2.46368 19.1652      1.29238   18.8656      1.29456   70.3107     283.686     46.4796     103.686     
1 1 1 10 17 17 o 93.5144 2.6186  17.3146      1.20001   15.11        1.3178    94.1909     96.2328     17.1309     96.2328     
1 1 1 10 17 18 o 50.3413 2.60804 4.79164      0.705544  4.63621      0.645581  50.5212     242.24      14.6614     242.24      
1 1 1 10 17 19 o 143.162 2.5003  38.2044      1.66471   37.6662      2.02328   140.427     47.7101     16.6133     47.71       
1 1 1 10 17 20 o 72.7346 2.34559 10.4905      0.885954  9.14238      0.875518  63.4632     308.858     4.37597     128.858     
1 1 1 10 17 21 o 68.9015 2.58712 8.35116      0.942037  9.32458      0.893539  59.9588     58.1895     3.77902     238.189     
1 1 1 10 17 22 o 15.4718 3.93196 0.741315     0.519213  0.0397747    0.321315  6.97332     324.297     30.1624     324.297     
1 1 1 10 17 23 o 40.5958 2.87292 2.71253      0.598647  3.52171      0.58185   23.55       70.565      22.8181     250.565     
1 1 1 10 17 24 o 44.1327 2.7556  3.34235      0.617589  3.9967       0.626682  33.8547     234.254     8.58749     54.2542     
1 1 1 10 17 25 o 14.8856 3.60472 0.0383302    0.367789  0.63162      0.365271  0.15561     266.529     10.9442     266.529     
1 1 1 10 17 26 o 13.2319 3.65819 0.220935     0.362439  0.208893     0.364996  5.65781     315.154     26.7825     315.154     
1 1 1 10 17 27 o 14.4429 3.76614 0.421798     0.385223  0.227768     0.364453  0.296864    301.052     17.1843     301.052     
1 1 1 10 17 28 o 88.5254 2.40055 13.4931      1.0927    15.9235      1.10104   81.6878     294.13      4.70939     294.13      
1 1 1 10 17 29 o 15.5105 3.91895 0.438355     0.402339  0.390094     0.394771  5.40794     348.607     5.58208     168.607     
1 1 1 10 17 30 o 43.3891 3.48832 4.39297      0.77975   2.9838       0.741205  43.1142     338.205     11.1933     338.205     
1 1 1 10 17 31 o 39.8742 3.96875 3.0938       0.887135  3.21762      0.682894  34.5982     238.544     0.626169    238.544     
1 1 1 10 17 32 o 64.7122 2.817   7.31092      0.89543   8.70113      0.985591  59.4065     254.63      5.12718     254.63      
1 1 1 10 17 33 o 43.2993 3.04672 3.30822      0.651747  3.97129      0.696496  41.1095     128.583     7.97713     128.583     
1 1 1 10 17 34 o 51.9875 2.76805 5.29262      0.739558  5.08981      0.741072  45.822      43.7393     1.69965     43.7393     
1 1 1 10 17 35 o 25.3905 4.04644 1.80663      0.537317  0.913247     0.522099  11.4658     109.489     18.7792     289.489     
1 1 1 10 17 36 o 9.39916 3.05483 0.0829814    0.386162  -0.974541    0.356932  1.33411     102.656     8.52111     102.656     
1 1 1 10 17 37 o 17.9964 4.37714 -0.0480907   0.546767  1.14826      0.581413  8.16683     160.839     10.2256     340.839     
1 1 1 10 17 38 o 42.9111 3.51472 3.42541      0.750731  4.06007      0.781031  37.9028     279.257     3.49714     279.257     
1 1 1 10 17 39 o 40.3664 3.37087 3.42739      0.664432  3.19744      0.713867  35.6273     128.725     3.6795      128.725     
1 1 1 10 17 40 o 25.6796 4.13749 2.34371      0.594544  0.660266     0.573698  24.7176     21.7155     9.9295      21.7155     
1 1 1 10 17 41 o 18.656  4.25746 0.380189     0.503513  1.13056      0.503847  7.76537     266.703     5.189       266.703     
1 1 1 10 17 42 o 17.7945 4.33187 1.00837      0.516442  0.376056     0.500702  12.5199     334.784     4.38962     334.784     
1 1 1 10 17 43 o 12.4014 3.80937 0.339953     0.473271  -0.307548    0.485319  2.84432     103.005     2.52665     283.005     
1 1 1 10 17 44 o 18.6091 4.59847 0.460971     0.581793  1.17916      0.574976  12.6953     138.559     3.44041     138.559     
1 1 1 10 17 45 o 22.7277 4.73092 1.35561      0.609186  1.3018       0.580321  14.5673     86.9993     10.4389     86.9993     
1 1 1 10 17 46 o 16.0339 4.34769 0.912473     0.546444  0.215976     0.520027  8.63103     341.211     0.425687    161.211     
1 1 1 10 17 47 o 17.0386 4.5988  0.713873     0.568383  0.757699     0.561598  8.95619     125.263     1.31349     305.263     
1 1 1 10 17 48 o 20.2317 4.82527 0.639425     0.622225  1.63129      0.659936  13.2424     345.792     3.79115     345.792     
1 1 1 10 17 49 o 24.5977 4.95084 2.21885      0.676719  1.2417       0.739804  18.5604     312.707     12.7011     312.707     
1 1 1 10 17 50 o 13.5762 4.36857 0.444677     0.688059  -0.106039    0.67767   3.87844     178.119     6.83796     358.119     
1 1 1 10 17 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 18 0  f 117.793 2.23045 25.5343      1.35968   25.5343      1.35968   79.6155     360         0           0           
1 1 1 10 18 1  o 124.36  2.20478 29.7493      1.42389   27.2076      1.41558   110.806     221.201     7.85468     41.2012     
1 1 1 10 18 2  o 54.5686 2.40127 5.17835      0.673586  5.83925      0.676335  34.2436     101.055     23.1232     281.055     
1 1 1 10 18 3  f 66.3058 2.502   8.35124      0.860815  7.89532      0.852528  43.4758     100.348     0           0           
1 1 1 10 18 4  o 153.006 2.63749 43.8416      2.09524   42.4765      2.08818   146.094     22.7792     7.96904     22.7791     
1 1 1 10 18 5  f 104.842 2.70807 20.9393      1.46688   19.6672      1.47037   70.0589     171.412     0           0           
1 1 1 10 18 6  o 96.0391 2.72114 17.1632      1.34322   16.9203      1.36037   108.818     49.0483     45.6328     49.0483     
1 1 1 10 18 7  f 59.6055 2.96947 6.25311      0.901911  6.94704      0.920154  43.3542     68.605      0           0           
1 1 1 10 18 8  o 25.5263 4.13419 2.065        0.579253  0.488535     0.576256  0.719726    319.183     27.3892     319.183     
1 1 1 10 18 9  o 27.7442 4.25885 1.3116       0.583175  1.67588      0.608278  4.52378     269.513     6.6765      89.5133     
1 1 1 10 18 10 o 86.1052 3.16614 14.2285      1.41106   13.3138      1.40453   57.9068     351.066     41.4106     171.066     
1 1 1 10 18 11 o 52.0696 3.36514 5.18146      0.841139  4.96341      0.948419  43.3856     135.625     2.10389     315.625     
1 1 1 10 18 12 o 56.4559 3.08003 6.02227      0.89362   5.86093      0.894992  67.295      338.082     46.9931     338.082     
1 1 1 10 18 13 o 26.9573 4.3909  1.47104      0.595062  1.36322      0.607119  11.578      41.0519     13.9275     221.052     
1 1 1 10 18 14 o 38.7288 3.58426 2.62763      0.68952   3.06506      0.713009  36.9619     221.513     17.3749     221.513     
1 1 1 10 18 15 f 74.574  2.8738  10.5148      1.10637   10.1768      1.10679   43.0051     70.906      0           0           
1 1 1 10 18 16 o 137.998 2.70915 36.968       1.9365    33.7264      1.93261   142.004     175.079     30.1248     175.079     
1 1 1 10 18 17 o 54.094  3.697   6.86416      1.03832   4.34482      0.975718  56.1537     107.711     19.1099     107.711     
1 1 1 10 18 18 o 20.4465 4.36835 0.93088      0.464722  0.638921     0.559929  3.61329     204.673     7.5381      24.6733     
1 1 1 10 18 19 o 45.3911 2.73481 3.80892      0.596342  3.90764      0.676459  32.7955     326.119     12.807      146.119     
1 1 1 10 18 20 o 90.1607 2.63399 14.483       1.28461   15.8189      1.16105   82.6094     53.2992     2.18866     53.2991     
1 1 1 10 18 21 o 106.004 2.41203 21.2225      1.32542   20.5684      1.32167   100.574     4.25015     8.95518     4.25015     
1 1 1 10 18 22 o 53.8527 2.55103 5.49866      0.712652  5.35614      0.703375  47.9979     255.851     1.44135     255.851     
1 1 1 10 18 23 o 39.3869 2.83918 2.7596       0.570743  3.11749      0.570312  31.887      186.53      3.35361     6.53023     
1 1 1 10 18 24 o 78.4032 2.38506 11.1739      0.966209  11.7985      0.967339  82.9571     332.913     25.837      332.913     
1 1 1 10 18 25 o 14.8995 3.66476 0.0874086    0.372644  0.605538     0.370337  2.76541     108.84      25.9206     108.84      
1 1 1 10 18 26 o 59.0652 2.55365 6.23603      0.775264  6.91083      0.779474  55.4538     324.361     6.55368     324.361     
1 1 1 10 18 27 o 39.2214 2.9067  2.70341      0.576127  3.18255      0.58533   37.1343     267.425     7.04797     267.425     
1 1 1 10 18 28 o 35.6287 3.08029 2.65634      0.557975  2.24265      0.552588  19.9873     358.012     21.7699     178.012     
1 1 1 10 18 29 o 47.9795 2.85608 4.55341      0.708074  4.23413      0.698916  44.6491     26.9698     5.82095     26.9698     
1 1 1 10 18 30 o 52.2793 2.90218 5.3903       0.816039  5.08042      0.744144  58.4159     271.815     26.4767     271.815     
1 1 1 10 18 31 o 23.2052 4.67419 1.19957      0.548529  1.05413      0.638068  11.7096     264.906     13.8908     84.9063     
1 1 1 10 18 32 o 20.3019 4.46901 0.434566     0.533882  1.22815      0.566686  14.979      152.712     5.19471     152.712     
1 1 1 10 18 33 o 24.7703 3.94447 0.904796     0.501418  1.65728      0.501858  16.2112     84.9695     7.3259      264.97      
1 1 1 10 18 34 o 10.2576 3.26801 -0.317787    0.375251  -0.0126517   0.369631  0.749896    249.132     9.30473     249.132     
1 1 1 10 18 35 o 20.5829 4.24325 1.09415      0.498392  0.698991     0.475876  11.4668     237.137     8.58625     57.1368     
1 1 1 10 18 36 o 26.4701 4.11921 1.41621      0.549041  1.56455      0.550975  19.4086     353.193     3.72542     173.193     
1 1 1 10 18 37 o 34.8247 3.90062 2.44611      0.704392  2.63131      0.652254  32.8524     330.173     8.45993     330.173     
1 1 1 10 18 38 o 33.6771 4.03136 2.38061      0.663013  2.46766      0.694301  27.1139     342.99      1.26969     162.99      
1 1 1 10 18 39 f 29.7736 4.53391 2.50377      0.655364  1.5499       0.712176  18.7307     299.849     0           0           
1 1 1 10 18 40 o 16.7667 4.36998 0.883402     0.532047  0.225737     0.524934  10.6574     314.727     3.94721     314.727     
1 1 1 10 18 41 o 16.6148 4.37048 0.700573     0.509062  0.476151     0.503513  10.1445     252.192     1.51183     252.192     
1 1 1 10 18 42 o 13.8225 4.06787 0.319217     0.48499   0.241243     0.479774  4.72661     234.321     2.10222     54.3214     
1 1 1 10 18 43 o 11.745  3.6632  0.416133     0.49788   -0.669437    0.451124  1.86007     273.016     2.64115     93.0161     
1 1 1 10 18 44 o 12.7054 3.89752 0.377533     0.497559  -0.148374    0.480731  3.72235     268.247     3.62925     88.2473     
1 1 1 10 18 45 o 29.0788 4.37122 1.47094      0.638773  2.76907      0.655831  25.7436     204.322     7.3299      204.322     
1 1 1 10 18 46 o 12.0143 3.73869 0.480454     0.503761  -0.680313    0.49731   1.44026     257.414     6.8722      77.4141     
1 1 1 10 18 47 o 10.0361 3.40517 -0.374599    0.531793  -0.478289    0.48835   0.887436    333.076     7.70902     333.076     
1 1 1 10 18 48 o 13.2822 4.2415  0.129819     0.640899  0.181664     0.602748  2.95673     238.424     7.70647     58.4235     
1 1 1 10 18 49 o 13.2345 4.18735 0.1124       0.578848  0.310396     0.602485  3.85959     326.824     2.77711     146.824     
1 1 1 10 18 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 19 0  o 11.0428 4.17862 0.323066     0.327187  0.323066     0.327187  26.1927     360         62.054      360         
1 1 1 10 19 1  o 149.732 2.19112 41.666       1.70475   40.9553      1.69648   150.147     241.232     23.2309     241.232     
1 1 1 10 19 2  o 40.6824 2.9567  2.96139      0.619591  3.23056      0.607918  32.6665     145.372     2.72247     145.372     
1 1 1 10 19 3  o 55.4984 3.05365 5.29973      0.858406  6.19501      0.882082  32.4558     61.7171     33.3637     241.717     
1 1 1 10 19 4  o 74.7006 2.85335 9.4          1.0864    11.3531      1.10946   70.9614     278.721     7.77052     278.721     
1 1 1 10 19 5  o 47.6261 3.18252 4.3274       0.772628  4.16079      0.779642  50.7531     39.6963     30.102      39.6963     
1 1 1 10 19 6  f 29.5461 3.99881 1.67605      0.58451   1.69074      0.59576   22.8236     294.586     0           0           
1 1 1 10 19 7  o 15.6818 4.16681 0.200405     0.444511  0.478148     0.483445  1.58467     80.0622     8.42011     80.0622     
1 1 1 10 19 8  o 71.9306 2.86667 10.1407      1.06717   9.10494      1.05982   76.7107     100.995     24.6147     100.995     
1 1 1 10 19 9  o 76.2428 2.86494 10.6686      1.12435   10.9415      1.13198   69.8647     98.2652     1.79026     98.2652     
1 1 1 10 19 10 o 32.1402 4.39983 2.35553      0.705436  1.6812       0.704484  17.7856     136.131     15.3317     316.131     
1 1 1 10 19 11 o 36.1538 3.96246 2.55456      0.658421  2.45629      0.771055  25.2635     106.737     8.20797     286.737     
1 1 1 10 19 12 o 78.2    2.87043 10.9622      1.14874   11.8157      1.16982   76.1581     29.0117     11.3724     29.0117     
1 1 1 10 19 13 o 23.719  4.33173 1.23902      0.526851  0.964542     0.551544  8.10882     105.248     3.53573     285.248     
1 1 1 10 19 14 o 62.1605 3.01931 7.5862       0.959802  6.88183      0.971506  73.4777     49.2561     39.5575     49.2561     
1 1 1 10 19 15 o 22.634  4.39361 1.2378       0.534155  0.761802     0.547297  3.88816     182.191     23.2298     2.1907      
1 1 1 10 19 16 o 41.0787 3.7937  3.21147      0.724201  3.25233      0.847195  31.0732     69.9848     6.93362     249.985     
1 1 1 10 19 17 o 19.6781 4.87104 0.855303     0.617097  0.476915     0.626917  2.47503     359.507     17.2832     179.507     
1 1 1 10 19 18 f 78.7427 3.07065 11.1927      1.18016   12.1141      1.31692   77.5394     295.94      0           0           
1 1 1 10 19 19 o 61.7397 3.31164 6.75118      1.02254   7.70495      1.08079   38.1267     75.854      33.9153     255.854     
1 1 1 10 19 20 o 28.5742 4.41131 2.21306      0.666486  1.10757      0.621199  12.4822     135.93      21.783      315.93      
1 1 1 10 19 21 f 26.5196 4.22505 1.74976      0.510988  1.05652      0.635742  38.1912     264.991     0           0           
1 1 1 10 19 22 o 55.3177 2.4803  6.05953      0.709505  5.43398      0.704148  57.6256     96.9831     18.3914     96.9831     
1 1 1 10 19 23 o 44.0452 2.68414 3.95264      0.610928  3.39839      0.600518  47.8204     158.182     20.525      158.182     
1 1 1 10 19 24 o 63.705  2.48366 6.97718      0.81261   8.31073      0.816578  47.1247     181.721     18.8363     1.72064     
1 1 1 10 19 25 o 46.8297 2.69658 4.14005      0.646666  4.17127      0.65118   45.7542     70.1562     10.1061     70.1562     
1 1 1 10 19 26 o 21.7785 3.49876 0.251343     0.432507  1.66079      0.435983  12.4321     135.588     9.8095      315.588     
1 1 1 10 19 27 o 16.4088 3.37846 -0.15681     0.383947  0.989733     0.382352  6.35432     117.581     10.6706     297.581     
1 1 1 10 19 28 o 42.0159 2.9484  3.58625      0.639602  3.21095      0.626683  48.492      343.889     26.2305     343.889     
1 1 1 10 19 29 o 33.1967 3.75736 2.01512      0.667895  2.40107      0.562273  35.0141     132.77      16.0658     132.77      
1 1 1 10 19 30 o 36.8428 4.03135 2.37254      0.807528  3.14193      0.62566   31.057      304.391     0.0489534   304.388     
1 1 1 10 19 31 o 13.7577 3.673   -0.339066    0.431652  0.59898      0.407311  4.0302      314.627     3.42055     134.627     
1 1 1 10 19 32 o 32.9802 3.79235 2.31819      0.570573  2.10414      0.670106  24.9724     77.569      4.86535     257.569     
1 1 1 10 19 33 o 30.4915 4.10768 1.61258      0.627214  2.28364      0.618601  32.3732     175.223     17.4307     175.223     
1 1 1 10 19 34 f 59.417  2.84267 7.21191      0.905466  6.54951      0.835709  39.2799     117.178     0           0           
1 1 1 10 19 35 o 15.7928 4.18932 0.571741     0.476624  0.320739     0.45961   8.59734     29.9839     2.16338     209.984     
1 1 1 10 19 36 o 38.8047 3.65493 3.92529      0.674015  2.37465      0.701628  35.4778     300.863     6.56005     300.863     
1 1 1 10 19 37 o 35.1139 3.91466 2.13684      0.684278  3.15523      0.666616  35.6125     296.329     14.1469     296.329     
1 1 1 10 19 38 o 48.8243 3.24412 4.47007      0.823755  5.3277       0.786706  43.23       248.424     4.86844     248.424     
1 1 1 10 19 39 o 21.932  4.37392 0.283503     0.57195   1.94736      0.640052  17.5927     58.4673     2.75298     58.4673     
1 1 1 10 19 40 o 28.0044 4.63651 1.89628      0.643087  1.85238      0.679563  20.8653     291.227     2.24557     111.227     
1 1 1 10 19 41 o 25.1965 4.40402 1.07607      0.583375  2.00472      0.597101  19.9683     280.64      1.86512     280.64      
1 1 1 10 19 42 o 18.0607 4.26691 0.0505073    0.553128  1.34145      0.554781  12.0975     317.283     1.70265     317.283     
1 1 1 10 19 43 o 19.2345 4.38389 1.40068      0.552641  0.400115     0.549824  11.6254     327.763     4.11574     147.763     
1 1 1 10 19 44 o 13.885  4.17593 0.402541     0.541547  0.220173     0.51149   4.466       171.062     3.59073     351.062     
1 1 1 10 19 45 o 14.2035 4.22268 0.649527     0.557168  -0.00371309  0.539712  3.43282     212.729     8.60478     32.7292     
1 1 1 10 19 46 o 12.673  3.9315  0.469152     0.524473  -0.331049    0.524226  2.1749      250.629     4.43323     70.6286     
1 1 1 10 19 47 f 10.9389 3.68152 -0.363714    0.533842  -0.240288    0.60611   8.63811     260.507     0           0           
1 1 1 10 19 48 o 18.7654 4.92057 1.73599      0.75273   0.367412     0.614076  11.2368     40.4744     2.22705     220.474     
1 1 1 10 19 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 20 0  o 70.0658 2.30598 9.09196      0.833369  9.09196      0.833369  58.7238     360         12.2284     180         
1 1 1 10 20 1  o 47.4477 3.13579 4.3243       0.864796  4.12337      0.646473  47.3704     97.6762     15.1528     97.6762     
1 1 1 10 20 2  o 56.706  3.71173 5.84952      1.22449   6.28678      0.883066  48.2749     93.8713     3.32846     273.871     
1 1 1 10 20 3  o 47.4648 3.15056 4.27592      0.767816  4.18144      0.764326  39.016      198.983     3.69041     18.9825     
1 1 1 10 20 4  o 60.2256 2.96555 7.82702      0.919614  5.79304      0.905341  61.3581     86.9118     17.1214     86.9118     
1 1 1 10 20 5  o 37.3722 3.56734 2.59149      0.665492  2.72317      0.681359  1.89125     80.2628     61.1889     260.263     
1 1 1 10 20 6  o 74.637  2.88285 11.2556      1.1095    9.54167      1.10681   72.5221     167.177     11.2771     167.177     
1 1 1 10 20 7  o 69.511  2.90813 8.07552      1.02555   10.0045      1.05411   75.6285     108.387     28.2359     108.387     
1 1 1 10 20 8  o 101.903 2.73441 19.0897      1.43111   19.5356      1.45244   95.1259     220.639     5.11399     220.639     
1 1 1 10 20 9  f 37.8793 3.54285 2.28315      0.653174  3.22394      0.692165  23.1012     133.531     0           0           
1 1 1 10 20 10 o 102.314 3.11818 21.235       1.65927   17.9848      1.63351   100.537     347.39      15.7461     347.39      
1 1 1 10 20 11 o 52.7226 3.28071 5.39066      0.823116  5.09496      0.942256  45.208      28.5384     1.25378     208.538     
1 1 1 10 20 12 o 91.4146 2.7928  14.4338      1.30748   16.8001      1.32858   98.3034     353.836     32.3624     353.836     
1 1 1 10 20 13 o 40.7371 3.49452 3.09858      0.720489  3.23279      0.724985  25.817      0.604538    17.9337     180.605     
1 1 1 10 20 14 o 38.2959 3.79805 3.83168      0.706659  1.96723      0.695949  35.2149     247.436     8.4812      247.436     
1 1 1 10 20 15 o 42.0235 3.46162 3.0608       0.726424  3.70331      0.749245  46.6617     281.105     26.7818     281.105     
1 1 1 10 20 16 o 14.7066 3.89546 -0.857115    0.404195  0.901791     0.591884  0.694656    98.4734     12.472      98.4734     
1 1 1 10 20 17 o 33.6821 5.09284 1.87338      0.83687   2.76939      0.893514  20.901      284.443     14.4172     104.443     
1 1 1 10 20 18 o 74.5201 3.23852 10.4091      1.22739   10.6737      1.26252   71.8715     198.83      11.0405     198.83      
1 1 1 10 20 19 o 102.285 2.93568 21.6374      1.62589   17.9459      1.48062   106.931     309.806     30.6821     309.806     
1 1 1 10 20 20 o 14.6785 4.22023 0.223562     0.499853  0.192527     0.506865  2.32463     66.8627     5.88672     246.863     
1 1 1 10 20 21 o 30.8463 4.16319 2.02494      0.641119  1.78976      0.6411    31.9993     165.091     16.8027     165.091     
1 1 1 10 20 22 o 45.1187 3.49879 4.31599      0.791811  3.5841       0.808546  38.9769     225.629     0.390275    45.6285     
1 1 1 10 20 23 o 38.5403 3.93259 3.89718      0.658505  2.08522      0.765016  37.2937     251.316     9.03275     251.316     
1 1 1 10 20 24 o 53.7782 2.84212 6.53148      0.740095  4.55734      0.79747   46.4979     235.316     1.03477     55.3153     
1 1 1 10 20 25 o 26.2418 3.54942 1.63547      0.473424  1.12513      0.455287  20.1415     307.773     2.23567     127.773     
1 1 1 10 20 26 o 9.4812  2.97584 -0.224006    0.312374  0.00941806   0.283015  4.11606     132.181     17.6971     132.181     
1 1 1 10 20 27 o 44.4543 2.89254 3.42207      0.656188  4.21047      0.655031  43.4927     215.096     11.1124     215.096     
1 1 1 10 20 28 o 38.5595 3.03481 2.93784      0.606263  2.84638      0.58641   31.3565     98.3574     2.64906     278.357     
1 1 1 10 20 29 o 41.2246 3.04224 3.31745      0.656998  3.3065       0.623522  36.3938     217.034     3.01848     217.034     
1 1 1 10 20 30 o 16.7454 3.65793 -0.387075    0.464305  1.10626      0.455515  8.92648     207.423     3.64057     27.4235     
1 1 1 10 20 31 o 64.9676 2.79484 7.58251      0.873019  8.75597      1.0016    65.6786     258.45      20.1041     258.45      
1 1 1 10 20 32 o 13.1527 3.74693 -0.0319693   0.420278  0.371913     0.396164  3.83644     218.608     6.35639     38.6083     
1 1 1 10 20 33 o 44.8316 2.99515 3.92984      0.687186  4.01147      0.688327  41.422      220.547     7.53206     220.547     
1 1 1 10 20 34 o 46.9916 3.71352 3.53446      0.870148  5.67294      0.841277  46.8165     316.308     15.0691     316.308     
1 1 1 10 20 35 o 12.0057 3.63718 -0.669534    0.516958  0.336431     0.412027  3.50864     317.31      4.25353     137.31      
1 1 1 10 20 36 o 29.0692 4.27326 1.74798      0.633919  2.02877      0.611635  18.4672     346.895     10.3309     166.895     
1 1 1 10 20 37 o 27.1681 4.23659 1.64093      0.59455   1.68884      0.566649  22.1546     184.783     1.46109     184.783     
1 1 1 10 20 38 o 31.9875 4.07858 2.12699      0.62611   2.45671      0.677109  28.6253     72.2776     6.44486     72.2776     
1 1 1 10 20 39 o 20.4404 4.57635 0.677412     0.570269  1.34682      0.566916  15.3225     253.552     3.37714     253.552     
1 1 1 10 20 40 o 36.3304 4.41907 3.66217      0.840346  2.61847      0.7603    32.9852     97.4059     8.28963     97.4059     
1 1 1 10 20 41 o 14.6515 4.38526 0.0733222    0.554437  0.60631      0.61343   6.28681     266.64      1.15967     86.6398     
1 1 1 10 20 42 o 14.3452 4.07422 -0.26074     0.517983  0.803066     0.523328  5.29019     203.683     5.99014     23.6831     
1 1 1 10 20 43 o 10.5823 3.50717 -0.521948    0.486112  -0.0245433   0.495188  0.15161     91.1629     2.06123     271.163     
1 1 1 10 20 44 o 12.7434 3.96096 0.315801     0.513632  -0.0298865   0.508869  1.76685     173.509     3.44166     353.509     
1 1 1 10 20 45 o 11.5896 3.75494 0.0316039    0.518079  -0.120176    0.501583  1.03218     256.166     3.4683      76.1656     
1 1 1 10 20 46 o 9.80163 3.36887 -0.351505    0.584982  -0.664445    0.471815  0.00172269  258.482     3.81897     78.4812     
1 1 1 10 20 47 o 23.9475 5.42936 1.76419      0.780479  1.87897      0.749648  19.0192     73.1508     4.68442     73.1508     
1 1 1 10 21 0  o 54.63   2.52449 5.57464      0.707784  5.57464      0.707784  55.7693     180         11.503      180         
1 1 1 10 21 1  o 38.0842 3.41163 2.43509      0.651017  3.10909      0.656823  34.0788     99.0813     7.66004     99.0813     
1 1 1 10 21 2  o 60.8402 2.96126 6.89862      0.919479  6.97865      0.93691   53.412      249.437     0.381393    69.4374     
1 1 1 10 21 3  o 24.6966 4.22931 1.48094      0.53083   0.929648     0.554632  11.9171     196.167     2.76572     16.1666     
1 1 1 10 21 4  f 13.4196 3.61164 -0.355349    0.371661  0.562505     0.427295  21.2699     255.758     0           0           
1 1 1 10 21 5  o 24.3198 4.59576 0.903491     0.515175  1.47148      0.673434  11.6501     96.2471     4.07028     276.247     
1 1 1 10 21 6  o 16.048  4.59002 0.188592     0.44157   0.359978     0.731508  0.0657226   297.749     4.41595     297.749     
1 1 1 10 21 7  o 53.1594 3.31821 5.34753      0.839786  5.34679      0.964779  46.6866     153.153     0.839929    153.153     
1 1 1 10 21 8  o 38.0684 3.9379  1.80326      0.662153  4.0171       0.80732   22.2658     93.1397     20.015      273.14      
1 1 1 10 21 9  o 45.1741 3.29862 3.36544      0.745448  4.42462      0.766888  41.3204     28.8448     5.80064     28.8448     
1 1 1 10 21 10 o 24.6726 4.9068  1.18355      0.6382    1.25825      0.669252  13.7988     235.459     2.09754     235.459     
1 1 1 10 21 11 o 53.3755 4.23633 4.41937      1.17389   6.7451       1.033     39.0857     115.146     15.5576     295.146     
1 1 1 10 21 12 o 57.3319 3.79449 5.98162      1.25021   6.6503       0.921759  50.6071     228.206     0.470845    228.206     
1 1 1 10 21 13 o 31.4505 4.32591 2.236        0.740959  1.71787      0.621087  29.2881     75.2861     10.901      75.2861     
1 1 1 10 21 14 o 42.8496 3.45775 3.77731      0.756989  3.28977      0.748607  35.9791     352.21      1.75715     172.21      
1 1 1 10 21 15 o 76.0401 3.13302 10.549       1.17335   11.4024      1.28611   70.0959     206.144     4.97264     206.144     
1 1 1 10 21 16 o 17.326  4.46459 0.838701     0.528974  -0.163959    0.651023  0.131504    154.528     25.1761     334.528     
1 1 1 10 21 17 o 47.0012 4.11962 5.58241      1.04072   3.26275      0.895786  44.2434     62.2328     7.27184     62.2329     
1 1 1 10 21 18 o 49.641  3.38821 5.5174       0.854337  4.02826      0.848315  47.426      72.3878     8.57444     72.3878     
1 1 1 10 21 19 o 78.8584 2.96053 13.1464      1.21427   10.5303      1.18809   66.3886     208.344     6.98713     28.3436     
1 1 1 10 21 20 o 22.1474 4.54626 0.539178     0.562364  1.43669      0.603403  11.8554     213.083     11.3862     33.0833     
1 1 1 10 21 21 o 28.2036 4.46089 1.13798      0.63086   2.1663       0.66009   25.2548     223.673     5.34752     223.673     
1 1 1 10 21 22 o 15.7647 3.97951 -0.499746    0.485274  0.91749      0.524133  4.02725     34.9094     14.2782     214.909     
1 1 1 10 21 23 o 15.6144 4.44    0.233173     0.532724  0.357009     0.568321  6.15676     103.985     6.60522     283.985     
1 1 1 10 21 24 o 63.9405 3.22546 6.68248      1.03068   9.2556       1.0764    61.8486     118.942     12.6596     118.942     
1 1 1 10 21 25 o 24.2036 4.8777  0.825522     0.634782  1.6801       0.690157  15.6239     257.578     6.94271     77.5782     
1 1 1 10 21 26 o 42.3886 3.40033 4.59787      0.667849  2.60033      0.719302  32.4332     238.844     7.29436     58.8442     
1 1 1 10 21 27 o 20.9129 3.72946 0.519129     0.434354  1.27911      0.41847   14.6478     336.043     1.584       156.043     
1 1 1 10 21 28 o 67.709  2.66263 9.0185       0.963043  8.58568      0.898615  66.7495     301.523     17.2808     301.523     
1 1 1 10 21 29 o 29.6644 3.86373 1.70226      0.605738  1.92397      0.532965  32.2296     257.503     19.8641     257.503     
1 1 1 10 21 30 o 40.1695 3.30641 3.28105      0.677981  3.17014      0.673133  35.9685     9.40756     4.88792     9.40756     
1 1 1 10 21 31 o 19.0448 4.15621 0.869007     0.456398  0.673322     0.450698  14.4464     13.179      4.28798     13.179      
1 1 1 10 21 32 o 15.9569 4.06386 0.263762     0.449689  0.681646     0.439821  9.45752     73.6882     0.179124    253.688     
1 1 1 10 21 33 o 23.2941 4.19762 1.4837       0.529577  0.930514     0.501686  21.0288     341.805     7.33957     341.805     
1 1 1 10 21 34 o 34.2398 3.80472 2.01494      0.659589  3.02336      0.609283  31.1527     281.311     6.58858     281.311     
1 1 1 10 21 35 o 38.0195 4.04385 3.18645      0.723688  3.13301      0.814485  37.8202     227.974     13.9921     227.974     
1 1 1 10 21 36 o 20.8008 5.25347 0.732442     0.850374  1.34877      0.674845  12.1192     315.363     6.57627     135.363     
1 1 1 10 21 37 o 16.551  4.32585 0.247007     0.504083  0.897681     0.528636  7.60712     267.343     6.95139     87.3428     
1 1 1 10 21 38 o 42.5409 3.64581 4.10996      0.790972  3.80573      0.783107  36.7015     274.641     4.60481     274.641     
1 1 1 10 21 39 o 27.8945 4.65669 1.82024      0.664599  2.04258      0.661757  24.2802     41.5107     6.30374     41.5107     
1 1 1 10 21 40 f 18.5878 4.69697 1.02774      0.578908  0.747974     0.575431  20.4266     350.367     0           0           
1 1 1 10 21 41 o 10.7241 3.55729 -0.124169    0.535762  -0.336146    0.456463  0.158572    66.0526     7.55585     246.053     
1 1 1 10 21 42 o 20.3236 4.85058 0.904731     0.596864  1.37824      0.63216   13.1343     167.156     4.27565     167.156     
1 1 1 10 21 43 o 13.9137 4.15541 0.0314642    0.540217  0.561465     0.525005  3.79903     233.349     4.30652     53.3488     
1 1 1 10 21 44 o 15.8018 4.14089 -0.371288    0.557284  1.20361      0.557648  1.8571      204.354     0.531359    204.354     
1 1 1 10 21 45 o 12.7453 4.02022 -0.0214598   0.549264  0.314301     0.541412  1.81673     186.835     0.819568    6.83452     
1 1 1 10 21 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 22 0  o 63.4933 4.18164 7.75188      1.34728   7.75188      1.34728   70.9467     180         26.9029     180         
1 1 1 10 22 1  o 50.1195 3.33467 4.78008      0.909867  4.78867      0.79755   28.7883     353.54      30.4899     173.54      
1 1 1 10 22 2  o 113.844 2.69277 25.2738      1.58781   23.2719      1.58386   112.265     120.458     20.0701     120.458     
1 1 1 10 22 3  o 34.6806 3.70829 1.90294      0.631845  2.80778      0.642056  25.4953     70.2        6.71074     250.2       
1 1 1 10 22 4  o 60.6887 2.9535  7.64978      0.925604  6.28129      0.914831  49.0452     97.268      9.11715     277.268     
1 1 1 10 22 5  f 34.5011 3.65555 2.36949      0.634285  2.25141      0.632691  28.9726     259.105     0           0           
1 1 1 10 22 6  o 52.1855 3.16429 5.18373      0.840837  5.16494      0.854482  35.4097     198.797     20.935      18.7973     
1 1 1 10 22 7  o 65.2305 2.96282 7.75201      0.990478  8.32975      1.00188   77.0424     320.398     40.0684     320.398     
1 1 1 10 22 8  o 24.695  4.40509 1.54465      0.5734    0.920434     0.573971  17.7696     226.32      0.32154     226.32      
1 1 1 10 22 9  o 38.9369 3.55181 2.52119      0.683906  3.37551      0.705122  26.5169     254.494     13.7854     74.494      
1 1 1 10 22 10 o 43.3391 3.6658  3.68135      0.855619  3.60067      0.75567   49.2433     108.723     26.2231     108.723     
1 1 1 10 22 11 o 21.2947 4.58192 1.21691      0.537426  0.494743     0.638695  13.1068     125.7       2.52966     125.7       
1 1 1 10 22 12 o 21.3515 4.59255 0.916135     0.530787  0.907996     0.57702   12.2571     351.043     6.3858      171.043     
1 1 1 10 22 13 o 17.6335 4.34575 0.853692     0.510442  0.153354     0.534528  8.13843     112.98      2.47122     292.98      
1 1 1 10 22 14 o 41.4137 3.85099 3.66275      0.788515  3.07218      0.814767  36.0843     253.056     1.11065     253.057     
1 1 1 10 22 15 o 51.7598 3.89066 4.91813      0.92977   5.56919      1.12482   58.5657     149.421     27.9213     149.421     
1 1 1 10 22 16 f 39.681  3.99147 2.73153      0.737021  3.52115      0.859935  25.0478     171.061     0           0           
1 1 1 10 22 17 o 76.9623 3.40559 12.1551      1.35109   10.6712      1.34776   63.7304     347.173     8.07275     167.173     
1 1 1 10 22 18 o 52.0923 3.83755 6.5106       0.922882  4.24649      1.03537   50.7356     86.1811     11.4153     86.1811     
1 1 1 10 22 19 o 24.2373 4.96049 1.00097      0.602182  1.48011      0.721251  14.7723     251.209     9.04835     71.2093     
1 1 1 10 22 20 f 64.4857 3.38386 7.86893      1.04289   8.28285      1.20019   55.4525     11.7508     0           0           
1 1 1 10 22 21 o 19.9727 4.6254  0.130153     0.552321  1.38684      0.669125  14.1433     196.778     3.46329     196.778     
1 1 1 10 22 22 o 24.2778 4.95549 0.923249     0.598234  1.62505      0.734208  16.5686     113.472     4.82129     293.472     
1 1 1 10 22 23 o 19.5069 4.77811 1.14123      0.618972  0.202513     0.66376   4.21676     158.495     22.0068     338.495     
1 1 1 10 22 24 o 31.4183 4.69195 2.70575      0.758856  1.54643      0.730953  26.6329     228.86      2.2638      228.86      
1 1 1 10 22 25 o 17.1657 4.83337 0.649254     0.684855  0.219399     0.618476  8.0482      64.2881     6.63107     244.288     
1 1 1 10 22 26 o 47.5532 4.03754 4.57826      1.03276   4.66516      0.909009  48.0685     5.76818     16.3202     5.76818     
1 1 1 10 22 27 o 18.8689 4.93857 0.0224574    0.814757  1.04043      0.621413  12.4193     92.3135     0.0863837   92.3135     
1 1 1 10 22 28 o 49.0042 4.17556 6.74501      0.937078  3.46655      0.991268  41.5643     185.327     0.62791     185.327     
1 1 1 10 22 29 o 9.5362  3.08104 -0.099096    0.389878  -0.188689    0.276996  0.152163    106.685     6.92818     106.685     
1 1 1 10 22 30 o 39.2005 3.59758 3.53914      0.748507  2.8204       0.677849  40.849      260.083     17.4929     260.083     
1 1 1 10 22 31 o 21.1969 4.44675 1.30583      0.595045  0.750089     0.461497  15.019      244.273     1.97987     64.273      
1 1 1 10 22 32 o 23.3003 4.43052 1.05891      0.582945  1.42415      0.527105  17.1921     237.499     1.6947      57.4987     
1 1 1 10 22 33 o 22.6728 4.39846 0.977062     0.569594  1.39165      0.517205  17.4767     260.601     0.725943    260.601     
1 1 1 10 22 34 o 35.5369 3.91034 2.88694      0.733116  2.6514       0.660568  27.2402     30.7635     3.01688     210.764     
1 1 1 10 22 35 o 8.39295 2.89636 -0.65573     0.456222  -0.537061    0.358421  1.89923     88.6078     8.87531     88.6078     
1 1 1 10 22 36 o 16.6706 4.40766 0.905301     0.564829  0.334242     0.48477   8.39472     290.027     2.18992     290.027     
1 1 1 10 22 37 o 15.6799 4.62143 0.0238024    0.68108   0.766216     0.632069  2.58675     337.246     0.798928    337.246     
1 1 1 10 22 38 o 18.7928 4.86971 0.322032     0.79909   1.29693      0.616164  11.7992     68.5473     1.60586     248.547     
1 1 1 10 22 39 o 17.9142 4.7337  0.742607     0.638244  0.904749     0.55889   9.6287      86.0475     2.95235     86.0475     
1 1 1 10 22 40 o 22.9292 4.72632 1.9625       0.664772  0.892216     0.588646  17.7463     109.314     5.48226     109.314     
1 1 1 10 22 41 o 11.6123 3.76879 -0.183964    0.553059  0.0160488    0.48715   0.287378    34.5376     9.31822     214.538     
1 1 1 10 22 42 o 12.2768 3.9264  0.599072     0.631193  -0.689624    0.469568  1.98079     149.1       5.50477     329.1       
1 1 1 10 22 43 o 32.9893 4.89536 3.45112      0.821149  2.49794      0.803737  30.0039     31.5351     10.7419     31.5351     
1 1 1 10 22 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 23 0  o 115.413 3.73096 25.1676      2.22141   25.1676      2.22141   110.347     7.04091e-06 14.0877     7.04091e-06 
1 1 1 10 23 1  o 91.753  3.58097 15.7946      1.84391   16.5629      1.52022   86.2657     130.117     9.76159     130.117     
1 1 1 10 23 2  o 51.7982 3.10827 4.68867      0.816283  5.56988      0.833156  38.9162     91.7988     12.7399     271.799     
1 1 1 10 23 3  o 10.3339 3.25839 0.0061357    0.342754  -0.326163    0.38374   9.12094     18.8979     30.6103     18.8979     
1 1 1 10 23 4  o 50.2091 3.21138 4.68357      0.824013  4.97267      0.829019  48.0914     347.158     9.1656      347.158     
1 1 1 10 23 5  o 22.0846 4.40282 0.835653     0.520595  1.13659      0.537262  13.2097     245.078     6.94578     65.0785     
1 1 1 10 23 6  o 32.2597 3.94091 2.34198      0.632275  1.79909      0.632169  28.8402     287.659     4.598       287.659     
1 1 1 10 23 7  o 33.2495 3.92022 2.26874      0.639577  2.10767      0.66256   28.879      44.6285     2.40976     44.6285     
1 1 1 10 23 8  o 40.5192 3.57306 2.81761      0.718945  3.58899      0.741667  31.4562     130.111     6.77035     310.111     
1 1 1 10 23 9  o 34.0336 3.97995 1.61085      0.647515  3.08848      0.674576  25.3103     80.2851     7.005       260.285     
1 1 1 10 23 10 o 19.0226 4.13322 -0.200122    0.578355  1.27148      0.528626  7.96891     291.968     3.70356     291.968     
1 1 1 10 23 11 o 29.1398 4.95621 1.91018      0.63919   1.60145      0.85181   22.0575     95.6017     3.64322     275.602     
1 1 1 10 23 12 o 71.5571 3.24395 9.50247      1.17723   10.1371      1.2166    75.5841     194.002     26.0381     194.002     
1 1 1 10 23 13 o 22.218  4.74561 0.99314      0.579906  1.02867      0.605034  16.6339     270.913     0.613744    270.913     
1 1 1 10 23 14 o 37.4533 3.95437 2.55722      0.758514  3.03761      0.719946  24.0279     306.354     15.8533     126.354     
1 1 1 10 23 15 o 25.1382 4.06115 0.202392     0.580915  2.4197       0.633926  23.8909     174.423     12.0856     174.423     
1 1 1 10 23 16 o 28.2036 4.83727 0.801835     0.73355   2.61525      0.774163  22.8158     100.843     0.382816    100.843     
1 1 1 10 23 17 o 16.2134 4.50269 0.704855     0.630926  -0.0147291   0.51419   6.02766     193.992     9.60866     13.9922     
1 1 1 10 23 18 o 46.6293 3.49939 3.90871      0.818112  4.66124      0.843794  39.5993     350.023     0.399242    170.023     
1 1 1 10 23 19 o 48.0099 3.45722 4.52849      0.843056  4.53901      0.853675  44.2691     284.768     6.84374     284.768     
1 1 1 10 23 20 o 22.9811 4.67586 1.2755       0.585906  0.963638     0.597193  16.2867     272.153     2.28552     92.1529     
1 1 1 10 23 21 o 15.2749 4.37586 0.35154      0.52425   0.21177      0.557629  5.84883     299.934     6.10491     119.934     
1 1 1 10 23 22 o 31.0415 4.62684 2.65026      0.735281  1.51008      0.715702  26.3671     245.17      2.7309      245.17      
1 1 1 10 23 23 o 17.8145 4.77972 0.457927     0.594533  0.674256     0.62478   10.2832     9.66575     1.60739     9.66575     
1 1 1 10 23 24 o 38.802  4.11055 3.39409      0.793513  2.85764      0.80219   32.6883     137.317     0.951797    137.317     
1 1 1 10 23 25 o 16.7175 4.69038 0.435895     0.598133  0.46475      0.613297  9.23797     291.818     0.958389    291.818     
1 1 1 10 23 26 o 10.8158 3.61702 -0.609949    0.558164  -0.380634    0.518571  4.97899     17.9161     24.5926     17.9161     
1 1 1 10 23 27 o 33.8591 4.92825 3.02636      0.857821  2.17428      0.816771  32.096      267.415     9.69248     267.415     
1 1 1 10 23 28 o 29.6477 5.16909 1.85259      0.792051  2.28136      0.792305  23.7888     321.45      0.251979    321.45      
1 1 1 10 23 29 o 22.1044 5.81238 1.22435      0.80314   1.19618      0.990267  14.8287     237.72      3.57541     57.7201     
1 1 1 10 23 30 o 27.1418 5.00321 2.28503      0.611647  1.18429      0.988079  18.3259     261.893     6.44654     81.893      
1 1 1 10 23 31 o 16.5244 3.97498 0.355614     0.45014   0.769881     0.403756  9.05102     312.992     4.49427     132.992     
1 1 1 10 23 32 o 31.2675 3.7636  2.24473      0.603355  2.01716      0.57305   30.6025     195.3       12.5741     195.3       
1 1 1 10 23 33 o 43.2393 3.20057 3.90947      0.717224  3.9042       0.695985  43.6483     256.981     17.7892     256.981     
1 1 1 10 23 34 o 27.4488 4.39397 1.47193      0.607633  2.13417      0.62209   24.1136     9.49728     6.88637     9.49728     
1 1 1 10 23 35 o 14.1351 4.1803  0.400401     0.528705  0.236452     0.498104  5.00003     155.665     0.857282    335.665     
1 1 1 10 23 36 f 23.2199 4.57174 0.912146     0.589553  1.84934      0.610233  11.3208     263.557     0           0           
1 1 1 10 23 37 o 11.2508 3.68781 -0.0535476   0.539245  -0.250886    0.482026  1.02008     96.878      5.17313     276.878     
1 1 1 10 23 38 o 16.8207 4.75033 0.699391     0.599425  0.701586     0.65251   7.77591     135.947     1.21257     315.947     
1 1 1 10 23 39 o 12.302  3.99752 -0.431758    0.611851  0.202197     0.585643  0.821055    129.575     9.86311     309.575     
1 1 1 10 23 40 o 26.2014 4.56407 1.40741      0.641624  2.19242      0.619367  23.3954     180.591     11.0524     180.591     
1 1 1 10 23 41 o 15.0972 4.36427 0.798167     0.571291  0.205109     0.546645  2.57618     159.81      0.417733    159.81      
1 1 1 10 23 42 o 17.9199 4.47222 0.238069     0.596056  1.38078      0.582927  11.3543     143.601     3.5952      143.601     
1 1 1 10 23 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 24 0  o 61.0443 4.45622 7.30822      1.37265   7.30822      1.37265   69.1274     180         30.2944     180         
1 1 1 10 24 1  f 50.4109 4.86886 4.34974      1.19825   6.05698      1.25616   39.6963     21.8653     0           0           
1 1 1 10 24 2  o 86.9307 3.03884 13.949       1.43911   14.8713      1.27842   85.0077     194.887     17.5812     194.887     
1 1 1 10 24 3  o 71.1033 2.9593  10.696       1.07653   8.62152      1.08362   68.7029     64.715      13.2655     64.715      
1 1 1 10 24 4  o 85.6058 2.92683 14.4292      1.28744   13.4672      1.30056   76.794      112.411     3.5026      112.411     
1 1 1 10 24 5  f 34.6237 3.76268 2.10401      0.642289  2.65606      0.659887  27.9177     25.6347     0           0           
1 1 1 10 24 6  o 57.6666 3.13491 7.04681      0.929461  5.75635      0.92257   48.0351     191.797     4.03411     11.7971     
1 1 1 10 24 7  o 17.6258 4.41264 0.779491     0.51771   0.304019     0.52295   3.95157     176.31      18.7161     356.31      
1 1 1 10 24 8  o 16.4193 4.14179 -0.143054    0.48687   0.87919      0.520365  7.94659     53.6302     3.4596      233.63      
1 1 1 10 24 9  o 62.1609 3.31031 7.10647      0.996986  7.85573      1.12104   59.3153     322.822     11.0446     322.822     
1 1 1 10 24 10 o 19.1451 4.68947 0.172395     0.653826  1.05858      0.584592  11.6645     120.963     3.66212     120.963     
1 1 1 10 24 11 o 33.3407 5.15072 1.84136      0.838416  2.94566      0.903485  25.8368     70.1777     3.46201     250.178     
1 1 1 10 24 12 o 27.646  4.56544 1.8371       0.664435  1.37563      0.624633  26.4579     242.474     10.7309     242.474     
1 1 1 10 24 13 o 45.2464 3.49827 3.9392       0.80444   4.11781      0.809527  41.843      84.3614     6.98027     84.3614     
1 1 1 10 24 14 o 49.1066 3.43934 4.4248       0.853185  5.05377      0.872472  52.7824     243.542     22.6099     243.542     
1 1 1 10 24 15 o 61.1087 3.24211 7.95018      1.01078   6.61787      1.01928   65.644      41.0442     26.9101     41.0442     
1 1 1 10 24 16 o 32.0252 4.72014 3.64275      0.82471   0.934093     0.779239  23.3925     97.6185     5.75645     277.619     
1 1 1 10 24 17 o 63.0282 3.54833 6.66479      1.17408   9.12751      1.07489   52.9264     351.061     2.03246     171.061     
1 1 1 10 24 18 o 22.5706 4.73633 1.16404      0.589914  1.01898      0.600806  17.6493     262.834     2.89502     262.834     
1 1 1 10 24 19 o 14.462  4.26717 0.191013     0.514531  0.18767      0.550359  4.86685     229.026     6.40387     49.0261     
1 1 1 10 24 20 o 15.9233 4.49847 0.582413     0.594138  0.102009     0.549747  7.3866      116.703     0.558654    296.703     
1 1 1 10 24 21 o 38.2078 4.46481 3.22473      0.896408  2.97559      0.810386  35.9185     288.171     9.13429     288.171     
1 1 1 10 24 22 o 16.8698 4.71719 0.69592      0.620074  0.164643     0.6367    5.81113     86.7145     12.7964     266.715     
1 1 1 10 24 23 o 16.5641 4.66585 0.275716     0.589375  0.600178     0.623125  0.0500832   115.607     25.3884     115.607     
1 1 1 10 24 24 o 33.3667 4.83803 1.83284      0.772998  3.24268      0.852682  24.4918     186.057     5.43363     6.05673     
1 1 1 10 24 25 o 36.1297 4.60755 2.47888      0.833216  3.32549      0.818358  35.7495     337.793     13.1863     337.793     
1 1 1 10 24 26 o 21.2813 4.23694 -0.467853    0.634869  2.11587      0.693777  18.5631     22.7982     11.3708     22.7982     
1 1 1 10 24 27 o 31.7468 4.96581 3.20332      0.831682  1.64725      0.791331  26.7816     51.3557     2.76764     51.3557     
1 1 1 10 24 28 o 18.9692 5.16961 0.687842     0.774789  0.908346     0.678924  12.2952     210.032     6.18739     210.032     
1 1 1 10 24 29 o 21.2672 5.64652 1.36435      0.869856  0.982985     0.823328  15.3125     119.688     0.79822     119.688     
1 1 1 10 24 30 o 18.779  4.86891 0.390107     0.635592  1.23223      0.66952   11.5959     238.815     2.00422     58.8152     
1 1 1 10 24 31 o 10.6107 3.5971  -0.499555    0.570452  -0.563923    0.566239  0.594076    263.715     5.32638     83.7153     
1 1 1 10 24 32 o 14.7544 4.35439 -0.626334    0.630593  0.864583     0.635765  6.26999     266.346     2.18599     86.346      
1 1 1 10 24 33 o 19.5689 4.27226 0.412396     0.498509  1.43658      0.547027  13.5511     186.234     0.414752    186.234     
1 1 1 10 24 34 o 17.2125 4.03212 1.36128      0.54986   -0.11837     0.465833  10.2257     34.1898     2.87665     34.1898     
1 1 1 10 24 35 f 38.2111 4.20238 2.40352      0.787513  4.55643      0.716569  18.0859     65.833      0           0           
1 1 1 10 24 36 o 19.3412 4.77769 0.810565     0.58254   1.19999      0.609422  11.7147     156.406     2.52043     156.406     
1 1 1 10 24 37 o 13.0772 4.09158 0.347607     0.585025  -0.036227    0.512598  1.74919     234.177     2.23758     54.1771     
1 1 1 10 24 38 o 23.0052 4.80327 1.67165      0.644499  1.23185      0.586743  18.3122     354.7       9.03909     354.7       
1 1 1 10 24 39 o 12.7619 3.99544 -0.0809286   0.565884  0.343037     0.508246  2.10429     301.846     1.57468     121.846     
1 1 1 10 24 40 o 15.4735 4.60071 0.309654     0.617902  0.790341     0.65078   3.24059     16.1518     14.2409     196.152     
1 1 1 10 24 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 25 0  o 11.5815 5.34606 0.012068     0.785418  0.012068     0.785418  4.09377     180         25.4583     180         
1 1 1 10 25 1  o 26.3372 5.98594 1.25173      0.932886  1.81064      0.941855  20.3877     157.149     0.180941    157.149     
1 1 1 10 25 2  o 20.7324 5.59804 1.13238      0.871522  0.33809      0.852644  12.8603     348.298     5.54274     348.298     
1 1 1 10 25 3  o 40.7063 3.90073 3.01892      0.839302  3.62657      0.73951   43.0522     192.757     18.6638     192.757     
1 1 1 10 25 4  o 16.7956 4.35312 0.520681     0.4836    0.472025     0.508657  4.77699     74.9136     14.6219     254.914     
1 1 1 10 25 5  o 40.1558 3.72124 3.88519      0.743968  2.59167      0.737501  26.6925     34.9593     14.5534     214.959     
1 1 1 10 25 6  o 20.1954 4.63008 0.554226     0.531505  1.10574      0.599268  11.8193     52.2489     5.91995     232.249     
1 1 1 10 25 7  o 22.7407 4.46696 1.64307      0.578668  0.431039     0.638983  12.4029     324.789     10.7245     144.789     
1 1 1 10 25 8  o 14.5388 4.2717  0.190317     0.506518  0.183149     0.554141  4.32558     245.884     2.18925     65.8836     
1 1 1 10 25 9  o 29.1383 4.71922 1.51645      0.671713  2.10987      0.72877   21.7894     89.2311     3.33546     269.231     
1 1 1 10 25 10 o 40.512  4.41967 2.92404      0.95193   3.87123      0.790725  38.0345     256.861     8.82508     256.861     
1 1 1 10 25 11 o 28.8736 5.1446  1.96771      0.770939  1.68263      0.771134  17.7375     41.6126     11.2793     221.613     
1 1 1 10 25 12 o 50.0671 3.46038 4.74103      0.873352  5.18075      0.899371  39.2362     187.655     6.36093     7.65545     
1 1 1 10 25 13 o 17.7945 4.06701 -0.37092     0.517812  1.26444      0.561409  10.1218     57.2629     3.15051     237.263     
1 1 1 10 25 14 o 22.4177 4.62367 0.510452     0.623989  1.58708      0.615273  12.2357     248.375     10.1826     68.3752     
1 1 1 10 25 15 o 41.1974 4.12759 2.88888      0.860353  4.13924      0.811409  29.6566     116.057     9.53636     296.057     
1 1 1 10 25 16 o 26.3659 5.07044 2.32965      0.777712  0.760688     0.778246  21.6163     39.0031     2.56771     39.0031     
1 1 1 10 25 17 o 23.808  4.40025 0.154668     0.65718   2.20096      0.67219   19.444      238.493     3.05976     238.493     
1 1 1 10 25 18 o 35.4078 4.58275 3.89704      0.769427  1.6746       0.808666  27.9806     18.8944     2.05281     198.894     
1 1 1 10 25 19 f 59.7096 3.75765 6.45059      1.08305   8.19317      1.21816   32.8162     267.447     0           0           
1 1 1 10 25 20 o 20.5935 4.97064 0.64768      0.64592   1.20734      0.658708  7.26507     84.0592     17.4491     264.059     
1 1 1 10 25 21 o 20.873  4.98546 1.21965      0.65433   0.730813     0.65151   16.2727     248.267     3.02674     248.267     
1 1 1 10 25 22 o 71.326  3.27053 10.0677      1.19853   10.4951      1.20652   69.3968     344.584     19.2898     344.584     
1 1 1 10 25 23 o 14.6579 4.19197 0.84579      0.606573  -0.802867    0.564719  6.53245     350.314     6.1         170.314     
1 1 1 10 25 24 o 34.3652 4.71003 2.57135      0.828925  2.84657      0.786292  33.045      304.8       11.2527     304.8       
1 1 1 10 25 25 o 29.9899 5.27816 2.3135       0.822103  2.11601      0.813419  21.1311     275.331     5.30588     95.331      
1 1 1 10 25 26 o 16.8505 4.8298  0.837832     0.691028  0.190858     0.657326  9.65543     342.807     1.40995     162.807     
1 1 1 10 25 27 o 16.2438 4.76828 0.664632     0.668242  0.240475     0.670252  8.3748      185.522     0.711405    5.52248     
1 1 1 10 25 28 o 13.52   4.323   0.39743      0.733322  -0.388995    0.557283  3.12867     158.143     1.39677     338.143     
1 1 1 10 25 29 o 15.553  4.74359 0.469606     0.643471  0.231614     0.766806  7.12522     77.0813     2.98243     257.081     
1 1 1 10 25 30 o 15.1066 4.54619 0.127295     0.644297  0.560248     0.625215  6.75966     71.1139     2.85529     251.114     
1 1 1 10 25 31 o 24.8119 5.35247 1.23641      0.791272  2.21907      0.784545  18.0315     334.39      0.617722    154.39      
1 1 1 10 25 32 o 12.8973 4.13136 -0.921233    0.613831  0.5433       0.663303  2.10302     93.1511     10.2493     273.151     
1 1 1 10 25 33 o 17.8248 5.14762 0.826582     0.710501  0.833498     0.798302  7.88576     225.623     2.02974     225.623     
1 1 1 10 25 34 o 26.8709 6.07779 2.43361      0.940931  2.25998      0.978527  21.0186     293.24      4.54952     293.24      
1 1 1 10 25 35 f 17.6412 4.90857 -0.554583    0.6104    1.96564      0.899325  14.155      87.6538     0           0           
1 1 1 10 25 36 o 16.9379 4.55742 0.562274     0.6095    0.879033     0.529814  8.50308     27.0398     2.03676     207.04      
1 1 1 10 25 37 o 34.7225 4.11127 3.1928       0.754406  2.69381      0.674122  35.4017     187.519     19.5552     187.519     
1 1 1 10 25 38 o 17.7431 4.4807  1.34456      0.593715  0.279778     0.553652  10.7545     347.473     0.330824    167.473     
1 1 1 10 25 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 26 0  o 14.1933 6.1459  0.455983     0.864445  0.455983     0.864445  5.14534     2.46915e-05 7.08976     180         
1 1 1 10 26 1  o 36.7454 5.8268  3.75068      1.10375   2.42139      1.07943   36.29       33.1398     13.6249     33.1398     
1 1 1 10 26 2  o 17.2487 5.24256 0.460091     0.863212  -0.084859    0.845103  8.22455     281.835     5.27609     101.835     
1 1 1 10 26 3  o 27.2792 6.10702 1.67927      0.945837  1.78223      0.989881  14.4466     358.112     14.6075     178.112     
1 1 1 10 26 4  o 26.5613 4.52062 1.67897      0.583873  1.32717      0.653496  15.9073     153.953     10.6129     333.953     
1 1 1 10 26 5  o 29.0819 4.54496 1.49677      0.629769  2.12692      0.708866  28.5616     229.352     12.7459     229.352     
1 1 1 10 26 6  f 23.4784 4.43881 1.94341      0.627542  0.324003     0.646098  8.80083     153.33      0           0           
1 1 1 10 26 7  o 56.9741 3.80019 7.02018      1.12827   6.06797      1.08727   50.3408     334.579     4.50074     334.579     
1 1 1 10 26 8  o 42.4641 4.11826 3.94723      0.959903  3.48454      0.804423  30.9866     27.3301     8.9288      207.33      
1 1 1 10 26 9  o 47.1901 3.87152 4.65583      0.938264  4.40515      0.920469  38.5651     41.6152     1.8923      221.615     
1 1 1 10 26 10 o 29.9311 4.68427 1.62035      0.678208  2.28877      0.74215   30.3934     328.281     14.9759     328.281     
1 1 1 10 26 11 o 26.505  4.80861 0.509703     0.741876  2.61323      0.77886   21.2027     161.277     1.18655     161.277     
1 1 1 10 26 12 o 42.7143 3.94143 3.73785      0.816901  3.79069      0.885096  39.1143     203.76      7.57981     203.76      
1 1 1 10 26 13 f 9.78145 3.29519 -0.622285    0.441441  -0.380404    0.478572  4.51252     215.253     0           0           
1 1 1 10 26 14 o 29.7156 4.55796 1.42118      0.676532  2.493        0.700644  30.5485     213.518     15.5005     213.518     
1 1 1 10 26 15 o 34.2886 4.34813 2.12889      0.727281  2.95712      0.755519  29.406      61.0858     3.2324      61.0857     
1 1 1 10 26 16 o 21.966  5.33908 0.76876      0.773557  1.41673      0.743118  16.7294     198.532     1.47573     198.532     
1 1 1 10 26 17 o 26.4757 5.44466 1.77454      0.884674  1.60495      0.704106  14.9285     8.98857     12.1612     188.989     
1 1 1 10 26 18 o 27.5301 5.06829 1.54587      0.730922  2.02477      0.739223  17.8965     47.6687     7.95909     227.669     
1 1 1 10 26 19 o 43.4437 4.03331 4.21574      0.864075  3.88575      0.903094  35.4578     330.174     0.543906    150.174     
1 1 1 10 26 20 o 20.8527 4.69965 0.277362     0.645342  1.62934      0.656473  11.233      93.3591     9.36778     273.359     
1 1 1 10 26 21 o 30.7645 4.80121 2.26581      0.743855  2.15182      0.746536  27.9883     352.652     7.81023     352.652     
1 1 1 10 26 22 o 17.8663 4.50098 -0.219104    0.632591  1.28792      0.622584  6.36987     43.5767     13.5474     223.577     
1 1 1 10 26 23 o 17.1472 4.75503 1.01048      0.68117   0.133963     0.608854  9.99919     309.949     0.928713    129.949     
1 1 1 10 26 24 o 11.2643 3.77143 -0.655282    0.594924  -0.234837    0.586169  0.819171    205.692     8.70497     25.692      
1 1 1 10 26 25 o 44.244  4.41665 4.28339      0.961373  4.76051      1.0079    41.1026     238.611     11.4181     238.611     
1 1 1 10 26 26 o 20.5719 5.12124 0.669892     0.681393  1.52728      0.730564  14.4252     175.196     1.13738     175.196     
1 1 1 10 26 27 o 14.2165 4.33654 -0.406213    0.600979  0.670381     0.640799  4.03538     314.79      0.282062    134.79      
1 1 1 10 26 28 o 23.4977 5.73319 2.16253      0.905968  1.14095      0.848689  16.6192     235.524     0.660076    55.5239     
1 1 1 10 26 29 o 14.4554 4.47041 -0.199147    0.652951  0.614048     0.667128  2.97447     83.1244     0.0993271   263.124     
1 1 1 10 26 30 o 21.3642 4.98596 2.05988      0.755741  0.343514     0.742603  7.80583     65.1734     4.98845     65.1734     
1 1 1 10 26 31 o 16.9639 4.73079 1.34055      0.716681  -0.207713    0.673496  4.00694     6.04399     0.93047     6.04399     
1 1 1 10 26 32 o 23.2428 5.51718 1.29117      0.798328  1.97385      0.807387  16.6447     338.546     2.66667     338.546     
1 1 1 10 26 33 o 19.4567 5.48357 1.2866       0.746956  0.984808     0.993415  10.1678     5.00511     3.76988     5.0051      
1 1 1 10 26 34 o 14.8844 4.72147 0.933163     0.838128  -0.394296    0.717303  3.00357     118.919     0.121658    298.919     
1 1 1 10 26 35 o 15.2712 4.77783 1.03564      0.806995  -0.427206    0.79153   5.84513     164.086     6.03359     344.086     
1 1 1 10 26 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 26 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 27 0  o 12.4635 5.872   -0.0606362   1.02672   -0.0606362   1.02672   2.06335     0.000113112 1.46903     180         
1 1 1 10 27 1  o 24.8416 7.36917 1.37998      1.17261   1.52227      2.17321   20.4131     343.637     6.29043     343.637     
1 1 1 10 27 2  o 20.9663 6.11101 1.31782      0.912079  -1.5678      1.90813   14.3478     254.48      0.686286    74.4796     
1 1 1 10 27 3  o 21.0076 6.22398 0.264299     1.10058   1.25728      1.21138   14.6957     179.775     0.364798    179.775     
1 1 1 10 27 4  f 28.6953 5.91399 2.95518      1.19647   1.23655      0.691785  27.8398     64.8057     0           0           
1 1 1 10 27 5  o 20.6006 4.76369 1.2267       0.598566  0.583223     0.624086  11.563      92.9822     7.90906     272.982     
1 1 1 10 27 6  o 51.0276 3.57831 5.38077      0.967333  5.20448      0.900076  46.74       96.0052     8.62557     96.0052     
1 1 1 10 27 7  o 19.3569 4.76692 0.885851     0.586666  0.709448     0.590752  10.3032     109.277     8.05081     289.277     
1 1 1 10 27 8  o 26.59   4.81178 1.92927      0.680892  1.27836      0.669046  26.5214     328.142     14.2431     328.142     
1 1 1 10 27 9  o 42.0492 3.90914 3.44936      0.822785  3.94827      0.836973  34.7569     145.604     0.268381    145.604     
1 1 1 10 27 10 o 30.1658 4.68522 2.17663      0.707683  1.89374      0.718349  27.4622     267.013     7.46272     267.013     
1 1 1 10 27 11 o 22.5016 5.24171 0.733823     0.729113  1.61286      0.750704  17.2577     239.763     11.6142     239.763     
1 1 1 10 27 12 o 27.811  4.86498 1.58929      0.692208  1.97867      0.707299  24.877      141.911     6.73796     141.911     
1 1 1 10 27 13 o 12.2684 3.89167 -0.256467    0.503676  0.0735246    0.530039  3.7559      102.339     3.36767     282.339     
1 1 1 10 27 14 o 23.9229 4.73468 1.89751      0.649907  0.765023     0.665486  14.8921     350.669     11.7453     350.669     
1 1 1 10 27 15 o 46.0564 3.89287 4.59643      0.928161  4.45795      0.89379   47.4086     125.296     19.7693     125.296     
1 1 1 10 27 16 o 10.738  3.63835 -1.25464     0.539205  -0.122867    0.620128  1.11592     58.2051     8.33741     238.205     
1 1 1 10 27 17 o 18.1815 5.02583 0.61539      0.737837  0.778988     0.646684  11.9889     349.908     3.99214     349.908     
1 1 1 10 27 18 o 30.2433 4.84685 2.76369      0.762151  1.63657      0.744451  16.933      38.0026     14.2055     218.003     
1 1 1 10 27 19 o 18.3457 4.89553 0.900205     0.649841  0.629783     0.627521  11.8494     44.9333     1.16381     44.9333     
1 1 1 10 27 20 o 12.136  3.96233 -0.082225    0.596128  -0.312867    0.570576  2.00811     297.115     7.57754     117.115     
1 1 1 10 27 21 o 12.5536 4.0618  0.0253578    0.618259  -0.255983    0.568997  2.68877     286.162     6.14087     106.162     
1 1 1 10 27 22 o 16.2936 4.82516 0.511982     0.6982    0.483042     0.670754  7.53548     358.188     5.10132     178.188     
1 1 1 10 27 23 o 21.817  5.39292 0.920503     0.755057  1.67906      0.789552  11.0855     249.024     9.93484     69.0241     
1 1 1 10 27 24 o 17.7247 4.685   -0.152165    0.651266  1.3879       0.688041  10.126      189.919     2.76888     9.9191      
1 1 1 10 27 25 o 20.9417 5.25573 1.26278      0.696606  1.15837      0.738933  14.0085     170.269     0.957803    350.269     
1 1 1 10 27 26 o 18.3413 5.07032 0.867262     0.692217  0.900912     0.705021  10.7725     202.353     0.847424    22.3527     
1 1 1 10 27 27 o 20.7951 5.57129 1.84372      0.94726   0.811898     0.714617  12.5771     185.144     2.51503     5.1436      
1 1 1 10 27 28 o 18.3049 5.2387  1.58761      0.870047  0.0571768    0.800285  9.32058     182.983     0.779275    182.983     
1 1 1 10 27 29 o 39.1838 5.01344 4.60285      0.984809  3.40026      0.965612  36.3429     169.722     13.2832     169.722     
1 1 1 10 27 30 o 22.0861 5.32191 1.99778      0.786308  0.89423      0.769935  15.0788     108.883     1.22561     108.883     
1 1 1 10 27 31 o 14.976  4.60999 0.471858     0.687512  0.362926     0.651818  2.58346     335.458     0.0306668   155.459     
1 1 1 10 27 32 o 11.8097 3.96921 -0.0881554   0.653402  -0.541591    0.681113  1.46157     332.852     2.72911     152.852     
1 1 1 10 27 33 o 18.5036 5.63487 0.363438     1.1403    1.63527      0.977823  11.126      260.529     2.37695     260.529     
1 1 1 10 27 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 28 0  o 25.0731 9.95192 2.80732      1.95288   2.80732      1.95288   6.57557     360         28.8638     180         
1 1 1 10 28 1  o 18.7797 6.00365 -1.03545     1.46324   0.993714     1.23048   7.04433     293.294     3.87255     293.294     
1 1 1 10 28 2  o 15.3555 5.15027 -1.41239     1.46644   -0.113289    0.853545  7.72771     197.549     0.264874    17.5493     
1 1 1 10 28 3  o 25.0421 7.81555 5.95835      2.72463   -0.0528727   0.877485  19.6489     205.154     3.45108     205.154     
1 1 1 10 28 4  o 19.393  5.86738 1.10533      1.15473   0.294546     0.943239  6.77709     194.367     15.5409     14.3668     
1 1 1 10 28 5  o 20.1644 4.95889 1.35521      0.724811  0.543822     0.573687  8.984       59.663      12.6863     239.663     
1 1 1 10 28 6  o 26.0286 4.94524 1.47826      0.668139  1.73705      0.69676   17.3521     268.567     6.00518     88.5673     
1 1 1 10 28 7  o 14.3839 4.29853 0.200747     0.531212  0.267759     0.570604  6.90246     245.298     1.03875     65.2979     
1 1 1 10 28 8  o 19.221  4.91867 0.719086     0.635421  0.9497       0.63128   8.8034      179.952     5.50761     179.952     
1 1 1 10 28 9  o 35.8196 4.99498 3.92481      0.872729  2.18343      0.907557  34.2738     297.48      11.8732     297.48      
1 1 1 10 28 10 o 20.9053 5.11548 1.36462      0.67121   0.667969     0.752338  15.8898     100.15      2.82555     100.15      
1 1 1 10 28 11 o 17.2568 4.99668 0.682594     0.725791  0.426654     0.701732  8.79123     312.719     5.74185     132.719     
1 1 1 10 28 12 o 27.4441 4.91629 2.86062      0.750356  0.772459     0.894585  15.2178     180.465     12.5549     0.465464    
1 1 1 10 28 13 o 13.7552 4.22269 0.398841     0.572962  -0.233287    0.584887  4.73804     252.408     5.13139     72.4081     
1 1 1 10 28 14 o 42.9566 4.27281 4.0949       0.922789  4.20581      0.927418  43.1925     213.961     18.0811     213.961     
1 1 1 10 28 15 o 20.2034 5.15318 1.19082      0.701657  0.844515     0.691169  9.58676     55.047      10.0297     235.047     
1 1 1 10 28 16 o 10.2468 3.50539 -0.161756    0.60424   -1.28182     0.515754  2.88862     213.713     17.0899     213.713     
1 1 1 10 28 17 o 18.836  5.16134 0.736797     0.831501  0.94745      0.642985  8.54226     162.312     4.1705      162.312     
1 1 1 10 28 18 o 18.4006 5.0492  1.13258      0.731898  0.484015     0.674181  5.57181     122.234     15.3495     302.234     
1 1 1 10 28 19 o 12.8905 4.11107 -0.435979    0.61274   0.278645     0.591498  1.16086     358.18      0.479702    178.18      
1 1 1 10 28 20 o 12.8089 4.13105 0.274849     0.637176  -0.518667    0.610087  2.98547     207.899     7.77267     27.8991     
1 1 1 10 28 21 o 16.7072 4.6218  1.31366      0.708458  -0.449135    0.650963  8.86385     281.642     1.73624     281.642     
1 1 1 10 28 22 o 19.2577 5.13481 1.23108      0.70503   0.749494     0.721556  11.3354     128.593     4.80853     128.593     
1 1 1 10 28 23 o 19.3301 4.71498 1.80168      0.714921  -0.19756     0.714056  12.3379     30.6566     1.17707     30.6567     
1 1 1 10 28 24 o 12.8069 4.18439 -0.0918042   0.654806  -0.065921    0.64836   1.72341     126.576     2.89048     306.576     
1 1 1 10 28 25 o 14.3893 4.51918 0.20826      0.663292  0.295796     0.684907  2.19503     212.767     1.28261     32.7666     
1 1 1 10 28 26 o 14.1811 4.46092 0.532611     0.688185  -0.180597    0.660872  3.50856     117.997     6.44298     297.997     
1 1 1 10 28 27 o 16.2057 4.93702 1.09977      0.842318  0.00329744   0.694395  6.72053     261.5       2.26203     81.5002     
1 1 1 10 28 28 o 17.6955 4.95085 -0.398521    0.701302  1.79912      0.849697  9.28182     292.087     1.31455     292.087     
1 1 1 10 28 29 o 24.9383 5.72493 2.14804      0.857678  1.88384      0.838809  17.2115     241.886     0.810746    61.8858     
1 1 1 10 28 30 o 15.3532 4.75032 0.489784     0.717969  0.478204     0.720272  2.87929     350.077     0.677413    350.077     
1 1 1 10 28 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 29 0  o 17.1774 7.28872 1.08923      1.16485   1.08923      1.16485   3.05299     180         1.2668      180         
1 1 1 10 29 1  o 28.9987 7.2621  2.30278      1.4163    3.38625      1.38715   17.9464     249.488     8.37328     69.4883     
1 1 1 10 29 2  o 22.165  6.46786 0.771114     1.29743   1.91926      1.21073   15.8683     137.954     2.12755     137.954     
1 1 1 10 29 3  o 20.9982 6.31927 1.31544      1.31353   1.03755      1.09667   14.0705     222.87      0.592895    222.869     
1 1 1 10 29 4  o 19.6991 6.00792 1.6168       1.24279   0.123492     1.02453   9.83224     62.8591     7.71096     242.859     
1 1 1 10 29 5  o 18.0447 5.60025 -0.135353    1.20205   0.932817     0.941117  5.82247     24.298      13.6892     204.298     
1 1 1 10 29 6  f 14.6314 4.30668 0.0287789    0.559565  0.533588     0.55254   9.61086     353.802     0           0           
1 1 1 10 29 7  o 14.7003 4.43873 0.418945     0.615868  0.119682     0.586662  5.65107     344.456     2.79286     164.456     
1 1 1 10 29 8  o 19.7997 4.47551 1.92116      0.71902   -0.37189     0.616581  14.1579     262.144     3.68124     262.144     
1 1 1 10 29 9  o 13.888  4.34238 0.321982     0.644226  -0.112712    0.59614   4.47069     172.681     2.95167     352.681     
1 1 1 10 29 10 o 14.2162 4.44431 0.159853     0.657254  0.141325     0.631916  5.03839     230.03      3.31462     50.0301     
1 1 1 10 29 11 o 20.5294 5.59009 1.50586      0.968     0.833491     0.7069    11.7814     50.811      5.13511     230.811     
1 1 1 10 29 12 o 22.0752 5.82721 1.01061      1.01284   1.72177      0.868593  15.908      321.892     1.82196     321.892     
1 1 1 10 29 13 o 31.1681 5.46321 2.41567      0.926017  2.7463       0.840393  26.1821     355.278     5.06145     355.278     
1 1 1 10 29 14 o 32.3285 5.23005 1.89293      0.901851  3.64313      0.875509  26.5983     96.5843     3.6682      96.5843     
1 1 1 10 29 15 o 29.3395 5.36756 2.93569      0.902068  1.75007      0.76783   25.068      296.115     6.33754     296.115     
1 1 1 10 29 16 o 14.4679 4.59289 0.125449     0.708505  0.204749     0.724104  3.54121     45.9773     11.1391     225.977     
1 1 1 10 29 17 o 22.704  5.78252 1.53242      1.02112   1.6033       0.768761  13.2998     307.5       5.87693     127.5       
1 1 1 10 29 18 o 16.856  4.95627 0.711277     0.730141  0.5849       0.699339  8.21736     32.3935     0.415808    212.393     
1 1 1 10 29 19 o 25.1658 5.61343 1.74997      0.847819  1.96893      0.799316  19.3015     359.942     3.72559     359.942     
1 1 1 10 29 20 o 12.9031 4.15087 0.345016     0.63868   -0.470314    0.613094  1.95831     324.751     4.02289     144.751     
1 1 1 10 29 21 o 22.145  5.45347 1.44839      0.757234  1.45552      0.778438  15.2414     147.259     3.99767     147.259     
1 1 1 10 29 22 o 10.4582 3.57272 -0.307559    0.586447  -0.934444    0.598961  2.68274     52.2197     15.1483     52.2197     
1 1 1 10 29 23 o 16.565  4.71572 1.41075      0.762303  -0.423446    0.651803  6.00881     327.694     0.572542    327.694     
1 1 1 10 29 24 o 15.2959 4.56522 -0.662205    0.743309  1.05112      0.694509  4.62506     239.543     0.360445    59.5427     
1 1 1 10 29 25 o 14.8688 4.64743 0.874444     0.758257  -0.374504    0.733424  4.59911     72.5425     0.723162    252.543     
1 1 1 10 29 26 o 12.9359 4.27445 -0.308033    0.696633  0.142656     0.727984  1.89683     204.02      1.06919     24.0205     
1 1 1 10 29 27 o 17.2681 5.50819 1.16444      1.07134   0.427689     1.03254   7.92372     163.233     5.85608     343.233     
1 1 1 10 29 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 30 0  o 14.1336 6.36336 0.586056     1.02546   0.586056     1.02546   0.673445    180         23.5033     180         
1 1 1 10 30 1  o 19.1047 5.6225  0.338391     0.948348  1.41816      0.964476  0.896336    43.1018     0.505575    43.1018     
1 1 1 10 30 2  o 15.0881 4.94189 0.478168     0.913894  -0.843755    1.00744   3.57183     30.8815     12.5168     210.881     
1 1 1 10 30 3  o 19.3679 5.78083 -0.419       0.961141  2.10822      1.1856    12.2793     36.2419     4.07596     36.2419     
1 1 1 10 30 4  o 29.4168 7.00583 3.04315      1.17424   3.02559      1.38985   20.5848     111.663     2.87847     291.663     
1 1 1 10 30 5  f 16.1511 5.18954 -0.717151    0.881179  1.05581      1.05896   10.3877     130.961     0           0           
1 1 1 10 30 6  o 31.2036 5.1038  -0.456657    1.48855   5.09256      1.06459   24.6213     76.7998     1.68463     76.7998     
1 1 1 10 30 7  o 41.5174 4.80766 5.61733      0.979218  2.94342      0.946771  35.3196     11.4244     5.6144      11.4244     
1 1 1 10 30 8  o 24.5247 5.43567 2.07781      0.801095  1.30627      0.774093  19.7239     44.496      5.1229      44.496      
1 1 1 10 30 9  o 17.6782 4.91143 1.30412      0.731392  -0.00517112  0.723222  10.0215     327.719     0.916368    147.719     
1 1 1 10 30 10 o 16.4514 4.85599 1.09774      0.76754   -0.129302    0.700774  6.93743     105.071     6.49155     285.071     
1 1 1 10 30 11 o 13.7228 4.36196 -0.826009    0.704835  0.592869     0.697703  3.80998     334.574     5.02526     154.574     
1 1 1 10 30 12 o 12.5699 4.26445 -0.251841    0.824748  -0.760948    0.777103  1.05115     92.5602     1.43818     272.56      
1 1 1 10 30 13 o 30.9021 5.54316 2.10008      0.896111  3.2998       0.923417  27.4295     47.3804     10.1118     47.3804     
1 1 1 10 30 14 o 13.5842 4.38456 0.351825     0.712206  -0.371952    0.683426  1.97109     216.948     10.4752     36.9484     
1 1 1 10 30 15 o 30.2239 5.38472 1.64082      0.908056  3.61149      0.9116    23.321      62.1985     2.4378      62.1984     
1 1 1 10 30 16 o 17.3591 5.15395 0.815571     0.75821   0.649667     0.818004  2.6274      327.833     0.60646     327.833     
1 1 1 10 30 17 o 11.5411 3.89274 -0.514683    0.673126  -0.322113    0.62596   0.289765    294.109     10.5411     294.109     
1 1 1 10 30 18 o 19.8583 5.32513 0.899874     0.732068  1.4007       0.788589  12.0345     109.082     2.60014     109.082     
1 1 1 10 30 19 o 12.3481 4.07462 -0.0514283   0.654833  -0.242475    0.628581  1.6035      16.2942     3.57679     196.294     
1 1 1 10 30 20 o 17.3999 4.89473 -0.0178443   0.726231  1.39505      0.743504  8.36342     135.56      4.20134     315.56      
1 1 1 10 30 21 o 14.0489 4.43565 -0.362251    0.683349  0.654202     0.694727  2.90688     13.0095     0.705822    193.01      
1 1 1 10 30 22 o 20.158  4.58274 2.29581      0.762551  -0.496975    0.717473  13.3801     196.032     6.96662     196.032     
1 1 1 10 30 23 f 14.0156 4.38504 -0.715735    0.677763  0.821071     0.699285  9.5887      44.0523     0           0           
1 1 1 10 30 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 31 0  o 8.00273 4.07313 -1.10157     0.833326  -1.10157     0.833326  0.35562     9.04492e-05 1.22842     9.04492e-05 
1 1 1 10 31 1  o 17.3797 5.40647 0.159362     0.925113  1.12395      0.99235   6.67891     284.012     7.64146     104.012     
1 1 1 10 31 2  o 14.2078 4.6804  0.654698     0.896     -1.41866     0.904141  2.4695      171.295     1.80803     351.295     
1 1 1 10 31 3  o 17.3597 5.4017  1.06914      0.981355  0.226183     0.928412  7.10061     325.111     0.219404    145.111     
1 1 1 10 31 4  o 14.4745 4.80997 0.304622     0.950233  -0.547435    0.903535  2.7784      98.0811     9.97432     278.081     
1 1 1 10 31 5  o 18.4122 5.65925 0.750906     0.963491  1.08185      1.04803   8.65454     18.4158     3.7794      198.416     
1 1 1 10 31 6  f 14.0138 4.72932 -0.243889    0.930287  -0.367475    0.989069  4.42047     148.2       0           0           
1 1 1 10 31 7  o 14.652  4.43237 -1.48908     0.994593  0.77614      0.592124  3.91106     295.105     3.70324     115.105     
1 1 1 10 31 8  o 13.1233 4.24968 0.0558832    0.652217  -0.0752819   0.651757  1.98852     217.576     6.73667     37.5757     
1 1 1 10 31 9  o 25.7744 5.4353  2.46342      0.79893   1.37543      0.877046  17.9477     252.29      0.304312    72.2902     
1 1 1 10 31 10 o 16.9219 5.02131 0.466794     0.712691  0.874581     0.779212  7.3458      210.275     3.24421     30.2755     
1 1 1 10 31 11 f 17.4914 5.08822 0.613774     0.706607  0.952817     0.779614  3.77583     26.6581     0           0           
1 1 1 10 31 12 o 12.6154 4.20808 -0.0116587   0.753711  -0.452174    0.674581  1.20002     149.085     1.88487     329.086     
1 1 1 10 31 13 o 21.3089 4.99927 -0.423221    0.716424  2.8053       0.938259  15.0355     258.202     5.17574     258.202     
1 1 1 10 31 14 o 14.3975 4.54147 -0.241386    0.67923   0.660056     0.734081  4.51677     108.887     3.34113     288.887     
1 1 1 10 31 15 o 14.6489 4.56345 0.752081     0.705841  -0.28348     0.716883  2.65562     314.178     0.153921    134.178     
1 1 1 10 31 16 o 15.3959 4.80626 0.802759     0.748148  -0.105925    0.833857  5.46179     149.312     7.0396      329.312     
1 1 1 10 31 17 o 14.7578 4.649   0.621666     0.753254  0.0282782    0.697018  4.97601     305.823     0.513891    125.823     
1 1 1 10 31 18 o 14.5159 4.58659 0.502668     0.70171   0.0506777    0.728051  2.53566     303.563     0.247577    303.563     
1 1 1 10 31 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 31 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 32 0  o 24.8178 8.2265  2.48942      1.18536   2.48942      1.18536   21.1401     180         14.1029     180         
1 1 1 10 32 1  o 14.4418 4.82833 -0.0388159   0.993246  -0.0452883   0.914422  4.47594     218.105     4.16229     38.1053     
1 1 1 10 32 2  o 13.4976 4.57507 -0.0948521   0.914245  -0.585126    0.93044   3.14294     87.936      3.15574     267.936     
1 1 1 10 32 3  o 16.4098 5.27744 0.106031     0.994277  0.887876     0.996799  6.53717     142.736     0.0974202   142.736     
1 1 1 10 32 4  o 19.0229 5.75378 0.714128     1.03581   1.57164      1.02678   8.41998     44.3672     3.4659      44.3672     
1 1 1 10 32 5  o 12.4536 4.27661 -2.16244     0.925306  0.183892     0.884513  1.10387     204.25      1.25255     24.2497     
1 1 1 10 32 6  o 18.253  5.71396 1.04116      1.08104   1.00682      1.05708   9.09234     152.381     2.39321     152.381     
1 1 1 10 32 7  o 16.7267 5.37953 1.33857      1.08988   -0.314993    1.01986   7.90615     321.978     1.16147     141.978     
1 1 1 10 32 8  o 17.7217 5.46123 1.06074      1.049     0.753933     0.834553  9.3121      141.802     1.80055     321.802     
1 1 1 10 32 9  o 20.6018 5.20803 1.75511      0.752049  0.747096     0.747021  14.5327     209.101     5.51035     209.101     
1 1 1 10 32 10 o 15.4463 4.68566 0.996407     0.734148  -0.237136    0.703959  6.78839     89.635      0.790135    269.635     
1 1 1 10 32 11 o 16.0096 4.75482 1.0774       0.72221   -0.0979323   0.715026  6.24284     218.807     1.54312     218.807     
1 1 1 10 32 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 32 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 10 32 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 0  1  o 58.2668 2.67531 6.30246      0.800107  6.30246      0.800107  24.5598     270         134.615     270         
1 1 1 11 0  2  o 218.879 2.22469 87.8758      2.52292   87.8758      2.52292   283.437     180         111.948     180         
1 1 1 11 0  3  f 221.129 2.22394 89.6906      2.54801   89.6906      2.54801   93.9477     90          0           0           
1 1 1 11 0  4  o 259.782 2.27689 123.771      3.065     123.771      3.065     212.066     360         115.417     180         
1 1 1 11 0  5  o 18.3897 5.51053 0.879312     0.531806  0.879312     0.531806  34.2249     270         72.1238     270         
1 1 1 11 0  6  o 14.4737 5.30631 0.560147     0.514649  0.560147     0.514649  6.42494     180         13.2644     180         
1 1 1 11 0  7  o 210.164 2.21494 81.0249      2.41176   81.0249      2.41176   139.532     270         156.486     90          
1 1 1 11 0  8  o 138.168 2.18695 35.0496      1.56454   35.0496      1.56454   80.9775     360         123.924     180         
1 1 1 11 0  9  o 330.109 2.41351 199.853      4.12888   199.853      4.12888   338.917     270         4.85376     90          
1 1 1 11 0  10 o 492.69  2.83296 445.217      7.23404   445.217      7.23404   662.888     2.17377e-07 308.134     2.17377e-07 
1 1 1 11 0  11 o 5.2427  2.69444 -0.892461    0.412068  -0.892461    0.412068  40.3813     90          81.1019     90          
1 1 1 11 0  12 o 317.31  2.39071 184.678      3.93124   184.678      3.93124   245.638     1.05314e-06 162.228     180         
1 1 1 11 0  13 o 74.3226 2.38598 10.1912      0.91489   10.1912      0.91489   29.3377     270         27.2623     90          
1 1 1 11 0  14 o 54.1282 3.04125 5.47548      0.840548  5.47548      0.840548  0.613678    360         32.1255     360         
1 1 1 11 0  15 o 125.868 2.5448  29.1274      1.65729   29.1274      1.65729   155.735     270         58.6413     270         
1 1 1 11 0  16 o 155.675 2.55716 44.5228      2.061     44.5228      2.061     215.127     180         112.584     180         
1 1 1 11 0  17 o 12.051  4.83905 0.347316     0.468792  0.347316     0.468792  23.5741     90          49.1141     90          
1 1 1 11 0  18 o 90.1941 2.48799 14.9907      1.15918   14.9907      1.15918   53.8053     360         40.9825     360         
1 1 1 11 0  19 o 81.4501 2.72451 12.2543      1.14441   12.2543      1.14441   100.123     90          38.5023     90          
1 1 1 11 0  20 o 295.24  2.75581 160.046      4.21585   160.046      4.21585   275.137     1.33643e-06 47.6238     180         
1 1 1 11 0  21 o 110.95  2.25586 22.6381      1.29496   22.6381      1.29496   132.464     90          40.8626     90          
1 1 1 11 0  22 o 103.366 2.29153 19.66        1.22509   19.66        1.22509   123.708     5.12048e-06 39.3027     5.12048e-06 
1 1 1 11 0  23 o 15.648  5.25245 0.661629     0.484526  0.661629     0.484526  14.3024     270         33.3008     270         
1 1 1 11 0  24 o 111.773 2.29461 22.9812      1.32693   22.9812      1.32693   94.6892     2.97201e-06 34.3704     180         
1 1 1 11 0  25 o 48.8709 2.86024 4.47457      0.712756  4.47457      0.712756  20.202      90          137.642     90          
1 1 1 11 0  26 o 70.6972 2.5031  9.24248      0.912027  9.24248      0.912027  91.8312     360         62.8272     360         
1 1 1 11 0  27 o 69.0079 2.55907 8.81379      0.909619  8.81379      0.909619  72.713      90          9.24633     90          
1 1 1 11 0  28 o 141.484 2.31789 36.8         1.69787   36.8         1.69787   138.469     2.86261e-06 2.4371      180         
1 1 1 11 0  29 o 176.995 2.3153  57.5672      2.12258   57.5672      2.12258   186.72      270         25.2514     270         
1 1 1 11 0  30 o 127.334 2.50726 29.8477      1.65201   29.8477      1.65201   196.019     180         142.535     180         
1 1 1 11 0  31 o 85.5322 2.63097 13.5203      1.16144   13.5203      1.16144   106.234     90          45.7055     90          
1 1 1 11 0  32 o 221.213 2.53105 90.0215      2.90059   90.0215      2.90059   230.102     180         30.2358     180         
1 1 1 11 0  33 o 61.003  2.91186 6.94446      0.910991  6.94446      0.910991  47.9315     90          22.1886     270         
1 1 1 11 0  34 f 13.9031 5.54226 0.484847     0.609021  0.484847     0.609021  40.2527     180         0           0           
1 1 1 11 0  35 o 125.867 2.58112 29.2606      1.68082   29.2606      1.68082   132.344     90          23.2576     90          
1 1 1 11 0  36 o 38.4118 3.59375 2.87229      0.680685  2.87229      0.680685  46.3951     9.73355e-06 24.5463     9.73355e-06 
1 1 1 11 0  37 o 20.981  5.89312 1.14208      0.618572  1.14208      0.618572  3.9556      90          25.793      270         
1 1 1 11 0  38 o 32.8461 4.96136 2.27504      0.742082  2.27504      0.742082  36.4585     180         15.1851     180         
1 1 1 11 0  39 o 19.5754 5.43861 0.99385      0.528922  0.99385      0.528922  8.38376     90          1.3582      270         
1 1 1 11 0  40 o 31.1167 4.17786 1.99846      0.603234  1.99846      0.603234  23.5061     180         11.1669     360         
1 1 1 11 0  41 o 11.1849 4.93855 0.177461     0.585129  0.177461     0.585129  0.159647    270         3.54711     270         
1 1 1 11 0  42 o 26.8352 4.7561  1.59071      0.572271  1.59071      0.572271  13.1718     2.8246e-06  23.3327     180         
1 1 1 11 0  43 o 18.5038 5.60411 0.940966     0.549133  0.940966     0.549133  6.66557     90          20.2978     270         
1 1 1 11 0  44 o 9.01716 4.26004 -0.139773    0.546892  -0.139773    0.546892  10.2744     180         34.2505     180         
1 1 1 11 0  45 o 31.1593 5.08782 2.14236      0.715137  2.14236      0.715137  26.2556     270         4.18875     90          
1 1 1 11 0  46 o 11.9642 4.98329 0.358219     0.526082  0.358219     0.526082  1.16956     8.65167e-06 21.0606     8.65167e-06 
1 1 1 11 0  47 o 48.586  3.14808 4.58104      0.776731  4.58104      0.776731  46.3679     270         5.38183     270         
1 1 1 11 0  48 o 71.2959 2.80084 9.69791      1.02775   9.69791      1.02775   79.1521     180         30.9182     180         
1 1 1 11 0  49 o 34.9128 4.19101 2.57059      0.692859  2.57059      0.692859  27.3114     270         7.35989     90          
1 1 1 11 0  50 o 15.6744 5.74262 0.788272     0.602481  0.788272     0.602481  1.08549     180         25.3231     8.64624e-06 
1 1 1 11 0  51 o 14.3002 5.52931 0.663866     0.58497   0.663866     0.58497   8.04204     270         1.94866     270         
1 1 1 11 0  52 o 40.3345 4.17463 3.47569      0.818195  3.47569      0.818195  37.9794     180         5.76373     180         
1 1 1 11 0  53 o 8.39564 4.13471 -0.39535     0.645561  -0.39535     0.645561  0.333426    90          2.3748      90          
1 1 1 11 0  54 o 15.9237 5.88919 0.901563     0.637892  0.901563     0.637892  9.21556     180         7.16797     8.70332e-06 
1 1 1 11 0  55 o 26.9248 5.68346 1.93217      0.690526  1.93217      0.690526  27.7871     90          9.90358     90          
1 1 1 11 0  56 o 13.5161 5.83079 0.670051     0.771599  0.670051     0.771599  3.14742     4.39505e-06 12.5867     180         
1 1 1 11 0  57 o 7.90505 3.90179 -0.345101    0.583748  -0.345101    0.583748  0.481638    89.9999     1.91019     89.9999     
1 1 1 11 0  58 o 17.6151 6.62074 1.30776      0.816582  1.30776      0.816582  9.57304     360         4.44857     360         
1 1 1 11 0  59 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 1  0  o 344.49  2.81847 217.662      5.03142   217.662      5.03142   393.523     270         70.9966     270         
1 1 1 11 1  1  o 321.024 2.6588  185.36       4.24633   192.677      4.60097   372.423     241.558     91.2305     241.558     
1 1 1 11 1  2  o 226.249 2.38803 93.714       2.80266   94.0162      2.7986    178.011     254.563     100.343     74.5632     
1 1 1 11 1  3  f 220.583 2.38122 90.6502      2.73199   87.8085      2.7132    159.63      277.848     0           0           
1 1 1 11 1  4  o 464.903 2.93585 395.28       7.07759   397.641      7.07238   520.596     145.651     84.515      145.651     
1 1 1 11 1  5  o 340.301 2.60362 212.563      4.59693   212.211      4.58853   368.71      253.519     42.7766     253.519     
1 1 1 11 1  6  o 261.79  2.36279 122.687      3.30171   128.708      3.10166   320.031     145.57      115.626     145.57      
1 1 1 11 1  7  o 323.958 2.39738 193.253      4.02794   191.687      4.02371   374.132     25.7533     90.1087     25.7533     
1 1 1 11 1  8  o 309.075 2.36926 176.743      3.79931   173.655      3.7922    257.607     195.739     114.687     15.7393     
1 1 1 11 1  9  o 116.286 2.22378 23.9196      1.33608   25.7309      1.34117   85.7634     130.43      37.0653     310.43      
1 1 1 11 1  10 o 301.172 2.3548  164.603      3.67285   168.142      3.67928   287.437     205.439     35.9524     25.4389     
1 1 1 11 1  11 o 213.613 2.22042 83.0685      2.45783   84.3175      2.45934   215.935     61.9657     8.61993     61.9657     
1 1 1 11 1  12 o 230.506 2.24712 98.0521      2.68555   96.8721      2.68432   140.821     214.774     182.158     34.7737     
1 1 1 11 1  13 o 208.099 2.2233  80.8158      2.40197   78.0733      2.39416   161.908     4.92123     90.4194     184.921     
1 1 1 11 1  14 f 22.4022 3.8779  1.72649      0.523942  0.0941288    0.524947  167.598     25.387      0           0           
1 1 1 11 1  15 o 150.443 2.54412 43.17        1.987     39.9438      1.97905   113.158     183.352     66.5329     3.35212     
1 1 1 11 1  16 o 131.857 2.56051 31.8911      1.74756   31.9911      1.74933   86.7948     104.976     81.8822     284.976     
1 1 1 11 1  17 o 75.7912 2.53593 11.2127      1.0027    9.94638      0.98259   50.1494     254.294     25.518      74.2938     
1 1 1 11 1  18 o 123.877 2.38031 27.5649      1.52864   28.8282      1.52479   99.8538     13.9472     41.3975     193.947     
1 1 1 11 1  19 o 88.5917 2.48933 14.6487      1.15025   14.2243      1.13152   108.489     312.045     65.5391     312.045     
1 1 1 11 1  20 o 107.286 2.42594 21.7334      1.34909   20.5949      1.34507   107.956     358.415     9.42702     358.415     
1 1 1 11 1  21 o 171.312 2.38907 53.0573      2.11118   54.7575      2.13175   165.19      40.4776     9.67662     220.478     
1 1 1 11 1  22 o 50.3913 2.69383 5.32166      0.703134  4.10602      0.686239  24.9736     241.319     30.9421     61.3186     
1 1 1 11 1  23 o 210.163 2.27453 82.6592      2.4829    79.6139      2.47237   196.493     224.862     24.4488     44.8624     
1 1 1 11 1  24 o 107.197 2.46709 19.8975      1.36436   22.4203      1.37036   124.508     191.649     47.2058     191.649     
1 1 1 11 1  25 o 182.158 2.34951 63.0853      2.30432   58.8904      2.13325   209.149     178.105     60.8333     178.105     
1 1 1 11 1  26 o 63.7275 2.67342 6.73011      0.896706  8.30094      0.847724  41.4786     175.589     32.5416     355.589     
1 1 1 11 1  27 o 103.206 2.52699 18.2664      1.3312    20.9982      1.36566   102.157     183.286     7.39621     183.286     
1 1 1 11 1  28 o 109.941 2.44121 20.7643      1.33068   23.7827      1.44903   123.743     77.2596     38.1477     77.2596     
1 1 1 11 1  29 o 18.0188 4.61055 0.291117     0.527263  0.695282     0.594404  22.4494     133.847     60.953      133.847     
1 1 1 11 1  30 o 155.427 2.39136 43.8505      1.85836   45.0491      1.99408   169.593     116.238     39.8442     116.238     
1 1 1 11 1  31 f 167.417 2.41598 53.5089      2.03574   49.7436      2.14965   150.661     76.3265     0           0           
1 1 1 11 1  32 o 198.032 2.33885 72.0091      2.40327   72.4767      2.39843   222.155     115.229     62.9655     115.229     
1 1 1 11 1  33 o 48.6281 2.95034 4.99906      0.741072  3.8528       0.723515  49.6687     37.9164     27.8664     37.9164     
1 1 1 11 1  34 o 25.6855 4.76941 1.58302      0.658457  1.00122      0.644642  4.29849     202.702     31.4277     22.7021     
1 1 1 11 1  35 o 85.6533 2.49494 13.6433      1.10468   13.5603      1.10603   65.4223     282.115     30.7708     102.115     
1 1 1 11 1  36 o 46.6292 2.99129 4.55163      0.724635  3.64018      0.700545  46.1785     358.564     10.4635     358.564     
1 1 1 11 1  37 o 67.1716 2.87033 7.78737      0.952674  9.13517      1.03698   62.7081     18.5732     1.63159     18.5732     
1 1 1 11 1  38 o 55.9897 3.15004 6.47914      0.872202  5.3954       0.927556  40.1116     311.774     22.4296     131.774     
1 1 1 11 1  39 o 25.8535 4.39536 1.14295      0.584051  1.55168      0.585454  18.6945     352.714     1.82588     172.714     
1 1 1 11 1  40 o 83.4928 2.685   13.6097      1.12688   12.6511      1.18661   67.0484     53.0414     20.6344     233.041     
1 1 1 11 1  41 o 47.6342 3.88846 4.55164      0.934542  4.36026      0.949471  50.1481     78.4848     14.9681     78.4848     
1 1 1 11 1  42 o 79.1685 2.71035 12.5788      1.15665   11.1768      1.06194   80.0196     121.604     14.8392     121.604     
1 1 1 11 1  43 o 63.6201 2.93081 7.86952      0.973723  7.62326      0.948856  50.2961     154.86      15.1983     334.86      
1 1 1 11 1  44 o 52.3593 3.31718 5.88986      0.952811  4.8447       0.830137  56.5094     138.719     19.5205     138.719     
1 1 1 11 1  45 o 44.214  3.47118 4.31501      0.783305  3.4549       0.772246  49.8295     26.9698     22.319      26.9698     
1 1 1 11 1  46 o 20.5224 4.49044 0.432255     0.559246  1.29762      0.568527  16.5066     120.713     4.62241     120.713     
1 1 1 11 1  47 o 17.767  4.5882  0.364552     0.559251  0.820072     0.566613  10.3615     170.963     4.84907     350.963     
1 1 1 11 1  48 o 22.991  4.55044 0.660228     0.592344  1.68747      0.610152  14.9603     266.396     7.57335     86.3956     
1 1 1 11 1  49 o 16.3153 4.56708 0.564121     0.581901  0.362981     0.568476  1.86427     315.449     22.1025     135.449     
1 1 1 11 1  50 o 14.8076 4.088   -0.55571     0.544838  0.837772     0.538944  8.70484     197.686     0.493231    197.686     
1 1 1 11 1  51 o 20.7639 4.8959  1.18249      0.621377  0.932778     0.620915  18.2096     295.256     10.6222     295.256     
1 1 1 11 1  52 o 29.5003 4.80602 2.51835      0.740338  1.7879       0.70852   32.0016     224.067     18.2415     224.067     
1 1 1 11 1  53 o 21.8938 5.04486 1.86767      0.731281  0.714107     0.675524  18.356      155.796     5.40522     155.796     
1 1 1 11 1  54 o 13.9574 4.32112 0.430168     0.613451  0.0401273    0.588647  4.03827     74.7334     0.153621    74.7334     
1 1 1 11 1  55 o 12.7297 4.05613 0.56312      0.624988  -0.783707    0.591576  3.16935     133.102     2.20319     313.102     
1 1 1 11 1  56 o 24.7334 5.4407  1.80008      0.718457  1.96774      0.827768  20.0858     184.925     4.31665     184.925     
1 1 1 11 1  57 o 24.7536 5.5994  2.44187      0.872918  1.56975      0.772997  21.8116     27.9607     10.4828     27.9607     
1 1 1 11 1  58 o 11.3935 3.86443 -0.677902    0.657582  -0.0434351   0.666946  1.78378     6.97318     5.67922     186.973     
1 1 1 11 1  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 2  0  o 53.7079 3.15882 5.39793      0.864919  5.39793      0.864919  2.6914      90.0003     17.9062     90.0003     
1 1 1 11 2  1  o 309.129 2.73392 179.453      4.38585   171.126      4.37421   304.235     6.0619      21.8897     186.062     
1 1 1 11 2  2  o 168.767 2.52233 51.2894      2.20066   53.1856      2.21216   209.253     292.996     107.686     292.996     
1 1 1 11 2  3  o 200.615 2.54128 72.3269      2.63646   75.3055      2.64836   198.45      57.3596     0.213491    237.362     
1 1 1 11 2  4  o 275.1   2.46123 138.651      3.50752   138.924      3.51192   303.014     156         50.1918     156         
1 1 1 11 2  5  o 357.902 2.64332 234.466      4.90147   235.412      4.9064    379.181     74.0194     26.8219     74.0194     
1 1 1 11 2  6  o 154.701 2.33973 43.2679      1.87414   44.5136      1.87811   107.58      245.371     85.7221     65.3706     
1 1 1 11 2  7  o 103.734 2.42112 18.0658      1.28387   21.5238      1.31097   66.1897     75.3725     45.8607     255.372     
1 1 1 11 2  8  o 329.372 2.57729 201.959      4.40542   196.052      4.39459   352.948     217.003     36.1728     217.003     
1 1 1 11 2  9  o 75.9511 2.55336 11.0264      1.00709   10.193       0.996841  24.4641     241.367     48.2197     61.3672     
1 1 1 11 2  10 o 142.582 2.19002 37.1816      1.61983   37.3889      1.61739   122.123     91.281      24.7339     271.281     
1 1 1 11 2  11 o 116.969 2.22038 24.8985      1.34254   25.3274      1.34749   108.863     70.668      54.6729     70.668      
1 1 1 11 2  12 o 57.4289 2.56651 5.0108       0.736014  7.24369      0.769745  3.7917      178.228     55.9018     178.228     
1 1 1 11 2  13 o 198.818 2.36089 73.0346      2.43248   72.0123      2.43366   266.036     334.147     153.683     334.147     
1 1 1 11 2  14 o 53.1257 2.79382 5.2664       0.759698  5.15323      0.767826  8.45822     164.494     73.3804     164.494     
1 1 1 11 2  15 o 53.4999 3.16019 5.26904      0.843144  5.31995      0.893082  3.46965     223.798     24.8674     43.7977     
1 1 1 11 2  16 o 113.092 2.58709 23.8423      1.53015   23.1711      1.49914   82.2951     171.062     49.0475     351.062     
1 1 1 11 2  17 o 24.9835 4.52447 1.59544      0.647167  0.818967     0.552364  27.7526     300.434     69.9728     300.434     
1 1 1 11 2  18 o 51.3659 2.91077 4.87917      0.818405  4.87896      0.714764  4.6306      232.116     75.1114     52.1158     
1 1 1 11 2  19 o 143.695 2.30502 36.9892      1.76536   38.8406      1.66368   141.433     69.5558     1.19437     249.556     
1 1 1 11 2  20 o 85.4218 2.42403 13.3836      1.10855   13.462       1.03213   47.1597     353.792     69.4455     173.792     
1 1 1 11 2  21 o 135.168 2.50419 33.1236      1.67554   34.058       1.82907   122.362     44.3327     20.8356     224.333     
1 1 1 11 2  22 o 100.016 2.57159 17.9243      1.26211   18.8964      1.39924   75.6726     40.4099     41.1584     220.41      
1 1 1 11 2  23 o 106.813 2.47285 19.2911      1.25089   22.7558      1.48603   71.3515     48.7531     64.2072     228.753     
1 1 1 11 2  24 o 23.9828 4.00347 0.494345     0.491727  1.75844      0.550462  25.9551     270.522     78.3302     270.522     
1 1 1 11 2  25 o 56.4764 2.65655 5.73203      0.774641  6.05165      0.771363  48.4028     119.077     16.7835     119.077     
1 1 1 11 2  26 o 118.789 2.29972 26.5922      1.42156   25.3106      1.40757   128.529     18.973      28.9349     18.973      
1 1 1 11 2  27 o 100.696 2.3566  19.3966      1.23594   17.9323      1.21994   99.1943     108.828     6.59387     108.828     
1 1 1 11 2  28 o 42.5711 3.07078 3.19062      0.671363  3.5613       0.66244   25.2191     359.616     14.1212     179.616     
1 1 1 11 2  29 o 33.3134 3.78601 1.49291      0.610032  2.80902      0.618165  8.89244     244.753     19.7857     64.7531     
1 1 1 11 2  30 o 93.9174 2.42867 17.3438      1.19394   15.1995      1.16461   121.927     353.803     74.7375     353.803     
1 1 1 11 2  31 o 53.1295 2.82744 5.61756      0.781387  4.86824      0.762577  22.9914     281.8       47.6827     101.8       
1 1 1 11 2  32 o 122.219 2.35456 27.1253      1.49193   27.9628      1.48834   104.832     247.873     23.4881     67.8727     
1 1 1 11 2  33 o 59.0448 2.74434 7.03804      0.848703  5.92921      0.819274  43.6051     203.604     20.5738     23.6045     
1 1 1 11 2  34 o 90.4864 2.8846  14.9112      1.34872   15.5107      1.34994   96.439      8.90147     22.2915     8.90147     
1 1 1 11 2  35 o 79.7106 2.52119 11.7748      1.03749   11.8012      1.04068   79.7648     249.452     10.4443     249.452     
1 1 1 11 2  36 f 81.9153 2.66184 12.8783      1.12885   12.1078      1.12489   58.2553     274.018     0           0           
1 1 1 11 2  37 o 19.488  4.38479 0.948933     0.506023  0.44597      0.525265  2.64908     274.49      3.7411      94.4903     
1 1 1 11 2  38 o 26.2637 4.16667 1.17851      0.555415  1.56709      0.554189  18.3532     15.1436     0.359001    195.144     
1 1 1 11 2  39 o 17.9413 4.39694 0.872039     0.527655  0.188076     0.531572  2.81461     8.22451     1.24719     188.225     
1 1 1 11 2  40 o 100.865 2.78909 18.595       1.50429   19.8         1.39971   109.981     257.904     33.0526     257.904     
1 1 1 11 2  41 o 47.4087 3.5043  4.06297      0.848921  4.66931      0.843285  56.6118     217.223     29.1468     217.223     
1 1 1 11 2  42 o 38.4562 3.55281 3.91838      0.670949  2.0146       0.649171  25.1169     300.509     18.7997     120.509     
1 1 1 11 2  43 o 54.7382 3.14122 6.49053      0.899194  5.11092      0.861462  40.8634     8.26703     17.4609     188.267     
1 1 1 11 2  44 o 29.0353 4.27221 1.72203      0.594959  1.77073      0.648967  32.2733     180.754     18.8121     180.754     
1 1 1 11 2  45 o 13.3083 4.06286 -0.264468    0.520614  0.246858     0.529797  2.72102     156.717     1.7862      336.717     
1 1 1 11 2  46 o 15.9547 4.41163 0.0360196    0.524601  0.679981     0.575462  7.92769     44.3473     4.46296     224.347     
1 1 1 11 2  47 o 17.9538 4.69136 0.381361     0.603808  0.814777     0.579424  11.2521     262.234     2.74191     82.2343     
1 1 1 11 2  48 o 41.4865 3.85897 3.4719       0.816453  3.69449      0.801229  48.7697     129.577     26.8117     129.577     
1 1 1 11 2  49 o 17.927  4.70864 0.682896     0.595483  0.654172     0.570888  12.5929     282.291     0.33804     102.291     
1 1 1 11 2  50 o 21.0944 4.94937 1.16176      0.663236  0.977474     0.599815  17.2783     245.094     2.28977     245.094     
1 1 1 11 2  51 o 17.932  4.72336 0.400305     0.644609  0.978841     0.586592  11.7258     240.764     2.93481     60.7641     
1 1 1 11 2  52 o 18.796  4.95754 1.18837      0.688619  0.543141     0.639292  9.09033     246.585     10.4321     66.5852     
1 1 1 11 2  53 o 12.9738 4.03463 -0.892297    0.56887   0.615284     0.603307  4.27766     109.741     3.70173     289.741     
1 1 1 11 2  54 o 29.4422 4.80585 1.96195      0.734621  2.53057      0.710916  24.7891     223.495     2.28372     223.495     
1 1 1 11 2  55 o 10.66   3.60522 -1.56918     0.56998   0.175448     0.604356  0.8819      157.847     5.5548      337.847     
1 1 1 11 2  56 f 29.5997 4.90103 3.03466      0.759464  1.81847      0.753816  20.6466     349.601     0           0           
1 1 1 11 2  57 o 16.8595 4.98362 1.48877      0.832808  -0.0586513   0.730402  8.37607     184.789     4.17326     4.7887      
1 1 1 11 2  58 o 13.404  4.28338 0.716331     0.680679  -0.56862     0.673747  4.53453     56.6253     2.95855     236.625     
1 1 1 11 2  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 3  0  o 110.201 2.60871 22.3394      1.4864    22.3394      1.4864    79.4956     90          43.1387     90          
1 1 1 11 3  1  o 80.03   2.7573  13.3031      1.14514   10.3414      1.1242    9.07865     321.221     1.76728     141.22      
1 1 1 11 3  2  o 48.1229 3.1769  4.36499      0.762874  4.20728      0.802127  37.8233     104.277     126.52      104.277     
1 1 1 11 3  3  o 389.487 2.82983 275.678      5.48413   280.87       5.93726   370.317     265.928     58.1054     85.9279     
1 1 1 11 3  4  o 132.193 2.44442 30.921       1.60652   33.2406      1.74113   104.674     306.067     36.9524     126.067     
1 1 1 11 3  5  o 56.0894 2.87504 6.13047      0.776205  5.48212      0.873179  9.86694     224.828     68.8023     224.828     
1 1 1 11 3  6  o 166.4   2.33899 49.4685      2.01768   52.109       2.01626   144.841     32.0579     33.5921     212.058     
1 1 1 11 3  7  o 236.881 2.39955 104.143      2.953     101.695      2.93963   220.389     109.854     34.6428     289.854     
1 1 1 11 3  8  f 344.898 2.61055 217.156      4.66531   219.281      4.66896   391.093     330.903     0           0           
1 1 1 11 3  9  o 420.712 2.81185 325.763      6.13648   323.778      6.12768   485.286     330.548     112.053     330.548     
1 1 1 11 3  10 o 220.931 2.47373 87.8354      2.92403   91.2665      2.73425   110.967     52.395      222.753     232.395     
1 1 1 11 3  11 o 217.967 2.47376 86.9616      2.89219   87.3654      2.69377   218.994     30.8625     5.918       30.8625     
1 1 1 11 3  12 o 301.806 2.7723  165.908      4.67803   168.453      3.96059   395.669     348.867     187.46      348.867     
1 1 1 11 3  13 o 145.751 2.43501 40.3172      1.90954   37.6665      1.77033   121.759     41.3399     35.5049     221.34      
1 1 1 11 3  14 o 242.691 2.86088 109.42       3.60803   106.877      3.58982   231.891     34.4668     22.4491     214.467     
1 1 1 11 3  15 o 37.801  3.66196 2.54279      0.652035  2.81271      0.745572  29.1468     116.884     94.8099     116.884     
1 1 1 11 3  16 o 106.769 2.73122 20.0523      1.44414   21.8923      1.57477   73.2456     37.8723     55.1492     217.872     
1 1 1 11 3  17 o 113.786 2.49394 22.6134      1.40834   25.0074      1.53089   98.535      271.312     20.5822     91.312      
1 1 1 11 3  18 o 85.9951 2.32692 14.2838      1.04228   12.926       1.02714   36.1043     9.87228     92.7339     189.872     
1 1 1 11 3  19 o 455.583 2.76319 382.755      6.52679   380.026      6.524     544.62      214.559     169.168     214.559     
1 1 1 11 3  20 o 124.281 2.24456 29.157       1.45113   27.5943      1.43906   80.118      196.057     84.602      16.0567     
1 1 1 11 3  21 o 99.495  2.29788 17.3237      1.17334   19.0976      1.19242   81.9917     312.908     27.0617     132.908     
1 1 1 11 3  22 o 32.215  3.61862 1.97101      0.585388  1.94702      0.582781  5.56186     171.952     47.2633     171.952     
1 1 1 11 3  23 o 95.309  2.49081 16.9794      1.2289    16.4554      1.22778   72.3348     108.777     37.1535     288.777     
1 1 1 11 3  24 o 9.62057 3.2131  -0.64952     0.412394  -0.353747    0.431585  9.01901     232.907     19.0527     232.907     
1 1 1 11 3  25 o 172.924 2.26593 54.8302      2.03211   55.0448      2.03009   142.458     138.457     55.128      318.457     
1 1 1 11 3  26 f 79.3265 2.44779 11.6437      1.00576   11.5341      1.00243   91.1051     46.1457     0           0           
1 1 1 11 3  27 o 140.177 2.28663 35.0257      1.66196   37.2156      1.65985   144.16      186.044     16.3761     186.044     
1 1 1 11 3  28 o 252.178 2.43698 121.142      3.30335   112.843      3.06881   266.434     49.1072     38.9386     49.1072     
1 1 1 11 3  29 o 100.027 2.39168 17.668       1.23735   19.1991      1.23763   101.475     41.9258     14.3457     41.9259     
1 1 1 11 3  30 o 139.826 2.32036 35.573       1.68494   36.3785      1.67843   140.343     115.047     12.5858     115.047     
1 1 1 11 3  31 o 106.026 2.38521 21.5954      1.31781   19.8693      1.29962   109.679     197.615     20.0032     197.615     
1 1 1 11 3  32 o 49.5714 2.86922 4.47389      0.732677  4.66805      0.728573  46.6495     128.507     14.9671     128.507     
1 1 1 11 3  33 o 87.8767 2.5488  14.5836      1.20909   13.9939      1.10747   73.264      279.929     19.1918     99.9288     
1 1 1 11 3  34 o 134.482 2.74633 33.2597      1.92337   33.8124      1.9012    147.966     125.246     39.8177     125.246     
1 1 1 11 3  35 o 70.5607 2.73944 9.79473      1.01217   8.75504      0.983061  56.4902     86.3998     18.7041     266.4       
1 1 1 11 3  36 o 65.3101 2.79614 7.6371       0.940547  8.30185      0.942538  79.4029     283.051     40.7073     283.051     
1 1 1 11 3  37 o 65.4171 2.65696 7.41647      0.890961  8.59703      0.900086  71.9994     137.019     24.6335     137.019     
1 1 1 11 3  38 o 30.4872 3.7523  1.4725       0.564382  2.18567      0.568524  23.4088     197.143     2.95144     17.143      
1 1 1 11 3  39 o 12.6681 3.79061 0.317215     0.474347  -0.460458    0.448916  9.70822     269.053     36.285      269.053     
1 1 1 11 3  40 o 22.2939 4.38191 1.7372       0.629135  0.170541     0.585664  8.0724      80.3283     20.4897     260.328     
1 1 1 11 3  41 o 64.5262 3.33185 9.03313      1.18447   7.0493       1.02991   65.2436     204.599     12.6465     204.599     
1 1 1 11 3  42 o 28.0741 4.3656  1.66922      0.641971  1.56031      0.594119  18.6542     153.515     11.2422     333.515     
1 1 1 11 3  43 o 58.2341 3.00387 6.02248      0.918413  7.03094      0.872825  52.9714     166.112     0.610963    166.111     
1 1 1 11 3  44 o 12.194  3.80636 0.0967391    0.487625  -0.295995    0.469653  0.11933     331.067     15.8048     331.067     
1 1 1 11 3  45 o 27.6554 4.36291 1.46799      0.616482  1.75738      0.604092  21.1635     234.498     4.24761     54.4981     
1 1 1 11 3  46 o 15.8115 4.31253 0.809041     0.57421   -0.258377    0.538932  6.39141     310.402     9.34815     130.402     
1 1 1 11 3  47 o 70.5885 3.02806 10.3357      1.10101   9.23541      1.10131   82.9479     171.291     41.0224     171.291     
1 1 1 11 3  48 o 13.2877 4.08582 0.109368     0.530242  0.00917496   0.520496  4.68924     88.6956     1.71637     268.696     
1 1 1 11 3  49 o 22.6998 4.7535  1.03561      0.597234  1.35368      0.608407  18.6306     59.422      1.4056      59.422      
1 1 1 11 3  50 o 13.4659 4.15934 -0.282689    0.553092  0.371818     0.579764  6.37853     353.246     3.09379     173.246     
1 1 1 11 3  51 o 29.4112 4.57317 1.25532      0.680699  2.96042      0.723188  27.0755     351.462     5.96127     351.462     
1 1 1 11 3  52 o 18.6013 4.84066 1.1962       0.654933  0.478673     0.619735  12.2812     212.871     5.64718     212.871     
1 1 1 11 3  53 o 11.8633 3.93594 -0.163914    0.614598  -0.349916    0.611988  1.96759     245.111     9.32263     65.1108     
1 1 1 11 3  54 o 19.5305 5.06407 1.7215       0.765624  0.328351     0.714323  14.8558     175.455     6.58008     175.455     
1 1 1 11 3  55 o 12.8561 4.14275 0.475586     0.65356   -0.601295    0.617305  1.20442     179.785     0.569271    359.785     
1 1 1 11 3  56 o 10.7628 3.63947 -0.573167    0.569724  -0.204314    0.581054  0.199473    126.885     2.79154     306.885     
1 1 1 11 3  57 o 12.7196 4.13774 0.514718     0.661626  -0.843405    0.682726  2.93819     93.5499     4.83197     273.55      
1 1 1 11 3  58 o 12.4801 4.20589 0.28558      0.828428  -0.504673    0.636202  3.30062     30.8864     5.13226     210.886     
1 1 1 11 3  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 4  0  o 47.5175 2.88325 4.23069      0.697662  4.23069      0.697662  9.22716     90          35.8499     90          
1 1 1 11 4  1  o 137.806 2.26893 34.8998      1.67555   34.75        1.5643    154.082     346.714     89.7995     346.714     
1 1 1 11 4  2  o 302.898 2.51462 167.018      3.94478   169.532      3.95152   387.26      80.0066     164.141     80.0066     
1 1 1 11 4  3  o 216.57  2.37926 85.1943      2.67468   86.846       2.66702   187.976     45.9969     57.0614     225.997     
1 1 1 11 4  4  o 158.092 2.41975 45.8645      2.05598   45.813       1.90721   191.192     348.025     97.2979     348.025     
1 1 1 11 4  5  o 150.506 2.53244 43.0808      2.13865   40.0454      1.80903   111.054     133.428     68.1097     313.428     
1 1 1 11 4  6  o 300.647 2.51553 164.29       3.91375   167.315      3.92666   350.12      56.9457     93.3247     56.9457     
1 1 1 11 4  7  o 110.779 2.37586 21.5605      1.36183   23.5204      1.36163   97.1636     274.628     36.0716     274.628     
1 1 1 11 4  8  o 35.8736 3.41586 2.83909      0.598848  2.00822      0.61818   28.8942     111.481     75.2793     111.481     
1 1 1 11 4  9  o 387.615 2.92121 283.627      5.1465    267.962      6.47509   436.775     340.668     85.2072     340.668     
1 1 1 11 4  10 o 201.548 2.47038 76.649       2.48721   72.4331      2.66495   159.579     310.2       80.8577     130.2       
1 1 1 11 4  11 o 123.657 2.54536 29.2448      1.62988   26.9426      1.62773   118.297     68.7412     19.8481     68.7412     
1 1 1 11 4  12 o 79.464  2.92994 12.3213      1.22058   10.9479      1.1835    34.749      20.2237     51.4032     200.224     
1 1 1 11 4  13 o 145.185 2.7567  41.4668      2.08923   36.0759      2.05115   151.996     22.6364     30.2533     22.6364     
1 1 1 11 4  14 o 96.7752 2.61007 15.133       1.29294   19.437       1.30694   33.7812     231.758     112.927     51.7582     
1 1 1 11 4  15 o 192.18  2.3639  66.269       2.35946   69.3259      2.34914   208.836     325.129     37.9312     325.129     
1 1 1 11 4  16 o 45.5237 3.02816 3.98519      0.713761  3.70076      0.6983    9.18531     182.821     82.8505     182.821     
1 1 1 11 4  17 o 168.8   2.36249 52.6596      2.07637   51.9637      2.05795   125.448     195.035     85.624      15.0345     
1 1 1 11 4  18 o 106.865 2.25321 20.7558      1.25081   21.2126      1.24248   65.2647     359.795     78.7326     179.795     
1 1 1 11 4  19 o 25.9646 3.91834 1.16604      0.511494  1.41634      0.511691  14.7141     230.093     51.6853     230.093     
1 1 1 11 4  20 o 59.6644 2.52492 6.50624      0.779252  6.62114      0.77531   50.3916     130.758     16.5726     130.758     
1 1 1 11 4  21 o 48.8221 2.72652 4.36389      0.686024  4.45404      0.682698  27.9697     204.377     1.96533     24.3767     
1 1 1 11 4  22 o 123.212 2.25597 28.6308      1.44828   27.1845      1.43067   85.7395     164.272     69.2396     344.272     
1 1 1 11 4  23 o 142.369 2.41688 37.6004      1.78636   36.891       1.78079   135.437     162.196     7.10526     342.196     
1 1 1 11 4  24 o 95.151  2.5183  16.9389      1.24033   16.3939      1.23922   78.7794     331.483     23.4225     151.483     
1 1 1 11 4  25 o 83.7291 2.52434 14.4961      1.06097   11.418       1.107     53.4679     151.072     51.7675     331.072     
1 1 1 11 4  26 o 81.581  2.42746 12.7713      1.03234   11.751       1.01541   96.7674     270.897     46.9165     270.897     
1 1 1 11 4  27 o 79.0817 2.47151 11.402       1.01892   11.644       1.00201   67.1445     63.262      13.5487     243.262     
1 1 1 11 4  28 o 69.6427 2.56425 9.28756      0.926915  8.61583      0.917413  63.2969     58.3971     0.555458    58.397      
1 1 1 11 4  29 o 66.491  2.58997 7.91581      0.890255  8.41484      0.887425  54.7452     159.188     10.0581     339.188     
1 1 1 11 4  30 o 41.5712 3.18278 2.58976      0.654615  3.93921      0.671454  20.3837     16.6099     2.63165     16.6099     
1 1 1 11 4  31 o 58.9538 2.66421 6.28315      0.807699  6.59137      0.811826  62.7425     157.046     33.9681     157.046     
1 1 1 11 4  32 o 82.6496 2.48164 12.5744      1.06532   12.6742      1.05614   93.6126     41.1522     35.0647     41.1522     
1 1 1 11 4  33 o 133.909 2.63833 32.3792      1.89437   33.9981      1.7578    117.943     203.489     19.9174     23.4889     
1 1 1 11 4  34 o 84.6409 3.13666 13.0344      1.36937   13.6945      1.37281   87.4793     55.4355     16.2014     55.4355     
1 1 1 11 4  35 o 89.0475 2.61073 14.7798      1.20674   14.6885      1.19819   95.285      170.847     23.9236     170.847     
1 1 1 11 4  36 o 70.9555 2.60104 9.04266      0.949664  9.72507      0.956381  80.2859     52.8672     30.4134     52.8672     
1 1 1 11 4  37 o 100.229 2.44522 17.8086      1.25959   19.6117      1.27586   94.9696     59.028      2.49901     59.028      
1 1 1 11 4  38 o 49.5211 2.91293 3.96984      0.727411  5.34675      0.742483  53.782      210.183     19.4671     210.183     
1 1 1 11 4  39 o 43.0486 3.12784 3.86879      0.698381  3.22545      0.67462   32.3267     99.1487     12.8565     279.149     
1 1 1 11 4  40 o 46.8843 3.44246 4.41232      0.796236  4.08891      0.847721  36.7623     192.392     11.3268     12.3921     
1 1 1 11 4  41 o 32.7301 5.30168 1.90454      0.89181   2.62688      0.877254  15.4059     351.361     27.1564     171.36      
1 1 1 11 4  42 f 39.9112 3.51513 3.3231       0.731527  2.91894      0.691086  30.5541     237.614     0           0           
1 1 1 11 4  43 o 21.1241 4.55649 0.867387     0.555811  0.972772     0.535024  11.4669     119.503     11.3922     299.503     
1 1 1 11 4  44 f 13.1531 3.9744  0.168905     0.492412  -0.0508364   0.472933  11.8689     197.727     0           0           
1 1 1 11 4  45 o 25.6579 4.28348 0.647764     0.595473  2.19044      0.614067  19.9277     152.517     2.54076     332.517     
1 1 1 11 4  46 o 34.2052 3.93857 2.34522      0.680481  2.48118      0.667227  29.2559     111.711     0.214434    291.711     
1 1 1 11 4  47 o 12.3376 3.94599 -0.134931    0.537216  -0.178131    0.543327  2.227       136.32      22.1801     136.32      
1 1 1 11 4  48 o 10.6405 3.5261  -0.12756     0.518187  -0.674384    0.466193  1.16091     333.807     8.04852     153.807     
1 1 1 11 4  49 o 13.1797 4.05371 0.331716     0.543642  -0.294367    0.526248  3.96746     108.06      9.96094     288.06      
1 1 1 11 4  50 o 29.3068 4.46084 2.33812      0.677034  1.64037      0.642814  21.2215     32.3602     6.76999     212.36      
1 1 1 11 4  51 o 23.3983 4.85741 1.06262      0.638727  1.67011      0.645373  21.0176     340.636     6.27495     340.636     
1 1 1 11 4  52 o 20.9371 5.10848 1.08698      0.703165  1.23796      0.651085  9.22509     245.367     14.404      65.3674     
1 1 1 11 4  53 o 15.8679 4.69209 0.857552     0.689738  0.101542     0.641451  8.73013     259.534     0.15135     79.534      
1 1 1 11 4  54 o 11.6604 3.84848 0.0607749    0.582614  -0.5137      0.580944  2.7322      270.871     4.2546      90.8713     
1 1 1 11 4  55 o 25.1142 5.1207  1.93685      0.71439   1.66026      0.695329  20.9805     175.365     4.49571     175.365     
1 1 1 11 4  56 o 15.4066 4.62005 0.318875     0.658354  0.71961      0.641491  5.98296     75.0284     5.50571     255.028     
1 1 1 11 4  57 o 16.9232 4.75242 1.46512      0.725713  -0.0507129   0.666104  9.21822     287.239     1.17058     287.239     
1 1 1 11 4  58 o 12.237  4.19945 -0.441664    0.75796   -0.337567    0.900126  2.91591     338.837     6.61202     158.837     
1 1 1 11 4  59 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 5  0  o 27.1171 4.82027 1.57921      0.58601   1.57921      0.58601   38.8592     90.0001     88.3719     90.0001     
1 1 1 11 5  1  o 115.365 2.38962 25.7425      1.32929   23.1538      1.50738   72.563      344.417     65.1053     164.417     
1 1 1 11 5  2  o 285.41  2.80354 150.271      3.42968   148.632      4.75186   292.308     255.353     7.94826     255.352     
1 1 1 11 5  3  o 360.853 2.75054 244.478      4.97174   233.38       5.30297   294.628     143.61      147.6       323.61      
1 1 1 11 5  4  o 126.591 2.45006 28.3721      1.53981   30.48        1.67307   112.29      52.7016     3.26545     232.701     
1 1 1 11 5  5  o 266.156 2.45448 132.295      3.39797   127.61       3.37419   238.172     45.0067     60.5861     225.007     
1 1 1 11 5  6  o 218.584 2.38146 90.6864      2.71044   84.6472      2.68461   204.547     338.417     25.8516     158.417     
1 1 1 11 5  7  o 405.435 2.68466 306.464      5.45473   296.788      5.81671   420.678     84.5594     15.1678     84.5594     
1 1 1 11 5  8  o 210.758 2.21515 84.3736      2.43019   78.6257      2.40829   245.329     350.973     78.3149     350.973     
1 1 1 11 5  9  o 55.0396 2.61047 5.37097      0.743469  5.80058      0.736258  48.3457     282.149     178.257     282.149     
1 1 1 11 5  10 o 410.397 2.99266 311.852      6.37917   306.587      6.35344   442.872     63.8156     51.8021     63.8156     
1 1 1 11 5  11 o 25.8473 4.29294 1.70418      0.587958  0.875157     0.564013  77.6053     123.853     176.568     123.853     
1 1 1 11 5  12 o 224.053 2.81449 94.5535      3.283     89.811       3.25354   183.479     17.5914     81.2754     197.591     
1 1 1 11 5  13 o 22.8157 4.71158 0.784066     0.610632  1.15449      0.587238  32.8308     122.404     75.038      122.404     
1 1 1 11 5  14 o 161.798 2.3679  47.369       1.98451   48.7354      1.98712   135.07      61.8547     48.3785     241.855     
1 1 1 11 5  15 o 132.646 2.29142 32.7088      1.63243   31.8845      1.51782   181.508     197.791     127.966     197.791     
1 1 1 11 5  16 o 122.878 2.38759 27.0783      1.52572   28.4133      1.5119    77.0976     54.6508     86.888      234.651     
1 1 1 11 5  17 o 280.912 2.50845 148.002      3.66906   141.877      3.63561   286.608     238.257     7.59757     238.256     
1 1 1 11 5  18 o 75.187  2.48    10.5972      0.926862  10.2155      0.997949  59.9581     150.161     18.2736     330.161     
1 1 1 11 5  19 o 82.8871 2.33892 12.856       1.0098    12.4209      0.995978  43.4709     188.436     71.1592     8.43607     
1 1 1 11 5  20 o 174.319 2.22537 58.2017      2.02422   53.4526      1.99583   169.733     66.8233     5.53495     246.823     
1 1 1 11 5  21 o 48.9654 2.74352 3.825        0.684739  5.09219      0.684668  6.89336     102.941     100.774     102.941     
1 1 1 11 5  22 o 99.7971 2.3066  17.3875      1.18682   19.2675      1.19439   92.1958     185.693     5.06343     5.69285     
1 1 1 11 5  23 o 28.4921 3.8646  0.90544      0.542702  2.29891      0.54967   3.9392      0.691796    27.8425     0.691797    
1 1 1 11 5  24 o 60.7906 2.65121 6.72941      0.855551  6.91336      0.805536  54.0418     15.4548     6.21408     15.4548     
1 1 1 11 5  25 o 104.515 2.5115  21.49        1.36682   18.7665      1.34701   117.365     338.293     36.9514     338.293     
1 1 1 11 5  26 o 250.543 2.44874 117.99       3.06974   112.857      3.28117   285.17      48.5171     78.4925     48.5171     
1 1 1 11 5  27 f 19.5837 3.84028 1.41588      0.526903  -0.247454    0.496242  14.4319     15.1317     0           0           
1 1 1 11 5  28 o 135.073 2.31588 33.1298      1.62222   33.9774      1.62055   140.906     273.295     22.4224     273.295     
1 1 1 11 5  29 o 65.6619 2.58618 7.91498      0.884032  8.01383      0.869309  69.0436     274.368     27.0702     274.368     
1 1 1 11 5  30 o 28.6689 3.92636 1.46751      0.566234  1.68734      0.55785   1.825       62.9389     9.18408     242.939     
1 1 1 11 5  31 o 78.9203 2.50005 10.8612      1.01985   12.172       1.01773   71.1273     76.2165     3.75484     256.217     
1 1 1 11 5  32 o 25.5339 4.00538 2.04286      0.559789  0.553123     0.532791  6.10734     111.716     13.3241     291.716     
1 1 1 11 5  33 o 23.5699 4.97623 1.23883      0.674732  0.898846     0.640924  4.22227     224.877     26.0803     44.8765     
1 1 1 11 5  34 o 21.1163 4.9366  0.85335      0.660122  0.785966     0.596513  4.83687     43.7234     8.04563     223.723     
1 1 1 11 5  35 o 92.2153 2.46101 14.3961      1.1579    17.2404      1.18559   99.0883     338.106     25.7138     338.106     
1 1 1 11 5  36 o 67.0084 2.61213 8.56434      0.904896  8.193        0.902395  73.9023     353.346     25.4159     353.346     
1 1 1 11 5  37 o 72.2317 2.58605 9.74683      0.970033  9.75546      0.960169  53.852      68.9551     26.2598     248.955     
1 1 1 11 5  38 o 26.1006 4.05975 0.84991      0.542273  1.91271      0.549218  20.907      263.95      6.23203     263.95      
1 1 1 11 5  39 o 25.0146 4.18422 0.898919     0.535233  1.6467       0.552015  20.2559     315.878     2.69965     315.878     
1 1 1 11 5  40 o 67.8091 3.12757 8.46977      1.01796   9.10992      1.16748   71.5285     115.648     19.0899     115.648     
1 1 1 11 5  41 o 41.6278 4.27822 3.29961      0.902639  3.64721      0.886203  40.7655     171.291     7.49313     171.291     
1 1 1 11 5  42 o 35.6964 3.76008 3.11907      0.709662  2.00114      0.628743  27.3302     201.388     8.43922     21.3883     
1 1 1 11 5  43 o 46.6648 3.12729 4.60535      0.755848  3.86433      0.735508  49.549      302.088     16.3041     302.088     
1 1 1 11 5  44 o 28.1638 4.21106 0.99994      0.599286  2.39078      0.614583  29.1592     327.444     12.948      327.444     
1 1 1 11 5  45 o 14.0236 4.15957 0.278556     0.540297  0.0364506    0.482604  2.95792     197.883     13.0753     17.8831     
1 1 1 11 5  46 o 29.5171 4.24574 2.34215      0.637308  1.39261      0.619651  23.2294     59.8375     3.37433     239.837     
1 1 1 11 5  47 o 23.5335 4.75655 1.04463      0.638541  1.43295      0.597608  15.6151     151.348     7.14975     331.348     
1 1 1 11 5  48 o 22.9152 4.81657 1.57508      0.637468  0.832285     0.63778   16.2127     161.885     4.55554     341.885     
1 1 1 11 5  49 o 20.1902 4.75293 0.985162     0.589746  0.904364     0.574855  17.6772     59.0705     7.11053     59.0705     
1 1 1 11 5  50 o 12.0956 3.89495 -0.282469    0.553547  0.0123863    0.530404  1.98405     240.786     12.5116     60.7857     
1 1 1 11 5  51 o 14.5165 4.30333 -0.0569115   0.569303  0.57547      0.565643  0.66375     164.89      23.4123     164.89      
1 1 1 11 5  52 o 10.6835 3.62301 -0.458257    0.609173  -0.535034    0.54068   0.55439     202.479     1.54102     22.4788     
1 1 1 11 5  53 o 10.5449 3.6015  -0.308122    0.60708   -0.900643    0.586111  1.10387     308.184     6.09452     128.184     
1 1 1 11 5  54 o 27.7025 4.95118 2.0437       0.71606   2.08856      0.706584  22.8337     301.319     2.01311     301.319     
1 1 1 11 5  55 o 19.4345 5.06294 1.14656      0.671395  1.07488      0.672886  11.4602     185.38      4.15221     5.38009     
1 1 1 11 5  56 o 20.839  4.53011 0.15216      0.647399  2.13925      0.686029  15.7489     208.801     4.80551     208.801     
1 1 1 11 5  57 f 9.28524 3.26926 -0.606132    0.641348  -1.32307     0.553177  4.07876     64.3669     0           0           
1 1 1 11 5  58 o 16.4804 4.94286 1.2889       0.766542  0.0726452    0.829172  9.4053      57.7124     1.79747     57.7124     
1 1 1 11 6  0  o 23.428  4.87246 1.23596      0.514175  1.23596      0.514175  15.4972     89.9999     34.0639     89.9999     
1 1 1 11 6  1  o 126.985 2.18678 28.0059      1.43001   31.2054      1.4452    45.2714     257.174     152.58      77.1741     
1 1 1 11 6  2  o 53.0457 2.61385 4.7694       0.708789  5.62326      0.716351  17.0455     335.399     85.2847     335.399     
1 1 1 11 6  3  o 28.9285 3.8185  1.33524      0.569292  1.85322      0.525732  30.256      148.902     70.5813     148.902     
1 1 1 11 6  4  o 80.5933 2.55654 11.1253      1.13293   12.7849      0.976579  22.0104     289.979     82.8978     109.979     
1 1 1 11 6  5  o 122.212 2.56107 27.301       1.7377    27.554       1.49301   99.8724     309.618     20.6056     129.618     
1 1 1 11 6  6  o 209.006 2.4566  80.2211      2.75939   80.0671      2.56003   188.007     18.6237     38.03       198.624     
1 1 1 11 6  7  o 141.177 2.63039 37.7088      1.86285   35.4848      1.97829   119.603     73.8274     26.2484     253.827     
1 1 1 11 6  8  o 372.852 3.01387 258.609      5.58138   251.877      6.05192   449.387     60.5225     144.572     60.5225     
1 1 1 11 6  9  o 187.828 2.51254 65.8584      2.45549   63.634       2.4368    184.119     232.459     0.0437318   232.442     
1 1 1 11 6  10 o 111.769 2.52946 22.5328      1.46757   23.3718      1.45906   53.5951     110.686     103.061     290.686     
1 1 1 11 6  11 f 215.419 2.54984 83.3995      2.84923   86.977       2.84425   225.523     311.302     0           0           
1 1 1 11 6  12 o 112.458 2.35627 23.8702      1.37325   22.6009      1.37015   97.8189     8.95538     12.401      188.955     
1 1 1 11 6  13 o 50.6936 2.65228 4.91028      0.704068  4.58174      0.679955  7.02189     185.189     88.7856     185.189     
1 1 1 11 6  14 o 196.478 2.38406 68.4736      2.42084   73.3031      2.43362   211.301     325.288     32.299      325.288     
1 1 1 11 6  15 o 124.912 2.39243 28.1082      1.5445    29.2332      1.55048   121.823     316.32      1.19498     316.319     
1 1 1 11 6  16 o 74.8569 2.7967  9.90854      1.07882   10.7499      1.08261   81.0345     191.113     37.4186     191.113     
1 1 1 11 6  17 o 166.107 2.48891 48.4897      2.21797   52.9156      2.05473   166.309     152.715     3.26126     152.715     
1 1 1 11 6  18 o 208.794 2.23586 78.5111      2.41792   81.602       2.42121   202.42      303.324     11.417      123.323     
1 1 1 11 6  19 o 39.555  2.97673 3.0336       0.605435  2.78879      0.595948  3.15513     241.211     51.0448     61.2111     
1 1 1 11 6  20 o 116.488 2.26146 24.1005      1.36114   25.7968      1.3663    127.113     280.815     31.0063     280.815     
1 1 1 11 6  21 o 58.5116 2.58309 6.89025      0.785197  5.76929      0.77027   37.6136     231.554     24.6578     51.5544     
1 1 1 11 6  22 f 165.609 2.2395  51.6298      1.93016   49.1451      1.91431   166.829     310.607     0           0           
1 1 1 11 6  23 o 99.0828 2.33089 18.1897      1.2003    17.9277      1.19068   61.6386     293.754     67.2521     113.754     
1 1 1 11 6  24 o 202.427 2.28859 75.6862      2.40536   74.8975      2.39745   254.112     259.469     112.129     259.469     
1 1 1 11 6  25 o 187.13  2.35991 64.6986      2.3707    64.0294      2.20536   210.496     82.0927     55.4706     82.0927     
1 1 1 11 6  26 o 67.4305 2.73436 8.83863      0.953493  7.96374      0.948203  70.0946     146.933     21.6301     146.933     
1 1 1 11 6  27 o 167.866 2.40192 55.1446      2.0246    48.6149      2.14024   202.477     6.49009     80.7914     6.49009     
1 1 1 11 6  28 f 111.434 2.34704 22.7041      1.35526   23.0234      1.35307   75.4224     301.645     0           0           
1 1 1 11 6  29 o 57.4361 2.71252 5.17334      0.78603   7.12016      0.80658   37.7253     233.172     25.1298     53.1719     
1 1 1 11 6  30 f 120.102 2.3495  26.3468      1.46157   26.8343      1.46094   112.865     45.7539     0           0           
1 1 1 11 6  31 o 97.3046 2.40384 17.3181      1.20974   17.6467      1.2114    111.596     232.883     41.3757     232.883     
1 1 1 11 6  32 o 121.121 2.49972 27.4435      1.56456   26.8108      1.5707    148.428     88.148      67.4771     88.148      
1 1 1 11 6  33 o 84.7648 3.09429 12.8339      1.35349   13.9671      1.35457   118.005     329.784     80.5098     329.784     
1 1 1 11 6  34 o 90.7017 2.87226 14.5601      1.34295   16.1144      1.34859   67.7203     183.684     35.3123     3.68409     
1 1 1 11 6  35 o 16.6199 4.27852 0.35036      0.49159   0.519334     0.469552  8.79669     160.084     39.6183     160.084     
1 1 1 11 6  36 o 53.3008 2.77597 5.84407      0.772575  4.83825      0.747254  38.0804     11.8437     21.0775     191.844     
1 1 1 11 6  37 o 55.263  2.76304 6.14954      0.792114  5.35244      0.778452  62.0327     47.1524     24.8363     47.1524     
1 1 1 11 6  38 o 12.0075 3.70814 -0.121985    0.441453  0.000175548  0.433587  5.55861     119.629     24.1585     119.629     
1 1 1 11 6  39 o 45.2808 3.06559 3.88329      0.713875  3.95943      0.7075    43.5728     358.16      6.03525     358.16      
1 1 1 11 6  40 o 46.5823 3.77006 4.33511      0.912291  4.16541      0.875688  56.7223     265.506     31.2786     265.506     
1 1 1 11 6  41 o 22.3335 4.56622 0.785314     0.561142  1.26019      0.574019  15.9925     207.644     3.95098     27.6437     
1 1 1 11 6  42 o 15.9193 4.4558  0.285399     0.544063  0.400343     0.548476  3.76832     86.6494     0.662412    86.6494     
1 1 1 11 6  43 o 58.7133 2.96957 6.5688       0.932823  6.74278      0.859555  69.8992     272.039     35.0953     272.039     
1 1 1 11 6  44 o 10.9922 3.55776 -0.499454    0.474685  -0.0723855   0.455041  0.344821    232.349     12.0555     232.349     
1 1 1 11 6  45 o 18.8182 4.32826 1.16475      0.543841  0.183236     0.52826   11.0605     282.488     6.21648     102.488     
1 1 1 11 6  46 o 12.0618 3.77914 0.173277     0.494228  -0.43624     0.476504  2.36855     74.4712     7.58981     254.471     
1 1 1 11 6  47 f 31.1649 4.2076  1.58         0.648409  2.6443       0.653259  28.3106     180.869     0           0           
1 1 1 11 6  48 o 18.0196 4.84464 0.634976     0.626057  0.697496     0.624875  10.5287     189.206     6.1321      9.20567     
1 1 1 11 6  49 o 32.213  4.49568 2.55673      0.708238  2.17169      0.73772   27.3931     64.1836     0.55656     64.1833     
1 1 1 11 6  50 o 12.7048 3.90959 0.463285     0.537282  -0.628315    0.515205  3.64006     160.746     9.39597     340.746     
1 1 1 11 6  51 o 36.6134 4.45785 1.96465      0.786562  4.4915       0.775562  37.3522     23.5785     14.2595     23.5785     
1 1 1 11 6  52 f 19.1887 5.09096 0.537983     0.717913  1.3556       0.718716  10.9333     115.071     0           0           
1 1 1 11 6  53 o 18.617  5.06063 0.937258     0.689996  0.953845     0.684377  11.3213     291.447     4.11268     111.447     
1 1 1 11 6  54 o 13.6013 4.23591 -0.0870487   0.614644  0.460314     0.580173  4.6632      18.2546     5.29584     198.255     
1 1 1 11 6  55 o 15.1575 4.5133  0.883862     0.655063  0.0325712    0.602011  5.90924     229.08      3.20315     49.0796     
1 1 1 11 6  56 o 12.5297 4.07927 0.352225     0.630772  -0.491751    0.631673  2.39867     85.1957     3.62679     265.196     
1 1 1 11 6  57 o 10.121  3.49598 -0.36956     0.62875   -0.832288    0.566508  0.159421    211.296     9.12017     211.296     
1 1 1 11 6  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 7  0  o 312.991 2.36988 179.689      3.84395   179.689      3.84395   370.655     270         98.7452     270         
1 1 1 11 7  1  o 124.618 2.18944 28.6545      1.41518   28.3176      1.41342   63.1957     34.6565     108.648     214.657     
1 1 1 11 7  2  o 27.4042 3.73407 0.973931     0.508131  1.9375       0.507344  8.94674     265.1       20.5875     265.1       
1 1 1 11 7  3  o 188.762 2.27043 65.6026      2.29164   65.1261      2.14966   181.174     211.486     6.67331     31.4863     
1 1 1 11 7  4  o 386.809 2.70517 274.578      5.43721   274.612      5.41082   534.945     250.478     290.052     250.478     
1 1 1 11 7  5  o 262.834 2.73395 126.158      3.89264   127.431      3.54709   279.123     102.19      32.4728     102.19      
1 1 1 11 7  6  o 143.897 2.72176 37.838       2.03515   38.2293      2.0214    71.5165     213.301     136.819     33.301      
1 1 1 11 7  7  o 63.3279 3.02754 7.48149      1.0006    7.31476      0.975414  6.65807     275.026     8.16497     95.026      
1 1 1 11 7  8  o 258.166 2.73242 120.862      3.48634   123.859      3.82279   305.312     218.642     95.7606     218.642     
1 1 1 11 7  9  o 251.601 2.59015 119.093      3.38947   113.349      3.36566   268.691     271.049     34.2356     271.049     
1 1 1 11 7  10 o 162.69  2.41257 47.433       2.09477   49.7413      1.96852   176.956     194.147     38.7702     194.147     
1 1 1 11 7  11 o 136.643 2.36121 34.202       1.7763    34.3633      1.5593    176.555     114.113     104.187     114.113     
1 1 1 11 7  12 o 124.637 2.28345 28.105       1.51676   28.944       1.42943   133.881     82.3806     31.9274     82.3806     
1 1 1 11 7  13 o 155.526 2.33801 44.2393      1.88343   44.569       1.88629   125.132     189.512     57.4824     9.51244     
1 1 1 11 7  14 o 273.517 2.40416 136.867      3.30265   137.859      3.51208   278.516     242.278     6.92174     242.278     
1 1 1 11 7  15 o 130.574 2.49454 30.0098      1.49189   32.6709      1.87481   133.616     181.926     11.7445     181.926     
1 1 1 11 7  16 o 112.777 2.72536 23.681       1.53793   23.1198      1.64069   129.556     310.817     43.7402     310.817     
1 1 1 11 7  17 o 148.821 2.70348 40.9238      2.00981   40.5152      2.15582   195.586     224.278     102.483     224.278     
1 1 1 11 7  18 o 142.247 2.30886 36.8148      1.76569   37.514       1.63534   125.06      125.121     29.212      305.121     
1 1 1 11 7  19 o 28.7854 3.61852 1.3102       0.510924  1.85538      0.524553  17.3916     92.4319     69.3552     92.4319     
1 1 1 11 7  20 o 175.411 2.24109 56.6717      2.04135   56.3602      2.03412   183.246     350.776     21.7894     350.776     
1 1 1 11 7  21 o 48.1077 2.73679 3.9737       0.677238  4.60464      0.672703  23.3444     75.7653     5.00366     75.7653     
1 1 1 11 7  22 o 182.638 2.25617 62.1261      2.14351   60.4385      2.12828   208.102     338.295     58.6437     338.295     
1 1 1 11 7  23 o 25.4427 4.033   0.905137     0.520007  1.6013       0.528487  1.0592      164.142     6.87133     164.142     
1 1 1 11 7  24 o 30.8748 3.69966 2.33089      0.571482  1.34505      0.553016  1.72794     153.6       33.633      333.6       
1 1 1 11 7  25 f 38.9753 3.1289  2.78401      0.625751  2.88567      0.615705  46.4812     5.57663     0           0           
1 1 1 11 7  26 o 197.922 2.38563 71.8781      2.53394   72.2078      2.35746   200.401     103.662     15.7036     103.662     
1 1 1 11 7  27 o 106.922 2.53295 21.4409      1.39874   20.6928      1.40458   81.3687     166.742     41.0092     346.742     
1 1 1 11 7  28 o 207.324 2.41091 77.218       2.48851   81.0611      2.69316   214.987     58.8079     29.3577     58.8079     
1 1 1 11 7  29 o 94.876  2.39928 15.6772      1.17479   17.552       1.17865   50.9454     215.919     77.7121     35.9188     
1 1 1 11 7  30 o 75.6811 2.51415 10.5847      0.98809   10.5915      0.978969  77.0995     75.2507     15.7045     75.2507     
1 1 1 11 7  31 o 46.4695 3.17169 3.8559       0.775914  4.23221      0.728003  39.7495     104.773     0.806024    284.773     
1 1 1 11 7  32 f 40.66   3.25373 2.63711      0.661169  3.62963      0.671552  56.494      34.8831     0           0           
1 1 1 11 7  33 o 55.2335 3.18511 5.55121      0.906969  5.8951       0.900081  52.1316     84.7764     4.08133     84.7764     
1 1 1 11 7  34 o 57.9933 3.221   4.9809       0.931293  7.82402      0.953052  42.1572     8.403       22.2216     188.403     
1 1 1 11 7  35 o 24.7763 4.15786 1.44677      0.536954  0.988448     0.522023  13.497      338.091     3.28783     158.091     
1 1 1 11 7  36 o 83.7247 2.50112 13.5196      1.08985   12.6473      1.0757    74.9879     154.966     5.5282      334.966     
1 1 1 11 7  37 o 88.0473 2.49449 14.1136      1.13774   14.8929      1.13385   91.7275     52.1667     20.426      52.1667     
1 1 1 11 7  38 o 10.9028 3.47294 -0.0897492   0.429945  -0.273803    0.39876   8.46024     237.754     29.7277     237.754     
1 1 1 11 7  39 f 22.8553 4.54785 1.25682      0.573238  0.878352     0.559875  21.0768     61.8464     0           0           
1 1 1 11 7  40 o 43.1446 3.73175 4.40669      0.807185  2.96145      0.796439  46.1664     338.134     15.7116     338.134     
1 1 1 11 7  41 o 38.9132 3.56254 3.21604      0.702441  2.74473      0.696935  29.9473     0.75371     9.33794     180.754     
1 1 1 11 7  42 o 24.1942 4.50623 1.40733      0.561843  1.04506      0.594857  19.8687     159.858     13.6985     159.858     
1 1 1 11 7  43 o 13.6627 4.04804 -0.441423    0.528383  0.432955     0.517535  2.10712     345.541     14.285      165.541     
1 1 1 11 7  44 o 18.5201 4.52182 0.562143     0.534954  0.800062     0.528171  12.4043     105.946     0.650152    285.946     
1 1 1 11 7  45 o 24.4931 4.12097 0.360042     0.584287  2.21153      0.598958  21.4409     323.523     3.95081     323.523     
1 1 1 11 7  46 o 21.9118 4.67731 1.0007       0.576408  1.12472      0.576426  16.917      310.696     0.289054    130.696     
1 1 1 11 7  47 o 45.9971 3.25379 4.15474      0.769497  4.39058      0.760245  47.4378     135.223     15.2165     135.223     
1 1 1 11 7  48 o 13.4205 4.12159 0.280438     0.548455  -0.134467    0.533518  5.99205     95.2492     1.87208     275.249     
1 1 1 11 7  49 o 18.4486 4.61577 0.133516     0.596429  1.28409      0.62967   15.0846     68.0017     5.39493     68.0017     
1 1 1 11 7  50 o 32.4638 4.25647 2.53332      0.699315  2.28726      0.680373  33.6991     113.791     14.3591     113.791     
1 1 1 11 7  51 o 41.3766 4.40789 4.20847      0.943756  3.84585      0.888687  31.3796     340.799     6.91779     160.799     
1 1 1 11 7  52 o 26.2159 4.53328 2.77146      0.701122  0.814492     0.67203   21.3611     63.7327     1.29203     63.7328     
1 1 1 11 7  53 o 12.2573 3.99955 -0.332839    0.591147  0.126301     0.604664  3.18721     264.592     2.43715     84.5917     
1 1 1 11 7  54 o 12.4222 4.01274 0.0911604    0.598061  -0.0573658   0.552845  2.59454     291.565     6.12535     111.565     
1 1 1 11 7  55 o 14.345  4.39423 0.640077     0.629508  0.0429274    0.601213  1.15        75.2216     0.220335    255.222     
1 1 1 11 7  56 o 17.0122 5.00653 0.939902     0.708732  0.728862     0.763676  9.17286     285.216     2.03661     105.216     
1 1 1 11 7  57 o 12.9261 4.23026 0.346878     0.672008  -0.276424    0.693172  3.82148     238.506     6.36717     58.5056     
1 1 1 11 7  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 8  0  o 19.57   5.29367 0.955492     0.506604  0.955492     0.506604  56.2679     90          121.564     90          
1 1 1 11 8  1  o 117.583 2.47129 25.034       1.50418   25.7568      1.50475   59.7917     125.409     102.722     305.409     
1 1 1 11 8  2  o 201.594 2.50251 76.151       2.61698   73.0321      2.61241   209.964     319.839     22.9792     319.839     
1 1 1 11 8  3  o 130.353 2.46062 31.3187      1.66123   31.092       1.66105   110.3       89.2482     24.6754     269.248     
1 1 1 11 8  4  o 133.641 2.46359 33.0108      1.70677   32.5882      1.70354   113.307     263.852     26.7481     83.8519     
1 1 1 11 8  5  o 65.1568 2.68998 9.08669      0.911381  6.64932      0.88448   22.25       270.355     33.6545     90.3552     
1 1 1 11 8  6  o 277.518 2.89001 140.421      4.15851   142.456      4.15609   278.989     71.9375     0.494271    71.9364     
1 1 1 11 8  7  o 199.06  2.65686 73.5227      2.64085   71.983       2.83627   255.302     338.364     122.123     338.364     
1 1 1 11 8  8  f 52.7111 2.95075 4.75355      0.794265  5.53274      0.801797  48.8058     343.435     0           0           
1 1 1 11 8  9  o 114.748 2.3515  25.1333      1.39796   23.2625      1.39498   72.035      4.95757     76.3119     184.958     
1 1 1 11 8  10 o 99.4403 2.25456 17.7887      1.16248   18.5511      1.15829   71.0702     0.784595    45.0095     180.785     
1 1 1 11 8  11 o 113.341 2.22241 23.3903      1.30434   23.8041      1.30446   31.7113     173.043     158.959     353.043     
1 1 1 11 8  12 o 98.2658 2.25565 17.3757      1.14433   18.1166      1.15029   72.0624     200.496     44.7242     20.496      
1 1 1 11 8  13 o 255.378 2.29224 120.736      3.03942   118.74       3.02933   230.09      14.4284     52.6283     194.428     
1 1 1 11 8  14 o 63.621  2.44576 7.01833      0.796965  7.90622      0.808541  0.420854    172.924     120.39      172.924     
1 1 1 11 8  15 o 154.906 2.21448 44.8072      1.78594   43.3164      1.77023   148.173     326.608     9.27625     146.608     
1 1 1 11 8  16 o 159.757 2.35869 47.9452      1.95492   45.8216      1.95093   169.676     77.0427     25.1223     77.0427     
1 1 1 11 8  17 o 271.34  2.71132 137.983      3.81275   132.73       3.81319   279.684     39.847      18.7364     39.847      
1 1 1 11 8  18 o 82.6768 2.84184 12.1176      1.31555   13.0926      1.09167   48.561      38.9609     58.9732     218.961     
1 1 1 11 8  19 o 165.499 2.48803 49.9935      2.20423   50.6809      2.06116   117.532     206.783     90.813      26.7826     
1 1 1 11 8  20 o 64.9912 2.629   7.41493      0.877364  8.17606      0.885317  47.7152     302.713     19.9059     122.713     
1 1 1 11 8  21 o 95.0439 2.39546 16.1873      1.14405   17.0611      1.21271   78.4593     191.977     23.6173     11.9765     
1 1 1 11 8  22 o 54.0437 2.7436  6.0789       0.746076  4.76136      0.768366  36.7069     329.854     18.6672     149.854     
1 1 1 11 8  23 o 72.1629 2.51635 10.2973      0.926173  8.92351      0.945263  77.0302     133.426     25.6665     133.426     
1 1 1 11 8  24 o 180.655 2.34123 58.7968      2.13451   61.2062      2.25046   219.865     319.928     88.9964     319.928     
1 1 1 11 8  25 o 69.677  2.51187 7.89784      0.895411  10.078       0.903504  53.8932     7.39995     19.7411     187.4       
1 1 1 11 8  26 o 40.4975 3.08858 3.10864      0.643301  3.00995      0.632932  20.0774     290.603     18.6525     110.603     
1 1 1 11 8  27 o 55.3343 2.84118 5.87978      0.850055  5.47392      0.768772  48.4976     102.439     7.49444     102.439     
1 1 1 11 8  28 o 115.773 2.52412 24.7742      1.50819   24.6716      1.51771   128.58      340.037     39.2433     340.037     
1 1 1 11 8  29 o 28.0073 4.09582 2.05953      0.561925  1.01414      0.592233  2.43935     258.326     2.99913     78.3256     
1 1 1 11 8  30 o 19.5269 4.47662 0.647431     0.51831   0.743152     0.518441  16.1885     125.743     59.3178     125.743     
1 1 1 11 8  31 o 79.6209 2.62652 11.2745      1.08152   12.2463      1.07897   66.313      47.0736     17.064      227.074     
1 1 1 11 8  32 f 30.669  3.79194 1.65684      0.602229  1.97095      0.553369  47.5263     67.8243     0           0           
1 1 1 11 8  33 o 66.5317 3.01842 8.25679      1.046     8.3095       1.02475   68.154      100.993     14.2291     100.993     
1 1 1 11 8  34 o 65.9274 2.83311 8.62251      0.899822  7.65512      1.0134    62.3075     300.015     3.6482      300.015     
1 1 1 11 8  35 o 60.6833 2.66358 7.587        0.843661  6.23205      0.81951   73.8001     280.195     38.9052     280.195     
1 1 1 11 8  36 o 77.0876 2.52959 11.466       1.01739   10.7748      0.998445  75.9477     35.5917     9.62049     35.5917     
1 1 1 11 8  37 o 28.8777 3.91325 1.4552       0.566825  1.86051      0.559906  18.6739     345.725     11.7233     165.725     
1 1 1 11 8  38 o 49.9314 3.03479 4.55171      0.776151  4.97429      0.778276  38.5368     266.596     13.5276     86.5961     
1 1 1 11 8  39 o 57.3091 3.20214 5.95692      0.950662  6.65856      0.932376  57.3593     267.965     10.7793     267.965     
1 1 1 11 8  40 o 79.5438 3.05303 11.4129      1.25008   12.8073      1.25491   93.9071     264.811     43.1073     264.811     
1 1 1 11 8  41 o 22.3987 4.44506 0.569165     0.56375   1.49422      0.576643  13.5174     178.655     9.70659     358.655     
1 1 1 11 8  42 o 48.7127 3.02845 5.06482      0.774066  4.15937      0.736826  45.554      296.214     4.42636     296.214     
1 1 1 11 8  43 o 56.0724 3.06481 5.43545      0.842045  6.84391      0.924094  55.7501     140.731     11.8135     140.731     
1 1 1 11 8  44 o 20.6729 4.66348 0.927371     0.589317  0.892713     0.538042  15.5068     301.609     0.45793     301.609     
1 1 1 11 8  45 o 25.1583 4.62658 1.6018       0.622093  1.18216      0.603839  13.6673     205.677     14.6835     25.677      
1 1 1 11 8  46 o 19.3312 4.4452  1.26156      0.578579  0.290475     0.530805  13.7477     124.365     1.52302     304.365     
1 1 1 11 8  47 o 17.6115 4.58511 0.63724      0.555486  0.645995     0.54627   9.44296     220.999     7.87483     40.9986     
1 1 1 11 8  48 o 12.0448 3.84505 -0.106345    0.501828  -0.0688252   0.518077  4.16025     224.756     3.25922     44.7557     
1 1 1 11 8  49 o 26.0123 4.81048 1.75631      0.691357  1.52813      0.620795  26.1477     136.7       11.836      136.7       
1 1 1 11 8  50 o 12.3186 3.92445 0.313064     0.560025  -0.654523    0.560663  3.07095     131.366     2.17028     311.366     
1 1 1 11 8  51 o 22.7185 5.41866 1.58988      0.733707  1.32171      0.79696   15.5574     354.927     3.72411     174.927     
1 1 1 11 8  52 o 10.2817 3.46929 -0.0293605   0.546806  -0.943489    0.4926    0.946188    234.266     4.41716     54.2661     
1 1 1 11 8  53 o 30.3443 5.22846 2.29727      0.778713  2.84348      0.853621  31.7629     214.6       17.6443     214.6       
1 1 1 11 8  54 o 14.148  4.36508 -0.685875    0.653858  0.888791     0.684062  4.41041     357.431     6.01646     177.431     
1 1 1 11 8  55 o 19.2954 4.88609 1.52055      0.672184  0.624445     0.635671  12.001      248.828     4.74021     248.828     
1 1 1 11 8  56 o 12.6339 4.18003 0.181737     0.739579  -0.182829    0.613447  3.23384     57.1096     4.57776     237.11      
1 1 1 11 8  57 f 12.7486 4.11084 -0.0914783   0.613883  0.3057       0.601711  2.15969     335.419     0           0           
1 1 1 11 9  0  o 76.5993 2.57012 10.8349      1.01524   10.8349      1.01524   62.5716     270         9.29601     90          
1 1 1 11 9  1  o 48.7015 2.88982 4.90784      0.724863  3.89543      0.71387   43.3347     274.691     165.594     274.691     
1 1 1 11 9  2  o 75.8414 2.57282 10.8324      1.01029   10.3387      1.00638   40.6759     49.1947     45.2379     229.195     
1 1 1 11 9  3  o 369.551 2.85391 253.125      5.47432   248.553      5.45936   416.686     308.097     87.647      308.097     
1 1 1 11 9  4  o 13.9112 3.80789 0.00584938   0.399606  0.382446     0.407067  9.62482     342.854     20.3321     342.854     
1 1 1 11 9  5  o 123.545 2.31869 28.0196      1.47889   28.0497      1.48827   127.542     281.353     22.4351     281.353     
1 1 1 11 9  6  o 67.1209 2.66321 7.60768      0.944915  9.02131      0.889744  14.5493     80.0141     152.03      80.0141     
1 1 1 11 9  7  o 308.186 2.63815 175.029      4.36607   173.823      4.05824   309.38      83.3806     1.57643     263.381     
1 1 1 11 9  8  o 58.8467 2.656   6.65604      0.813603  6.12141      0.797778  23.5652     216.948     155.012     216.948     
1 1 1 11 9  9  o 181.838 2.28369 62.1131      2.08219   59.2988      2.21677   189.845     229.826     18.6637     229.826     
1 1 1 11 9  10 o 156.172 2.19321 43.4942      1.77342   46.0625      1.77649   221.368     335.418     139.894     335.418     
1 1 1 11 9  11 f 23.2965 3.84163 0.844678     0.46488   1.23849      0.451878  66.7183     355.386     0           0           
1 1 1 11 9  12 o 128.642 2.2999  31.579       1.48361   29.2376      1.57541   79.7        252.621     94.0946     72.6207     
1 1 1 11 9  13 o 31.9324 3.25053 1.86922      0.527115  1.95984      0.517423  4.49448     120.879     40.8784     120.879     
1 1 1 11 9  14 o 162.48  2.2094  49.8041      1.86925   47.1644      1.85179   170.998     314.917     22.2362     314.917     
1 1 1 11 9  15 o 108.615 2.24442 21.7455      1.26713   21.6214      1.25743   68.3608     8.08424     74.0807     188.084     
1 1 1 11 9  16 o 106.817 2.33703 21.5152      1.25105   20.4508      1.32994   107.092     306.227     10.8086     306.227     
1 1 1 11 9  17 o 24.5961 4.08304 0.881698     0.526644  1.4469       0.508533  4.19637     267.492     14.9227     267.492     
1 1 1 11 9  18 o 110.403 2.33925 22.3251      1.38502   22.5026      1.28717   128.591     207.041     49.1066     207.041     
1 1 1 11 9  19 o 111.904 2.44303 23.5239      1.41775   22.5526      1.41272   129.265     214.012     46.7684     214.012     
1 1 1 11 9  20 o 86.213  2.54234 13.6767      1.13252   13.6984      1.1348    72.9621     35.5772     15.7706     215.577     
1 1 1 11 9  21 o 43.8667 3.00162 3.57559      0.702317  3.57454      0.644228  8.08914     151.019     58.4715     331.019     
1 1 1 11 9  22 o 117.67  2.27783 25.1438      1.39094   25.7861      1.38493   147.825     99.4395     72.591      99.4395     
1 1 1 11 9  23 o 42.1464 3.01287 3.2207       0.67058   3.39049      0.62504   22.9533     97.0851     18.8298     277.085     
1 1 1 11 9  24 o 42.1893 3.07735 3.1736       0.684128  3.46019      0.638022  15.1116     28.5073     38.8367     208.507     
1 1 1 11 9  25 o 100.917 2.40831 18.7309      1.29383   18.7851      1.22099   98.3432     49.51       6.86871     49.51       
1 1 1 11 9  26 o 118.882 2.39598 25.1163      1.5065    26.9713      1.43875   131.082     64.4711     37.9391     64.4711     
1 1 1 11 9  27 o 50.0691 2.94706 4.21103      0.750468  5.13228      0.76005   24.5873     32.9596     37.549      212.96      
1 1 1 11 9  28 o 143.849 2.46155 38.2087      1.86085   38.0973      1.8098    180.831     183.825     88.8935     183.825     
1 1 1 11 9  29 o 95.624  2.86611 16.049       1.36155   17.8726      1.47408   92.5192     122.989     5.18617     122.989     
1 1 1 11 9  30 o 178.002 2.69158 59.6964      2.27887   57.6116      2.66486   192.857     177.522     45.9074     177.522     
1 1 1 11 9  31 o 53.6609 2.80783 5.01541      0.764513  5.73954      0.784844  36.7949     186.881     24.7859     6.88066     
1 1 1 11 9  32 o 87.7793 2.61123 14.2931      1.18786   14.3525      1.1831    88.1937     252.548     12.5242     252.548     
1 1 1 11 9  33 o 47.0347 3.36424 4.04133      0.821342  4.34148      0.794066  33.8926     148.579     16.5669     328.579     
1 1 1 11 9  34 o 41.1397 3.0689  3.25783      0.651178  3.15276      0.63803   18.5375     78.401      36.7594     258.401     
1 1 1 11 9  35 f 13.5923 3.72    0.59138      0.45941   -0.535153    0.421448  16.7111     216.23      0           0           
1 1 1 11 9  36 o 79.7539 2.52536 11.7856      1.0418    12.0577      1.04081   81.1362     125.633     15.2658     125.633     
1 1 1 11 9  37 o 18.1771 4.27456 0.315932     0.503568  0.873066     0.484475  3.87982     207.123     0.569238    207.123     
1 1 1 11 9  38 o 13.8969 3.88771 0.569591     0.487101  -0.410069    0.446984  1.70506     216.162     1.51756     36.162      
1 1 1 11 9  39 o 20.6795 4.59559 0.688013     0.556683  1.02251      0.554264  13.483      270.026     5.49153     90.0257     
1 1 1 11 9  40 o 47.7729 3.44434 3.99945      0.856034  4.93203      0.809023  44.1302     79.183      2.84592     79.183      
1 1 1 11 9  41 o 13.686  3.83515 -0.387943    0.478136  0.525573     0.441303  4.2796      115.452     3.43113     295.452     
1 1 1 11 9  42 o 42.0275 3.44825 2.5469       0.697639  4.57961      0.720795  46.4128     60.5648     19.8309     60.5648     
1 1 1 11 9  43 o 34.7985 3.65984 2.57251      0.630842  2.32805      0.646602  31.8369     330.31      3.97839     330.31      
1 1 1 11 9  44 o 11.6071 3.69275 -0.957452    0.507096  0.203871     0.511468  1.59622     11.1985     3.81214     191.199     
1 1 1 11 9  45 o 36.5951 3.97593 3.69655      0.769869  2.02014      0.666886  38.1573     251.345     14.2497     251.345     
1 1 1 11 9  46 o 23.1096 4.5477  0.946513     0.572636  1.46321      0.576743  21.2586     7.60932     6.96959     7.60932     
1 1 1 11 9  47 f 20.6915 4.8151  1.20121      0.625344  0.794864     0.582139  20.7951     194.194     0           0           
1 1 1 11 9  48 o 12.6635 3.84296 -0.810112    0.513058  0.520823     0.521714  4.37928     194.934     7.72461     14.9342     
1 1 1 11 9  49 o 19.8139 4.80552 1.04092      0.602052  0.886287     0.59043   12.8111     111.104     4.45588     291.104     
1 1 1 11 9  50 o 13.7993 4.32038 0.397891     0.629058  -0.194906    0.620716  4.07577     105.216     9.31258     285.216     
1 1 1 11 9  51 o 21.5466 5.54411 1.25595      0.822854  1.48489      0.790238  15.0042     349.134     2.07468     169.134     
1 1 1 11 9  52 o 17.7136 4.8334  1.11051      0.68423   0.545134     0.585123  11.432      330.996     0.803463    150.996     
1 1 1 11 9  53 o 15.9304 4.62724 1.08198      0.687921  -0.00201863  0.612004  6.75965     20.2511     6.97973     200.251     
1 1 1 11 9  54 o 25.093  5.14531 1.65391      0.727019  1.99647      0.701961  17.1836     238.193     3.4951      58.1927     
1 1 1 11 9  55 o 14.4726 4.4912  0.357745     0.661407  0.438532     0.63458   3.08645     146.076     12.6818     326.076     
1 1 1 11 9  56 o 18.9816 5.09179 1.65234      0.754755  0.659561     0.685304  12.6701     318.095     0.0861227   318.094     
1 1 1 11 9  57 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 10 0  o 167.999 2.17753 51.8141      1.89484   51.8141      1.89484   199.586     270         58.7862     270         
1 1 1 11 10 1  o 122.211 2.18141 26.8045      1.37871   28.0447      1.38349   145.234     53.9113     60.0837     53.9113     
1 1 1 11 10 2  o 161.36  2.17598 46.3787      1.81629   49.2169      1.82278   142.015     267.501     34.9439     87.5014     
1 1 1 11 10 3  o 42.4921 2.7328  3.4425       0.597765  3.24685      0.59265   6.87401     129.474     32.2272     309.474     
1 1 1 11 10 4  f 110.234 2.21078 22.0732      1.2616    22.5721      1.26224   141.268     195.414     0           0           
1 1 1 11 10 5  o 83.812  2.28332 11.8236      0.981185  14.0529      0.99451   64.0255     82.5614     28.6235     262.561     
1 1 1 11 10 6  o 74.3439 2.33568 10.4336      0.903008  9.9045       0.892469  75.3572     135.288     21.7291     135.288     
1 1 1 11 10 7  o 52.5848 2.73937 5.44015      0.749213  4.78596      0.732237  8.57001     287.152     112.773     287.152     
1 1 1 11 10 8  o 64.7944 2.58113 8.19562      0.872524  7.29002      0.853032  39.3898     118.631     37.6403     298.631     
1 1 1 11 10 9  o 64.8481 2.50442 7.29115      0.80644   8.21699      0.871236  38.3399     54.1269     40.0792     234.127     
1 1 1 11 10 10 o 190.088 2.28682 66.2847      2.17116   66.4155      2.33267   187.538     110.099     2.14236     290.098     
1 1 1 11 10 11 o 114.883 2.19883 24.8767      1.31765   23.633       1.29855   152.844     216.31      92.071      216.31      
1 1 1 11 10 12 o 220.052 2.24181 89.8315      2.56418   88.0179      2.55004   240.335     162.477     44.1487     162.477     
1 1 1 11 10 13 o 118.988 2.23126 23.5022      1.36479   28.6466      1.377     120.396     183.344     11.6797     183.344     
1 1 1 11 10 14 o 350.268 2.47702 226.037      4.50286   224.841      4.49193   347.373     104.15      3.04005     284.15      
1 1 1 11 10 15 o 94.5578 2.28162 17.161       1.1248    15.7399      1.10768   79.6644     15.8308     19.3443     195.831     
1 1 1 11 10 16 o 152.822 2.31577 43.399       1.77231   42.4134      1.89306   136.917     39.7837     24.8155     219.784     
1 1 1 11 10 17 o 248.399 2.47096 115.328      3.19173   111.487      3.17112   243.523     83.0464     3.19467     263.046     
1 1 1 11 10 18 o 94.4109 2.39135 16.9732      1.22175   15.8377      1.11527   76.7025     75.8097     25.6576     255.81      
1 1 1 11 10 19 o 82.698  2.35193 12.9413      1.01742   12.2387      0.994794  85.5558     230.902     19.4506     230.902     
1 1 1 11 10 20 o 144.051 2.35098 38.3474      1.69046   37.9269      1.81742   144.072     169.328     9.0722      169.328     
1 1 1 11 10 21 o 16.5283 4.17188 0.721262     0.49497   0.012278     0.474608  25.435      297.765     65.2391     297.765     
1 1 1 11 10 22 o 156.108 2.35288 45.2819      1.98202   44.335       1.82408   146.689     200.967     8.78861     20.9674     
1 1 1 11 10 23 o 68.9183 2.51522 7.58957      0.879337  10.0197      0.901102  23.5836     354.322     81.2564     174.322     
1 1 1 11 10 24 o 103.102 2.32732 19.4486      1.24814   19.6999      1.23615   81.74       313.215     31.7099     133.215     
1 1 1 11 10 25 o 52.4531 2.7081  5.17947      0.738265  5.01693      0.724243  24.3354     330.842     42.6384     150.842     
1 1 1 11 10 26 o 16.7573 3.79256 0.985894     0.475057  -0.273288    0.43778   12.324      147.731     33.8483     147.731     
1 1 1 11 10 27 o 66.2401 2.544   8.25072      0.873936  7.98612      0.866461  57.517      301.835     5.06201     121.834     
1 1 1 11 10 28 o 65.4703 2.72276 9.17356      0.928024  6.81624      0.899774  53.6682     348.007     13.0875     168.007     
1 1 1 11 10 29 o 43.2631 3.31772 3.2503       0.760566  3.8035       0.690215  41.6696     169.493     9.02667     169.493     
1 1 1 11 10 30 o 25.8748 4.49523 1.64429      0.616826  0.997202     0.595985  6.09712     336.55      28.7156     156.55      
1 1 1 11 10 31 o 102.379 2.47137 19.529       1.34983   19.3644      1.26838   91.7617     125.749     8.7944      305.749     
1 1 1 11 10 32 o 29.509  4.30013 1.50157      0.679706  1.92597      0.588796  20.5009     121.793     2.93818     301.793     
1 1 1 11 10 33 o 35.6729 4.09002 2.62062      0.738726  2.34232      0.721361  32.3295     106.981     6.23392     106.981     
1 1 1 11 10 34 o 19.4285 4.22726 1.08054      0.504682  0.319604     0.494656  4.97575     186.019     16.122      6.01911     
1 1 1 11 10 35 o 101.711 2.46454 18.8958      1.29302   19.8065      1.30153   100.262     161.94      12.0034     161.94      
1 1 1 11 10 36 o 56.9752 2.92235 5.5349       0.851921  6.82338      0.854639  58.2437     305.394     13.2456     305.394     
1 1 1 11 10 37 o 71.8278 2.75083 9.4522       1.0304    10.0833      1.00855   73.2966     155.763     15.3795     155.763     
1 1 1 11 10 38 o 10.2132 3.35384 -0.272391    0.439255  -0.395908    0.413501  0.293301    117.627     6.13939     117.627     
1 1 1 11 10 39 o 51.2943 3.19636 4.54461      0.832576  5.65061      0.841556  56.0902     136.205     20.6084     136.205     
1 1 1 11 10 40 o 72.6496 2.85182 8.09873      1.02961   12.328       1.08163   63.6705     296.85      3.92602     116.85      
1 1 1 11 10 41 o 40.3855 3.32107 3.338        0.693119  3.09007      0.671276  40.0891     170.88      9.70288     170.88      
1 1 1 11 10 42 o 32.2154 3.72832 1.99123      0.600894  2.22544      0.599814  26.7966     351.786     1.49376     171.786     
1 1 1 11 10 43 o 55.365  2.93103 6.92487      0.847009  5.09142      0.811249  55.5214     27.9144     13.5507     27.9143     
1 1 1 11 10 44 o 25.1052 4.72346 1.61773      0.602651  1.17769      0.667519  18.7939     91.7485     3.38109     271.749     
1 1 1 11 10 45 o 20.839  4.8495  0.669125     0.629763  1.25384      0.621982  16.2277     120.574     0.818907    120.574     
1 1 1 11 10 46 o 30.8106 4.1929  2.33984      0.657167  1.82764      0.632729  21.5311     219.928     9.07722     39.9275     
1 1 1 11 10 47 o 28.8277 4.80863 1.56666      0.629741  2.42097      0.79158   29.5508     187.187     12.5882     187.187     
1 1 1 11 10 48 o 10.3758 3.4995  -0.242177    0.569722  -0.634154    0.454093  1.46472     206.457     5.33501     26.4567     
1 1 1 11 10 49 o 9.81753 3.34511 -0.727314    0.531122  -0.414082    0.488486  0.296402    324.573     2.62513     144.573     
1 1 1 11 10 50 o 17.0514 4.88108 0.660099     0.700497  0.692156     0.641553  9.15858     328.142     5.12497     148.142     
1 1 1 11 10 51 f 12.4009 4.03448 0.198842     0.606685  -0.461623    0.614621  10.7732     22.8296     0           0           
1 1 1 11 10 52 o 14.1816 4.26958 -0.220511    0.590949  0.719623     0.589581  4.80028     176.097     7.79876     356.097     
1 1 1 11 10 53 o 15.5393 4.59547 0.621142     0.609674  0.484554     0.633576  5.59422     273.219     0.566705    93.2186     
1 1 1 11 10 54 o 24.6872 5.17608 1.92354      0.722806  1.67433      0.699074  19.7504     169.019     3.53517     169.019     
1 1 1 11 10 55 o 19.5059 5.16003 0.690745     0.767035  1.72825      0.747014  13.8235     228.644     4.36052     228.644     
1 1 1 11 10 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 11 0  o 71.8552 2.33885 9.53139      0.866929  9.53139      0.866929  56.6817     270         41.1815     270         
1 1 1 11 11 1  o 232.901 2.24147 97.3786      2.70119   101.816      2.7101    201.393     304.395     62.6126     124.395     
1 1 1 11 11 2  o 60.7603 2.41844 6.49799      0.7573    7.11135      0.758801  45.6855     337.52      22.862      337.52      
1 1 1 11 11 3  o 117.801 2.18733 24.5502      1.33095   26.4536      1.33685   95.9048     338.913     37.6386     158.913     
1 1 1 11 11 4  f 117.383 2.21052 25.8937      1.34694   24.742       1.34033   129.038     318.615     0           0           
1 1 1 11 11 5  o 249.054 2.26197 112.523      2.91882   115.267      2.92126   266.101     80.0693     35.5771     80.0693     
1 1 1 11 11 6  o 107.037 2.20435 21.044       1.22497   21.0624      1.21853   103.659     224.656     2.40041     224.656     
1 1 1 11 11 7  o 159.42  2.27276 48.1466      1.95543   45.2161      1.80112   165.996     74.3845     18.6973     74.3845     
1 1 1 11 11 8  o 128.829 2.3747  28.7953      1.58325   32.2437      1.58289   80.6463     259.794     91.3186     79.7936     
1 1 1 11 11 9  o 136.138 2.35357 34.0145      1.665     34.0693      1.65674   148.973     35.1441     33.8811     35.1441     
1 1 1 11 11 10 o 103.499 2.24297 18.964       1.20294   20.4315      1.1995    92.8359     109.388     11.8247     289.388     
1 1 1 11 11 11 o 143.852 2.19615 39.05        1.64578   36.9688      1.62893   153.408     105.396     27.1215     105.396     
1 1 1 11 11 12 o 24.4401 3.69479 1.51556      0.462051  0.800446     0.45318   16.9416     30.8319     54.4133     30.8319     
1 1 1 11 11 13 o 23.4978 3.83913 1.11929      0.464149  0.99993      0.452696  21.0051     325.121     63.2696     325.121     
1 1 1 11 11 14 o 161.325 2.21316 47.7357      1.85315   47.869       1.84831   159.287     359.219     3.56472     359.219     
1 1 1 11 11 15 o 252.856 2.30103 113.239      3.00835   121.762      3.02104   242.72      246.389     13.2276     66.3892     
1 1 1 11 11 16 o 42.6074 2.96348 2.7415       0.611304  4.07033      0.669957  20.3705     98.1123     3.94649     278.112     
1 1 1 11 11 17 o 247.428 2.47259 114.561      3.18462   110.518      3.15755   271.505     154.244     57.3632     154.244     
1 1 1 11 11 18 o 109.991 2.37187 22.7854      1.41166   21.7321      1.28936   79.4546     133.259     52.6543     313.259     
1 1 1 11 11 19 o 130.207 2.24651 31.2724      1.52069   31.0368      1.51184   145.417     162.708     40.8724     162.708     
1 1 1 11 11 20 o 107.646 2.30492 21.0746      1.28695   21.567       1.28217   118.685     280.437     33.875      280.437     
1 1 1 11 11 21 f 68.6431 2.60897 9.18389      0.891186  8.22152      0.951802  72.1621     242.416     0           0           
1 1 1 11 11 22 o 34.7863 3.69408 1.93939      0.637382  2.66041      0.641435  10.8637     133.968     10.0454     313.968     
1 1 1 11 11 23 o 49.7699 3.03326 4.30691      0.770986  4.91001      0.776322  25.6871     115.197     33.1364     295.197     
1 1 1 11 11 24 o 38.4736 3.13819 2.41341      0.612826  3.15167      0.6038    14.5013     331.102     0.477053    151.102     
1 1 1 11 11 25 o 12.8326 3.66055 0.409385     0.43278   -0.429688    0.404103  6.067       342.13      14.4788     342.13      
1 1 1 11 11 26 f 116.843 2.32207 24.6545      1.40534   25.7198      1.40418   81.49       119.187     0           0           
1 1 1 11 11 27 o 139.421 2.44498 35.199       1.76511   36.6066      1.76693   112.88      117.724     39.871      297.724     
1 1 1 11 11 28 o 97.3201 2.50798 17.2381      1.26647   17.8392      1.25925   97.9387     133.47      12.6708     133.47      
1 1 1 11 11 29 o 48.419  2.83088 3.84645      0.697768  4.95023      0.701316  41.5449     192.439     3.48002     12.4392     
1 1 1 11 11 30 o 123.778 2.44055 27.4352      1.61427   29.4054      1.50721   106.995     161.971     19.2048     341.971     
1 1 1 11 11 31 o 58.9507 2.99676 7.09162      0.9482    5.97628      0.870934  58.8489     27.4732     11.1594     27.4732     
1 1 1 11 11 32 o 44.9753 3.50283 3.03524      0.777362  4.77655      0.792878  45.9899     29.0239     13.9836     29.0239     
1 1 1 11 11 33 o 70.8586 2.89722 10.3445      1.02415   8.58983      1.0808    75.4537     222.476     21.2101     222.476     
1 1 1 11 11 34 o 31.107  3.65154 2.02763      0.563288  1.75892      0.57064   11.8299     333.231     30.8866     153.231     
1 1 1 11 11 35 o 11.3174 3.53804 -0.38813     0.421137  0.0792053    0.421721  1.83555     222.167     11.5743     222.167     
1 1 1 11 11 36 o 41.197  3.26335 3.02268      0.684104  3.53877      0.680996  42.4487     251.828     12.2643     251.828     
1 1 1 11 11 37 o 66.7397 2.71371 7.97972      0.955593  8.90704      0.908081  54.0727     351.312     13.4869     171.312     
1 1 1 11 11 38 o 33.6609 3.73114 2.80405      0.644309  1.75344      0.599129  24.4494     5.49464     10.1421     185.495     
1 1 1 11 11 39 o 37.7461 3.94994 2.76926      0.738234  2.96071      0.760795  27.4107     337.574     11.6889     157.574     
1 1 1 11 11 40 o 30.8162 4.23206 2.27939      0.644413  1.6683       0.655378  27.9813     50.5144     3.8972      50.5144     
1 1 1 11 11 41 o 21.5808 4.5765  1.22208      0.569575  0.751011     0.555043  11.8012     174.834     11.1848     354.834     
1 1 1 11 11 42 o 35.1662 3.77811 2.11325      0.65515   2.96148      0.66364   29.3439     263.883     1.70978     83.8831     
1 1 1 11 11 43 o 32.7498 4.1956  1.75755      0.628026  2.83478      0.744207  24.9089     293.027     6.03676     113.027     
1 1 1 11 11 44 o 44.7652 3.58405 3.3044       0.73953   4.98572      0.890714  44.3747     350.351     11.4061     350.351     
1 1 1 11 11 45 o 73.2395 3.10118 11.0656      1.1762    10.4514      1.16711   73.2467     291.433     18.4088     291.433     
1 1 1 11 11 46 o 30.0712 4.68452 1.43372      0.781564  2.82188      0.676624  22.29       261.797     5.77174     81.7967     
1 1 1 11 11 47 o 25.3564 4.51909 1.02238      0.599356  2.05381      0.632686  18.2551     250.594     4.78207     70.5945     
1 1 1 11 11 48 o 26.5583 4.86314 1.61157      0.667138  1.90216      0.685217  25.351      149.823     9.5821      149.823     
1 1 1 11 11 49 o 15.4562 4.47294 0.619147     0.573822  0.286599     0.580427  7.41647     242.344     0.603897    242.344     
1 1 1 11 11 50 o 14.9009 4.50194 0.529312     0.63481   0.227475     0.602401  6.71015     64.1568     5.34972     244.157     
1 1 1 11 11 51 o 21.5948 5.04924 0.889255     0.659969  1.77507      0.709501  12.5102     13.5548     7.86303     193.555     
1 1 1 11 11 52 o 10.9929 3.60706 -1.70788     0.54213   0.418141     0.563509  0.11686     337.684     10.5954     337.684     
1 1 1 11 11 53 o 15.8025 4.63678 0.453872     0.620807  0.734305     0.633429  6.64529     239.25      5.11755     59.2495     
1 1 1 11 11 54 o 14.4425 4.44549 0.501906     0.635329  0.328719     0.611287  5.55949     4.96216     4.2967      184.962     
1 1 1 11 11 55 o 20.0778 5.27807 1.54187      0.75733   1.14167      0.716605  15.1008     165.938     4.45988     165.938     
1 1 1 11 11 56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 12 0  o 162.572 2.1857  48.5357      1.8404    48.5357      1.8404    153.346     270         18.9789     90          
1 1 1 11 12 1  o 193.664 2.21367 67.0863      2.21925   70.6781      2.22424   179.195     133.541     24.6085     313.541     
1 1 1 11 12 2  o 51.9198 2.53873 4.65494      0.679617  5.30894      0.675787  18.391      222.172     51.3545     42.1717     
1 1 1 11 12 3  o 140.136 2.1768  35.1593      1.58045   36.9705      1.58131   166.818     55.6357     62.8221     55.6357     
1 1 1 11 12 4  o 88.4694 2.24525 13.741       1.02439   15.0579      1.03018   103.851     231.558     50.6696     231.558     
1 1 1 11 12 5  o 86.7299 2.26298 13.4395      1.017     14.233       1.01352   104.61      66.8549     60.1707     66.8549     
1 1 1 11 12 6  o 107.75  2.21515 21.1405      1.23847   21.5392      1.23324   101.736     117.556     2.14837     297.556     
1 1 1 11 12 7  o 112.334 2.21513 23.3445      1.29358   23.041       1.28361   83.42       38.5932     49.9828     218.593     
1 1 1 11 12 8  o 49.2527 2.85212 3.79919      0.715911  5.24123      0.710909  24.6785     340.531     26.5245     160.531     
1 1 1 11 12 9  o 140.983 2.3494  37.1568      1.72483   35.8783      1.70889   118.298     94.0488     38.0465     274.049     
1 1 1 11 12 10 o 203.596 2.21443 75.3739      2.33633   76.8948      2.33752   207.548     167.109     14.8548     167.109     
1 1 1 11 12 11 o 68.1375 2.36321 8.83396      0.837251  8.27151      0.826632  63.4483     30.1715     10.1675     30.1715     
1 1 1 11 12 12 o 119.168 2.22102 27.0127      1.37849   25.2085      1.3623    121.824     29.9126     15.5325     29.9126     
1 1 1 11 12 13 o 94.3778 2.26581 15.4956      1.10132   17.2928      1.11034   69.5309     291.023     40.1669     111.023     
1 1 1 11 12 14 o 147.779 2.20302 39.7998      1.68823   40.4329      1.68681   146.601     43.5853     6.63692     43.5854     
1 1 1 11 12 15 o 172.766 2.23034 53.4287      1.99501   56.2603      1.99885   160.304     1.01313     16.1777     181.013     
1 1 1 11 12 16 o 25.7265 3.9769  1.00977      0.509045  1.54594      0.526679  37.5104     335.926     115.301     335.926     
1 1 1 11 12 17 o 252.071 2.48552 115.975      3.25514   117.696      3.23994   300.314     273.533     108.55      273.533     
1 1 1 11 12 18 o 179.351 2.25513 57.999       2.09219   60.2545      2.10048   155.9       352.276     36.5188     172.276     
1 1 1 11 12 19 o 157.583 2.2614  45.3254      1.8486    45.9791      1.84574   160.249     256.719     16.8218     256.719     
1 1 1 11 12 20 f 157.926 2.25888 48.0797      1.86337   43.6899      1.83311   113.321     256.759     0           0           
1 1 1 11 12 21 o 76.731  2.41784 11.521       0.972423  10.2112      0.944895  70.3255     63.5307     1.3525      63.5308     
1 1 1 11 12 22 o 44.5665 2.86825 3.66806      0.660648  3.71882      0.649895  16.7758     193.614     39.7313     13.614      
1 1 1 11 12 23 o 38.9331 3.48964 2.4197       0.677657  3.31833      0.68379   9.65707     292.138     43.7041     112.138     
1 1 1 11 12 24 o 64.6368 2.77217 8.27213      0.931422  7.2317       0.915189  56.8344     353.847     2.48503     173.847     
1 1 1 11 12 25 o 49.3433 2.78204 4.04769      0.699528  5.03796      0.705322  27.1538     19.6718     33.9964     199.672     
1 1 1 11 12 26 o 106.346 2.47305 20.1751      1.34947   21.671       1.37278   100.486     324.744     0.0260494   324.741     
1 1 1 11 12 27 o 39.152  3.17278 2.75335      0.629415  3.02444      0.634042  27.4452     120.397     13.1858     300.397     
1 1 1 11 12 28 o 18.2263 4.14571 0.365914     0.451828  0.831744     0.465726  0.746717    71.9982     21.1221     71.9982     
1 1 1 11 12 29 o 10.8908 3.31183 0.236893     0.397979  -0.568081    0.340639  8.03881     196.591     22.0001     196.591     
1 1 1 11 12 30 o 40.845  3.01048 3.56874      0.635868  2.75642      0.6135    31.2313     124.209     8.78675     304.209     
1 1 1 11 12 31 o 8.99652 3.03734 -0.411509    0.410501  -0.620086    0.380161  12.5967     107.043     31.5788     107.043     
1 1 1 11 12 32 o 26.6679 4.48075 0.372027     0.687734  2.48205      0.699784  13.6529     168.165     16.1839     348.165     
1 1 1 11 12 33 o 61.0125 2.73046 6.95419      0.827444  7.07204      0.890003  74.2391     21.5038     38.6397     21.5038     
1 1 1 11 12 34 o 42.1358 3.18676 3.34642      0.693822  3.47063      0.675828  45.1521     285.734     16.4626     285.734     
1 1 1 11 12 35 o 72.8438 2.69247 9.85762      1.02225   10.1996      1.0033    85.3369     217.341     38.2199     217.341     
1 1 1 11 12 36 o 18.6861 4.13172 1.04685      0.49302   0.273237     0.461898  6.4124      102.532     17.257      282.532     
1 1 1 11 12 37 o 13.8677 3.9541  0.301906     0.452044  0.108411     0.427755  2.93676     158.371     12.4178     338.371     
1 1 1 11 12 38 o 21.4323 4.59408 0.830215     0.568359  1.06792      0.548372  13.8437     107.879     6.33663     287.879     
1 1 1 11 12 39 o 63.2009 3.53288 9.29914      1.07212   6.54284      1.16638   50.6555     191.362     11.8838     11.3624     
1 1 1 11 12 40 o 29.1316 4.36809 2.90932      0.653194  0.781937     0.703102  26.3044     16.5078     4.25584     16.5077     
1 1 1 11 12 41 o 16.1116 4.40084 0.496585     0.559109  0.361079     0.483326  7.76722     299.685     5.71804     119.685     
1 1 1 11 12 42 o 37.9881 3.92305 2.12592      0.719892  3.94153      0.714081  24.4594     336.358     16.9587     156.358     
1 1 1 11 12 43 o 21.8354 4.49126 0.628883     0.579063  1.4539       0.563905  8.80972     27.5381     18.2592     207.538     
1 1 1 11 12 44 o 12.3215 3.84816 0.191093     0.50645   -0.290775    0.477502  4.02398     126.022     5.00665     306.022     
1 1 1 11 12 45 o 32.9498 4.04353 2.83997      0.677919  1.92738      0.644159  24.66       19.0261     6.44492     199.026     
1 1 1 11 12 46 o 32.2543 4.81253 2.15751      0.79367   2.79403      0.766357  31.2674     280.585     9.40154     280.585     
1 1 1 11 12 47 o 33.9156 4.54663 3.15734      0.814816  2.28456      0.726353  34.7588     205.099     14.2277     205.099     
1 1 1 11 12 48 o 15.6579 4.4783  0.308895     0.556524  0.657735     0.581444  3.37269     98.3549     1.08069     98.3549     
1 1 1 11 12 49 o 24.3228 4.70523 0.989923     0.662956  2.08685      0.643859  20.8725     138.859     4.79595     138.859     
1 1 1 11 12 50 o 15.4895 4.56231 0.618794     0.628475  0.396436     0.587347  7.63487     69.7818     0.977637    69.7818     
1 1 1 11 12 51 o 19.9743 4.96522 1.41772      0.668958  0.854823     0.629515  13.3983     324.94      6.17655     324.94      
1 1 1 11 12 52 o 16.1693 4.74361 1.04368      0.698052  0.145176     0.668364  4.59752     5.32885     0.594645    5.32885     
1 1 1 11 12 53 o 11.8982 3.92297 0.0808492    0.594761  -0.320089    0.601146  1.59554     83.9702     2.83392     263.97      
1 1 1 11 12 54 o 17.817  4.44024 1.7829       0.674004  -0.372613    0.636326  11.7567     162.167     1.39813     162.167     
1 1 1 11 12 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 13 0  o 109.662 2.24587 22.119       1.27423   22.119       1.27423   93.2631     270         31.7396     90          
1 1 1 11 13 1  o 189.985 2.20149 64.6295      2.16339   67.9698      2.17184   220.385     338.565     69.1183     338.565     
1 1 1 11 13 2  o 81.7334 2.25669 12.1195      0.952774  12.4593      0.955646  18.2372     257.133     118.951     77.1334     
1 1 1 11 13 3  o 91.9678 2.33318 16.2446      1.06587   14.8861      1.14822   96.6785     236.551     24.2049     236.551     
1 1 1 11 13 4  o 228.229 2.23749 92.7714      2.6397    98.6191      2.65293   229.681     159.288     9.90777     159.288     
1 1 1 11 13 5  o 71.2697 2.3145  9.33246      0.856151  9.36876      0.849358  53.1064     334.31      22.4034     154.31      
1 1 1 11 13 6  o 112.191 2.21286 21.9715      1.27887   24.3308      1.29042   91.785      253.877     31.6832     73.8767     
1 1 1 11 13 7  o 419.984 2.62439 321.865      5.71038   326.685      5.71615   490.931     296.087     151.268     296.087     
1 1 1 11 13 8  o 65.6796 2.57531 7.38917      0.872352  8.53979      0.870576  63.3451     215.426     17.7311     215.426     
1 1 1 11 13 9  o 68.0421 2.54732 8.33727      0.898891  8.73298      0.891007  19.8747     34.0084     86.8319     214.008     
1 1 1 11 13 10 o 86.4124 2.30237 13.6466      1.03065   13.8304      1.02819   91.8742     218.796     25.5714     218.796     
1 1 1 11 13 11 o 134.121 2.21822 33.3183      1.54522   32.7722      1.53909   135.852     291.825     13.2521     291.825     
1 1 1 11 13 12 o 236.266 2.2743  102.428      2.78894   102.696      2.78174   237.875     121.102     13.2192     121.102     
1 1 1 11 13 13 f 251.745 2.30159 112.542      2.99564   120.442      3.00909   219.023     73.9617     0           0           
1 1 1 11 13 14 o 16.2957 3.94882 0.508442     0.402595  0.384117     0.404054  20.8742     323.881     53.4435     323.881     
1 1 1 11 13 15 o 165.175 2.24593 51.3622      1.93043   48.9311      1.91499   149.131     312.968     21.8617     132.968     
1 1 1 11 13 16 o 40.6052 3.02884 2.92238      0.613689  3.22344      0.642015  8.71708     48.9484     49.5576     228.948     
1 1 1 11 13 17 f 36.3692 3.71807 1.53036      0.636181  3.68378      0.634514  23.9596     159.147     0           0           
1 1 1 11 13 18 o 75.9278 2.41631 10.1061      0.951047  11.1606      0.943891  66.4809     176.501     5.45208     356.501     
1 1 1 11 13 19 o 15.8506 4.03209 0.234154     0.442424  0.516174     0.418987  28.8441     299.194     71.0038     299.194     
1 1 1 11 13 20 o 95.6692 2.33809 18.6586      1.17131   15.1635      1.13789   78.212      45.9668     22.2325     225.967     
1 1 1 11 13 21 o 150.865 2.26056 40.6007      1.76374   43.2143      1.77078   172.713     216.354     58.9778     216.354     
1 1 1 11 13 22 o 8.20741 2.78965 -0.367619    0.363169  -0.668452    0.326397  6.93708     315.181     14.8572     315.181     
1 1 1 11 13 23 o 83.0018 2.38673 13.3014      1.02974   12.1627      1.01863   76.7543     235.266     0.667063    55.2657     
1 1 1 11 13 24 o 20.6628 4.45518 0.950652     0.502689  0.639981     0.554558  7.26802     55.6087     43.2494     55.6087     
1 1 1 11 13 25 o 107.338 2.71911 20.8987      1.5016    21.8375      1.5191    111.411     187.588     20.6577     187.588     
1 1 1 11 13 26 o 79.3539 2.65601 12.5291      1.15012   10.8918      1.02981   65.715      95.0539     16.5718     275.054     
1 1 1 11 13 27 o 87.0982 2.3959  13.7201      1.08182   14.4205      1.0768    73.7317     125.559     15.0458     305.559     
1 1 1 11 13 28 o 30.1547 3.4697  1.54266      0.518037  1.96439      0.525063  6.82159     163.61      37.7123     343.61      
1 1 1 11 13 29 o 58.8714 2.63423 6.00686      0.799292  6.96505      0.796339  59.1135     81.0445     11.9425     81.0445     
1 1 1 11 13 30 o 102.456 2.48011 18.4969      1.34602   20.6694      1.27612   98.3011     176.403     6.40948     176.403     
1 1 1 11 13 31 o 22.9214 4.21877 0.801832     0.52556   1.29449      0.504716  13.9737     163.206     3.70166     343.206     
1 1 1 11 13 32 o 35.813  3.94179 2.01972      0.709845  3.06953      0.673926  39.3221     59.1903     19.5842     59.1903     
1 1 1 11 13 33 o 57.4219 3.13977 6.08318      0.927356  6.51699      0.926214  50.5011     315.921     3.1768      135.921     
1 1 1 11 13 34 o 23.2923 4.2974  1.0911       0.542466  1.11849      0.506576  17.2702     125.362     2.49738     305.362     
1 1 1 11 13 35 o 28.9001 3.95465 1.33582      0.536873  2.05163      0.606354  17.3719     243.589     15.4236     63.5894     
1 1 1 11 13 36 o 20.3785 4.41287 0.531758     0.483671  1.15708      0.564036  12.8992     144.076     5.98478     324.076     
1 1 1 11 13 37 o 40.3364 3.37711 3.24006      0.724466  3.14475      0.659246  38.0009     313.099     5.28248     313.099     
1 1 1 11 13 38 o 38.8505 3.98297 2.55276      0.783335  3.59652      0.741856  32.9478     75.3929     1.87791     255.393     
1 1 1 11 13 39 o 23.1682 4.36808 0.680019     0.560097  1.59518      0.564919  7.96083     314.568     22.8322     134.568     
1 1 1 11 13 40 o 37.269  3.65567 2.29859      0.6835    3.35748      0.659274  32.0536     5.63945     0.0711412   185.639     
1 1 1 11 13 41 o 13.1255 3.8844  -0.252102    0.456018  0.389264     0.47782   4.16859     73.4934     5.05815     253.493     
1 1 1 11 13 42 o 29.9906 4.10841 2.2956       0.627067  1.5684       0.602291  29.9271     162.583     10.5495     162.583     
1 1 1 11 13 43 o 14.2571 4.08548 -0.0662446   0.487515  0.526333     0.496874  5.67731     104.437     0.777263    104.437     
1 1 1 11 13 44 o 18.9675 4.59822 0.840614     0.551048  0.780439     0.53904   15.408      269.711     4.46612     269.711     
1 1 1 11 13 45 o 21.571  4.55901 0.73984      0.567653  1.46155      0.577446  16.4268     258.225     0.827717    78.225      
1 1 1 11 13 46 o 16.6753 4.45254 0.00179181   0.519108  1.09535      0.623547  7.13818     12.7544     3.26992     12.7544     
1 1 1 11 13 47 o 14.4526 4.49001 0.208227     0.67311   0.236212     0.624391  6.03324     176.094     4.25343     356.094     
1 1 1 11 13 48 o 12.2626 3.85962 0.329801     0.520274  -0.386941    0.511336  2.6632      191.229     1.88089     11.2287     
1 1 1 11 13 49 o 9.59314 3.2919  -0.846935    0.52884   -0.400691    0.504933  0.101882    168.053     6.84571     348.053     
1 1 1 11 13 50 o 11.2051 3.69682 -0.0422713   0.532379  -0.337534    0.52845   0.597429    217.632     13.7742     217.632     
1 1 1 11 13 51 o 15.0346 4.42423 0.892917     0.631576  -0.0145372   0.564885  5.41224     57.5247     2.9637      237.525     
1 1 1 11 13 52 o 13.4789 4.2087  0.696712     0.635846  -0.449031    0.590027  3.74267     179.018     3.17468     359.018     
1 1 1 11 13 53 o 17.6841 4.97519 0.701056     0.666092  1.21305      0.715196  10.6377     332.37      2.85906     332.37      
1 1 1 11 13 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 14 0  o 108.482 2.39831 21.6593      1.34564   21.6593      1.34564   103.745     270         6.92607     90          
1 1 1 11 14 1  f 120.155 2.18387 26.3494      1.35938   26.7216      1.3587    122.75      165.894     0           0           
1 1 1 11 14 2  o 161.027 2.19777 47.0517      1.8342    48.2073      1.83454   200.973     133.51      91.2811     133.51      
1 1 1 11 14 3  o 120.466 2.20405 26.6564      1.37678   26.6922      1.37353   135.724     280.221     42.2948     280.221     
1 1 1 11 14 4  o 16.7173 3.76982 0.579484     0.376353  0.427523     0.363339  20.2262     40.9022     50.1195     40.9022     
1 1 1 11 14 5  o 98.0026 2.23879 16.9738      1.13595   18.3641      1.13428   112.05      353.963     42.2884     353.963     
1 1 1 11 14 6  o 165.61  2.20844 49.2643      1.88895   51.5112      1.9023    168.079     307.76      14.6153     307.76      
1 1 1 11 14 7  o 157.255 2.20859 45.6966      1.80014   45.1589      1.80044   144.509     351.493     16.1397     171.493     
1 1 1 11 14 8  o 96.7482 2.381   16.3426      1.22961   18.1262      1.14656   96.1266     1.85808     10.4338     1.85808     
1 1 1 11 14 9  o 40.1915 2.99719 3.11687      0.624408  2.89796      0.605542  16.4067     237.549     27.6394     57.5485     
1 1 1 11 14 10 o 227.606 2.35302 96.5358      2.68184   93.9001      2.86444   241.542     327.116     39.4556     327.116     
1 1 1 11 14 11 o 83.2819 2.32244 12.5281      1.00191   13.0094      0.999008  64.5811     114.202     26.9293     294.202     
1 1 1 11 14 12 f 70.3457 2.38928 9.524        0.873707  8.72212      0.862811  44.7202     30.4339     0           0           
1 1 1 11 14 13 o 42.1741 2.82795 2.67642      0.596756  3.99865      0.604839  24.4324     145.42      3.11188     145.42      
1 1 1 11 14 14 o 86.4894 2.31319 13.6893      1.03379   13.8577      1.03658   113.16      106.342     77.0374     106.342     
1 1 1 11 14 15 o 35.7034 3.02667 2.26083      0.553771  2.50815      0.541908  10.4983     156.393     27.3265     336.393     
1 1 1 11 14 16 o 26.9661 3.77589 1.20278      0.497683  1.59189      0.520648  10.6668     305.263     55.4777     305.263     
1 1 1 11 14 17 o 95.879  2.51181 15.4179      1.23801   18.5538      1.24698   96.4274     128.028     15.3764     128.028     
1 1 1 11 14 18 o 103.555 2.30263 18.6503      1.23369   20.8943      1.23211   90.9368     242.673     12.1107     62.6729     
1 1 1 11 14 19 o 97.4596 2.32273 16.5983      1.16733   18.4471      1.17399   93.7271     281.919     5.94148     281.919     
1 1 1 11 14 20 o 81.0856 2.35636 12.5423      0.990599  11.7357      0.985328  80.8655     212.032     12.9966     212.032     
1 1 1 11 14 21 f 24.3088 3.82455 0.710179     0.48771   1.60288      0.472254  33.716      77.5773     0           0           
1 1 1 11 14 22 o 53.1314 2.63794 5.48599      0.728319  5.00636      0.714835  42.9282     287.668     9.60776     107.668     
1 1 1 11 14 23 o 39.6849 3.05322 2.98744      0.61796   2.92693      0.617905  18.2245     83.135      34.1204     263.135     
1 1 1 11 14 24 o 43.2701 2.98684 2.92026      0.646319  4.15517      0.660485  36.6015     150.971     2.32012     330.971     
1 1 1 11 14 25 o 86.6807 2.50732 13.0198      1.07426   14.9001      1.17485   79.3477     77.3843     2.74307     257.384     
1 1 1 11 14 26 o 103.377 2.5898  21.9081      1.40619   17.9206      1.35859   115.463     83.1228     38.5697     83.1228     
1 1 1 11 14 27 o 13.4123 3.57583 0.66874      0.470743  -0.527463    0.338848  2.43309     61.5211     10.2267     61.5211     
1 1 1 11 14 28 o 18.9706 4.15347 0.695035     0.456156  0.684122     0.444314  2.41519     202.877     19.3365     22.8771     
1 1 1 11 14 29 o 39.1216 3.01899 3.3968       0.605496  2.45552      0.587122  36.1319     233.999     4.8344      233.999     
1 1 1 11 14 30 o 24.201  4.08775 1.24244      0.523999  1.10202      0.487898  17.8723     225.64      1.88763     225.64      
1 1 1 11 14 31 o 37.0178 4.06195 2.0932       0.671383  3.39922      0.835409  23.0689     310.022     19.3313     130.022     
1 1 1 11 14 32 o 39.3537 3.72984 2.53403      0.712651  3.57475      0.757965  36.692      164.38      4.28356     164.38      
1 1 1 11 14 33 o 33.2046 4.10334 2.31674      0.768554  2.09729      0.587907  34.8108     178.863     13.3985     178.863     
1 1 1 11 14 34 o 38.1143 3.46799 2.7765       0.670894  2.89849      0.667267  32.4094     40.7549     2.39951     220.755     
1 1 1 11 14 35 o 9.65347 3.17757 -0.13715     0.408574  -0.559678    0.372239  0.762987    308.858     6.59006     308.858     
1 1 1 11 14 36 o 35.8454 3.41735 2.47574      0.625473  2.59582      0.611171  27.9045     87.2469     6.75201     267.247     
1 1 1 11 14 37 o 17.4564 4.33209 0.568787     0.495563  0.59293      0.474896  6.83973     148.103     12.8128     328.103     
1 1 1 11 14 38 o 16.0748 4.3797  0.258337     0.503522  0.561772     0.537166  0.719443    204.707     0.198098    204.707     
1 1 1 11 14 39 f 86.6291 2.76273 13.9129      1.2313    15.063       1.24232   61.1082     118.97      0           0           
1 1 1 11 14 40 o 59.9309 2.8558  6.40486      0.870233  7.62673      0.889579  63.4369     6.26633     21.9632     6.26633     
1 1 1 11 14 41 o 22.7955 4.40146 1.44214      0.557544  0.854708     0.534069  17.8737     115.835     0.318618    295.835     
1 1 1 11 14 42 o 12.5676 3.86323 0.0591805    0.479869  0.0448163    0.458011  3.8758      228.229     1.5269      48.2295     
1 1 1 11 14 43 o 13.7473 4.06844 0.0882728    0.50158   0.32264      0.480388  6.71216     183.122     2.55596     3.12166     
1 1 1 11 14 44 o 24.1396 4.51011 1.82535      0.613355  0.945938     0.570345  17.661      339.161     3.60113     159.161     
1 1 1 11 14 45 o 22.9007 4.44703 0.823174     0.572707  1.69111      0.572118  21.0179     260.019     8.24221     260.019     
1 1 1 11 14 46 o 23.5684 4.77692 1.85754      0.646232  0.967682     0.639515  16.7014     164.259     3.16491     344.259     
1 1 1 11 14 47 f 13.7169 4.05834 0.690017     0.533117  -0.624259    0.592913  7.19589     200.754     0           0           
1 1 1 11 14 48 o 12.3429 3.84788 -0.963189    0.609619  0.481017     0.511744  2.96196     133.779     1.53428     313.779     
1 1 1 11 14 49 o 24.3379 4.73882 2.46127      0.71202   0.814951     0.668452  22.2797     193.689     13.5966     193.689     
1 1 1 11 14 50 o 12.4034 3.97135 0.177679     0.548654  -0.086051    0.555827  1.82696     213.294     4.5131      33.2935     
1 1 1 11 14 51 o 9.58735 3.29012 -0.903734    0.517199  -0.284187    0.515557  0.136468    359.658     2.17192     359.658     
1 1 1 11 14 52 o 11.7086 3.86191 0.260337     0.61056   -0.551982    0.557215  2.08365     262.527     4.39567     82.527      
1 1 1 11 14 53 o ?       ?       ?            ?         ?            ?         11.3126     196.003     0           0           
1 1 1 11 15 0  o 20.0156 4.33718 0.916635     0.393257  0.916635     0.393257  5.57119     90          18.465      90          
1 1 1 11 15 1  o 186.643 2.22369 63.569       2.15302   64.4422      2.14965   232.401     67.2882     103.884     67.2882     
1 1 1 11 15 2  o 204.399 2.23363 78.6623      2.37526   74.8902      2.35723   198.781     320.145     0.0170088   320.168     
1 1 1 11 15 3  o 154.784 2.30322 44.0309      1.9227    44.0262      1.77004   142.542     44.4976     14.1951     224.498     
1 1 1 11 15 4  o 98.3102 2.2455  17.849       1.14492   17.7072      1.14069   95.879      52.4959     6.43446     52.4959     
1 1 1 11 15 5  o 16.2087 3.09783 1.00626      0.360339  -0.24464     0.338673  1.68406     235.821     4.43609     235.821     
1 1 1 11 15 6  o 66.8955 2.37086 8.61234      0.821936  7.88919      0.81607   54.8383     354.769     10.9775     174.769     
1 1 1 11 15 7  o 70.4779 2.33432 9.15855      0.847812  9.1426       0.853021  22.1615     344.313     87.4386     164.313     
1 1 1 11 15 8  o 129.866 2.29528 30.5835      1.59993   31.4446      1.48479   102.158     210.551     44.9202     30.5512     
1 1 1 11 15 9  f 44.6376 2.8289  3.78831      0.652917  3.6086       0.642243  49.8213     359.255     0           0           
1 1 1 11 15 10 o 27.3279 3.44243 1.77172      0.457563  1.09997      0.470045  5.2093      145.073     41.8053     145.073     
1 1 1 11 15 11 o 134.012 2.22125 32.2159      1.5373    33.8246      1.5483    147.443     83.7206     40.286      83.7206     
1 1 1 11 15 12 o 285.058 2.34104 147.841      3.45795   151.08       3.46013   317.571     193.198     84.0345     193.198     
1 1 1 11 15 13 o 55.1896 2.50853 5.9238       0.717864  5.34285      0.708744  29.6077     251.705     37.3076     71.7054     
1 1 1 11 15 14 o 67.3603 2.40816 7.86633      0.83763   8.89526      0.836013  71.6063     355.81      30.5686     355.81      
1 1 1 11 15 15 o 110.182 2.25464 22.5958      1.29314   22.1221      1.27958   103.589     343.171     0.611385    343.172     
1 1 1 11 15 16 o 59.4615 2.56668 6.27958      0.762664  6.80694      0.812281  12.5441     288.181     83.3166     108.181     
1 1 1 11 15 17 o 82.6706 2.5571  11.5894      1.09121   13.7073      1.08885   69.3381     50.5341     14.1225     230.534     
1 1 1 11 15 18 o 102.645 2.27244 19.8017      1.21003   19.065       1.20494   104.982     314.811     18.016      314.811     
1 1 1 11 15 19 o 64.2879 2.45486 7.78901      0.822898  7.50949      0.807164  62.2691     10.8938     8.45772     10.8938     
1 1 1 11 15 20 o 40.6664 2.83701 3.07121      0.597497  3.11071      0.582764  26.2925     40.7845     18.2021     220.784     
1 1 1 11 15 21 o 71.2603 2.38859 9.73851      0.883536  9.07339      0.875467  58.5103     301.088     15.2542     121.088     
1 1 1 11 15 22 o 42.6376 2.90922 3.56879      0.636868  3.24692      0.632097  41.2658     211.533     10.1375     211.533     
1 1 1 11 15 23 o 20.7728 3.94892 0.558471     0.451846  1.11019      0.444671  4.81056     89.1795     7.956       269.18      
1 1 1 11 15 24 o 57.1394 2.52694 6.4156       0.750342  5.75312      0.737925  58.8469     261.145     15.3249     261.145     
1 1 1 11 15 25 o 62.0194 2.55104 6.83596      0.816762  7.5128       0.814803  58.3668     140.74      4.18663     140.74      
1 1 1 11 15 26 o 15.9405 4.0433  0.57376      0.418099  0.205841     0.4598    0.583264    197.289     14.3447     197.289     
1 1 1 11 15 27 f 74.6797 2.96006 12.2331      1.07192   8.87673      1.16747   69.8912     161.018     0           0           
1 1 1 11 15 28 o 39.1052 3.16687 2.98403      0.670603  2.85813      0.588482  36.1516     279.34      4.50883     279.34      
1 1 1 11 15 29 o 61.0893 3.02605 7.6321       1.09285   6.55203      0.805791  52.6516     133.983     5.79649     313.983     
1 1 1 11 15 30 o 47.9498 3.16604 3.95724      0.804944  4.86877      0.730898  40.0018     203.9       6.05909     23.9004     
1 1 1 11 15 31 o 7.18424 3.50673 -1.27045     0.299019  -0.544489    0.302457  2.68741     303.728     7.29844     303.728     
1 1 1 11 15 32 o 38.6608 3.41401 3.21741      0.649084  2.61034      0.677322  29.6604     342.804     9.24742     162.804     
1 1 1 11 15 33 f 35.0119 3.40203 1.96383      0.58447   2.87242      0.600312  32.0521     226.829     0           0           
1 1 1 11 15 34 o 19.095  4.35604 0.875843     0.513958  0.579538     0.474769  12.001      329.854     4.32154     149.854     
1 1 1 11 15 35 o 44.5588 3.27489 3.18123      0.714384  4.65246      0.759487  40.5942     100.156     2.77958     100.156     
1 1 1 11 15 36 f 21.8585 4.2624  0.673002     0.509929  1.32612      0.52104   24.629      247.317     0           0           
1 1 1 11 15 37 o 68.1447 2.91295 8.27984      1.01819   9.73809      1.02477   72.5784     209.488     24.6327     209.488     
1 1 1 11 15 38 o 44.5983 3.56537 3.65921      0.824579  4.34188      0.782062  48.4794     169.369     20.2262     169.369     
1 1 1 11 15 39 o 11.8433 3.67916 -0.285533    0.439864  0.153248     0.451822  1.77226     287.614     2.13937     107.614     
1 1 1 11 15 40 o 26.1235 4.29779 1.67735      0.570551  1.30566      0.575516  14.8391     5.78197     13.9071     185.782     
1 1 1 11 15 41 o 13.4123 3.99025 0.109183     0.480829  0.231142     0.465032  5.16482     204.407     6.70608     24.407      
1 1 1 11 15 42 o 17.96   4.45811 0.93614      0.533193  0.450568     0.524395  13.9021     44.3637     3.89619     44.3637     
1 1 1 11 15 43 o 21.6389 4.23549 1.77317      0.57422   0.358943     0.556644  15.7219     237.607     2.58447     57.6069     
1 1 1 11 15 44 o 16.0682 3.84713 -0.614945    0.488754  1.2183       0.52885   9.59206     4.03277     2.64908     4.03277     
1 1 1 11 15 45 o 12.8117 3.924   0.441703     0.511625  -0.384533    0.51531   3.81198     135.077     5.02171     315.077     
1 1 1 11 15 46 o 16.722  4.53634 0.531936     0.552187  0.766892     0.557508  9.80926     184.732     2.3894      184.732     
1 1 1 11 15 47 o 24.8951 4.67946 1.1859       0.625685  2.05657      0.643072  20.0588     208.862     1.72956     208.862     
1 1 1 11 15 48 o 17.1072 4.8294  -0.00917737  0.733735  1.2736       0.705245  6.05844     44.9628     2.29439     44.9628     
1 1 1 11 15 49 o 13.3217 4.2318  0.516493     0.663491  -0.265386    0.572717  2.83907     165.631     7.29339     345.631     
1 1 1 11 15 50 o 15.4763 4.49051 0.607556     0.590373  0.527055     0.561941  6.14572     336.676     0.518834    156.676     
1 1 1 11 15 51 o 13.3908 4.20011 0.128709     0.60104   0.366289     0.568835  3.73179     245.426     1.63164     65.4262     
1 1 1 11 15 52 o 14.4348 4.4361  0.125551     0.643675  0.664849     0.623693  5.89221     324.902     0.185262    324.902     
1 1 1 11 16 0  o 12.8856 4.42956 0.450016     0.347023  0.450016     0.347023  11.0265     90          25.4704     90          
1 1 1 11 16 1  o 63.9145 2.39988 7.764        0.795365  7.30714      0.788745  67.1547     103.871     28.9604     103.871     
1 1 1 11 16 2  o 160.412 2.20578 48.5021      1.83903   46.1112      1.8286    181.645     206.245     56.4767     206.245     
1 1 1 11 16 3  o 55.0261 2.60741 5.2819       0.770427  5.92146      0.700335  31.2653     339.365     20.839      339.365     
1 1 1 11 16 4  o 49.7341 2.52228 4.38003      0.650588  4.77259      0.639727  17.9571     119.268     50.5103     299.268     
1 1 1 11 16 5  o 122.189 2.22417 27.527       1.41113   27.4049      1.40402   119.568     358.267     7.69924     358.267     
1 1 1 11 16 6  f 284.118 2.32924 147.788      3.42897   149.131      3.43177   207.23      136.538     0           0           
1 1 1 11 16 7  o 82.4046 2.2612  13.0045      0.972242  12.0168      0.955292  91.4435     273.627     35.3784     273.627     
1 1 1 11 16 8  o 57.3071 2.44785 6.41852      0.757414  5.72244      0.690608  19.281      127.501     64.1795     307.501     
1 1 1 11 16 9  o 47.2395 2.78693 3.71281      0.673133  4.59254      0.672681  34.1395     43.2192     0.605832    43.2191     
1 1 1 11 16 10 o 113.303 2.29511 24.0879      1.304     23.1974      1.38591   107.828     324.542     3.09354     324.542     
1 1 1 11 16 11 o 134.135 2.20967 34.4244      1.54516   31.8065      1.52649   112.955     242.365     28.4269     62.3645     
1 1 1 11 16 12 o 63.4264 2.37192 7.12874      0.778497  7.73366      0.77442   49.2957     96.1597     13.6628     276.16      
1 1 1 11 16 13 o 93.5903 2.25225 17.4002      1.10142   14.9357      1.07752   104.058     199.971     36.2969     199.971     
1 1 1 11 16 14 o 108.162 2.22675 22.0409      1.25595   21.087       1.23819   74.2761     187.583     55.4109     7.58323     
1 1 1 11 16 15 o 46.2085 2.6072  3.89948      0.624888  4.03228      0.613319  15.725      124.043     50.2665     304.043     
1 1 1 11 16 16 f 120.535 2.42527 26.393       1.52096   27.263       1.50598   108.725     121.738     0           0           
1 1 1 11 16 17 o 29.6693 3.62496 1.29362      0.533906  2.11905      0.523941  15.3701     187.32      13.1805     7.32005     
1 1 1 11 16 18 o 29.7229 3.1617  1.53062      0.472799  1.82839      0.467687  14.1767     223.744     19.7053     43.7441     
1 1 1 11 16 19 o 65.3225 2.3805  7.66811      0.802696  8.1498       0.803391  72.5817     260.735     26.6536     260.735     
1 1 1 11 16 20 o 51.7485 2.61652 4.18141      0.672443  5.86377      0.712168  43.8376     346.193     5.23482     166.193     
1 1 1 11 16 21 o 52.7342 3.10595 5.15799      0.726971  5.27979      0.942053  50.3693     277.998     6.80423     277.998     
1 1 1 11 16 22 o 59.8275 3.02658 6.37615      0.803434  7.05231      1.05404   56.1222     296.651     4.09291     296.651     
1 1 1 11 16 23 o 14.3043 3.75241 0.177537     0.381966  0.409574     0.370407  2.55479     103.157     13.1316     103.157     
1 1 1 11 16 24 o 16.8289 4.09657 0.89551      0.545244  0.0857659    0.373194  0.290917    184.869     18.2576     184.869     
1 1 1 11 16 25 o 71.5314 2.56686 9.47527      0.989491  9.65661      0.904776  73.1905     326.894     15.8915     326.894     
1 1 1 11 16 26 o 39.2707 2.90242 2.89895      0.580441  2.95273      0.583767  27.9641     104.007     13.3201     284.007     
1 1 1 11 16 27 o 28.9405 3.56208 1.5265       0.518556  1.75466      0.50955   10.6987     69.3891     28.6503     249.389     
1 1 1 11 16 28 o 48.0176 2.91055 3.99506      0.680945  4.78998      0.754256  49.4295     215.031     13.5053     215.031     
1 1 1 11 16 29 o 50.8318 3.35494 4.84307      0.880723  5.11382      0.865617  51.9823     18.1609     13.1642     18.1609     
1 1 1 11 16 30 o 30.6636 3.86004 1.63427      0.594001  2.11909      0.582473  20.1644     70.5718     12.9724     250.572     
1 1 1 11 16 31 o 64.0985 2.90333 8.04797      0.936747  7.6111       0.979804  56.7469     88.6667     2.14796     268.667     
1 1 1 11 16 32 o 32.2333 3.48114 2.00908      0.556515  2.09077      0.569958  27.1522     357.478     1.17944     177.478     
1 1 1 11 16 33 o 30.74   3.77318 2.80407      0.576239  1.14641      0.548823  23.3108     36.6106     6.0083      216.611     
1 1 1 11 16 34 o 28.3186 3.82989 1.83019      0.552137  1.44263      0.53075   18.789      54.173      10.4682     234.173     
1 1 1 11 16 35 o 15.4756 3.48676 -0.68954     0.439911  1.01031      0.442426  5.95561     142.828     9.79943     322.828     
1 1 1 11 16 36 o 24.5961 4.35823 0.702246     0.566503  1.91677      0.609423  20.5354     283.399     2.14114     283.399     
1 1 1 11 16 37 o 23.5492 4.56174 1.20779      0.587407  1.20079      0.559184  22.128      155.498     10.4963     155.498     
1 1 1 11 16 38 o 28.9646 4.16967 1.85396      0.606183  1.72563      0.603289  24.2183     67.2204     0.394527    67.2204     
1 1 1 11 16 39 o 34.7828 3.74912 2.85738      0.679165  2.20409      0.627047  31.957      40.6425     5.18263     40.6425     
1 1 1 11 16 40 o 47.9105 3.08373 4.04635      0.741969  5.22045      0.763877  41.9962     192.172     1.52437     192.171     
1 1 1 11 16 41 o 23.7503 4.35086 0.838525     0.556675  1.77217      0.572519  18.4922     129.823     1.10705     309.823     
1 1 1 11 16 42 f 16.1501 3.63784 1.30113      0.520145  -0.853954    0.464017  8.69295     331.425     0           0           
1 1 1 11 16 43 o 10.514  3.45167 -0.251968    0.441751  -0.198919    0.460475  1.00191     150.497     6.97995     330.497     
1 1 1 11 16 44 o 21.5442 4.66665 1.66212      0.624253  0.669672     0.597274  16.6031     159.613     1.631       159.613     
1 1 1 11 16 45 f 9.33542 3.16651 -1.04913     0.443144  -0.0980084   0.461842  6.02175     142.432     0           0           
1 1 1 11 16 46 o 13.073  3.91506 -0.498765    0.519453  0.614861     0.511194  2.56576     281.6       11.9591     101.6       
1 1 1 11 16 47 o 19.9678 4.80502 1.35543      0.611415  0.824785     0.610625  12.3484     84.3907     3.70418     264.391     
1 1 1 11 16 48 o 11.1915 3.77623 -0.348257    0.537243  -0.330226    0.674418  0.47941     100.267     4.49437     280.267     
1 1 1 11 16 49 o 10.8416 3.71083 -0.144873    0.660884  -1.03136     0.620003  0.52645     143.77      4.04281     323.77      
1 1 1 11 16 50 o 14.2007 4.36947 0.525971     0.612904  0.242541     0.595017  5.31496     121.434     1.91282     301.434     
1 1 1 11 16 51 o 9.80634 3.36124 -0.288311    0.540258  -0.748806    0.520108  0.561274    136.851     4.89128     316.851     
1 1 1 11 17 0  o 193.69  2.21678 68.9396      2.22436   68.9396      2.22436   226.511     90          79.2715     90          
1 1 1 11 17 1  o 123.327 2.23819 27.9165      1.42903   28.0856      1.43025   132.131     41.1741     33.1745     41.1742     
1 1 1 11 17 2  o 52.3581 2.49802 5.20231      0.673425  4.94178      0.67419   40.3167     65.9921     3.26293     245.992     
1 1 1 11 17 3  o 68.8213 2.34676 9.10023      0.833896  8.38322      0.834416  61.7323     29.2592     2.30062     29.2593     
1 1 1 11 17 4  o 83.5375 2.26235 13.2879      0.985202  12.4402      0.970106  65.1131     240.641     23.4134     60.6411     
1 1 1 11 17 5  o 93.2661 2.23665 16.5729      1.08314   15.4871      1.07565   104.3       19.4944     38.6331     19.4944     
1 1 1 11 17 6  f 103.608 2.20614 19.2388      1.18122   20.3117      1.18518   86.417      298.257     0           0           
1 1 1 11 17 7  o 26.5309 3.39312 1.19056      0.415459  1.50246      0.484604  9.12453     291.183     53.6631     291.183     
1 1 1 11 17 8  o 32.8763 3.03495 2.24883      0.469707  1.8231       0.525501  4.17946     314.333     40.7705     134.333     
1 1 1 11 17 9  o 31.2387 3.56818 1.83578      0.559587  1.87287      0.556551  4.98078     134.582     34.8055     314.582     
1 1 1 11 17 10 o 31.21   3.4263  1.71627      0.512684  1.983        0.56032   8.60059     241.499     26.8359     61.4992     
1 1 1 11 17 11 o 52.4257 2.65028 4.43534      0.699568  5.8109       0.723913  47.467      322.913     5.21424     322.913     
1 1 1 11 17 12 o 87.2049 2.44934 13.749       1.10114   14.3604      1.10857   88.184      271.758     14.8673     271.758     
1 1 1 11 17 13 o 68.6317 2.43133 8.22231      0.811281  9.22397      0.913839  41.283      213.379     44.5779     33.3793     
1 1 1 11 17 14 o 149.032 2.33088 42.5546      1.71642   39.4635      1.87341   151.73      203.751     21.6424     203.751     
1 1 1 11 17 15 o 37.8799 2.66669 2.77603      0.519204  2.58856      0.513753  26.4827     304.203     11.9348     124.203     
1 1 1 11 17 16 o 73.9354 2.99246 10.707       0.96623   9.67519      1.27543   60.4456     186.563     16.0235     6.56347     
1 1 1 11 17 17 o 60.0958 2.57477 6.12754      0.794055  7.32675      0.797718  51.8322     331.383     5.73362     151.383     
1 1 1 11 17 18 o 38.4356 2.7338  2.71707      0.544164  2.82254      0.529752  27.7323     67.8843     10.4436     247.884     
1 1 1 11 17 19 o 53.5559 2.96484 6.46988      0.938721  4.3838       0.700131  50.3174     242.455     5.12601     242.455     
1 1 1 11 17 20 o 13.8757 3.39953 0.630698     0.370577  -0.110857    0.306632  10.1558     260.253     35.149      260.253     
1 1 1 11 17 21 f 42.9039 2.67395 3.27676      0.588214  3.63387      0.587528  26.2039     4.3352      0           0           
1 1 1 11 17 22 o 68.3171 2.41695 9.00409      0.860015  8.39695      0.845993  66.251      141.315     8.11015     141.315     
1 1 1 11 17 23 o 62.3959 2.45311 7.17501      0.788507  7.37436      0.792016  52.0203     254.072     9.4587      74.0722     
1 1 1 11 17 24 f 40.3973 2.85636 2.93509      0.590094  3.25311      0.588544  29.5675     92.4548     0           0           
1 1 1 11 17 25 o 12.2397 3.34467 -0.392327    0.356872  0.448605     0.351465  0.655867    96.5167     7.98115     96.5167     
1 1 1 11 17 26 o 29.3402 3.33927 1.86502      0.498341  1.49816      0.480502  27.7844     313.328     8.0427      313.328     
1 1 1 11 17 27 o 70.7592 2.49769 8.68807      0.910317  10.1737      0.911584  79.2132     158.86      30.4121     158.86      
1 1 1 11 17 28 o 44.4121 3.03672 3.57832      0.714021  3.98006      0.659792  44.8096     12.2774     10.9787     12.2774     
1 1 1 11 17 29 o 20.7525 4.48211 1.06892      0.504972  0.626379     0.582469  11.4194     159.717     10.2931     339.717     
1 1 1 11 17 30 o 49.3423 3.47971 4.76242      0.900072  4.73175      0.8556    33.1676     140.025     21.8015     320.025     
1 1 1 11 17 31 o 54.627  3.14973 5.89997      0.945126  5.64543      0.820341  45.8508     153.119     5.60601     333.119     
1 1 1 11 17 32 o 62.875  2.6654  6.60162      0.852966  8.55713      0.865871  65.1746     67.1566     18.6634     67.1566     
1 1 1 11 17 33 o 13.2525 3.74897 -0.180477    0.414643  0.444913     0.422772  0.80015     245.564     16.4262     65.5642     
1 1 1 11 17 34 o 25.8326 3.99932 1.07954      0.521798  1.71726      0.52629   22.9587     158.507     4.6292      158.507     
1 1 1 11 17 35 o 61.5074 2.79795 6.96544      0.903742  7.68484      0.866292  64.0716     215.022     20.3744     215.022     
1 1 1 11 17 36 o 25.9285 4.29855 2.05667      0.603031  0.888214     0.575457  18.8271     199.532     4.8654      19.5319     
1 1 1 11 17 37 o 12.6517 3.98246 -0.020495    0.516299  -0.102042    0.537895  3.55084     85.7193     2.30968     265.719     
1 1 1 11 17 38 o 9.84549 3.25851 -0.278926    0.41595   -0.358837    0.415485  0.113524    163.052     9.14475     343.052     
1 1 1 11 17 39 o 55.0939 2.93343 5.91056      0.826925  6.22558      0.835977  64.4181     177.801     34.5486     177.801     
1 1 1 11 17 40 o 18.099  4.4479  0.530269     0.512427  0.922699     0.527347  10.6881     309.395     6.1369      129.395     
1 1 1 11 17 41 o 14.7882 4.20204 0.476473     0.498715  0.270977     0.491685  6.72071     179.511     6.42451     359.511     
1 1 1 11 17 42 f 30.1494 4.16935 2.29684      0.63023   1.87431      0.625273  15.2644     59.5002     0           0           
1 1 1 11 17 43 o 11.3859 3.65709 0.166799     0.491056  -0.460879    0.478483  0.876963    140.316     1.19439     320.316     
1 1 1 11 17 44 o 13.111  3.95836 0.520388     0.513822  -0.26611     0.497169  4.32531     91.6644     6.15807     271.664     
1 1 1 11 17 45 o 12.6742 3.94941 -0.1187      0.508551  0.326566     0.520087  2.61854     120.718     1.12352     300.718     
1 1 1 11 17 46 o 22.5711 4.93741 1.38785      0.631209  1.43409      0.6416    17.8119     70.426      4.02253     70.426      
1 1 1 11 17 47 o 15.5996 4.56254 0.6795       0.631393  0.440756     0.571465  6.18979     336.361     4.47009     156.361     
1 1 1 11 17 48 o 26.2632 4.95116 1.27859      0.70646   2.6976       0.752812  23.0186     175.501     7.96238     175.501     
1 1 1 11 17 49 o 16.4133 4.75871 0.933267     0.623746  0.484461     0.716444  7.42162     256.218     1.93033     256.218     
1 1 1 11 17 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 18 0  o 11.3497 4.2929  0.341327     0.345198  0.341327     0.345198  4.18698     270         9.94249     270         
1 1 1 11 18 1  o 178.128 2.22962 59.224       2.06081   57.689       2.05638   193.601     160.928     49.5608     160.928     
1 1 1 11 18 2  o 27.8391 3.28069 1.93604      0.455907  1.0702       0.44019   7.06212     317.819     5.94134     137.819     
1 1 1 11 18 3  o 88.1525 2.27425 13.3467      1.03445   15.3669      1.03666   78.5348     238.72      6.51699     58.7198     
1 1 1 11 18 4  o 133.197 2.18736 32.6446      1.51199   32.723       1.50847   151.682     126.8       52.9532     126.8       
1 1 1 11 18 5  o 14.6534 3.44403 0.555751     0.308436  0.110911     0.351121  4.04853     91.7983     12.2346     91.7983     
1 1 1 11 18 6  o 136.116 2.47816 33.2851      1.64035   35.1444      1.85316   133.539     122.628     10.3028     122.628     
1 1 1 11 18 7  o 58.2394 3.09471 6.48272      0.925163  6.16259      0.929068  50.2302     354.127     4.26422     174.127     
1 1 1 11 18 8  o 135.405 2.71237 33.8436      1.89603   34.0309      1.90768   147.609     23.7097     40.1823     23.7097     
1 1 1 11 18 9  o 61.306  3.46109 7.9435       1.09649   6.18735      1.07343   51.0309     105.358     10.0325     285.358     
1 1 1 11 18 10 o 29.1422 4.51646 2.20806      0.62197   1.1255       0.721684  15.7842     115.117     5.05922     115.117     
1 1 1 11 18 11 o 23.8609 4.2272  1.80601      0.585358  0.399582     0.562521  9.38292     244.129     8.33718     64.1294     
1 1 1 11 18 12 o 58.4683 3.10912 6.95838      0.929159  5.8477       0.935019  27.7589     261.68      51.9975     81.6802     
1 1 1 11 18 13 o 72.7519 2.94114 9.48574      1.09572   10.253       1.11262   68.8126     325.977     3.94272     325.977     
1 1 1 11 18 14 o 53.6183 3.18307 4.7678       0.861942  6.06191      0.882721  41.4728     84.6783     13.701      264.678     
1 1 1 11 18 15 o 44.4755 3.42589 3.21397      0.758439  4.31258      0.783686  40.3942     196.901     3.99104     196.901     
1 1 1 11 18 16 o 88.2127 3.27493 14.7441      1.50021   14.4458      1.48428   87.2722     348.186     11.8507     348.186     
1 1 1 11 18 17 o 85.8218 2.85854 12.3608      1.27588   15.226       1.24568   80.8597     241.736     3.67393     241.736     
1 1 1 11 18 18 f 78.0615 2.56653 11.4971      0.969012  11.2155      1.09625   77.0847     359.241     0           0           
1 1 1 11 18 19 o 107.568 2.4121  20.1895      1.32572   22.905       1.35857   90.9873     2.59523     17.1128     182.595     
1 1 1 11 18 20 o 90.3869 2.31535 14.841       1.08503   15.5741      1.08038   87.7754     307.751     9.42837     307.751     
1 1 1 11 18 21 o 53.2856 2.53256 5.25764      0.694807  5.38777      0.696038  56.3866     133.735     17.9405     133.735     
1 1 1 11 18 22 o 75.6711 2.37411 10.8009      0.930391  10.5983      0.927414  72.8551     26.6465     7.64783     26.6465     
1 1 1 11 18 23 o 61.7923 2.47962 6.91245      0.789605  7.42364      0.791597  58.5818     43.805      5.41318     43.805      
1 1 1 11 18 24 o 97.8305 2.37773 18.4424      1.21104   17.4135      1.19654   91.9866     24.2729     5.14443     24.2729     
1 1 1 11 18 25 o 31.7684 3.11706 1.93988      0.499958  1.96083      0.498996  35.8326     333.534     26.9953     333.534     
1 1 1 11 18 26 o 54.2213 2.61808 5.21605      0.727988  5.90975      0.732749  41.915      121.35      13.7705     301.35      
1 1 1 11 18 27 o 34.6605 3.48895 1.95406      0.614075  2.7815       0.577945  20.9796     61.1353     18.9543     241.135     
1 1 1 11 18 28 o 16.2532 3.98082 0.75072      0.451983  0.161636     0.411553  8.33896     345.232     3.99618     165.232     
1 1 1 11 18 29 o 19.282  4.09891 0.998828     0.467912  0.494962     0.444399  13.8606     142.263     1.07202     142.263     
1 1 1 11 18 30 o 14.4392 3.94395 0.0519017    0.438064  0.487763     0.431935  4.44602     166.2       9.76314     346.2       
1 1 1 11 18 31 o 34.2151 4.14962 1.91818      0.673146  2.93456      0.738535  29.2605     82.4007     0.176812    82.4006     
1 1 1 11 18 32 o 8.96152 2.98463 -0.876779    0.463705  -0.13458     0.30709   3.119       206.609     13.8979     206.609     
1 1 1 11 18 33 o 12.8429 3.70303 -0.221785    0.418042  0.399488     0.416149  2.8243      164.811     2.8931      344.811     
1 1 1 11 18 34 o 58.8957 2.74278 6.83887      0.833956  6.59661      0.831227  54.475      324.359     6.04767     324.359     
1 1 1 11 18 35 o 39.9709 3.27302 2.87531      0.664084  3.54737      0.657965  33.8484     286.345     0.82654     106.345     
1 1 1 11 18 36 o 13.1961 3.91243 0.319089     0.471321  -0.0395545   0.445198  4.1622      58.6024     0.728557    238.602     
1 1 1 11 18 37 o 19.6869 4.81041 0.808404     0.645938  0.916301     0.55687   16.3028     93.7626     6.5365      93.7626     
1 1 1 11 18 38 o 21.5145 4.93158 0.87411      0.609229  1.33886      0.660815  12.7777     215.496     8.60792     35.4961     
1 1 1 11 18 39 o 16.8597 4.36337 0.254524     0.513652  0.898572     0.53252   11.1118     347.908     0.979775    167.908     
1 1 1 11 18 40 o 22.611  4.32572 0.724848     0.53975   1.70089      0.562525  21.2747     231.85      11.4991     231.85      
1 1 1 11 18 41 o 11.6076 4.96249 0.111214     0.374604  -1.72712     0.362006  0.441499    277.716     10.9245     97.7155     
1 1 1 11 18 42 o 28.3597 4.67515 2.01503      0.665308  1.97199      0.683969  25.2247     171.153     6.0083      171.153     
1 1 1 11 18 43 o 22.2527 4.7885  1.1562       0.607806  1.44375      0.604046  13.398      259.312     7.41298     79.3123     
1 1 1 11 18 44 o 27.9564 4.64409 1.87711      0.656441  2.12205      0.667782  24.4977     145.148     5.92594     145.148     
1 1 1 11 18 45 o 16.4929 4.55084 0.748522     0.561042  0.597216     0.566483  7.93057     242.755     4.00105     62.7553     
1 1 1 11 18 46 o 23.4919 4.74189 1.93591      0.63449   1.07838      0.633401  18.5928     218.063     4.31187     218.063     
1 1 1 11 18 47 o 14.2403 4.33634 0.0432593    0.598972  0.628946     0.595046  0.928276    181.467     0.043217    1.46705     
1 1 1 11 18 48 o 11.387  3.76344 -0.17197     0.542679  -0.0752419   0.559143  1.46067     282.168     8.04564     102.168     
1 1 1 11 18 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 19 0  f 27.2819 3.61503 1.50965      0.458705  1.50965      0.458705  64.0216     270         0           0           
1 1 1 11 19 1  o 96.5881 2.23911 17.7019      1.12187   16.7839      1.11675   115.53      1.7447      52.1684     1.7447      
1 1 1 11 19 2  f 78.0486 2.56729 11.6483      0.926028  10.9464      1.12766   63.5803     354.505     0           0           
1 1 1 11 19 3  o 35.5336 3.32833 2.45548      0.504446  2.32555      0.670387  29.8161     147.258     3.07737     147.258     
1 1 1 11 19 4  f 106.16  2.50851 20.1442      1.28807   21.6121      1.46793   95.7979     316.752     0           0           
1 1 1 11 19 5  o 87.2828 2.81249 14.1163      1.25581   14.2004      1.28238   65.567      283.124     31.2938     103.124     
1 1 1 11 19 6  o 73.5025 2.88231 10.3675      1.09641   9.75563      1.09071   78.7992     191.37      23.2991     191.37      
1 1 1 11 19 7  o 57.6299 3.00538 6.03074      0.87777   6.38664      0.905208  38.8575     17.931      27.2531     197.931     
1 1 1 11 19 8  o 23.9277 4.30375 0.804266     0.522684  1.45435      0.566673  9.70267     154.019     9.81313     334.019     
1 1 1 11 19 9  o 87.0235 3.09967 13.2025      1.44859   15.1164      1.32123   76.777      60.2028     7.47357     240.203     
1 1 1 11 19 10 o 34.1326 4.42197 2.81514      0.747108  1.77832      0.747543  17.2699     248.248     23.1018     68.2477     
1 1 1 11 19 11 o 44.1489 3.37813 4.22668      0.757383  3.18615      0.750555  49.7005     272.553     30.0929     272.553     
1 1 1 11 19 12 o 87.0705 2.84964 15.203       1.28856   13.1265      1.27244   87.6481     329.957     15.1794     329.957     
1 1 1 11 19 13 o 64.121  3.02877 7.41301      0.992273  8.01587      1.00893   65.8727     336.586     16.3051     336.586     
1 1 1 11 19 14 o 37.7547 3.8334  3.34596      0.719347  2.20241      0.711831  31.0579     188.775     1.29124     8.7753      
1 1 1 11 19 15 o 100.586 2.97688 19.704       1.47128   18.2263      1.61454   103.44      337.261     21.6231     337.261     
1 1 1 11 19 16 o 19.2082 4.94894 1.03213      0.684448  -0.0607155   0.714678  4.40107     342.616     13.169      162.616     
1 1 1 11 19 17 o 28.2812 4.79459 2.57392      0.80385   0.754523     0.674055  12.2592     113.448     22.4075     293.448     
1 1 1 11 19 18 o 43.4833 3.55474 4.08439      0.785847  3.2093       0.776814  36.0262     108.203     4.5696      288.203     
1 1 1 11 19 19 o 20.2141 4.54805 0.578331     0.540273  0.993175     0.550894  7.1929      50.2768     1.16612     50.2768     
1 1 1 11 19 20 f 75.5381 3.00153 12.2847      1.0864    9.4095       1.21425   58.0385     106.192     0           0           
1 1 1 11 19 21 o 47.2167 2.83042 3.70808      0.639196  4.78785      0.733491  31.9333     298.333     20.7621     118.333     
1 1 1 11 19 22 o 31.9952 3.29579 2.41064      0.577395  1.60624      0.482007  21.4343     345.823     12.5611     165.823     
1 1 1 11 19 23 o 100.746 2.35955 19.1875      1.23138   18.855       1.2296    104.265     46.6555     25.4017     46.6555     
1 1 1 11 19 24 o 25.9894 3.54936 1.67228      0.464857  1.03459      0.45389   24.6084     37.2134     7.45358     37.2134     
1 1 1 11 19 25 o 50.7624 2.64009 5.04641      0.697049  4.72959      0.682433  38.1528     319.47      14.359      139.47      
1 1 1 11 19 26 o 34.4974 3.3362  2.61113      0.605683  2.062        0.55452   36.4091     351.413     14.3595     351.413     
1 1 1 11 19 27 o 33.1799 3.43265 2.25916      0.583297  2.08805      0.562486  28.7561     167.493     0.735153    167.493     
1 1 1 11 19 28 o 12.6942 3.4886  -0.298924    0.374452  0.477384     0.374917  2.75864     93.3635     4.10009     273.363     
1 1 1 11 19 29 o 18.3239 3.98032 0.343514     0.425958  0.986435     0.451315  8.97347     188.371     9.83504     8.37068     
1 1 1 11 19 30 o 19.8653 4.1796  0.512914     0.483418  1.10375      0.480962  13.9944     248.859     6.58572     248.859     
1 1 1 11 19 31 o 42.2886 3.12196 3.0695       0.646404  3.98703      0.697988  44.4753     165.478     16.6229     165.478     
1 1 1 11 19 32 o 63.2478 2.85909 7.96473      0.877749  7.57659      0.979867  56.1524     119.446     1.64108     119.446     
1 1 1 11 19 33 o 48.884  3.39079 4.0752       0.827966  5.56862      0.851491  53.5076     70.7275     23.1519     70.7275     
1 1 1 11 19 34 o 47.6361 3.0228  3.96264      0.729898  5.07219      0.73692   41.6785     288.782     1.30512     288.782     
1 1 1 11 19 35 o 55.4568 2.93863 5.33309      0.823775  6.9275       0.842792  62.2559     204.969     29.4143     204.969     
1 1 1 11 19 36 o 28.6966 4.47939 1.33786      0.633899  2.44534      0.681117  22.5778     222.985     2.08305     42.9851     
1 1 1 11 19 37 o 36.7042 3.81469 2.61838      0.69723   3.18948      0.704536  33.5126     130.347     5.59073     130.347     
1 1 1 11 19 38 o 34.7677 4.2002  2.44921      0.76527   2.97587      0.675045  34.7348     4.16079     12.5579     4.16079     
1 1 1 11 19 39 o 19.0526 4.7363  1.05931      0.57064   0.674899     0.61812   13.2375     160.295     0.0754333   160.296     
1 1 1 11 19 40 o 30.3341 4.55047 2.45345      0.656948  1.97714      0.729885  24.8797     46.4625     1.14517     46.4624     
1 1 1 11 19 41 o 21.6831 4.72473 0.979756     0.578497  1.4471       0.604721  18.5314     190.22      7.55815     190.22      
1 1 1 11 19 42 f 21.1668 3.89461 -0.110919    0.559859  2.13355      0.592166  9.13274     7.54877     0           0           
1 1 1 11 19 43 o 13.5076 3.97366 0.652057     0.505298  -0.259989    0.501002  2.007       358.54      0.470389    178.54      
1 1 1 11 19 44 o 22.9965 4.60626 1.95663      0.622487  0.888208     0.60675   17.5007     80.8572     10.4425     80.8572     
1 1 1 11 19 45 o 13.4047 4.12866 0.196387     0.542169  0.299878     0.535203  2.39475     300.109     1.55273     120.109     
1 1 1 11 19 46 o 10.91   3.64315 -0.528087    0.583667  -0.0541855   0.518528  0.905112    341.918     5.27441     161.918     
1 1 1 11 19 47 o 15.0527 4.29332 -0.40017     0.576169  1.1344       0.619215  7.29712     344.238     1.8364      164.238     
1 1 1 11 19 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 20 0  o 32.0886 3.49372 2.03539      0.540196  2.03539      0.540196  30.7148     90          14.5131     90          
1 1 1 11 20 1  o 39.9681 2.99584 3.07075      0.548043  2.94791      0.664119  30.8708     199.41      6.57683     19.4103     
1 1 1 11 20 2  o 105.841 2.73282 23.018       1.23964   18.7816      1.66417   102.35      149.983     8.80281     149.983     
1 1 1 11 20 3  o 67.0989 3.20764 9.4011       1.04271   7.5509       1.14845   65.1934     343.953     8.90205     343.953     
1 1 1 11 20 4  o 81.3056 2.86642 12.1016      1.2036    12.583       1.20456   77.0549     351.876     5.08052     351.876     
1 1 1 11 20 5  o 52.7334 3.40189 4.92016      0.961023  5.60068      0.86403   39.5014     74.079      15.3456     254.079     
1 1 1 11 20 6  o 72.2448 3.55555 10.1033      1.52743   9.61697      1.08698   71.4753     12.9075     11.7245     12.9075     
1 1 1 11 20 7  o 28.4244 4.93641 0.945777     0.913301  2.1709       0.621116  16.7495     352.491     9.33026     172.491     
1 1 1 11 20 8  o 55.1887 3.10281 6.07447      0.881462  5.40124      0.876854  42.8837     14.3272     13.3853     194.327     
1 1 1 11 20 9  o 54.2172 3.36574 6.19595      1.00801   4.96741      0.866308  59.2547     232.329     23.3931     232.329     
1 1 1 11 20 10 f 67.0564 3.34549 8.26573      1.14519   8.73108      1.16539   41.5527     251.479     0           0           
1 1 1 11 20 11 o 75.3194 2.93697 10.3301      1.13634   10.973       1.1476    84.5617     83.2701     32.6778     83.2701     
1 1 1 11 20 12 o 85.6493 2.88291 14.2439      1.27724   13.2957      1.27415   80.1029     176.374     3.44205     176.374     
1 1 1 11 20 13 o 34.0627 4.15527 2.58167      0.666117  1.9951       0.733374  30.8826     26.0024     6.13371     26.0024     
1 1 1 11 20 14 o 33.3308 4.33794 2.21225      0.698572  2.19573      0.744533  27.7135     157.258     0.0753752   337.258     
1 1 1 11 20 15 o 51.4306 3.6462  4.19198      0.91044   6.06914      0.992531  54.1923     106.229     17.375      106.229     
1 1 1 11 20 16 o 72.4043 3.61335 10.0908      1.40349   10.029       1.28869   58.2744     278.432     15.0909     98.4325     
1 1 1 11 20 17 o 95.7363 3.13289 17.0673      1.62924   17.7325      1.46248   101.29      40.4341     28.1456     40.4341     
1 1 1 11 20 18 o 59.3499 3.19219 6.72003      0.970921  6.73755      0.978463  53.3115     276.524     0.144175    96.5237     
1 1 1 11 20 19 o 22.8598 4.72976 1.12993      0.602015  1.00033      0.590999  15.0519     341.088     5.5858      161.088     
1 1 1 11 20 20 o 49.2532 3.42953 4.93207      0.864167  4.44318      0.862125  37.1485     352.818     13.7418     172.818     
1 1 1 11 20 21 o 10.2149 3.37742 -0.54485     0.440951  -0.271602    0.452341  3.8578      203.923     19.3344     203.923     
1 1 1 11 20 22 o 40.6816 3.87704 2.935        0.782053  3.61921      0.80548   40.5216     99.2976     10.2111     99.2976     
1 1 1 11 20 23 o 25.8127 4.25643 1.59123      0.459937  1.11096      0.673999  26.0832     11.6274     14.77       11.6274     
1 1 1 11 20 24 o 48.6399 2.76856 5.33287      0.707772  3.77416      0.665788  48.0001     40.9718     10.4052     40.9718     
1 1 1 11 20 25 f 10.7087 2.98641 0.390565     0.317878  -0.383645    0.252219  3.50424     48.7391     0           0           
1 1 1 11 20 26 o 56.9603 2.72894 5.96883      0.801253  6.46225      0.799524  54.9974     47.1216     9.60807     47.1216     
1 1 1 11 20 27 o 41.6436 3.10024 3.52766      0.671623  3.24398      0.646658  45.9442     306.292     20.7223     306.292     
1 1 1 11 20 28 o 60.5929 2.69718 6.64192      0.818635  7.47902      0.866992  65.7519     129.825     25.5386     129.825     
1 1 1 11 20 29 f 11.9231 3.55147 -0.155246    0.407379  0.227195     0.369387  10.5172     328.861     0           0           
1 1 1 11 20 30 o 22.9247 4.43531 1.11697      0.530436  1.14791      0.554096  15.1959     279.098     6.12102     99.0982     
1 1 1 11 20 31 o 23.6853 4.10508 1.28062      0.505637  1.12027      0.495378  22.0553     205.495     8.2553      205.495     
1 1 1 11 20 32 o 25.1458 4.10135 1.29318      0.520933  1.4291       0.526918  21.8969     289.213     3.6892      289.213     
1 1 1 11 20 33 o 22.3178 4.38402 1.10356      0.530724  1.11545      0.51992   19.7866     203.486     5.89353     203.486     
1 1 1 11 20 34 o 18.3729 4.65974 0.57074      0.592012  0.872462     0.553657  9.56149     296.554     5.76159     296.554     
1 1 1 11 20 35 o 37.6033 4.10446 4.26134      0.794647  2.08563      0.706652  35.3488     10.0582     7.81311     10.0582     
1 1 1 11 20 36 o 34.5686 4.64345 3.5371       0.92558   2.11459      0.686456  35.1555     144.418     14.0063     144.418     
1 1 1 11 20 37 o 22.5002 4.84037 1.82059      0.712807  0.754311     0.563196  17.3351     342.136     11.815      342.136     
1 1 1 11 20 38 o 24.9373 4.88239 1.70089      0.702871  1.44618      0.602899  12.873      197.844     13.8919     17.8438     
1 1 1 11 20 39 o 45.1246 4.17538 4.01182      0.982276  5.35335      0.848475  49.9013     12.9192     26.1188     12.9192     
1 1 1 11 20 40 o 25.606  5.52561 1.97658      0.855738  1.80162      0.747098  16.7313     221.217     6.4392      41.2172     
1 1 1 11 20 41 o 16.1854 4.7221  0.509527     0.721945  0.659979     0.581982  8.46441     154.249     0.0931058   154.249     
1 1 1 11 20 42 o 34.7953 4.86331 2.38011      0.891033  3.97265      0.78574   32.5457     187.389     10.7164     187.389     
1 1 1 11 20 43 o 15.268  4.4932  0.245838     0.66773   0.668657     0.554677  5.28694     223.19      6.99864     43.1896     
1 1 1 11 20 44 o 9.88371 3.40334 -0.713945    0.622256  -0.507415    0.497264  0.099374    326.49      3.63493     326.49      
1 1 1 11 20 45 f 11.2136 3.65685 -0.866386    0.530228  0.326285     0.531046  2.16629     223.591     0           0           
1 1 1 11 20 46 o 15.446  4.59105 0.330105     0.645503  0.792051     0.627241  6.98049     103.062     1.40007     103.062     
1 1 1 11 21 0  o 17.7521 4.42432 0.77028      0.369524  0.77028      0.369524  3.39611     270         4.35264     90          
1 1 1 11 21 1  o 80.8805 2.47575 11.9557      1.03502   12.4448      1.03567   88.2102     272.966     29.4183     272.966     
1 1 1 11 21 2  o 45.9022 3.22658 3.66637      0.749357  4.34957      0.76175   41.2254     345.382     2.03653     345.382     
1 1 1 11 21 3  o 50.9651 3.27906 4.80921      0.855134  5.05381      0.85805   53.2187     334.785     16.986      334.785     
1 1 1 11 21 4  o 59.9102 3.09615 7.51634      0.9582    6.07758      0.943907  64.0974     333.822     21.2929     333.822     
1 1 1 11 21 5  o 35.5843 3.84451 1.65051      0.641794  3.41954      0.682247  16.1198     29.47       29.7567     209.47      
1 1 1 11 21 6  o 11.4807 3.49079 0.202812     0.385977  -0.514626    0.432171  1.11468     315.154     4.524       315.154     
1 1 1 11 21 7  o 44.8109 3.52813 4.73661      0.788621  3.05247      0.785118  29.1199     262.685     21.3768     82.685      
1 1 1 11 21 8  o 39.8289 3.57252 3.58094      0.712843  2.57286      0.70985   28.109      143.269     13.5542     323.269     
1 1 1 11 21 9  o 54.7376 3.4991  5.04043      1.01133   6.46525      0.922429  47.9938     136.625     2.06018     316.625     
1 1 1 11 21 10 o 48.9702 4.37426 5.36163      0.960996  4.09795      1.1445    32.4251     251.342     22.7318     71.3419     
1 1 1 11 21 11 o 69.78   3.51743 9.19849      1.07925   9.44923      1.42433   68.8043     153.081     11.5327     153.081     
1 1 1 11 21 12 o 40.7788 4.69173 4.0794       0.829168  2.64682      1.00913   33.6024     16.0392     4.02388     196.039     
1 1 1 11 21 13 o 32.0841 4.62426 1.4717       0.657503  2.80113      0.84065   23.4243     185.41      7.70204     5.40969     
1 1 1 11 21 14 o 40.0955 4.09588 3.06572      0.783926  3.29269      0.869181  37.2646     139.352     4.83067     139.352     
1 1 1 11 21 15 o 52.3891 3.34404 5.49101      0.885984  5.06696      0.908052  40.523      10.2858     12.7189     190.286     
1 1 1 11 21 16 o 25.6832 5.61963 1.67271      0.932283  1.11207      0.72007   20.6862     255.824     0.80325     255.824     
1 1 1 11 21 17 o 20.4678 4.33249 -0.880033    0.831117  1.55213      0.586863  8.53991     287.848     16.0174     107.848     
1 1 1 11 21 18 o 42.8091 4.70775 3.32476      1.12518   4.11399      0.816432  31.9307     95.882      11.6252     275.882     
1 1 1 11 21 19 o 81.8091 3.64257 11.9965      1.6913    14.0135      1.30705   89.0012     163.174     31.3273     163.174     
1 1 1 11 21 20 o 29.7942 4.77306 2.62232      0.814011  1.18673      0.657643  17.117      295.886     16.6976     115.886     
1 1 1 11 21 21 f 37.6764 4.34516 2.74764      0.869635  3.0292       0.756689  32.0208     86.441      0           0           
1 1 1 11 21 22 f 41.7589 3.88231 3.23299      0.809827  3.74798      0.827011  39.3746     31.7492     0           0           
1 1 1 11 21 23 o 31.4457 4.63445 2.34564      0.738462  1.82032      0.72446   28.0387     119.049     3.61219     119.049     
1 1 1 11 21 24 o 38.6551 4.45772 4.1381       0.897287  2.18609      0.798051  35.6996     172.907     5.3441      172.907     
1 1 1 11 21 25 o 30.8664 4.92301 1.71222      0.763853  2.42125      0.781384  32.8294     19.3265     16.7791     19.3265     
1 1 1 11 21 26 o 35.4236 3.41061 2.46111      0.573249  2.54277      0.644953  31.175      294.993     2.33267     294.993     
1 1 1 11 21 27 o 27.3514 3.71596 1.52454      0.511689  1.54242      0.503671  13.6749     80.9211     18.5136     260.921     
1 1 1 11 21 28 o 13.0074 3.65361 0.216729     0.380482  0.230723     0.355674  4.02982     149.92      5.31124     329.92      
1 1 1 11 21 29 o 27.2032 4.02615 1.39547      0.572201  1.74299      0.526177  20.5108     11.965      3.66228     191.965     
1 1 1 11 21 30 o 24.0547 4.16555 0.909929     0.510284  1.62558      0.54085   23.8898     151.258     12.1704     151.258     
1 1 1 11 21 31 o 30.2721 3.81519 1.63985      0.57585   2.25132      0.569706  18.2119     131.836     14.3224     311.836     
1 1 1 11 21 32 o 46.3371 3.11222 4.20724      0.746494  4.47343      0.728952  48.3699     154.78      18.2622     154.78      
1 1 1 11 21 33 o 18.11   4.34554 0.536868     0.507249  0.899702     0.488276  8.79431     210.749     10.3393     30.7494     
1 1 1 11 21 34 o 23.9484 4.37978 1.26936      0.555983  1.38554      0.540829  23.9374     65.441      13.8841     65.441      
1 1 1 11 21 35 o 16.5983 4.41648 0.988281     0.545594  -0.207807    0.676624  10.0851     357.253     1.8133      357.253     
1 1 1 11 21 36 o 18.2511 5.01073 0.897876     0.688393  0.692397     0.67202   10.9701     202.934     4.09919     202.934     
1 1 1 11 21 37 o 28.7775 4.49833 1.54025      0.696421  2.50219      0.628192  22.8503     49.1155     0.0666546   49.1145     
1 1 1 11 21 38 o 44.251  3.72186 4.951        0.800095  3.7853       0.841682  42.8985     357.281     13.2693     357.281     
1 1 1 11 21 39 o 11.5108 3.74489 0.0110527    0.532693  -0.229593    0.495725  2.04756     35.8466     4.45746     215.847     
1 1 1 11 21 40 o 14.2677 4.18227 0.628254     0.525597  0.0397114    0.530758  4.66275     45.0289     1.58715     225.029     
1 1 1 11 21 41 o 15.3511 4.33869 0.0362923    0.570008  0.876641     0.557466  5.42986     219.489     1.41135     39.4894     
1 1 1 11 21 42 o 8.20911 2.86951 -0.961077    0.432782  -0.585665    0.456138  1.25992     324.903     5.11519     324.903     
1 1 1 11 21 43 o 28.5568 4.65866 2.06984      0.684731  2.24892      0.667514  27.7955     266.902     14.2657     266.902     
1 1 1 11 21 44 o 15.1269 4.4881  0.452387     0.624186  0.605667     0.571999  7.16153     282.688     1.94189     102.688     
1 1 1 11 21 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 22 0  f 8.21585 3.63448 0.078842     0.318472  0.078842     0.318472  9.92847     270         0           0           
1 1 1 11 22 1  o 54.9177 3.04405 6.62253      0.849069  4.90032      0.852362  44.7869     13.2236     8.82498     193.224     
1 1 1 11 22 2  o 43.3368 3.3817  3.31961      0.733992  3.91748      0.757171  44.2043     343.266     13.0807     343.266     
1 1 1 11 22 3  o 15.7724 4.1439  0.522536     0.446649  0.226735     0.474502  2.61675     27.5061     2.04899     207.506     
1 1 1 11 22 4  o 34.3649 3.86418 2.53908      0.653652  2.1134       0.670853  28.503      149.289     23.4397     149.289     
1 1 1 11 22 5  o 38.0031 3.68699 2.89137      0.69955   2.74098      0.713686  17.146      8.43665     32.829      188.437     
1 1 1 11 22 6  o 90.6368 2.89496 15.123       1.34837   15.9471      1.36449   86.6701     296.568     8.9126      296.568     
1 1 1 11 22 7  o 25.8046 4.432   1.64135      0.585681  1.07352      0.601644  22.8749     30.0388     7.6281      30.0388     
1 1 1 11 22 8  o 65.8165 3.07495 7.68769      1.02778   8.82339      1.05635   61.5705     45.4285     4.81358     45.4286     
1 1 1 11 22 9  o 49.6979 3.46326 4.43616      0.832985  5.11045      0.929084  56.2112     214.463     25.2205     214.463     
1 1 1 11 22 10 f 14.5767 4.36523 -0.173735    0.51443   0.336179     0.637872  22.018      299.75      0           0           
1 1 1 11 22 11 o 28.3905 4.59735 1.11746      0.654291  2.23232      0.696234  21.7998     1.54765     3.85004     181.548     
1 1 1 11 22 12 o 26.7584 4.44931 2.08591      0.640025  0.883452     0.617994  24.4316     8.14701     5.77603     8.14701     
1 1 1 11 22 13 o 17.6761 4.4792  0.406794     0.52005   0.688255     0.531858  9.75904     174.682     1.79598     174.682     
1 1 1 11 22 14 o 31.3959 4.23306 2.37088      0.652126  1.63411      0.668835  19.1371     335.732     15.8636     155.732     
1 1 1 11 22 15 f 75.2975 3.33495 12.4181      1.20217   9.50434      1.34131   68.0244     51.9292     0           0           
1 1 1 11 22 16 o 28.9272 5.1655  1.59662      0.771806  1.96166      0.781826  20.1335     249.514     8.31848     69.5142     
1 1 1 11 22 17 o 20.3702 4.93113 0.804647     0.67622   0.828303     0.580444  14.5226     332.409     0.00669279  332.413     
1 1 1 11 22 18 o 38.0011 3.9272  2.59161      0.738804  3.2103       0.756685  28.5973     302.25      8.66144     122.25      
1 1 1 11 22 19 o 25.1912 4.67972 1.03782      0.623621  1.65306      0.634177  9.8432      183.328     22.4988     3.32804     
1 1 1 11 22 20 o 32.5173 4.43168 1.77461      0.709362  2.65167      0.726679  23.3535     135.09      8.52897     315.09      
1 1 1 11 22 21 o 13.8454 4.18201 0.00780704   0.526228  0.155208     0.53843   3.39925     202.233     10.0575     22.233      
1 1 1 11 22 22 o 36.5719 4.41674 2.65542      0.801696  2.91626      0.812121  27.4388     214.589     7.57637     34.589      
1 1 1 11 22 23 o 14.7478 4.48114 0.160781     0.570857  0.0385964    0.666475  5.49841     218.921     2.85237     38.9206     
1 1 1 11 22 24 o 23.8542 5.29603 1.76502      0.745458  0.642771     0.840251  20.9763     11.2292     7.18683     11.2292     
1 1 1 11 22 25 o 19.145  4.6912  1.37498      0.662096  -0.531166    0.776535  7.72179     97.6019     14.2741     277.602     
1 1 1 11 22 26 o 20.4187 5.24654 0.492093     0.635278  1.29635      0.822451  11.8572     84.3519     7.54201     264.352     
1 1 1 11 22 27 o 45.8451 4.48557 5.23725      0.929176  3.79385      1.07059   35.9177     114.572     6.63147     294.572     
1 1 1 11 22 28 o 26.9664 4.32923 2.70373      0.626692  0.493689     0.741148  14.2127     208.127     16.282      28.1272     
1 1 1 11 22 29 o 35.1543 3.50395 2.3912       0.629666  2.71918      0.606526  32.8003     181.365     6.94375     181.365     
1 1 1 11 22 30 o 14.819  3.97837 0.360876     0.4383    0.440062     0.40701   6.85155     264.56      6.96789     84.5598     
1 1 1 11 22 31 o 11.5593 3.4606  -0.339522    0.413088  0.311203     0.3699    2.28858     218.485     9.77964     38.485      
1 1 1 11 22 32 o 14.6084 4.08341 0.37733      0.475285  0.373394     0.439996  6.86796     88.675      0.748599    88.675      
1 1 1 11 22 33 o 16.4831 4.15765 0.99646      0.509247  0.0331823    0.498262  9.54447     187.963     2.58155     7.96278     
1 1 1 11 22 34 o 20.1756 4.62069 1.23825      0.536258  0.715982     0.624913  11.6019     219.391     7.07325     219.391     
1 1 1 11 22 35 o 44.799  4.18173 3.7199       0.890769  5.58506      0.980529  44.872      121.204     16.3086     121.204     
1 1 1 11 22 36 o 45.8803 3.59351 5.05824      0.841144  4.21555      0.831707  46.8746     184.696     18.6655     184.696     
1 1 1 11 22 37 o 14.4839 4.44082 0.73499      0.662961  -0.392594    0.661044  4.95236     104.371     0.0620762   104.371     
1 1 1 11 22 38 o 22.8685 4.89261 0.907272     0.74046   1.92629      0.647836  18.3424     117.317     4.71302     117.317     
1 1 1 11 22 39 o 22.7763 4.93933 1.30418      0.617688  1.57006      0.661358  17.9521     101.978     6.00298     101.978     
1 1 1 11 22 40 o 16.1236 4.55013 0.477465     0.574642  0.764895     0.581433  7.27532     233.113     2.32825     53.1134     
1 1 1 11 22 41 o 19.4197 4.96292 1.11327      0.630545  1.08108      0.652468  11.1191     248.683     5.27262     248.683     
1 1 1 11 22 42 o 8.13695 2.86574 -0.87882     0.516128  -0.873767    0.426774  0.935941    170.753     4.76276     170.753     
1 1 1 11 22 43 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 23 0  o 145.797 3.69434 40.1278      2.78386   40.1278      2.78386   147.663     90          30.8956     90          
1 1 1 11 23 1  o 18.088  4.35348 0.563885     0.535562  0.650205     0.447485  8.74729     267.204     9.35257     87.2037     
1 1 1 11 23 2  o 54.6402 3.08824 5.69708      0.867834  5.7143       0.86699   59.635      214.303     22.5828     214.303     
1 1 1 11 23 3  o 43.4867 3.49952 4.24971      0.762676  3.13005      0.767261  38.917      289.495     1.43452     289.495     
1 1 1 11 23 4  o 28.1991 4.3467  1.53403      0.599028  1.70149      0.636121  23.2601     318.754     0.369903    138.754     
1 1 1 11 23 5  o 15.8325 4.18685 0.163172     0.468239  0.585809     0.482706  7.30019     285.739     2.28136     105.739     
1 1 1 11 23 6  o 26.028  4.60683 1.41308      0.585006  1.37664      0.656313  25.8964     153.198     13.609      153.198     
1 1 1 11 23 7  o 68.3739 3.2627  7.67318      1.07387   10.3762      1.22283   62.6257     20.6168     3.11362     20.6168     
1 1 1 11 23 8  o 30.4139 4.52848 2.23706      0.682374  1.57087      0.702081  18.9172     133.154     14.1449     313.154     
1 1 1 11 23 9  o 19.6454 4.67128 0.948633     0.548606  0.501091     0.610436  11.1258     228.884     7.47545     48.884      
1 1 1 11 23 10 o 40.9927 4.40474 3.70724      0.942092  3.10116      0.870509  27.3304     177.895     17.0761     357.895     
1 1 1 11 23 11 o 19.0118 4.66858 0.312614     0.512193  1.05653      0.649261  12.2629     61.6865     1.88199     241.686     
1 1 1 11 23 12 o 23.0613 3.86221 2.19903      0.606854  -0.192243    0.569594  12.4228     267.62      12.9283     87.6204     
1 1 1 11 23 13 o 48.4821 3.44743 4.038        0.834082  5.18547      0.866627  49.73       227.942     14.9849     227.942     
1 1 1 11 23 14 o 12.2393 3.83629 -0.0241311   0.475845  -0.177744    0.494308  1.08485     142.757     1.91848     322.757     
1 1 1 11 23 15 o 31.5185 4.59233 1.43304      0.658346  2.82329      0.805663  33.5975     250.589     16.5361     250.589     
1 1 1 11 23 16 o 36.9145 4.83887 3.87952      0.882109  1.98342      0.876976  31.4377     162.691     0.0524981   162.693     
1 1 1 11 23 17 o 25.6318 4.69532 1.48086      0.631986  1.31932      0.626837  17.2957     257.697     7.13846     77.6971     
1 1 1 11 23 18 o 55.2938 3.38597 5.56613      0.942163  6.47484      0.97736   49.4866     173.451     2.5483      173.451     
1 1 1 11 23 19 o 27.0126 4.68973 1.11194      0.660731  2.05084      0.674758  21.0826     78.3888     1.5638      258.389     
1 1 1 11 23 20 o 24.0186 5.0339  1.18034      0.65906   1.34979      0.684995  19.0221     67.4171     1.04771     67.4171     
1 1 1 11 23 21 o 32.5728 4.8581  1.88637      0.822739  2.73665      0.768261  24.243      84.1529     5.99756     264.153     
1 1 1 11 23 22 o 42.5761 4.1525  3.54218      0.897557  3.98745      0.881364  39.7462     27.9794     7.0962      27.9794     
1 1 1 11 23 23 o 25.5221 5.14762 1.49977      0.709623  1.46441      0.719214  20.7506     132.761     1.16443     132.762     
1 1 1 11 23 24 o 23.8474 5.04527 0.740749     0.696598  1.8381       0.729359  15.2672     91.3073     7.60775     271.307     
1 1 1 11 23 25 f 16.7288 4.73348 0.633747     0.613916  0.243734     0.653364  21.1134     219.177     0           0           
1 1 1 11 23 26 o 17.3008 4.78087 0.452945     0.612906  0.662358     0.632791  8.94341     264.988     7.48403     84.9883     
1 1 1 11 23 27 o 37.079  4.74752 2.96146      0.920303  3.26202      0.829535  28.0386     267.552     6.06022     87.5515     
1 1 1 11 23 28 o 20.9485 5.38738 0.848417     0.864771  1.22337      0.698434  9.60391     159.917     13.8333     339.917     
1 1 1 11 23 29 o 16.6457 5.03209 0.332461     0.774384  0.48365      0.768599  9.63749     98.4617     3.20254     278.462     
1 1 1 11 23 30 o 24.2775 5.06974 0.705526     0.740866  2.25312      0.77245   19.1225     179.194     0.87237     179.194     
1 1 1 11 23 31 o 27.9448 4.36674 1.70505      0.569471  1.93522      0.66212   25.4042     295.655     7.25712     295.655     
1 1 1 11 23 32 o 23.7541 4.18972 1.09975      0.538214  1.54495      0.504237  17.6213     115.519     1.1222      295.519     
1 1 1 11 23 33 o 12.0574 3.70656 0.242175     0.45679   -0.0556126   0.412661  2.79821     2.92668     5.86331     182.927     
1 1 1 11 23 34 o 13.7603 4.11668 -0.0360874   0.543309  0.485343     0.508742  4.47226     353.587     8.09443     173.587     
1 1 1 11 23 35 o 23.6076 4.82936 1.18898      0.678016  1.75717      0.614242  20.6138     98.8811     7.71827     98.8811     
1 1 1 11 23 36 o 9.72277 3.24111 -0.790952    0.457339  -0.0191027   0.430325  0.0281283   173.326     1.58818     173.326     
1 1 1 11 23 37 o 17.2675 4.48226 1.12186      0.581004  0.364847     0.520413  6.30695     60.9007     1.82889     60.9007     
1 1 1 11 23 38 o 18.2378 4.62039 0.657073     0.572883  1.08354      0.562181  10.6618     38.0811     0.325196    38.0813     
1 1 1 11 23 39 o 13.828  4.36757 0.315315     0.643016  0.153136     0.636537  3.61642     226.779     1.79598     46.7789     
1 1 1 11 23 40 o 11.9702 3.85832 0.31585      0.562735  -0.35783     0.515318  2.28533     230.772     3.64248     50.7719     
1 1 1 11 23 41 o 12.357  3.96969 -0.111106    0.563959  0.215858     0.554081  2.43413     295.755     9.2851      115.755     
1 1 1 11 23 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 24 0  o 17.7721 6.81163 0.941458     0.87989   0.941458     0.87989   11.3541     270         5.78845     90          
1 1 1 11 24 1  o 13.1599 4.39838 -1.00346     0.792664  -0.512053    0.796154  5.38712     230.76      30.2059     230.76      
1 1 1 11 24 2  o 26.4895 4.44525 1.00655      0.669564  1.902        0.569083  17.2722     54.0319     9.31592     234.032     
1 1 1 11 24 3  o 51.1911 3.45132 5.15744      0.856231  5.07458      0.948824  45.3499     41.706      0.967402    41.7062     
1 1 1 11 24 4  o 16.8659 4.25163 0.793482     0.484144  0.0847064    0.532598  2.7694      1.91395     0.930107    1.91395     
1 1 1 11 24 5  o 25.6632 4.75587 1.02785      0.626675  1.77034      0.67681   23.5818     231.972     7.67411     231.972     
1 1 1 11 24 6  o 24.2537 4.86397 1.39783      0.62832   1.08705      0.660945  6.65882     171.29      27.1607     351.29      
1 1 1 11 24 7  o 33.0695 4.48856 2.03484      0.706482  2.50649      0.777414  24.771      204.46      6.54645     24.46       
1 1 1 11 24 8  o 19.3017 4.22244 1.34648      0.564682  -0.0655845   0.547307  13.7437     341.266     2.17985     341.266     
1 1 1 11 24 9  o 12.9979 3.96323 -0.0454695   0.465285  0.098995     0.50655   2.72696     356.909     7.94571     176.909     
1 1 1 11 24 10 o 45.6216 4.12921 4.22343      0.947141  4.1988       0.960963  56.5318     52.1589     36.2824     52.1589     
1 1 1 11 24 11 o 16.2633 4.56905 0.327922     0.523386  0.420751     0.626515  7.89677     7.2822      3.88779     187.282     
1 1 1 11 24 12 o 16.1972 4.31689 0.713805     0.510762  -0.00963124  0.554285  6.35228     53.9342     0.835771    53.9342     
1 1 1 11 24 13 o 29.6259 4.44245 1.38585      0.648704  2.34505      0.68119   23.1309     70.7296     2.71766     250.73      
1 1 1 11 24 14 o 26.0948 4.54996 0.852209     0.630845  2.08908      0.653732  17.178      298.612     8.18475     118.612     
1 1 1 11 24 15 o 15.5907 4.52043 0.21632      0.523493  0.364387     0.640863  2.19411     206.282     0.294097    206.282     
1 1 1 11 24 16 o 22.007  5.22352 0.839078     0.724191  1.22639      0.699982  14.6095     178.325     8.79912     178.325     
1 1 1 11 24 17 o 51.9374 3.58225 6.70175      0.951505  4.2096       0.911853  46.751      185.11      4.00348     185.11      
1 1 1 11 24 18 o 42.9869 4.04993 4.23459      0.888103  3.40276      0.86364   36.1449     318.197     1.01727     138.196     
1 1 1 11 24 19 o 22.8661 5.10323 1.55979      0.730973  0.781484     0.658589  10.4366     153.829     15.9117     333.829     
1 1 1 11 24 20 o 32.0252 4.8297  2.53137      0.77964   2.01567      0.776579  28.562      71.8256     4.49416     71.8256     
1 1 1 11 24 21 o 12.4761 4.00328 -0.514562    0.576207  0.0585598    0.571783  3.66024     276.665     5.31037     96.6651     
1 1 1 11 24 22 o 27.7793 5.32437 1.56951      0.823869  2.07792      0.768165  25.1376     258.492     6.19869     258.492     
1 1 1 11 24 23 o 14.6524 4.19639 0.820225     0.605823  -0.875253    0.579452  7.66296     280.798     1.29659     100.798     
1 1 1 11 24 24 o 16.9819 4.77663 0.479321     0.608965  0.582044     0.650433  9.86916     195.248     4.23428     195.248     
1 1 1 11 24 25 o 21.8109 5.26929 1.08272      0.671412  1.24793      0.759573  19.1298     318.612     6.83116     318.612     
1 1 1 11 24 26 o 19.6264 5.07595 1.18881      0.671485  0.534176     0.739076  13.9293     39.8524     0.693719    219.852     
1 1 1 11 24 27 o 37.4009 4.63842 3.99015      0.885019  2.53882      0.832331  34.0406     102.202     6.71267     102.202     
1 1 1 11 24 28 o 29.0692 5.47225 2.27305      0.889726  2.12237      0.789637  27.8349     154.881     11.0051     154.881     
1 1 1 11 24 29 o 22.6355 4.90886 2.19119      0.746759  0.209377     0.807061  14.2369     154.792     5.96622     334.792     
1 1 1 11 24 30 o 24.1157 5.27761 1.87422      0.742575  1.25243      0.743021  20.3848     206.685     5.61554     206.685     
1 1 1 11 24 31 o 17.2879 4.67643 -0.445932    0.666789  1.43324      0.724206  10.2922     153.485     1.84829     333.485     
1 1 1 11 24 32 o 25.4822 5.0928  2.73285      0.814901  0.859366     0.769839  23.9366     348.771     11.1375     348.771     
1 1 1 11 24 33 o 20.1262 5.02186 1.4901       0.640017  0.591389     0.834387  13.365      148.655     1.27734     328.655     
1 1 1 11 24 34 o 12.243  3.8245  0.299792     0.534267  -0.0775441   0.413848  1.83624     278.325     8.03841     98.3254     
1 1 1 11 24 35 o 26.8981 4.73939 2.07155      0.691737  1.71509      0.626395  25.0401     15.8343     13.9958     15.8343     
1 1 1 11 24 36 o 15.5811 4.25024 0.14926      0.537587  0.860133     0.509407  4.97581     212.913     0.143637    212.913     
1 1 1 11 24 37 o 16.7612 4.28758 1.2842       0.581525  0.00849645   0.511342  8.95556     220.868     1.398       40.8677     
1 1 1 11 24 38 o 17.7411 4.70031 0.882584     0.599589  0.879074     0.568344  10.7614     345.724     0.0884282   345.723     
1 1 1 11 24 39 o 18.6496 4.78887 1.25746      0.621176  0.733536     0.601625  11.5105     10.9171     2.06203     190.917     
1 1 1 11 24 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 25 0  f 29.6196 9.0584  2.69675      1.43304   2.69675      1.43304   52.6147     90          0           0           
1 1 1 11 25 1  o 21.6595 5.83393 -0.554202    0.872944  1.99494      1.17311   12.8375     208.165     7.25422     28.165      
1 1 1 11 25 2  o 38.0176 6.87582 4.39219      1.39664   2.62719      1.39406   27.8423     96.5922     8.48342     276.592     
1 1 1 11 25 3  f 18.1771 4.30798 0.917329     0.486261  0.30913      0.529693  12.5998     279.644     0           0           
1 1 1 11 25 4  o 22.1697 4.66902 1.36835      0.58342   0.679386     0.621493  17.9923     47.2784     9.46302     47.2784     
1 1 1 11 25 5  o 39.3186 3.99118 3.42618      0.807948  2.86981      0.769962  29.9621     282.693     7.22511     102.693     
1 1 1 11 25 6  f 39.6552 4.0323  2.70281      0.802733  3.73843      0.781229  25.1319     122.215     0           0           
1 1 1 11 25 7  o 22.1648 4.64782 0.776568     0.57004   1.31378      0.596819  17.8468     184.603     3.57043     184.603     
1 1 1 11 25 8  o 40.3352 3.84989 3.13447      0.773718  3.4542       0.794294  31.4838     329.348     5.85275     149.348     
1 1 1 11 25 9  o 43.2087 3.76487 4.35998      0.827513  3.20159      0.806027  37.1356     116.056     0.474334    116.056     
1 1 1 11 25 10 o 19.5936 4.90097 0.70204      0.650242  0.836902     0.598746  13.2145     268.724     0.852604    88.7238     
1 1 1 11 25 11 o 24.3363 5.15207 1.15392      0.642518  1.47923      0.759764  17.8918     63.0919     2.31167     243.092     
1 1 1 11 25 12 o 32.4762 4.51984 2.66175      0.735263  1.855        0.729782  28.9967     121.76      4.48786     121.76      
1 1 1 11 25 13 o 20.407  4.81158 1.09915      0.611449  0.655808     0.602654  15.9787     310.919     4.74902     310.919     
1 1 1 11 25 14 o 36.4701 4.20933 2.82686      0.761939  2.75752      0.774375  32.4826     84.4112     3.94698     84.4112     
1 1 1 11 25 15 o 43.1677 4.32481 4.28224      0.909552  3.59797      0.956278  40.8498     327.753     8.76862     327.753     
1 1 1 11 25 16 o 19.4724 4.89061 -0.690234    0.899055  1.44053      0.702988  9.53599     188.621     10.8599     8.62101     
1 1 1 11 25 17 o 45.2177 4.39468 4.71868      1.01792   4.04675      0.984345  37.9672     306.849     0.750377    126.849     
1 1 1 11 25 18 o 23.9579 5.30762 1.38439      0.731145  1.32214      0.735016  22.511      178.934     10.3319     178.934     
1 1 1 11 25 19 o 13.7364 4.12367 0.576292     0.581598  -0.781529    0.576138  4.03162     122.606     0.294483    122.606     
1 1 1 11 25 20 o 30.681  5.16409 1.30184      0.79974   3.30143      0.904201  31.9068     343.485     15.3106     343.485     
1 1 1 11 25 21 o 13.4221 4.21433 0.110251     0.578965  -0.0979146   0.598011  3.37797     247.949     11.699      67.9488     
1 1 1 11 25 22 o 44.1203 4.34895 3.28369      0.898567  5.449        1.00151   39.7728     307.841     5.73258     307.841     
1 1 1 11 25 23 o 43.3882 4.13904 4.67413      0.905771  3.61093      0.892294  43.6464     276.905     15.3752     276.905     
1 1 1 11 25 24 o 22.1238 4.8871  0.458983     0.685494  1.87671      0.710193  15.8946     129.198     1.66181     309.198     
1 1 1 11 25 25 o 11.1695 3.70848 -0.606416    0.541256  -0.126682    0.558897  1.46023     58.8866     3.26375     238.887     
1 1 1 11 25 26 o 16.9155 4.76894 0.0812682    0.643654  1.00899      0.685245  9.16451     67.7391     3.3132      247.739     
1 1 1 11 25 27 o 16.9563 4.71336 1.03381      0.655791  0.0983287    0.640127  8.21667     180.374     2.74357     180.374     
1 1 1 11 25 28 o 18.1305 5.33342 0.887498     0.83436   0.684462     0.824574  9.7632      162.978     5.42516     342.978     
1 1 1 11 25 29 o 22.9783 5.64938 1.23103      0.75773   1.90402      0.89676   16.4351     289.075     1.0065      109.075     
1 1 1 11 25 30 o 18.8716 5.10647 0.571262     0.721799  1.29681      0.724847  11.6819     158.781     2.31183     338.781     
1 1 1 11 25 31 o 16.7895 4.72649 1.29949      0.719432  -0.227359    0.671486  8.64716     335.975     3.14018     155.975     
1 1 1 11 25 32 o 12.496  4.12132 -0.472635    0.60122   0.173698     0.704528  1.82569     214.192     3.55868     34.1923     
1 1 1 11 25 33 o 18.2267 5.62667 0.210344     0.793176  1.83876      1.19104   9.39438     141.567     1.9795      321.567     
1 1 1 11 25 34 o 20.3089 5.73643 2.50265      1.1054    0.212418     0.850066  13.3017     335.161     2.73363     335.161     
1 1 1 11 25 35 o 16.931  4.99197 0.291756     0.750822  1.15282      0.762065  7.51477     293.706     6.64722     113.706     
1 1 1 11 25 36 o 17.3177 4.84934 0.599665     0.531944  1.14627      0.755361  9.92886     130.393     2.06435     130.393     
1 1 1 11 25 37 o 11.1915 3.60926 0.265891     0.506416  -0.400709    0.436323  1.86851     168.08      3.031       348.08      
1 1 1 11 25 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 26 0  o 45.57   9.97242 5.75325      2.06213   5.75325      2.06213   55.2188     270         30.8767     270         
1 1 1 11 26 1  o 24.093  7.2334  0.4442       1.61378   1.73637      1.59979   19.9424     292.309     7.78464     292.309     
1 1 1 11 26 2  f 19.8857 5.99932 -1.05446     1.46756   1.09203      1.03097   13.5845     136.153     0           0           
1 1 1 11 26 3  o 35.6913 7.20874 3.04986      1.82941   3.59054      1.15625   36.4011     215.654     15.6826     215.654     
1 1 1 11 26 4  o 15.14   4.22741 0.360127     0.486204  0.324027     0.493845  5.63416     63.7106     9.17603     243.711     
1 1 1 11 26 5  o 70.686  3.29309 9.93984      1.2431    9.86096      1.15482   70.0697     315.715     18.2641     315.715     
1 1 1 11 26 6  f 44.5821 3.93173 4.66343      0.918376  3.55328      0.852151  40.4167     358.202     0           0           
1 1 1 11 26 7  o 27.6359 4.90608 1.92597      0.733438  1.49257      0.673936  20.8161     266.609     3.08741     86.6088     
1 1 1 11 26 8  o 47.1842 4.03206 5.78508      1.05217   3.57778      0.868956  37.7098     59.171      4.95085     239.171     
1 1 1 11 26 9  o 12.5071 3.98237 -0.019476    0.557134  -0.253129    0.531978  3.48123     76.0006     5.50841     256.001     
1 1 1 11 26 10 o 45.552  4.11875 4.39952      0.990468  4.30407      0.908051  41.2265     140.234     5.36684     140.234     
1 1 1 11 26 11 o 19.2404 5.17876 1.24318      0.78113   0.0478386    0.765629  9.49377     304.556     10.257      124.556     
1 1 1 11 26 12 o 32.458  4.77323 2.54337      0.805336  2.16238      0.749369  32.8647     299.129     13.3353     299.129     
1 1 1 11 26 13 o 13.1583 5.63094 -1.72434     0.45946   0.10996      0.483174  3.36188     298.814     2.89633     118.814     
1 1 1 11 26 14 o 30.2332 5.07936 1.48117      0.797369  2.828        0.816002  29.6391     246.139     11.1149     246.139     
1 1 1 11 26 15 o 13.3572 4.28913 -0.327291    0.5773    0.0856553    0.70721   2.04666     24.3822     0.110279    24.3823     
1 1 1 11 26 16 o 18.5463 5.26209 1.21149      0.85805   0.00947287   0.768024  12.7879     18.5051     0.326166    198.505     
1 1 1 11 26 17 o 23.8616 5.3424  1.42285      0.749469  1.39706      0.731844  10.252      336.639     17.8993     156.639     
1 1 1 11 26 18 o 27.9773 4.79545 3.13895      0.815657  0.701743     0.755936  18.3093     318.57      8.76839     138.57      
1 1 1 11 26 19 o 23.2647 5.22658 1.48962      0.690433  1.19897      0.741341  19.2628     96.844      3.64635     96.844      
1 1 1 11 26 20 o 26.1874 5.27216 1.99534      0.752705  1.46731      0.767508  18.9873     305.752     3.17773     125.752     
1 1 1 11 26 21 o 18.0598 4.97148 0.709255     0.646169  0.749135     0.692698  8.02467     295.784     3.99454     295.784     
1 1 1 11 26 22 o 26.4081 5.18996 1.78893      0.734948  1.77785      0.736986  15.4333     242.316     10.7937     62.3159     
1 1 1 11 26 23 o 24.333  5.30364 1.31632      0.735681  1.82164      0.751819  18.9529     130.127     1.62224     130.127     
1 1 1 11 26 24 o 15.7815 4.70389 0.440025     0.664523  0.444956     0.649863  5.09178     177.96      11.5234     357.96      
1 1 1 11 26 25 o 14.7756 4.53161 0.492686     0.641196  0.0295048    0.66717   4.80158     80.3957     9.70848     260.396     
1 1 1 11 26 26 o 18.2745 4.93236 1.14367      0.67455   0.498993     0.667967  12.0875     41.3766     4.0017      41.3766     
1 1 1 11 26 27 o 21.3667 5.48274 1.05212      0.876769  1.57805      0.75512   16.1414     56.8316     8.4749      56.8316     
1 1 1 11 26 28 o 15.4118 4.84701 -0.130098    0.807819  0.709052     0.79493   5.96877     84.2541     6.55572     264.254     
1 1 1 11 26 29 f 28.0706 5.48458 2.41195      0.838286  2.09996      0.813611  20.3326     27.7395     0           0           
1 1 1 11 26 30 o 12.6418 4.1479  -0.0532654   0.657611  -0.128481    0.642963  1.52225     0.556063    8.16082     180.556     
1 1 1 11 26 31 o 12.5117 4.15313 -0.720018    0.637748  0.254013     0.734586  1.90551     160.099     6.18493     340.099     
1 1 1 11 26 32 o 12.0782 4.10629 -0.484353    0.715579  -0.376434    0.78556   1.70178     336.509     4.07051     156.509     
1 1 1 11 26 33 o 21.7205 6.11239 3.26471      1.26106   0.469654     0.943325  11.2393     97.1375     8.55688     277.137     
1 1 1 11 26 34 o 25.3933 5.71114 1.69455      0.86549   2.55492      0.875481  16.5026     134.196     4.57209     314.196     
1 1 1 11 26 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 27 0  o 23.4186 8.59132 2.00319      1.34971   2.00319      1.34971   13.6357     89.9999     10.0512     89.9999     
1 1 1 11 27 1  o 21.2416 6.36978 1.85413      1.44221   -0.0112315   1.01003   13.8398     22.6354     8.15681     22.6354     
1 1 1 11 27 2  o 29.3679 6.64672 1.21486      1.3405    3.34013      1.22268   25.3564     151.451     4.3593      151.451     
1 1 1 11 27 3  f 23.6514 6.26427 0.120431     1.19841   2.28867      1.14628   8.55719     310.141     0           0           
1 1 1 11 27 4  o 16.1839 5.05124 1.41625      1.13046   -0.789316    0.460605  9.36031     47.7023     0.580995    47.7023     
1 1 1 11 27 5  o 15.3415 4.38806 0.0951399    0.543174  0.56025      0.562621  7.73285     328.718     1.65617     328.718     
1 1 1 11 27 6  o 12.3852 3.78012 -1.19686     0.462081  0.567069     0.56499   4.1512      130.146     3.57779     310.146     
1 1 1 11 27 7  o 46.874  4.19821 4.78208      0.967812  4.66233      1.0235    44.2009     192.501     9.76138     192.501     
1 1 1 11 27 8  o 34.9745 4.75597 2.86353      0.833284  2.67009      0.828382  33.4145     278.183     9.66711     278.183     
1 1 1 11 27 9  o 11.3421 3.64884 0.210849     0.511306  -1.12393     0.53191   0.493268    101.638     16.1058     101.638     
1 1 1 11 27 10 o 19.4743 4.52239 -0.33054     0.651398  1.64835      0.679178  10.4867     281.922     8.95963     101.922     
1 1 1 11 27 11 o 11.1771 3.77635 -0.804027    0.583509  -0.368662    0.64171   2.32358     31.2606     7.32521     211.261     
1 1 1 11 27 12 o 17.8047 4.83349 1.18078      0.717801  -0.0203545   0.641084  7.3525      120.327     12.1308     300.327     
1 1 1 11 27 13 o 24.3878 5.40367 1.10492      0.775174  1.89456      0.789197  23.2251     141.37      11.6257     141.37      
1 1 1 11 27 14 o 20.443  5.06789 1.50207      0.732034  0.445302     0.683838  3.75647     190.794     2.6328      190.794     
1 1 1 11 27 15 f 15.4315 4.46031 0.902919     0.653865  -0.57796     0.637505  12.0904     45.6946     0           0           
1 1 1 11 27 16 o 32.4488 5.85844 3.34793      0.991322  2.29318      1.02768   26.5182     208.006     1.28758     208.006     
1 1 1 11 27 17 f 9.26639 3.20545 -0.898943    0.496762  -0.648197    0.526276  3.62023     81.0538     0           0           
1 1 1 11 27 18 o 17.8524 4.89466 0.856195     0.640062  0.571908     0.666848  10.7126     295.181     1.42208     115.181     
1 1 1 11 27 19 o 45.9766 4.2798  4.99694      0.976784  4.6534       1.00888   41.3513     215.389     7.44356     215.389     
1 1 1 11 27 20 o 15.11   4.57795 0.401343     0.6421    0.273964     0.639792  5.92877     251.754     0.222277    251.754     
1 1 1 11 27 21 f 14.286  4.29894 -0.639295    0.613523  0.770664     0.634438  8.40373     264.037     0           0           
1 1 1 11 27 22 o 17.973  4.98159 0.994288     0.698943  0.581284     0.665359  11.4267     35.0066     3.34685     35.0066     
1 1 1 11 27 23 o 13.4576 4.26304 0.392422     0.632408  -0.339644    0.633459  3.49457     180.845     9.53577     0.844623    
1 1 1 11 27 24 o 11.467  3.82132 -0.406805    0.604123  -0.19614     0.577295  1.44096     93.4339     3.18895     273.434     
1 1 1 11 27 25 o 33.3337 5.13155 2.19668      0.850005  3.77757      0.896341  31.2203     143.458     11.3911     143.458     
1 1 1 11 27 26 o 13.0507 4.2141  -0.354644    0.663318  0.269758     0.635996  2.56772     358.36      4.07406     178.36      
1 1 1 11 27 27 f 21.9341 5.5829  2.28333      0.942857  0.751136     0.758399  4.45005     162.114     0           0           
1 1 1 11 27 28 o 15.2669 4.72479 0.744482     0.709253  -0.142798    0.794545  5.32805     50.1101     1.93574     230.11      
1 1 1 11 27 29 o 11.9672 3.99232 0.0185522    0.657749  -0.564966    0.645238  1.21626     43.9866     8.66181     223.987     
1 1 1 11 27 30 o 24.3176 5.71238 2.49277      0.845389  1.41156      1.04002   17.9745     291.59      1.45041     291.59      
1 1 1 11 27 31 o 11.9138 4.09453 -0.695521    0.781517  -0.451979    0.816959  2.18421     165.416     3.69939     345.416     
1 1 1 11 27 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 27 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 28 0  o 19.2053 7.30445 1.33211      1.00441   1.33211      1.00441   15.7463     270         8.16348     270         
1 1 1 11 28 1  o 13.8132 4.64331 -0.530948    0.931786  -0.574048    0.878147  4.70487     324.69      0.468443    144.69      
1 1 1 11 28 2  o 29.1073 6.46584 3.85559      1.30339   1.13402      1.08382   29.8692     274.564     21.5158     274.564     
1 1 1 11 28 3  o 17.1611 5.32563 -0.336112    0.931061  0.860707     0.957599  10.6249     326.413     0.734946    326.413     
1 1 1 11 28 4  o 27.4071 6.78786 2.21372      1.11154   2.34574      1.27635   20.1065     319.875     2.37239     139.875     
1 1 1 11 28 5  o 24.9133 5.91609 1.70317      1.27986   1.62928      0.675153  15.2984     273.735     8.2524      93.7352     
1 1 1 11 28 6  o 17.7279 4.76354 0.981915     0.628921  0.290302     0.635623  9.32821     60.7966     4.4506      60.7966     
1 1 1 11 28 7  o 29.0738 5.5437  2.01185      0.80804   2.33314      0.901319  21.335      331.596     3.42744     151.596     
1 1 1 11 28 8  o 20.6063 5.24119 1.17604      0.665944  0.893685     0.793548  14.2674     171.536     1.03883     351.536     
1 1 1 11 28 9  o 17.5615 5.01417 0.677323     0.636085  0.577325     0.78699   10.6655     184.882     2.66215     184.882     
1 1 1 11 28 10 o 11.4177 3.73504 0.187129     0.559171  -1.20368     0.574064  0.78189     291.487     10.8572     111.487     
1 1 1 11 28 11 o 28.8657 5.47457 3.25454      0.939486  1.2413       0.886284  22.7749     183.099     0.58427     183.099     
1 1 1 11 28 12 f 56.963  5.18429 9.03999      1.20984   6.62263      1.55838   36.3958     226.119     0           0           
1 1 1 11 28 13 o 17.4471 4.96652 0.504061     0.633931  0.831241     0.744106  7.4318      243.428     9.56079     63.4277     
1 1 1 11 28 14 o 36.1926 5.00006 4.21277      0.864775  2.32733      0.92851   28.1876     295.98      1.7994      115.98      
1 1 1 11 28 15 f 34.1228 5.19171 3.26475      0.865485  2.66491      0.918983  19.1103     258.032     0           0           
1 1 1 11 28 16 o 18.1173 5.14218 1.21379      0.782142  0.244795     0.765076  10.9201     306.304     3.69051     306.304     
1 1 1 11 28 17 o 21.2939 4.78605 2.33386      0.817021  -0.130364    0.659358  17.0289     312.264     5.09107     312.264     
1 1 1 11 28 18 o 15.4082 4.61426 0.205646     0.652975  0.596258     0.639069  6.39596     278.92      7.09946     98.9201     
1 1 1 11 28 19 o 15.5046 4.66316 0.509474     0.670118  0.365528     0.641552  7.51596     266.795     1.06643     86.7946     
1 1 1 11 28 20 o 16.1589 4.74667 0.671962     0.664936  0.446942     0.647962  7.11526     274.34      6.19803     94.3396     
1 1 1 11 28 21 o 15.1422 4.57446 0.671709     0.655967  0.0728831    0.646748  5.70708     68.3928     5.94027     248.393     
1 1 1 11 28 22 o 16.795  4.85436 0.913282     0.69559   0.403428     0.664273  8.05569     289.627     1.23781     109.627     
1 1 1 11 28 23 o 13.7603 4.28784 -0.712791    0.665181  0.683661     0.648453  3.17958     296.483     4.18033     116.483     
1 1 1 11 28 24 o 17.7759 4.99122 0.511467     0.694776  1.11236      0.710524  6.69982     220.084     1.91664     220.084     
1 1 1 11 28 25 o 12.345  4.03712 -0.974032    0.646939  0.37725      0.647841  1.58647     351.048     2.98919     171.048     
1 1 1 11 28 26 o 8.65135 3.05563 -0.62708     0.549112  -1.91888     0.579364  2.42548     258.274     10.7086     258.274     
1 1 1 11 28 27 o 13.1387 4.36694 -1.09546     0.818135  0.449186     0.784704  2.93345     303.475     2.07484     123.475     
1 1 1 11 28 28 o 9.87059 3.47543 -1.43339     0.601743  -0.626705    0.728979  0.206153    287.826     4.46939     107.826     
1 1 1 11 28 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 28 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 29 0  o 42.2087 7.40545 4.682        1.40221   4.682        1.40221   40.4369     90          10.2449     90          
1 1 1 11 29 1  o 16.9308 5.33567 0.124831     0.945481  0.64682      0.962798  9.04007     19.4217     1.84405     199.422     
1 1 1 11 29 2  o 14.3625 4.78746 0.115519     0.949283  -0.809302    0.918441  3.77251     74.2177     10.5564     254.218     
1 1 1 11 29 3  o 21.7341 6.13728 1.70263      1.08224   1.08116      1.019     13.6955     21.1812     3.83409     201.181     
1 1 1 11 29 4  o 17.9261 5.50479 1.09465      0.974314  0.0321084    0.995264  10.3875     66.6215     1.65985     246.621     
1 1 1 11 29 5  o 16.0954 5.18218 0.765148     1.01283   -0.516319    0.929145  6.82924     309.443     6.93229     129.443     
1 1 1 11 29 6  o 18.4949 4.67275 1.56044      0.709209  -0.10083     0.605002  11.066      297.535     3.20324     117.535     
1 1 1 11 29 7  o 15.9994 4.46648 1.03629      0.631411  -0.302635    0.610831  7.12941     67.0704     1.62269     67.0704     
1 1 1 11 29 8  o 17.3022 4.77351 1.15446      0.681166  0.020951     0.669678  10.2479     346.162     2.23041     346.162     
1 1 1 11 29 9  o 33.7502 5.12831 3.10189      0.859097  2.68758      0.882858  36.812      350.922     22.8681     350.922     
1 1 1 11 29 10 o 16.5469 4.77646 1.00596      0.698393  -0.0348459   0.688144  8.01754     270.532     2.22822     270.532     
1 1 1 11 29 11 o 16.5434 4.85271 0.207868     0.671004  0.885641     0.724211  6.6835      312.259     9.29451     132.259     
1 1 1 11 29 12 o 23.9109 5.923   2.01484      0.948899  1.48908      0.871142  20.3562     138.065     7.79703     138.065     
1 1 1 11 29 13 o 31.3005 5.3518  2.33692      0.859417  2.93059      0.866348  31.9462     342.958     17.371      342.958     
1 1 1 11 29 14 o 17.3812 4.96125 0.44566      0.702198  0.978554     0.705253  8.8079      168.157     5.18853     348.157     
1 1 1 11 29 15 o 13.5835 4.27771 -0.547147    0.638642  0.552776     0.651732  3.74452     3.64351     7.05606     183.644     
1 1 1 11 29 16 o 26.4857 5.00283 0.580246     0.756556  3.41958      0.914018  22.9821     290.881     7.86989     290.881     
1 1 1 11 29 17 o 14.0581 4.49089 0.00743954   0.752469  0.242398     0.654195  2.64623     8.58259     1.21772     188.583     
1 1 1 11 29 18 o 13.8602 4.34749 0.494088     0.638954  -0.231123    0.646733  2.26673     326.619     1.51351     146.619     
1 1 1 11 29 19 o 10.8179 3.66866 -0.911648    0.637101  -0.204126    0.576604  0.0856514   30.3711     2.34707     210.371     
1 1 1 11 29 20 o 16.8646 4.78814 1.28086      0.73456   -0.0817714   0.660555  7.93946     98.0279     1.2571      278.028     
1 1 1 11 29 21 o 14.5484 4.37066 1.0968       0.70614   -1.35193     0.697881  4.73424     213.456     5.60149     33.4563     
1 1 1 11 29 22 o 13.9567 4.50464 -0.237579    0.684996  0.478549     0.771065  4.06454     215.692     3.09058     35.6917     
1 1 1 11 29 23 o 20.4189 5.45318 1.49778      0.771148  1.14196      0.834396  12.0959     291.264     3.59192     111.264     
1 1 1 11 29 24 o 14.426  4.51001 0.809655     0.701974  -0.529972    0.746221  4.03294     179.584     0.141924    359.584     
1 1 1 11 29 25 o 18.2695 5.22684 0.99701      0.775311  1.0074       0.760079  11.5773     242.944     2.03777     242.944     
1 1 1 11 29 26 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 30 0  o 18.168  7.30819 1.38         1.07184   1.38         1.07184   2.44595     89.9998     1.25128     89.9998     
1 1 1 11 30 1  o 14.3628 4.79975 -0.219176    0.935352  -0.147677    0.945993  2.62407     156.137     0.211568    336.137     
1 1 1 11 30 2  o 20.9701 5.78444 -0.295186    1.06145   2.51322      1.09146   14.9903     98.6915     3.03188     98.6915     
1 1 1 11 30 3  o 20.0123 5.97457 1.31345      1.0497    1.14919      1.08018   13.1696     204.682     4.14769     204.682     
1 1 1 11 30 4  o 11.9858 4.15783 -0.757058    0.877446  -1.21821     0.892227  1.59569     107.267     8.08654     287.267     
1 1 1 11 30 5  o 22.2555 6.49472 2.18078      1.24462   1.41393      1.20756   12.6209     303.995     6.50439     123.995     
1 1 1 11 30 6  f 21.7256 6.37559 2.00217      1.18394   1.30705      1.20928   20.7652     286.807     0           0           
1 1 1 11 30 7  o 16.2167 4.88408 1.09883      0.842502  -0.0169943   0.616803  6.07319     278.112     0.708846    278.112     
1 1 1 11 30 8  f 33.9957 5.2419  3.26984      0.875259  2.86074      0.921755  17.464      174.202     0           0           
1 1 1 11 30 9  o 18.6574 5.07364 1.39015      0.739919  0.361963     0.737242  10.7486     113.646     1.42511     293.646     
1 1 1 11 30 10 o 15.162  4.64168 0.0506711    0.69684   0.639861     0.679134  5.38429     33.1643     2.82081     213.164     
1 1 1 11 30 11 o 11.6571 3.898   0.221856     0.666713  -1.32611     0.632032  0.640406    222.634     7.39413     42.6343     
1 1 1 11 30 12 o 12.347  4.14981 -0.0708475   0.723158  -0.720824    0.739635  1.2108      20.0799     7.17319     200.08      
1 1 1 11 30 13 o 14.3948 4.56402 0.400003     0.718054  0.00177532   0.700365  2.11579     204.84      12.9597     24.8402     
1 1 1 11 30 14 o 14.012  4.39298 -0.763991    0.675866  0.748015     0.705326  3.42533     41.1282     7.31009     221.128     
1 1 1 11 30 15 o 13.0764 4.24829 0.37014      0.680242  -0.635971    0.690507  1.99495     251.301     2.26615     71.3007     
1 1 1 11 30 16 o 18.4684 5.16178 1.34873      0.734203  0.387187     0.860471  9.26112     135.23      3.0088      135.23      
1 1 1 11 30 17 o 17.4132 5.10341 1.11396      0.805513  0.50211      0.714455  8.15333     207.166     1.79297     207.166     
1 1 1 11 30 18 f 12.6333 4.15753 -0.16677     0.649913  0.00691051   0.672167  4.2728      90.7544     0           0           
1 1 1 11 30 19 o 17.6827 4.99456 0.532154     0.692489  1.19745      0.724191  4.63222     276.404     2.15315     276.404     
1 1 1 11 30 20 o 12.4627 4.04211 0.595641     0.668882  -1.18987     0.615444  1.28524     81.1844     0.713938    261.184     
1 1 1 11 30 21 o 20.7796 4.99401 0.192533     0.783518  2.1707       0.777143  14.9141     130.285     1.97657     130.285     
1 1 1 11 30 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 31 0  o 10.3552 5.0582  -0.268164    0.916507  -0.268164    0.916507  0.0627835   90.0001     3.11066     90.0001     
1 1 1 11 31 1  o 15.7692 5.16985 0.548795     0.988393  -0.194662    1.0606    5.16639     354.446     1.18847     174.446     
1 1 1 11 31 2  o 19.4533 5.9098  0.27057      1.13508   1.8773       1.13205   11.0145     333.439     1.86784     333.439     
1 1 1 11 31 3  o 13.617  4.63373 -1.00333     0.961288  -0.00130384  0.978322  2.39721     251.654     2.29605     71.6539     
1 1 1 11 31 4  o 10.7226 3.8184  -0.903095    0.95728   -2.55759     0.822948  0.276197    195.613     7.71141     195.613     
1 1 1 11 31 5  o 14.4529 4.87153 -0.601117    1.05403   0.10878      0.990479  3.21142     255.732     1.51799     75.7316     
1 1 1 11 31 6  o 13.9038 4.71214 -1.84484     0.960837  0.597618     1.03188   2.08347     58.8165     1.16515     238.816     
1 1 1 11 31 7  o 19.1906 5.84215 -0.427555    1.09631   2.32382      1.21244   10.9924     251.73      1.86379     251.73      
1 1 1 11 31 8  o 16.2123 4.50268 -0.448682    0.627431  1.29439      0.676535  7.30617     247.386     0.472581    67.386      
1 1 1 11 31 9  o 17.4288 5.08868 1.09332      0.786304  0.497939     0.722118  7.14658     151.955     2.02105     151.955     
1 1 1 11 31 10 o 13.606  4.40648 -0.228604    0.708286  0.32769      0.710355  3.66815     272.862     3.2869      92.862      
1 1 1 11 31 11 o 18.685  5.27061 0.954122     0.771139  1.11344      0.769223  11.1657     152.846     2.71747     152.846     
1 1 1 11 31 12 o 14.3427 4.49762 -0.714373    0.700447  0.896745     0.744568  3.2379      253.633     0.27818     73.6332     
1 1 1 11 31 13 o 18.702  5.26958 1.55505      0.798841  0.376498     0.883932  1.15954     112.378     0.643558    112.378     
1 1 1 11 31 14 o 16.4178 4.9566  1.15383      0.795498  -0.00799679  0.782972  8.10062     290.137     1.01729     290.137     
1 1 1 11 31 15 o 20.2221 5.48539 1.48148      0.800794  1.13013      0.829199  13.0041     86.3147     0.972197    266.315     
1 1 1 11 31 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 31 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 31 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 32 0  o 19.2522 7.81741 1.80846      1.24293   1.80846      1.24293   6.17523     270         3.5775      270         
1 1 1 11 32 1  o 16.024  5.33408 0.446267     1.11147   0.222369     1.1775    7.28134     200.846     0.0605469   200.846     
1 1 1 11 32 2  o 18.5289 5.8647  0.0808553    1.13203   2.00446      1.25634   10.1639     340.851     3.61271     340.851     
1 1 1 11 32 3  o 15.9465 5.25862 0.681884     1.06707   0.0128906    1.08213   5.87064     155.644     1.14359     155.644     
1 1 1 11 32 4  o 16.0206 5.29213 -0.176996    1.02501   0.919027     1.14922   7.06447     44.6096     0.758324    44.6097     
1 1 1 11 32 5  o 18.8323 5.90685 1.41657      1.12839   0.983376     1.18674   9.44964     19.7609     6.17957     199.761     
1 1 1 11 32 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 32 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 32 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 32 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 11 32 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 0  0  o 153.305 3.11425 43.1941      2.47018   43.1941      2.47018   162.405     9.43966e-07 64.7039     9.43966e-07 
1 1 1 12 0  1  o 154.142 2.21144 43.6137      1.76532   43.6137      1.76532   143.844     90          37.2261     270         
1 1 1 12 0  2  o 61.9292 2.58545 7.10544      0.823285  7.10544      0.823285  6.18842     180         38.0613     360         
1 1 1 12 0  3  o 120.438 2.23875 26.6489      1.39548   26.6489      1.39548   137.539     270         32.6953     270         
1 1 1 12 0  4  o 375.374 2.53193 258.435      4.92558   258.435      4.92558   454.828     180         118.793     180         
1 1 1 12 0  5  o 600.668 3.16864 661.882      9.86471   661.882      9.86471   719.048     90          173.319     90          
1 1 1 12 0  6  o 205.481 2.22881 77.467       2.37271   77.467       2.37271   315.797     180         199.877     180         
1 1 1 12 0  7  o 130.27  2.23225 31.1697      1.50537   31.1697      1.50537   169.543     270         80.8716     270         
1 1 1 12 0  8  o 160.078 2.20958 47.0373      1.83189   47.0373      1.83189   232.223     180         133.349     180         
1 1 1 12 0  9  o 398.522 2.59229 291.334      5.35408   291.334      5.35408   565.353     90          294.656     90          
1 1 1 12 0  10 o 99.2064 2.30559 18.1056      1.18273   18.1056      1.18273   37.3869     360         131.888     180         
1 1 1 12 0  11 o 28.5152 5.04675 1.74572      0.645301  1.74572      0.645301  27.278      270         67.2169     270         
1 1 1 12 0  12 o 9.2481  4.30955 -0.109509    0.528797  -0.109509    0.528797  11.2966     180         23.034      180         
1 1 1 12 0  13 o 116.78  2.60372 25.0903      1.57258   25.0903      1.57258   146.575     270         52.0494     270         
1 1 1 12 0  14 o 148.087 2.23064 40.2735      1.71053   40.2735      1.71053   150.017     180         8.29099     8.71058e-06 
1 1 1 12 0  15 o 101.905 2.45112 19.1154      1.29137   19.1154      1.29137   85.3799     90          40.9403     270         
1 1 1 12 0  16 o 173.907 2.59059 55.5618      2.33299   55.5618      2.33299   208.923     360         57.1869     360         
1 1 1 12 0  17 o 88.237  2.73773 14.3696      1.24669   14.3696      1.24669   38.8562     270         104.881     90          
1 1 1 12 0  18 o 41.2793 3.38972 3.25342      0.699845  3.25342      0.699845  18.1011     180         118.923     180         
1 1 1 12 0  19 o 87.9221 2.3541  14.2437      1.06939   14.2437      1.06939   37.1363     270         106.81      90          
1 1 1 12 0  20 o 38.6442 3.15679 2.85007      0.610431  2.85007      0.610431  12.9323     180         20.7461     8.7303e-06  
1 1 1 12 0  21 o 157.973 2.27521 45.8452      1.86136   45.8452      1.86136   150.005     90          23.6427     270         
1 1 1 12 0  22 o 224.072 2.29433 92.1855      2.6636    92.1855      2.6636    269.626     180         81.4757     180         
1 1 1 12 0  23 o 75.1658 2.49561 10.4381      0.967461  10.4381      0.967461  102.088     90          56.3446     90          
1 1 1 12 0  24 o 44.0548 3.11921 3.67084      0.694675  3.67084      0.694675  31.3597     360         13.8759     180         
1 1 1 12 0  25 o 125.167 2.3305  28.8123      1.50969   28.8123      1.50969   132.843     90          12.3313     90          
1 1 1 12 0  26 o 47.5039 3.008   4.24439      0.726379  4.24439      0.726379  35.499      360         22.2661     180         
1 1 1 12 0  27 o 186.944 2.33199 64.2157      2.25821   64.2157      2.25821   200.888     270         25.957      270         
1 1 1 12 0  28 o 198.776 2.33858 72.606       2.40811   72.606       2.40811   200.2       360         2.23645     360         
1 1 1 12 0  29 o 92.4652 2.45962 15.772       1.17511   15.772       1.17511   123.432     270         62.4205     270         
1 1 1 12 0  30 o 103.052 2.40677 19.5762      1.28247   19.5762      1.28247   121.252     360         37.6525     360         
1 1 1 12 0  31 o 120.429 2.38861 26.7215      1.48845   26.7215      1.48845   159.91      270         81.3846     270         
1 1 1 12 0  32 o 70.0613 3.10824 9.15491      1.11851   9.15491      1.11851   65.5948     0           6.94955     180         
1 1 1 12 0  33 o 99.2523 3.14856 18.2946      1.61244   18.2946      1.61244   56.4691     270         81.9218     90          
1 1 1 12 0  34 o 114.006 2.58533 24.0305      1.52426   24.0305      1.52426   86.5578     0           49.7252     180         
1 1 1 12 0  35 o 120.537 2.57299 26.8767      1.60432   26.8767      1.60432   100.463     270         33.6133     90          
1 1 1 12 0  36 o 16.8267 5.7624  0.790405     0.586523  0.790405     0.586523  1.56203     180         26.3494     180         
1 1 1 12 0  37 o 48.9382 4.40342 4.70477      1.06773   4.70477      1.06773   51.5014     90          8.68049     90          
1 1 1 12 0  38 o 56.7326 3.07078 6.08836      0.890572  6.08836      0.890572  73.4393     180         38.0678     180         
1 1 1 12 0  39 o 14.6473 5.65628 0.596193     0.611332  0.596193     0.611332  2.36537     90          3.07233     270         
1 1 1 12 0  40 o 65.6057 3.17071 8.15693      1.06652   8.15693      1.06652   57.1339     360         10.277      180         
1 1 1 12 0  41 o 15.4303 5.62242 0.686062     0.575422  0.686062     0.575422  4.89506     270         0.80088     270         
1 1 1 12 0  42 o 8.32303 3.95214 -0.160278    0.481551  -0.160278    0.481551  9.45093     180         30.7129     180         
1 1 1 12 0  43 o 9.45586 4.41153 -0.0659363   0.55667   -0.0659363   0.55667   0.00783648  89.999      0.120085    89.999      
1 1 1 12 0  44 o 9.67627 4.50422 -0.0471634   0.575242  -0.0471634   0.575242  0.049228    180         2.21945     180         
1 1 1 12 0  45 o 11.6885 4.92931 0.326055     0.526486  0.326055     0.526486  1.38395     270         2.11671     90          
1 1 1 12 0  46 o 6.04721 3.0834  -0.835351    0.48759   -0.835351    0.48759   4.75097     180         12.9321     180         
1 1 1 12 0  47 o 36.2988 4.0709  2.73362      0.708361  2.73362      0.708361  34.703      90          3.20298     90          
1 1 1 12 0  48 o 28.7981 5.0036  1.90421      0.646757  1.90421      0.646757  32.3044     180         12.445      180         
1 1 1 12 0  49 o 38.4508 3.83534 3.05906      0.720702  3.05906      0.720702  48.1033     90          26.9591     90          
1 1 1 12 0  50 o 9.11646 4.30054 -0.058894    0.553731  -0.058894    0.553731  1.46385     180         15.6458     180         
1 1 1 12 0  51 o 48.6603 4.11971 4.98864      0.999781  4.98864      0.999781  43.4701     90          0.451019    90          
1 1 1 12 0  52 o 5.27578 2.74851 -1.48765     0.540979  -1.48765     0.540979  2.03388     180         5.22952     180         
1 1 1 12 0  53 o 24.9323 5.92215 1.73104      0.683253  1.73104      0.683253  20.8543     90          1.95638     270         
1 1 1 12 0  54 o 50.7024 3.39654 5.30858      0.873158  5.30858      0.873158  57.2661     1.6284e-08  26.2614     1.6284e-08  
1 1 1 12 0  55 o 15.5411 6.26072 0.972933     0.788213  0.972933     0.788213  8.8161      90          2.85703     270         
1 1 1 12 0  56 o 8.66584 4.20011 -0.165654    0.603585  -0.165654    0.603585  1.14678     8.63512e-06 6.52143     8.63512e-06 
1 1 1 12 0  57 o 16.8741 6.57531 1.23333      0.83415   1.23333      0.83415   12.2673     270         2.07328     270         
1 1 1 12 0  58 o 26.0951 6.12264 2.00938      0.73667   2.00938      0.73667   32.0314     180         22.4612     180         
1 1 1 12 1  0  o 221.586 2.24436 90.0741      2.5767    90.0741      2.5767    272.707     180         78.1938     180         
1 1 1 12 1  1  o 88.2742 2.33517 14.7543      1.0712    13.8774      1.06158   54.0858     168.721     19.5524     348.721     
1 1 1 12 1  2  o 107.679 2.26944 19.8508      1.25241   22.7687      1.27513   87.4547     91.4915     11.8123     271.491     
1 1 1 12 1  3  o 248.407 2.28054 116.69       2.94173   109.719      2.92955   239.188     74.5494     31.9017     254.549     
1 1 1 12 1  4  o 285.737 2.33983 148.603      3.46301   150.921      3.46814   338.996     82.6033     90.4475     82.6033     
1 1 1 12 1  5  o 241.421 2.27095 103.327      2.83112   110.548      2.85096   282.789     359.582     74.4256     359.582     
1 1 1 12 1  6  o 49.7688 2.75602 4.89325      0.707593  4.26388      0.700765  19.5017     122.402     85.6535     122.402     
1 1 1 12 1  7  o 192.549 2.22148 69.5737      2.22294   66.4573      2.21095   199.284     161.849     12.7816     161.85      
1 1 1 12 1  8  o 192.199 2.22442 67.8294      2.21603   67.6974      2.21626   243.563     154.547     110.005     154.547     
1 1 1 12 1  9  o 254.189 2.29506 119.263      3.02735   117.815      3.0206    259.762     209.496     1.15515     29.4961     
1 1 1 12 1  10 o 87.2101 2.48406 13.5133      1.1108    14.4539      1.1301    35.0272     4.90081     85.3866     184.901     
1 1 1 12 1  11 o 177.397 2.37746 61.3176      2.18753   54.2881      2.17929   188.93      198.013     23.6091     198.013     
1 1 1 12 1  12 o 130.859 2.58013 31.184       1.74216   31.7358      1.75471   91.2207     220.138     75.8219     40.1382     
1 1 1 12 1  13 o 130.976 2.48679 29.8387      1.62038   33.2359      1.75415   116.732     249.443     23.9159     69.4429     
1 1 1 12 1  14 o 150.423 2.57559 40.284       2.01604   42.8576      1.99669   113.85      64.7751     75.5811     244.775     
1 1 1 12 1  15 o 52.0855 2.91336 5.23783      0.791809  4.79883      0.768224  11.6862     129.465     1.3289      309.465     
1 1 1 12 1  16 f 118.717 2.42837 25.216       1.49737   26.5953      1.48711   159.835     269.168     0           0           
1 1 1 12 1  17 o 163.122 2.39711 48.7872      2.01795   48.9407      2.03581   145.54      109.261     40.797      289.261     
1 1 1 12 1  18 o 131.959 2.41648 31.7902      1.64516   32.2199      1.65791   134.87      41.7077     5.36766     41.7078     
1 1 1 12 1  19 o 41.6054 3.16721 3.18581      0.664854  3.25764      0.679786  1.40953     115.121     65.4353     295.121     
1 1 1 12 1  20 o 64.5603 2.52128 7.45271      0.843067  7.9158       0.837088  28.0218     120.014     65.3967     300.014     
1 1 1 12 1  21 o 71.9364 2.47625 8.96433      0.913371  10.1175      0.925917  59.6276     96.7375     14.0524     276.738     
1 1 1 12 1  22 o 176.36  2.27237 55.395       2.07427   58.9085      2.07911   171.245     121.472     12.5807     301.472     
1 1 1 12 1  23 o 78.1353 2.46304 10.8214      0.988704  11.6736      1.00077   53.4205     168.834     43.0354     348.834     
1 1 1 12 1  24 o 24.9451 4.26713 1.34074      0.550962  1.05474      0.543514  5.20178     112.073     26.7569     112.073     
1 1 1 12 1  25 o 102.308 2.38715 19.3696      1.27125   19.1515      1.2572    89.9286     137.093     20.6649     317.093     
1 1 1 12 1  26 o 102.293 2.40341 19.1966      1.27481   19.3244      1.27042   89.6016     221.359     21.19       41.3593     
1 1 1 12 1  27 o 56.6936 2.89588 6.98218      0.88483   5.0036       0.799473  57.744      108.543     23.1615     108.543     
1 1 1 12 1  28 o 29.4852 4.19784 1.32478      0.64326   2.03184      0.591191  3.47544     345.917     11.7783     165.917     
1 1 1 12 1  29 o 157.603 2.42117 44.9334      2.04128   46.5333      1.90965   172.19      108.798     34.8633     108.798     
1 1 1 12 1  30 o 66.8044 2.83051 8.77371      0.982491  7.77474      0.966914  51.3359     32.6053     21.5331     212.605     
1 1 1 12 1  31 o 39.4235 3.61137 3.54239      0.68967   2.38179      0.717713  19.8444     201.406     27.1172     21.4056     
1 1 1 12 1  32 f 91.7271 2.90851 15.643       1.38219   15.586       1.37663   60.6357     28.4876     0           0           
1 1 1 12 1  33 o 85.7748 3.09755 12.8163      1.30113   14.6381      1.44547   67.4892     232.322     30.6976     52.3224     
1 1 1 12 1  34 o 53.9854 2.93465 5.3157       0.783126  5.5899       0.846662  50.5061     349.435     0.645106    349.435     
1 1 1 12 1  35 o 21.6651 4.41478 1.30379      0.579434  0.525292     0.508291  6.74854     329.24      4.09692     149.24      
1 1 1 12 1  36 o 83.8833 2.70666 14.1596      1.18139   12.1654      1.16226   80.381      335.391     1.0922      335.391     
1 1 1 12 1  37 o 56.5658 2.9999  6.1315       0.880536  5.95114      0.86588   72.1157     232.963     41.3989     232.963     
1 1 1 12 1  38 o 43.2352 3.46343 2.74904      0.726355  4.55321      0.76149   36.0337     58.7115     7.23133     238.712     
1 1 1 12 1  39 o 48.9189 3.58728 5.52283      0.897034  3.82276      0.871448  48.8341     315.835     7.5135      315.835     
1 1 1 12 1  40 o 24.5247 4.74097 1.64361      0.653225  0.849218     0.622868  12.4432     48.1309     17.5722     228.131     
1 1 1 12 1  41 o 61.2097 2.91752 6.95825      0.878418  7.34322      0.961862  71.2217     118.159     28.9674     118.159     
1 1 1 12 1  42 f 19.5452 4.53819 0.467444     0.53118   1.03103      0.56375   22.1807     237.554     0           0           
1 1 1 12 1  43 o 24.9087 4.40191 2.16446      0.642241  0.430384     0.641348  23.1476     46.9873     5.37417     46.9873     
1 1 1 12 1  44 o 26.2599 4.99812 1.31538      0.696872  1.70129      0.7016    21.0107     318.944     2.48011     138.944     
1 1 1 12 1  45 o 14.8402 4.41086 0.290722     0.594938  0.0944466    0.557806  6.68538     261.23      3.41722     81.2304     
1 1 1 12 1  46 f 20.6324 4.80917 0.675407     0.63355   1.1309       0.590654  16.6068     342.428     0           0           
1 1 1 12 1  47 o 20.2884 4.87314 1.04617      0.642378  0.777196     0.584303  16.8626     227.928     3.42528     227.928     
1 1 1 12 1  48 o 22.5095 4.82862 1.3946       0.629074  0.959457     0.610431  22.3668     94.6129     12.9653     94.6129     
1 1 1 12 1  49 o 13.2082 3.91435 -0.94786     0.512919  0.663957     0.553708  5.0701      126.893     8.25782     306.893     
1 1 1 12 1  50 o 28.8157 4.66457 2.04144      0.684622  1.90559      0.679038  34.3759     111.831     24.4046     111.831     
1 1 1 12 1  51 o 13.6131 4.32582 0.162901     0.639607  -0.0564358   0.638409  5.23454     93.4523     6.91302     273.452     
1 1 1 12 1  52 o 28.6181 5.01266 3.1994       0.839444  1.25144      0.744071  28.9378     66.5138     12.1371     66.5138     
1 1 1 12 1  53 o 9.87569 3.34059 -1.85334     0.508396  0.138801     0.526016  0.737095    275.117     3.8028      95.1166     
1 1 1 12 1  54 f 16.8795 4.82956 0.944573     0.694814  0.548162     0.620321  11.7119     138.575     0           0           
1 1 1 12 1  55 o 26.9496 5.39188 2.42356      0.79464   1.93933      0.792636  22.5076     38.6127     3.12723     38.6127     
1 1 1 12 1  56 f 28.1032 5.71046 2.85368      0.923507  2.19859      0.834331  16.0107     306.03      0           0           
1 1 1 12 1  57 o 16.0093 4.98444 0.794927     0.805374  0.631535     0.802396  8.12418     300.843     3.86421     120.842     
1 1 1 12 1  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 2  0  o 11.9611 4.89225 0.322335     0.492137  0.322335     0.492137  61.3438     180         125.56      180         
1 1 1 12 2  1  o 124.977 2.22014 28.7264      1.43906   28.6039      1.4352    134.369     303.399     61.287      303.399     
1 1 1 12 2  2  o 57.5671 2.65045 5.7753       0.788008  6.4457       0.782977  32.2104     299.441     149.406     299.441     
1 1 1 12 2  3  o 73.6608 2.44945 9.88086      0.936912  10.0706      0.928214  25.0946     217.126     39.0448     37.1263     
1 1 1 12 2  4  o 139.956 2.2094  36.3598      1.60586   35.4965      1.59978   82.0772     302.656     111.772     122.656     
1 1 1 12 2  5  o 145.336 2.20274 40.3981      1.66319   37.1225      1.65389   148.42      49.5548     19.553      49.5548     
1 1 1 12 2  6  o 185.904 2.21317 61.926       2.12788   64.8768      2.1369    144.319     221.548     86.9095     41.5484     
1 1 1 12 2  7  o 34.3705 3.46065 1.87879      0.597096  2.57541      0.586269  95.1836     78.5719     232.421     78.5719     
1 1 1 12 2  8  o 404.763 2.60661 300.865      5.46724   300.443      5.47076   450.512     246.161     60.2942     246.161     
1 1 1 12 2  9  o 179.707 2.36839 60.9668      2.20331   57.5671      2.20764   170.053     343.481     19.8949     163.481     
1 1 1 12 2  10 o 105.566 2.42891 20.7542      1.32426   20.1921      1.33018   104.602     7.37506     41.0093     7.37506     
1 1 1 12 2  11 o 228.677 2.51391 96.3245      2.86158   95.6394      3.09286   225.84      212.044     15.4147     32.0437     
1 1 1 12 2  12 o 168.705 2.79825 52.4898      2.46289   52.0429      2.43123   208.93      248.732     85.0874     248.732     
1 1 1 12 2  13 o 134.664 2.57696 32.9294      1.81139   33.713       1.7823    111.519     197.217     44.1892     17.2169     
1 1 1 12 2  14 o 206.654 2.5913  78.8138      2.79463   78.0327      2.75705   209.206     222.422     3.25612     42.422      
1 1 1 12 2  15 o 280.997 2.44574 141.919      3.67021   148.076      3.44498   325.126     127.699     72.4239     127.699     
1 1 1 12 2  16 o 115.621 2.2796  23.6776      1.35728   25.4619      1.37165   86.1761     9.29415     59.9395     189.294     
1 1 1 12 2  17 o 250.255 2.31634 116.332      3.00701   113.67       3.00234   276.024     209.94      39.0754     209.94      
1 1 1 12 2  18 o 192.606 2.33855 67.1006      2.40386   69.169       2.26093   180.866     13.0838     30.6808     193.084     
1 1 1 12 2  19 o 234.814 2.46369 98.0334      2.98026   104.622      3.01591   285.774     141.259     93.6783     141.259     
1 1 1 12 2  20 o 47.5858 3.20571 5.56604      0.793136  3.03801      0.727403  27.8332     335.105     3.51578     155.105     
1 1 1 12 2  21 f 54.0729 2.79298 5.78428      0.803766  5.04002      0.751051  85.438      78.1518     0           0           
1 1 1 12 2  22 o 118.966 2.39677 25.0448      1.52385   27.0303      1.42177   109.016     297.644     17.3566     117.644     
1 1 1 12 2  23 o 139.038 2.3783  35.0101      1.76587   36.0666      1.65708   118.179     152.573     41.199      332.573     
1 1 1 12 2  24 o 82.0045 2.63654 11.842       1.11446   12.9553      1.11962   94.6134     67.2536     36.9047     67.2536     
1 1 1 12 2  25 o 44.7402 3.13811 3.84411      0.690954  3.60432      0.741727  29.2543     24.6377     12.7545     204.638     
1 1 1 12 2  26 o 37.1482 3.55412 2.99631      0.648499  2.2185       0.667576  18.4078     310.977     7.59401     130.977     
1 1 1 12 2  27 o 57.5025 2.85477 5.3388       0.813676  6.95578      0.872484  54.5986     327.463     9.73898     327.463     
1 1 1 12 2  28 o 79.8234 2.51849 11.3458      1.03725   12.1646      1.0408    43.1667     290.809     67.2675     110.809     
1 1 1 12 2  29 o 73.388  2.58944 10.5224      0.993945  9.38908      0.968759  75.5881     300.782     16.8455     300.782     
1 1 1 12 2  30 o 83.3416 2.51004 12.3545      1.08241   13.3069      1.08009   60.8365     234.051     37.8451     54.0511     
1 1 1 12 2  31 o 22.2255 4.53785 1.14394      0.56766   0.744546     0.548557  3.14699     280.667     29.1991     280.667     
1 1 1 12 2  32 o 17.1472 4.6545  0.631306     0.617183  0.0629628    0.578531  6.01781     69.0893     28.4394     69.0893     
1 1 1 12 2  33 o 73.8625 3.00878 9.86029      1.15371   10.4834      1.13908   78.6357     293.109     16.6486     293.109     
1 1 1 12 2  34 o 42.1645 3.20665 3.23179      0.70301   3.47821      0.674045  27.3102     271.045     22.5398     91.0454     
1 1 1 12 2  35 o 59.4524 2.93306 6.54638      0.903592  6.69988      0.892591  54.2712     224.885     2.79766     44.8849     
1 1 1 12 2  36 o 66.1738 2.67792 9.14512      0.920046  7.28422      0.901898  40.8698     219.75      43.7689     39.7504     
1 1 1 12 2  37 o 76.8992 2.57746 10.8728      1.01972   11.2583      1.02915   97.9661     21.3395     51.7458     21.3395     
1 1 1 12 2  38 o 43.2468 3.39104 3.96805      0.755086  3.239        0.734474  27.5832     303.819     24.8309     123.819     
1 1 1 12 2  39 o 64.0474 3.36376 7.74222      1.15308   8.0104       1.05978   80.0048     174.035     41.1707     174.035     
1 1 1 12 2  40 o 12.7783 4.01783 0.139768     0.571382  -0.569617    0.533449  1.87494     14.8911     5.79499     194.891     
1 1 1 12 2  41 o 14.1624 3.97936 -0.417048    0.495944  0.563059     0.488328  5.42097     26.0084     5.55402     206.008     
1 1 1 12 2  42 o 10.0814 3.38196 -0.459617    0.486226  -0.571053    0.464348  0.247781    134.177     6.99622     134.177     
1 1 1 12 2  43 o 29.9354 4.1512  2.0936       0.631731  1.6142       0.610131  21.9849     38.0843     8.87581     218.084     
1 1 1 12 2  44 o 17.3969 4.54358 0.679975     0.551322  0.410985     0.541045  2.95811     135.383     22.5109     315.383     
1 1 1 12 2  45 f 10.441  3.50131 -0.824897    0.513092  -0.294333    0.51718   8.10056     203.929     0           0           
1 1 1 12 2  46 o 20.6199 4.68277 1.12907      0.571806  0.691471     0.587453  16.5045     144.414     1.51383     144.414     
1 1 1 12 2  47 o 46.2563 3.45913 4.59684      0.78844   4.11219      0.837079  58.5412     39.0648     35.9082     39.0648     
1 1 1 12 2  48 o 14.4188 3.89782 0.95675      0.560633  -1.38468     0.547296  6.55961     140.419     1.61502     140.419     
1 1 1 12 2  49 o 17.1193 4.69279 0.554538     0.606095  0.643367     0.584923  12.2919     150.977     0.0364533   330.977     
1 1 1 12 2  50 o 17.7187 4.65416 1.22171      0.65266   0.0185732    0.613395  5.17429     164.002     18.3575     344.002     
1 1 1 12 2  51 o 14.36   4.42959 0.545852     0.656702  -0.210086    0.62483   3.2791      184.317     0.665097    184.317     
1 1 1 12 2  52 o 20.2131 5.21167 1.3996       0.753636  0.859416     0.677257  16.4822     220.226     6.5498      220.226     
1 1 1 12 2  53 o 15.701  4.66675 0.717342     0.683937  0.322517     0.607955  9.16328     78.345      0.306329    258.345     
1 1 1 12 2  54 o 17.4043 4.80916 1.47242      0.735621  -0.0094189   0.660655  10.7722     89.4911     3.4555      89.4911     
1 1 1 12 2  55 o 15.7012 4.67942 0.595576     0.655353  0.582511     0.645071  6.99087     231.979     0.893734    51.9791     
1 1 1 12 2  56 o 12.4529 4.01603 0.63419      0.638063  -1.53326     0.693816  1.86538     94.5804     1.77734     274.58      
1 1 1 12 2  57 o 12.6676 4.18129 -0.655501    0.723618  0.417795     0.688368  3.51963     358.912     2.6369      178.912     
1 1 1 12 2  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 3  0  o 47.2711 2.90297 4.18987      0.698463  4.18987      0.698463  39.1983     180         139.434     180         
1 1 1 12 3  1  o 369.967 2.51741 253.797      4.82962   248.44       4.82556   404.268     140.509     39.7356     140.509     
1 1 1 12 3  2  o 128.973 2.21764 31.8865      1.49269   29.1821      1.46998   65.0893     212.246     121.758     32.2456     
1 1 1 12 3  3  o 49.4437 2.78949 4.95351      0.710393  4.09651      0.702986  13.1054     17.7761     61.8309     17.7761     
1 1 1 12 3  4  o 320.161 2.4086  187.289      3.99666   188.805      3.99784   382.475     64.0286     104.524     64.0286     
1 1 1 12 3  5  o 178.304 2.21148 56.3378      2.03704   60.3295      2.04952   158.736     334.476     39.3217     154.476     
1 1 1 12 3  6  o 191.504 2.22382 68.9355      2.21318   65.6323      2.20118   244.524     301.221     114.184     301.221     
1 1 1 12 3  7  o 168.97  2.35746 53.7341      2.06892   51.0466      2.05993   129.155     324.789     80.0729     144.789     
1 1 1 12 3  8  o 214.304 2.39572 84.3348      2.65759   84.2022      2.66505   209.424     279.594     16.3029     99.5935     
1 1 1 12 3  9  o 144.846 2.53878 38.7762      1.91225   38.2346      1.90009   164.982     204.963     54.1553     204.963     
1 1 1 12 3  10 o 292.563 2.72044 158.642      4.13227   155.642      4.11881   267.734     322.549     68.1678     142.549     
1 1 1 12 3  11 o 97.3646 2.63969 17.9941      1.3393    16.8741      1.31977   75.8587     218.787     26.1163     38.7867     
1 1 1 12 3  12 o 128.694 2.37955 32.6685      1.60445   28.2343      1.56496   55.0936     48.2006     147.345     228.201     
1 1 1 12 3  13 o 105.017 2.74385 20.9811      1.57509   19.5978      1.40674   110.077     283.799     24.4129     283.799     
1 1 1 12 3  14 o 97.4399 2.58948 16.6698      1.35183   18.2704      1.25045   117.335     83.3684     79.3395     83.3684     
1 1 1 12 3  15 o 136.439 2.55207 34.5649      2.00626   33.8445      1.57996   192.595     108.305     119.16      108.305     
1 1 1 12 3  16 f 41.1289 3.1987  2.81717      0.685649  3.49857      0.641559  24.8949     246.266     0           0           
1 1 1 12 3  17 o 190.724 2.40512 64.563       2.36788   69.092       2.38623   151.384     131.522     86.6698     311.522     
1 1 1 12 3  18 o 95.2111 2.42369 16.6036      1.15194   16.7442      1.23536   92.2362     169.036     0.390864    349.035     
1 1 1 12 3  19 o 24.3936 4.2107  1.31893      0.513694  0.962696     0.548804  1.74534     119.724     6.35324     119.724     
1 1 1 12 3  20 o 154.148 2.52689 45.9214      1.93636   41.5004      2.0856    179.564     224.419     50.939      224.419     
1 1 1 12 3  21 o 206.617 2.44755 77.0851      2.60919   79.8321      2.63332   236.656     17.6569     56.3755     17.6569     
1 1 1 12 3  22 o 152.735 2.36208 43.2063      1.803     42.5257      1.93375   138.52      228.168     28.8878     48.1682     
1 1 1 12 3  23 o 62.6505 2.67701 7.61692      0.842524  6.88172      0.883583  65.192      44.4469     31.0652     44.4469     
1 1 1 12 3  24 o 90.8979 2.40325 14.4205      1.12322   16.0159      1.13574   101.379     184.518     29.236      184.518     
1 1 1 12 3  25 o 141.503 2.30934 37.4297      1.70193   36.1796      1.68572   142.005     179.935     3.0856      179.935     
1 1 1 12 3  26 o 86.9772 2.44932 13.529       1.10114   14.3472      1.10231   75.8289     190.863     16.1818     10.8625     
1 1 1 12 3  27 o 51.5681 2.87501 5.82416      0.770761  4.10984      0.739911  47.3526     21.0028     17.049      21.0027     
1 1 1 12 3  28 o 129.874 2.35044 31.1236      1.58138   30.987       1.58072   148.782     287.287     44.4722     287.287     
1 1 1 12 3  29 o 240.625 2.38178 107.407      2.97259   105.823      2.96891   260.205     130.054     44.4439     130.054     
1 1 1 12 3  30 o 65.7275 2.69249 6.86158      0.902289  9.22259      0.909699  70.3515     328.993     22.3191     328.993     
1 1 1 12 3  31 f 72.7685 2.57913 9.03662      0.966637  10.5979      0.968108  47.0676     189.787     0           0           
1 1 1 12 3  32 o 72.4077 3.01353 9.3253       1.12922   10.2028      1.12064   77.5022     358.929     17.5601     358.929     
1 1 1 12 3  33 o 67.2522 3.08465 9.2122       1.09026   7.7171       1.04566   66.9872     131.992     6.56523     131.992     
1 1 1 12 3  34 o 103.355 2.61477 19.406       1.40134   20.2976      1.39515   104.482     5.54417     10.0009     5.54417     
1 1 1 12 3  35 o 47.8801 3.0455  4.64143      0.734335  4.00424      0.755516  51.6273     181.626     17.4724     181.626     
1 1 1 12 3  36 o 41.5261 3.17917 3.47025      0.686167  3.08397      0.660008  37.1229     124.935     0.255311    304.935     
1 1 1 12 3  37 o 26.7851 4.09347 1.87418      0.569635  1.0186       0.544221  22.1454     216.198     7.876       216.198     
1 1 1 12 3  38 o 75.3552 2.62654 9.75872      1.0076    11.6288      1.03389   74.7697     104.714     7.3893      104.714     
1 1 1 12 3  39 o 79.5732 3.35143 12.68        1.38659   11.6235      1.3644    81.3409     314.107     12.9544     314.107     
1 1 1 12 3  40 o 72.4707 3.29235 10.7534      1.29927   9.45501      1.16239   66.2693     184.679     3.28586     4.67945     
1 1 1 12 3  41 o 32.8981 4.07246 1.93407      0.669371  2.43477      0.6639    24.512      237.154     10.1982     57.1538     
1 1 1 12 3  42 o 39.102  3.56934 3.41107      0.737183  2.65505      0.673239  28.4206     272.522     14.3377     92.5216     
1 1 1 12 3  43 o 34.1564 3.79153 2.63433      0.645631  2.08898      0.645545  38.4716     295.828     17.6469     295.828     
1 1 1 12 3  44 o 19.2702 4.23958 -0.0612189   0.557229  1.36125      0.565606  10.1498     321.164     10.8431     141.164     
1 1 1 12 3  45 o 30.1549 4.36622 2.24966      0.677322  1.63496      0.643144  14.4093     244.68      24.4251     64.6798     
1 1 1 12 3  46 f 47.1954 3.56597 4.09774      0.843517  4.94052      0.869116  35.7892     27.9267     0           0           
1 1 1 12 3  47 o 59.874  3.05124 6.97269      0.943121  7.28441      0.937549  67.0126     181.631     26.7136     181.631     
1 1 1 12 3  48 o 12.9939 3.97163 0.430806     0.543736  -0.51624     0.507579  5.43226     78.2359     1.3862      258.236     
1 1 1 12 3  49 o 18.8674 4.82271 0.802739     0.62014   0.839497     0.591626  14.422      31.7622     0.0525561   31.7621     
1 1 1 12 3  50 o 34.007  4.2884  2.29899      0.72721   2.99346      0.721165  33.6782     185.898     9.36237     185.898     
1 1 1 12 3  51 o 26.613  5.06054 1.37488      0.736642  2.33571      0.738694  24.9855     119.185     7.3153      119.185     
1 1 1 12 3  52 o 11.5649 3.84129 -0.532438    0.601192  -0.0717675   0.584657  2.1565      198.423     8.24255     18.4228     
1 1 1 12 3  53 f 18.3287 5.08313 0.722794     0.679296  1.12744      0.735943  12.2075     83.1965     0           0           
1 1 1 12 3  54 o 12.2405 4.04263 -0.233887    0.566305  0.0341403    0.689707  3.00883     110.641     5.60199     290.641     
1 1 1 12 3  55 o 23.9036 4.8389  2.47239      0.721373  0.832398     0.713968  21.4588     56.4657     10.7836     56.4657     
1 1 1 12 3  56 o 19.104  5.24436 1.59997      0.791972  0.729888     0.743997  10.684      316.881     5.98172     136.881     
1 1 1 12 3  57 o 18.7151 5.49303 2.05138      0.964694  0.425813     0.911699  12.8805     303.759     2.10303     303.759     
1 1 1 12 3  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 4  0  o 194.785 2.38323 69.6319      2.40469   69.6319      2.40469   182.505     180         44.1141     8.63766e-06 
1 1 1 12 4  1  o 44.1287 3.17569 4.01199      0.715968  3.23375      0.709764  38.2467     53.2831     121.853     53.2831     
1 1 1 12 4  2  o 284.823 2.49889 149.475      3.69578   148.213      3.68297   319.133     149.122     53.2233     149.122     
1 1 1 12 4  3  o 111.519 2.41619 24.0315      1.40037   21.6752      1.3876    66.9134     173.511     74.4152     353.511     
1 1 1 12 4  4  o 170.816 2.3894  52.4816      2.11278   54.5924      2.11803   139.763     27.4859     61.5936     207.486     
1 1 1 12 4  5  f 167.383 2.56432 55.9479      2.22678   47.0679      2.21184   113.154     138.017     0           0           
1 1 1 12 4  6  o 127.535 2.79485 30.6708      1.84814   29.1093      1.84189   87.7323     165.4       71.1009     345.4       
1 1 1 12 4  7  o 122.076 2.8016  27.4892      1.77636   27.2833      1.76462   30.9337     56.5749     179.058     236.575     
1 1 1 12 4  8  o 90.3177 2.9302  16.5014      1.51905   13.5893      1.22029   26.2949     123.201     226.914     123.201     
1 1 1 12 4  9  f 192.11  2.67199 67.6577      2.78575   67.848       2.5293    141.104     10.5911     0           0           
1 1 1 12 4  10 o 87.2619 2.79414 14.1268      1.32123   13.8965      1.19781   27.3299     39.0634     108.976     219.063     
1 1 1 12 4  11 o 171.825 2.45981 54.4388      2.12314   53.9551      2.25596   174.574     354.606     3.74022     354.606     
1 1 1 12 4  12 o 99.5547 2.48276 19.5995      1.18648   16.8884      1.34892   72.2906     16.0551     46.2258     196.055     
1 1 1 12 4  13 o 94.3546 2.59862 17.1735      1.23643   15.5942      1.29481   45.3731     353.14      93.6177     173.14      
1 1 1 12 4  14 o 90.9871 2.58373 15.3584      1.18056   15.1006      1.24997   103.437     180.475     39.1899     180.475     
1 1 1 12 4  15 o 202.587 2.40959 76.4314      2.54214   74.3072      2.51853   221.114     249.027     28.3938     249.027     
1 1 1 12 4  16 o 100.731 2.3092  19.1278      1.2118    18.1804      1.19624   69.5505     59.6437     60.9087     239.644     
1 1 1 12 4  17 o 259.663 2.33071 126.133      3.1454    121.549      3.1283    291.954     168.609     53.0462     168.609     
1 1 1 12 4  18 o 59.0674 2.59001 5.57339      0.776786  7.3614       0.791241  49.7901     14.6013     21.8763     14.6013     
1 1 1 12 4  19 o 118.428 2.28457 25.1858      1.40051   26.3828      1.40123   107.398     197.652     20.2417     17.6519     
1 1 1 12 4  20 o 105.322 2.30255 20.2422      1.25766   20.5526      1.25337   102.885     183.855     0.00781493  3.85547     
1 1 1 12 4  21 o 126.554 2.46449 28.6149      1.60338   30.3118      1.62655   150.763     122.554     52.9751     122.554     
1 1 1 12 4  22 o 81.0992 2.59675 11.7915      1.08429   12.4476      1.09291   68.9311     327.657     16.8133     147.657     
1 1 1 12 4  23 o 86.5817 2.50938 13.8833      1.09308   13.7257      1.15336   73.4829     272.397     20.094      92.3973     
1 1 1 12 4  24 o 152.231 2.28584 41.3108      1.79994   43.8828      1.80654   167.009     246.128     31.4109     246.128     
1 1 1 12 4  25 o 38.5459 3.28727 2.84706      0.644035  2.71067      0.642758  14.2499     48.3553     33.5552     228.355     
1 1 1 12 4  26 o 68.3927 2.61839 7.94226      0.923352  9.35385      0.92117   58.1817     293.664     11.239      113.664     
1 1 1 12 4  27 o 24.2854 4.24087 0.622394     0.551356  1.65672      0.56181   20.6697     255.051     74.9603     255.051     
1 1 1 12 4  28 f 55.2643 2.78646 4.93369      0.783147  6.4333       0.792635  47.6889     29.2084     0           0           
1 1 1 12 4  29 o 150.814 2.33949 43.8201      1.84148   39.9919      1.8146    162.475     318.248     29.9282     318.248     
1 1 1 12 4  30 o 61.6663 2.68195 7.16169      0.856386  6.93185      0.849822  47.0196     15.2354     20.4236     195.235     
1 1 1 12 4  31 o 18.9593 4.43923 0.96406      0.554402  0.261833     0.514745  8.89339     198.536     40.3817     198.536     
1 1 1 12 4  32 o 124.574 2.7764  30.5209      1.814     27.0988      1.76494   114.855     112.268     12.8409     292.268     
1 1 1 12 4  33 o 51.4655 3.36968 4.58049      0.880919  5.40799      0.892016  56.5328     283.874     19.6114     283.874     
1 1 1 12 4  34 o 70.7842 2.68892 9.38854      0.959237  9.28627      1.00583   70.4138     14.4208     6.86661     14.4208     
1 1 1 12 4  35 f 123.764 2.42283 28.7567      1.56094   28.1721      1.54475   120.423     3.83112     0           0           
1 1 1 12 4  36 o 40.6233 3.20535 3.09936      0.668205  3.18206      0.658413  32.6111     308.686     8.1704      128.686     
1 1 1 12 4  37 o 12.1163 3.64892 0.324247     0.460783  -0.701482    0.441371  7.09076     180.723     27.8397     180.723     
1 1 1 12 4  38 o 18.984  4.39498 0.970287     0.525333  0.363294     0.516262  0.398946    143.273     30.4347     323.273     
1 1 1 12 4  39 f 43.859  3.96265 3.85427      0.830708  3.73393      0.923783  34.7863     303.935     0           0           
1 1 1 12 4  40 o 62.827  3.53149 8.35469      1.16291   6.98064      1.11454   59.7583     333.544     2.39895     333.545     
1 1 1 12 4  41 o 17.4824 4.50909 0.797885     0.573875  0.236095     0.520025  11.262      91.2881     0.495916    91.2881     
1 1 1 12 4  42 o 17.5971 4.47433 0.682913     0.537273  0.451683     0.508461  11.4611     100.931     0.98418     280.931     
1 1 1 12 4  43 o 27.8806 4.25802 1.81664      0.604517  1.43689      0.591776  31.6218     222.173     21.0525     222.173     
1 1 1 12 4  44 o 21.6407 4.52336 1.39314      0.578846  0.581261     0.564557  14.5259     86.0023     6.34663     266.002     
1 1 1 12 4  45 o 67.8683 2.83593 9.05691      0.999635  8.83214      0.986838  73.5711     356.826     23.9252     356.826     
1 1 1 12 4  46 o 20.9941 4.89985 1.059        0.621546  0.886279     0.619757  9.83412     308.223     15.2042     128.223     
1 1 1 12 4  47 o 33.3771 4.33102 2.70374      0.702314  2.15514      0.734106  26.2882     338.252     5.77577     158.252     
1 1 1 12 4  48 f 21.634  4.46137 0.322339     0.593249  1.76138      0.623987  20.5458     344.669     0           0           
1 1 1 12 4  49 o 19.211  4.87296 0.800901     0.635226  0.936141     0.602983  4.40911     351.208     23.158      171.208     
1 1 1 12 4  50 o 16.9063 4.44819 1.14452      0.609813  -0.0935486   0.569536  4.57704     233.612     17.7873     53.6118     
1 1 1 12 4  51 f 14.2468 4.34936 -0.223076    0.624296  0.569176     0.6075    6.68663     2.16329     0           0           
1 1 1 12 4  52 o 21.5006 5.22719 1.05505      0.768305  1.53754      0.687852  15.2565     172.907     2.76162     352.907     
1 1 1 12 4  53 o 17.2775 4.92683 0.783452     0.688138  0.76904      0.670917  9.66749     332.968     5.7868      152.968     
1 1 1 12 4  54 o 22.4652 5.09766 1.23613      0.675662  1.71427      0.688099  17.2921     127.342     0.853424    127.342     
1 1 1 12 4  55 o 24.2858 5.15864 1.36006      0.71938   2.15791      0.729096  18.0718     18.4002     0.790969    198.4       
1 1 1 12 4  56 o 19.923  5.20317 1.79932      0.774913  0.740393     0.72197   14.3017     187.206     6.05485     187.206     
1 1 1 12 4  57 o 12.9969 4.31989 -0.163616    0.693249  0.226753     0.786538  3.98139     296.763     1.65168     116.763     
1 1 1 12 4  58 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 5  0  f 157.758 3.10439 45.7606      2.53418   45.7606      2.53418   48.9208     360         0           0           
1 1 1 12 5  1  o 154.739 3.11066 39.6732      2.46625   48.5548      2.5031    91.4592     201.237     126.219     21.2369     
1 1 1 12 5  2  o 266.328 3.24166 129.786      4.46817   130.756      4.48228   307.197     348.785     69.9764     348.785     
1 1 1 12 5  3  o 242.779 3.04057 109.23       4.02814   107.23       3.61722   220.145     303.959     56.8124     123.959     
1 1 1 12 5  4  o 17.0186 4.65919 0.333519     0.572186  0.341022     0.598666  31.1391     325.35      65.8948     325.35      
1 1 1 12 5  5  o 208.362 2.96495 80.8257      3.03634   78.618       3.35542   245.244     238.292     71.6916     238.292     
1 1 1 12 5  6  o 146.666 2.78073 40.9016      2.12322   38.1624      2.09994   119.213     318.258     51.4502     138.258     
1 1 1 12 5  7  o 80.5623 2.96629 12.4423      1.24861   11.4705      1.21975   53.8085     324.351     15.6272     144.351     
1 1 1 12 5  8  o 66.594  3.09955 7.60543      1.05132   8.77972      1.07382   22.6618     48.0377     4.03646     228.038     
1 1 1 12 5  9  o 340.025 2.63612 214.21       4.65205   210.351      4.64034   325.193     244.693     52.4117     64.6933     
1 1 1 12 5  10 o 280.652 2.5127  145.288      3.66058   143.926      3.65028   295.032     230.444     12.9848     230.444     
1 1 1 12 5  11 o 54.6818 2.73998 5.37533      0.793592  5.66527      0.747107  16.2307     173.302     48.0264     353.302     
1 1 1 12 5  12 o 145.096 2.22842 39.1185      1.68466   38.1694      1.66739   124.277     188.895     43.5254     8.89478     
1 1 1 12 5  13 o 119.014 2.25769 25.3903      1.38953   26.6578      1.39303   82.6744     180.357     73.3191     0.356744    
1 1 1 12 5  14 o 138.675 2.40639 34.8133      1.7342    35.8172      1.72497   143.709     173.614     8.32556     173.614     
1 1 1 12 5  15 o 109.538 2.54583 21.3221      1.38305   22.8206      1.50439   140.112     5.71735     69.0667     5.71735     
1 1 1 12 5  16 o 64.0516 2.50037 7.3777       0.827213  7.74405      0.826268  50.7083     193.033     13.3163     13.0332     
1 1 1 12 5  17 o 261.688 2.33453 129.558      3.17726   122.061      3.15474   264.354     114.549     5.6064      294.549     
1 1 1 12 5  18 o 70.3107 2.45091 9.63759      0.896272  8.58788      0.883162  53.771      211.316     23.0567     31.3164     
1 1 1 12 5  19 o 190.445 2.26579 63.9014      2.23141   69.3998      2.23959   210.319     75.7733     36.5883     75.7733     
1 1 1 12 5  20 o 59.4331 2.60647 6.70264      0.803773  6.33701      0.794063  8.74549     349.568     130.765     349.568     
1 1 1 12 5  21 o 86.778  2.39347 13.4782      1.07756   14.2458      1.07074   107.999     83.1904     58.0209     83.1904     
1 1 1 12 5  22 o 48.9603 2.93291 4.47625      0.766219  4.40962      0.70761   31.5356     272.524     11.9153     272.524     
1 1 1 12 5  23 o 27.1027 4.30355 1.68265      0.596785  1.15311      0.588178  6.98514     191.905     45.4871     191.905     
1 1 1 12 5  24 o 51.9241 3.0834  6.09243      0.825392  4.01814      0.795353  41.5558     269.112     6.49828     89.1124     
1 1 1 12 5  25 o 176.033 2.30864 58.1074      2.11448   55.8428      2.09838   192.545     7.84695     35.2207     7.84694     
1 1 1 12 5  26 o 76.5773 2.51714 9.89859      0.988977  11.7696      0.998913  74.2302     220.882     4.7785      220.882     
1 1 1 12 5  27 o 128.743 2.34624 31.0405      1.57244   29.9954      1.55637   165.63      173.573     82.203      173.573     
1 1 1 12 5  28 o 107.941 2.38506 21.5029      1.33411   21.4447      1.33162   148.708     192.731     95.6994     192.731     
1 1 1 12 5  29 o 67.3925 2.61043 9.62911      0.921353  7.25806      0.885982  62.9357     105.127     1.6876      105.127     
1 1 1 12 5  30 o 30.8098 3.82348 1.60469      0.587154  2.04128      0.585522  7.17118     127.279     34.2551     307.279     
1 1 1 12 5  31 o 94.8972 2.63164 17.7281      1.39156   15.6641      1.19335   77.4968     199.926     28.7377     19.9258     
1 1 1 12 5  32 o 45.5278 3.92345 3.52198      0.909691  4.38478      0.889996  21.112      189.41      42.7225     9.40994     
1 1 1 12 5  33 o 103.914 2.80262 18.5843      1.49405   21.6661      1.51424   112.203     184.01      24.5348     184.01      
1 1 1 12 5  34 o 19.0395 4.31879 0.986311     0.522142  0.321621     0.492319  4.79759     29.5149     37.8233     29.5149     
1 1 1 12 5  35 o 37.891  3.34233 2.64966      0.64084   2.83075      0.642998  29.2877     74.0213     22.6535     74.0213     
1 1 1 12 5  36 o 13.8522 4.02164 0.350652     0.494753  -0.134866    0.4582    1.61869     201.217     13.9563     201.217     
1 1 1 12 5  37 o 24.5387 4.14409 1.82085      0.561909  0.630821     0.535042  15.5687     177.415     8.88256     357.415     
1 1 1 12 5  38 o 33.6525 3.61866 2.23804      0.608445  2.19787      0.614195  16.6839     159.838     27.8128     339.838     
1 1 1 12 5  39 f 61.0847 3.55084 5.57018      1.06764   9.08743      1.1128    64.2605     280.032     0           0           
1 1 1 12 5  40 o 68.5705 3.31205 8.93134      1.124     9.19445      1.21543   59.6535     82.5699     8.71851     262.57      
1 1 1 12 5  41 o 60.4677 3.05944 7.47286      0.960592  6.60885      0.942631  73.505      10.0351     35.8613     10.0351     
1 1 1 12 5  42 o 73.3579 2.73593 9.68804      1.02895   10.9116      1.04214   83.8078     229.678     32.3347     229.678     
1 1 1 12 5  43 o 19.2562 4.47344 0.435883     0.546241  1.02848      0.532582  4.3042      348.974     23.6934     168.974     
1 1 1 12 5  44 o 11.8507 3.75804 -0.448775    0.5017    0.0697154    0.482522  3.08815     300.802     23.1799     300.802     
1 1 1 12 5  45 o 14.8418 4.23356 0.0381859    0.52409   0.478188     0.508376  3.0029      52.0307     0.490015    52.0307     
1 1 1 12 5  46 o 36.6711 4.0567  1.7977       0.699544  4.04806      0.714449  34.9181     50.8761     5.56029     50.8761     
1 1 1 12 5  47 o 15.3433 4.29373 -0.404163    0.548987  0.845349     0.595962  4.52782     176.27      1.84188     176.27      
1 1 1 12 5  48 o 16.5892 4.58669 0.352154     0.572721  0.689606     0.584009  7.82783     254.689     10.1682     74.6889     
1 1 1 12 5  49 o 24.7198 4.84366 1.70518      0.664443  1.29041      0.626791  18.316      4.95755     4.62133     184.958     
1 1 1 12 5  50 o 30.6977 4.5981  2.24171      0.718597  2.25732      0.699119  29.3676     343.495     7.44228     343.495     
1 1 1 12 5  51 o 37.203  4.55568 2.94756      0.855737  3.72289      0.823541  41.1231     282.227     20.1417     282.227     
1 1 1 12 5  52 o 17.1878 4.83541 0.248629     0.676328  1.11128      0.684496  10.9338     20.5306     3.65756     20.5306     
1 1 1 12 5  53 f 44.7665 3.76019 4.55376      0.856424  4.65973      0.854413  29.6318     177.197     0           0           
1 1 1 12 5  54 o 13.0402 4.16119 0.194977     0.612523  0.0615337    0.580469  3.12279     190.831     2.27461     10.8313     
1 1 1 12 5  55 o 27.9455 5.01072 2.71096      0.750247  1.72489      0.74034   27.1128     126.875     12.1864     126.875     
1 1 1 12 5  56 o 16.7723 4.60323 -0.546731    0.720737  1.57295      0.705738  9.60928     233.485     2.19828     53.4849     
1 1 1 12 5  57 o 19.9264 4.85794 -0.30443     0.726079  2.52706      0.839671  16.0482     329.591     7.36824     329.591     
1 1 1 12 6  0  o 403.455 3.66256 298.918      7.65683   298.918      7.65683   429.715     180         16.3829     180         
1 1 1 12 6  1  o 79.8372 3.38228 13.2803      1.40008   10.3205      1.37239   46.273      341.51      33.4336     161.51      
1 1 1 12 6  2  o 208.784 3.11147 77.7188      3.33974   82.4487      3.39424   260.501     201.43      102.399     201.43      
1 1 1 12 6  3  o 273.008 3.26314 137.657      4.5947    136.217      4.6406    338.307     105.567     118.717     105.567     
1 1 1 12 6  4  o 72.3479 3.03742 9.04537      1.01797   10.2689      1.24928   11.2935     9.91448     103.324     189.914     
1 1 1 12 6  5  o 174.811 2.79704 54.7746      2.27619   57.4678      2.77874   189.471     345.336     30.0689     345.336     
1 1 1 12 6  6  o 197.904 2.58267 72.2379      2.42641   71.5652      2.8531    202.603     153.958     4.59698     153.959     
1 1 1 12 6  7  o 272.751 2.50844 136.736      3.29472   136.4        3.78091   316.849     41.1275     74.6587     41.1275     
1 1 1 12 6  8  o 99.046  2.36885 18.1479      1.17232   17.9073      1.25455   64.0516     188.499     61.2804     8.49864     
1 1 1 12 6  9  f 206.827 2.40295 80.2429      2.58923   76.8336      2.5628    137.831     84.455      0           0           
1 1 1 12 6  10 o 188.774 2.4027  68.8549      2.36408   62.079       2.33481   184.75      335.751     14.3193     155.751     
1 1 1 12 6  11 o 345.917 2.65503 221.058      4.76566   218.52       4.75571   384.139     305.005     55.305      305.005     
1 1 1 12 6  12 o 126.383 2.42727 30.8034      1.60208   27.9346      1.57366   144.814     284.705     38.5145     284.705     
1 1 1 12 6  13 o 169.298 2.32069 54.307       2.12002   50.9731      1.95346   171.538     157.303     0.715968    337.303     
1 1 1 12 6  14 o 92.9667 2.51734 14.2887      1.20331   17.5965      1.20891   78.6104     302.619     24.3003     122.619     
1 1 1 12 6  15 o 127.995 2.41922 30.7762      1.61272   29.4602      1.59436   77.4912     165.322     102.861     345.322     
1 1 1 12 6  16 o 52.3204 2.70709 6.00697      0.740906  4.19215      0.70447   6.70174     159.088     110.704     159.088     
1 1 1 12 6  17 o 138.309 2.2454  37.1715      1.62304   33.1529      1.59413   124.712     211.719     27.5651     31.719      
1 1 1 12 6  18 o 120.129 2.28028 26.5807      1.4235    26.4744      1.4138    160.942     278.521     90.4689     278.521     
1 1 1 12 6  19 o 78.8354 2.41598 11.4274      0.987125  11.4564      0.982762  73.1798     167.315     1.13333     347.315     
1 1 1 12 6  20 o 145.897 2.26557 39.1867      1.71668   39.0236      1.71009   126.773     101.283     37.9954     281.283     
1 1 1 12 6  21 o 142.924 2.28032 36.6289      1.68744   38.4447      1.69069   144.242     270.738     4.2535      270.738     
1 1 1 12 6  22 o 82.1322 2.43249 12.1972      1.03582   12.647       1.03044   39.3012     325.118     81.332      145.118     
1 1 1 12 6  23 o 229.917 2.42045 97.6993      2.98785   96.6663      2.77873   277.276     109.261     94.2562     109.261     
1 1 1 12 6  24 o 70.3585 2.75165 8.75824      0.987955  9.52872      1.01079   71.9553     343.439     14.1461     343.439     
1 1 1 12 6  25 o 24.6951 4.46274 1.73303      0.617134  0.611578     0.594148  2.37022     301.724     20.4081     301.724     
1 1 1 12 6  26 o 104.201 2.38568 18.3373      1.27955   21.7292      1.28783   103.047     304.789     4.67772     304.789     
1 1 1 12 6  27 o 76.0486 2.51986 10.8435      0.995083  10.508       0.986007  87.7505     211.174     38.3791     211.174     
1 1 1 12 6  28 o 64.0722 2.63782 7.69797      0.880696  7.494        0.863916  50.832      355.844     16.1962     175.844     
1 1 1 12 6  29 o 53.6751 2.85194 6.80085      0.792442  4.07977      0.751203  49.5148     347.809     4.22238     347.809     
1 1 1 12 6  30 o 41.26   3.1759  3.62483      0.681924  2.79119      0.648551  32.1796     312.407     6.89232     132.407     
1 1 1 12 6  31 o 133.461 2.70986 32.7012      1.87377   33.336       1.8716    154.461     22.6892     49.6286     22.6892     
1 1 1 12 6  32 o 92.4837 3.14157 17.4417      1.5149    14.5595      1.4816    89.3161     261.039     0.849201    261.039     
1 1 1 12 6  33 o 37.7455 3.45459 2.45188      0.631066  2.98623      0.688307  27.2193     278.753     12.518      98.7531     
1 1 1 12 6  34 o 24.9946 3.92234 0.423754     0.540266  2.0823       0.537041  14.5908     281.616     3.51184     101.616     
1 1 1 12 6  35 o 37.5801 3.33113 2.65422      0.635596  2.74583      0.633534  23.1532     289.984     21.5572     109.984     
1 1 1 12 6  36 o 77.0338 2.59197 12.3032      1.04473   9.99603      1.01357   89.7623     23.641      34.6704     23.641      
1 1 1 12 6  37 o 83.928  2.55863 11.9148      1.09468   14.6027      1.11967   77.8663     286.624     2.89249     106.624     
1 1 1 12 6  38 o 41.7024 3.30648 3.00824      0.694084  3.72924      0.703822  46.5624     238.373     18.0841     238.373     
1 1 1 12 6  39 o 33.9798 4.55138 2.65623      0.792629  2.07074      0.751401  35.9227     222.641     12.2113     222.641     
1 1 1 12 6  40 o 28.2541 4.18609 2.29172      0.610285  1.03652      0.591249  31.7058     23.4254     17.4693     23.4254     
1 1 1 12 6  41 o 28.2266 4.56081 1.97121      0.668527  1.38037      0.643602  11.8916     224.08      26.4936     44.0803     
1 1 1 12 6  42 o 18.355  4.4561  1.10143      0.598339  0.145346     0.506     13.0394     198.611     2.84958     198.611     
1 1 1 12 6  43 o 27.4292 4.21738 2.32215      0.621837  0.926028     0.576444  29.7727     198.59      15.5009     198.59      
1 1 1 12 6  44 o 36.6233 3.64897 2.96426      0.680317  2.48316      0.663172  40.6138     283.155     17.5189     283.155     
1 1 1 12 6  45 o 15.4391 4.4001  0.363899     0.554974  0.314191     0.528222  4.16887     50.7575     15.2366     230.758     
1 1 1 12 6  46 o 23.0111 4.63191 0.987004     0.596862  1.39091      0.577174  22.7743     321.113     10.7864     321.113     
1 1 1 12 6  47 o 24.1114 4.83593 1.63077      0.66312   1.09901      0.614727  19.8762     39.9094     0.0338941   219.914     
1 1 1 12 6  48 o 14.1405 4.23833 0.608718     0.594168  -0.447651    0.57357   5.95951     95.2719     8.55098     275.272     
1 1 1 12 6  49 o 15.5163 4.47052 0.238623     0.566956  0.593047     0.579067  7.86428     340.056     7.00394     160.056     
1 1 1 12 6  50 o 20.9092 4.50306 1.98424      0.689948  0.0996237    0.590921  18.1789     142.785     5.66953     142.785     
1 1 1 12 6  51 o 22.5427 5.31754 2.17421      0.843507  0.729407     0.714468  16.9013     246.842     1.31416     66.8425     
1 1 1 12 6  52 o 14.9924 4.58468 0.592565     0.644705  0.113196     0.692431  7.90878     165.723     0.488433    345.723     
1 1 1 12 6  53 o 13.3061 4.19064 0.455301     0.611595  -0.168523    0.580059  4.51533     218.987     6.24432     38.9873     
1 1 1 12 6  54 o 15.1545 4.49087 0.881779     0.63472   0.0149542    0.615913  5.61951     96.0258     0.518665    276.026     
1 1 1 12 6  55 o 16.6298 4.74669 0.408798     0.651466  1.03823      0.652719  8.90702     52.3172     2.32332     232.317     
1 1 1 12 6  56 o 14.4389 4.567   0.491752     0.698609  0.319532     0.706745  4.04342     99.1015     0.295837    99.1015     
1 1 1 12 6  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 7  0  o 322.887 2.59867 191.311      4.34816   191.311      4.34816   419.366     8.33901e-06 166.299     8.33901e-06 
1 1 1 12 7  1  f 213.56  2.4106  84.9868      2.6732    82.4471      2.66358   140.879     90.4127     0           0           
1 1 1 12 7  2  o 196.216 2.38375 70.8296      2.42863   70.5024      2.42043   214.187     244.603     32.076      244.603     
1 1 1 12 7  3  o 56.7533 2.78172 6.02181      0.82721   5.8656       0.799368  0.725445    184.691     92.1802     184.691     
1 1 1 12 7  4  o 33.4973 3.63513 2.03896      0.616995  2.1846       0.604003  15.2089     93.5842     50.1727     93.5842     
1 1 1 12 7  5  o 157.365 2.21914 47.2488      1.81172   43.6804      1.80676   168.342     309.606     23.2082     309.606     
1 1 1 12 7  6  o 126.854 2.23355 28.3952      1.47041   30.7146      1.46366   135.342     269.502     24.0595     269.502     
1 1 1 12 7  7  o 170.945 2.29091 53.5         2.09582   53.7781      1.96159   173.88      159.98      2.80425     159.98      
1 1 1 12 7  8  o 208.71  2.3263  80.8939      2.60691   79.041       2.42515   171.481     306.168     83.9557     126.168     
1 1 1 12 7  9  o 174.547 2.29144 55.333       2.13383   56.5291      2.00928   195.783     139.956     38.3974     139.956     
1 1 1 12 7  10 o 144.816 2.37097 40.2193      1.78832   36.8297      1.76948   121.869     58.9409     49.4063     238.941     
1 1 1 12 7  11 o 173.942 2.4002  55.1554      2.00839   55.9647      2.31131   195.551     142.879     38.384      142.879     
1 1 1 12 7  12 o 86.057  2.71756 12.7476      1.12399   14.5535      1.29571   78.7347     212.281     7.68064     32.2814     
1 1 1 12 7  13 o 106.332 2.54906 22.3282      1.36436   19.318       1.43026   102.926     282.673     3.3229      102.673     
1 1 1 12 7  14 o 96.4414 2.80797 16.4441      1.34774   17.8259      1.4543    116.11      132.444     49.9249     132.444     
1 1 1 12 7  15 o 64.1759 2.81032 8.24451      0.979304  6.98453      0.881995  29.7459     251.025     60.5441     71.0248     
1 1 1 12 7  16 o 107.784 2.37292 21.2876      1.37609   21.4392      1.26964   131.421     240.483     55.5616     240.483     
1 1 1 12 7  17 o 120.319 2.27577 26.5389      1.41961   26.6839      1.41655   98.9935     2.29528     40.7948     182.295     
1 1 1 12 7  18 o 25.6347 4.00729 1.05215      0.526095  1.47549      0.513778  2.40566     101.763     10.8711     101.763     
1 1 1 12 7  19 o 205.507 2.27849 77.518       2.42997   77.663       2.42441   264.05      157.039     116.115     157.039     
1 1 1 12 7  20 o 114.024 2.30883 23.8132      1.36524   24.0045      1.36119   126.324     293.223     29.9266     293.223     
1 1 1 12 7  21 o 63.4785 2.58121 7.00194      0.847348  7.8786       0.84144   44.1082     92.4652     29.5965     272.465     
1 1 1 12 7  22 o 22.2655 4.33755 1.11598      0.528476  0.774734     0.513052  7.94677     68.3507     32.6114     68.3507     
1 1 1 12 7  23 o 46.6244 2.91829 4.26944      0.705845  3.80567      0.689157  28.6125     84.7569     22.5096     264.757     
1 1 1 12 7  24 o 105.456 2.38246 21.2752      1.31837   19.688       1.28264   65.8913     192.309     74.9728     12.3091     
1 1 1 12 7  25 o 12.6268 3.75229 -1.07421     0.481872  0.400324     0.50589   41.5257     245.15      94.2625     245.15      
1 1 1 12 7  26 o 111.633 2.54583 22.2564      1.4605    23.7069      1.48147   95.8408     149.795     25.0861     329.795     
1 1 1 12 7  27 o 45.4799 2.99997 3.96678      0.701221  3.74033      0.696551  32.657      349.954     6.76374     169.954     
1 1 1 12 7  28 o 155.449 2.33153 41.8992      1.86682   47.2333      1.88664   180.07      233.71      56.8106     233.71      
1 1 1 12 7  29 o 44.574  3.03376 3.8834       0.69586   3.54695      0.687866  31.662      104.703     15.7201     284.703     
1 1 1 12 7  30 o 136.852 2.49133 34.0226      1.76158   35.2648      1.7698    150.281     308.571     34.2854     308.571     
1 1 1 12 7  31 o 109.464 2.73662 23.0604      1.55743   21.4543      1.54225   106.782     243.41      1.99557     243.41      
1 1 1 12 7  32 o 81.587  2.92298 12.7651      1.24906   12.0835      1.21522   101.575     22.8427     49.0299     22.8427     
1 1 1 12 7  33 f 69.0904 2.68871 9.02306      0.936334  8.79299      0.980768  34.6583     203.535     0           0           
1 1 1 12 7  34 o 71.5072 2.5755  10.1011      0.958184  9.00622      0.94315   88.545      223.858     43.7463     223.858     
1 1 1 12 7  35 o 74.9339 2.58926 10.4524      1.00494   10.5704      1.00039   64.543      81.3393     12.6162     261.339     
1 1 1 12 7  36 f 51.2606 2.88778 4.61895      0.759426  5.34442      0.758904  39.7572     307.823     0           0           
1 1 1 12 7  37 f 45.7591 3.06117 4.00524      0.721175  4.00119      0.713734  42.3853     351.347     0           0           
1 1 1 12 7  38 o 53.4909 3.07755 5.89491      0.863446  5.0752       0.826961  42.5051     355.947     14.4581     175.947     
1 1 1 12 7  39 o 33.5085 4.31916 2.58423      0.742438  1.98608      0.701179  36.0891     268.42      13.4383     268.42      
1 1 1 12 7  40 o 28.4132 4.10911 0.984646     0.590035  2.40111      0.591659  31.7333     275.716     16.975      275.716     
1 1 1 12 7  41 o 45.698  3.3723  4.50697      0.764417  3.7052       0.797016  45.3573     80.8707     7.81215     80.8707     
1 1 1 12 7  42 o 43.2065 3.63941 4.18764      0.79863   3.29458      0.788505  27.9371     358.223     22.5459     178.223     
1 1 1 12 7  43 o 21.1892 4.70049 1.32986      0.634238  0.590632     0.551839  18.186      317.185     5.83088     317.185     
1 1 1 12 7  44 o 12.1893 3.73858 0.378402     0.513318  -0.722512    0.445343  2.58764     138.422     3.21953     318.422     
1 1 1 12 7  45 o 39.0483 3.72898 2.35376      0.698547  4.02024      0.728527  43.3898     186.211     18.614      186.211     
1 1 1 12 7  46 f 17.4559 4.5328  0.891262     0.57347   0.30276      0.539348  10.7448     6.73322     0           0           
1 1 1 12 7  47 o 13.8828 4.19817 0.207782     0.55639   0.143014     0.516144  6.59831     26.9274     0.398946    26.9274     
1 1 1 12 7  48 o 11.5825 3.81085 -0.263525    0.550259  -0.273762    0.559463  2.27988     54.341      0.557632    234.341     
1 1 1 12 7  49 o 30.5342 4.57907 1.9038       0.673636  2.54001      0.733811  22.8534     332.717     6.181       152.717     
1 1 1 12 7  50 o 21.5453 5.09112 1.75723      0.737805  0.727233     0.667603  15.2553     279.656     2.9482      99.6564     
1 1 1 12 7  51 o 15.0905 4.54045 0.138639     0.672829  0.596663     0.605385  6.89347     303.791     6.59967     123.791     
1 1 1 12 7  52 o 14.2482 4.40732 0.0182624    0.615399  0.531134     0.640164  6.35493     84.3457     5.45474     264.346     
1 1 1 12 7  53 o 21.6258 4.9717  1.83558      0.697015  0.868841     0.644347  16.1536     181.584     0.262008    181.584     
1 1 1 12 7  54 o 17.8834 4.94303 0.884044     0.670375  0.955862     0.658651  10.0716     308.253     3.07155     128.253     
1 1 1 12 7  55 o 20.3169 5.48919 0.914447     0.783726  1.92611      0.872871  14.0027     202.466     0.333617    22.4666     
1 1 1 12 7  56 o 14.476  4.61285 0.657166     0.785365  0.176688     0.670351  6.5053      170.646     1.22782     350.647     
1 1 1 12 7  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 8  0  o 126.304 2.22718 29.3122      1.4561    29.3122      1.4561    202.381     180         158.889     180         
1 1 1 12 8  1  o 131.155 2.22699 32.165       1.51505   30.9843      1.51265   120.839     62.0956     18.2931     242.096     
1 1 1 12 8  2  o 91.1036 2.38715 15.4937      1.1724    15.0239      1.07757   75.541      196.624     20.0749     16.6237     
1 1 1 12 8  3  o 134.585 2.37737 32.8057      1.65715   33.7241      1.65833   172.905     235.649     85.1181     235.649     
1 1 1 12 8  4  o 89.4843 2.49965 14.0618      1.15876   15.4059      1.15349   58.3645     115.138     55.1913     295.138     
1 1 1 12 8  5  o 293.246 2.53064 156.509      3.84472   159.328      3.84857   279.587     41.1108     43.9113     221.111     
1 1 1 12 8  6  o 184.721 2.22276 62.5669      2.12882   62.7007      2.12784   165.95      338.246     44.4234     158.246     
1 1 1 12 8  7  o 30.8319 3.4787  1.48618      0.533333  2.12558      0.528981  32.9729     350.122     113.256     350.122     
1 1 1 12 8  8  o 131.593 2.21994 31.523       1.51407   32.0563      1.51441   129.163     161.566     5.70728     341.566     
1 1 1 12 8  9  o 191.344 2.23797 67.0379      2.22305   67.3953      2.21637   212.473     136.224     35.9992     136.224     
1 1 1 12 8  10 o 82.1557 2.34485 12.3487      0.998911  12.4807      0.994096  89.0275     151.14      26.0228     151.14      
1 1 1 12 8  11 o 99.2579 2.29344 18.1282      1.17698   18.0942      1.17985   112.94      94.5889     35.1584     94.5889     
1 1 1 12 8  12 o 186.186 2.24077 63.4011      2.16246   63.9132      2.16271   182.454     141.306     12.4911     321.306     
1 1 1 12 8  13 o 265.871 2.4892  130.144      3.4238    129.61       3.43721   299.667     260.785     58.0311     260.785     
1 1 1 12 8  14 o 24.8547 4.53292 1.2627       0.593799  1.10787      0.582891  1.60298     88.9252     6.09683     88.9252     
1 1 1 12 8  15 o 65.6854 3.17793 8.6117       1.18008   7.37057      0.972145  59.2213     107.92      3.64545     107.92      
1 1 1 12 8  16 o 39.2303 3.64435 2.96672      0.788998  2.8047       0.653487  9.75088     133.853     8.32837     313.853     
1 1 1 12 8  17 f 62.0846 2.79491 7.29564      0.938069  6.94264      0.851094  67.1899     78.5182     0           0           
1 1 1 12 8  18 o 148.165 2.33638 40.6669      1.74397   40.009       1.84256   170.545     69.7491     47.1978     69.7491     
1 1 1 12 8  19 o 61.6327 2.62423 6.9064       0.813353  7.11463      0.855596  53.282      43.9759     3.10804     223.976     
1 1 1 12 8  20 o 177.078 2.32727 57.2406      2.08073   58.01        2.1909    163.354     183.821     27.2539     3.82117     
1 1 1 12 8  21 o 93.8678 2.42749 15.3932      1.14897   17.0694      1.20932   94.0967     310.756     6.82271     310.756     
1 1 1 12 8  22 o 99.6477 2.37803 17.4005      1.2265    19.1764      1.2243    100.488     343.392     7.86278     343.392     
1 1 1 12 8  23 o 124.085 2.33362 28.8386      1.50123   27.8332      1.49779   129.198     308.544     15.6158     308.544     
1 1 1 12 8  24 o 77.723  2.48696 10.1892      0.991945  12.1322      1.00169   76.4928     282.692     7.70977     282.692     
1 1 1 12 8  25 o 111.431 2.36574 22.269       1.36522   23.4867      1.36388   98.3511     342.472     19.4031     162.472     
1 1 1 12 8  26 o 67.9104 2.77244 8.92341      0.977043  8.15652      0.965502  65.7819     160.135     8.28577     160.135     
1 1 1 12 8  27 o 96.372  2.59765 16.7815      1.28916   17.5402      1.30117   70.0166     238.361     46.0233     58.3611     
1 1 1 12 8  28 o 68.8913 2.59884 7.9231       0.920697  9.70062      0.921201  64.4012     356.007     0.556649    176.007     
1 1 1 12 8  29 o 37.1202 3.45401 2.75163      0.65382   2.46749      0.642011  27.2602     44.9268     17.8237     44.9268     
1 1 1 12 8  30 o 33.0124 3.99137 1.64936      0.671936  2.59437      0.617754  23.7914     125.97      13.6536     125.97      
1 1 1 12 8  31 o 28.2602 4.15688 1.66003      0.599319  1.4643       0.579162  9.84596     86.1975     28.0204     266.197     
1 1 1 12 8  32 o 51.2562 3.20588 4.28787      0.810105  5.66245      0.869729  42.1956     333.097     10.3741     153.097     
1 1 1 12 8  33 o 54.204  2.87519 5.34958      0.818064  5.68867      0.783554  48.5089     69.6036     3.4298      249.604     
1 1 1 12 8  34 o 21.6657 4.39514 0.807899     0.513154  1.051        0.52986   9.99221     310.777     10.0586     130.777     
1 1 1 12 8  35 o 54.6615 2.84234 6.6966       0.802603  4.67589      0.779255  55.47       307.647     9.70603     307.647     
1 1 1 12 8  36 o 34.528  3.63553 1.60163      0.592955  3.18277      0.622583  33.9341     21.561      7.30317     21.561      
1 1 1 12 8  37 o 27.5329 4.1821  1.60153      0.596899  1.46884      0.561439  27.3593     154.227     9.86066     154.227     
1 1 1 12 8  38 o 13.7461 4.16959 -0.00814136  0.526849  0.0853242    0.538323  4.10314     222.809     7.56295     42.8087     
1 1 1 12 8  39 o 35.3164 4.24678 3.21815      0.754873  1.90477      0.723007  36.4349     1.80234     10.2844     1.80234     
1 1 1 12 8  40 o 38.128  3.43848 2.79727      0.670329  2.92937      0.657017  29.4575     355.238     10.0564     175.238     
1 1 1 12 8  41 f 14.2095 4.04148 -0.249797    0.491125  0.527739     0.494924  11.8237     135.089     0           0           
1 1 1 12 8  42 o 26.453  4.57997 1.69901      0.601065  1.30023      0.654027  26.9124     317.37      11.2026     317.37      
1 1 1 12 8  43 o 24.023  4.87195 1.4671       0.648985  1.07824      0.63759   18.023      314.077     3.62677     134.077     
1 1 1 12 8  44 o 20.8337 4.40315 1.47108      0.577884  0.338539     0.559978  18.505      199.153     8.50682     199.153     
1 1 1 12 8  45 o 17.3091 3.69122 1.40514      0.537046  -0.789124    0.492913  6.83444     275.782     14.2684     95.7823     
1 1 1 12 8  46 o 19.854  4.67139 1.21123      0.599791  0.548496     0.566801  14.7095     223.729     1.79636     43.7289     
1 1 1 12 8  47 o 17.0716 4.53515 0.815269     0.568002  0.390671     0.539218  12.9413     109.854     4.46548     109.854     
1 1 1 12 8  48 o 24.8296 4.6618  0.886412     0.666858  2.11332      0.648217  19.4661     340.53      2.13713     160.53      
1 1 1 12 8  49 o 13.1437 4.05469 0.531475     0.577486  -0.586754    0.550945  3.96216     3.22076     9.27065     183.221     
1 1 1 12 8  50 o 23.227  5.30558 1.11634      0.749444  1.89624      0.756155  20.4433     122.398     5.87845     122.398     
1 1 1 12 8  51 o 19.0128 4.9615  1.48706      0.709288  0.397285     0.68463   12.8731     221.894     2.23236     41.8939     
1 1 1 12 8  52 o 16.3344 4.86456 0.351398     0.616214  0.974409     0.785709  8.72365     124.195     4.39784     304.195     
1 1 1 12 8  53 o 11.0774 3.69292 0.0561128    0.565181  -0.680655    0.559442  0.927599    168.014     5.152       348.014     
1 1 1 12 8  54 f 11.8935 3.87744 -0.787374    0.614443  0.327004     0.573127  7.07793     155.026     0           0           
1 1 1 12 8  55 o 10.8334 3.69707 -0.800385    0.657313  -0.184924    0.610385  1.22398     22.6964     5.38563     202.696     
1 1 1 12 8  56 o 9.83226 3.39589 -0.80022     0.583167  -0.439209    0.562188  0.436463    123.073     1.47849     303.073     
1 1 1 12 9  0  o 5.38006 2.72174 -0.546309    0.348825  -0.546309    0.348825  82.1625     8.72902e-06 166.797     8.72902e-06 
1 1 1 12 9  1  o 66.1311 2.44858 8.05463      0.839431  8.0511       0.833442  50.884      266.955     18.7227     86.9547     
1 1 1 12 9  2  o 58.9659 2.55114 6.17525      0.775399  6.64891      0.775842  49.171      216.056     2.26106     216.056     
1 1 1 12 9  3  o 151.665 2.31273 41.4942      1.87886   42.9773      1.75268   112.508     257.939     82.6896     77.9389     
1 1 1 12 9  4  o 143.642 2.39021 37.4484      1.78268   38.3304      1.77647   125.577     13.0912     38.8503     193.091     
1 1 1 12 9  5  o 269.109 2.48806 132.444      3.47114   133.578      3.47026   303.222     158.353     55.7162     158.353     
1 1 1 12 9  6  o 238.433 2.3656  106.874      2.8268    101.949      3.01212   241.382     30.5259     4.33996     210.526     
1 1 1 12 9  7  o 36.9203 3.07477 2.50241      0.585513  2.58023      0.568213  4.53974     271.375     36.7799     91.3751     
1 1 1 12 9  8  o 37.0368 3.00763 2.51958      0.568182  2.5915       0.565556  19.6835     112.606     101.326     112.606     
1 1 1 12 9  9  o 233.611 2.27371 98.8776      2.75429   101.571      2.75199   317.888     224.165     162.374     224.165     
1 1 1 12 9  10 o 168.312 2.22298 52.4291      1.94257   51.6145      1.93631   167.832     261.306     3.79748     81.3057     
1 1 1 12 9  11 o 323.731 2.43152 195.255      4.09259   189.842      4.06775   394.07      154.147     128.558     154.147     
1 1 1 12 9  12 o 80.0968 2.37724 12.743       0.993583  10.9059      0.972952  46.3111     110.793     61.8282     290.793     
1 1 1 12 9  13 o 72.437  2.42118 9.06013      0.902599  10.2841      0.907983  48.7336     114.467     38.7954     294.467     
1 1 1 12 9  14 o 208.177 2.34692 78.7713      2.447     80.4754      2.61689   237.212     290.561     55.3196     290.561     
1 1 1 12 9  15 o 130.629 2.43258 30.7863      1.64801   31.9779      1.64289   135.112     173.782     11.9914     173.782     
1 1 1 12 9  16 o 56.5786 3.01638 5.24407      0.831885  6.64749      0.923316  44.3387     263.099     22.9211     263.099     
1 1 1 12 9  17 f 190.767 2.44114 68.0369      2.4184    65.7462      2.40909   189.2       181.558     0           0           
1 1 1 12 9  18 o 68.7184 2.71669 8.1111       0.955118  9.33602      0.969821  61.4131     340.204     47.0468     340.204     
1 1 1 12 9  19 o 19.25   4.28818 0.982188     0.530452  0.346831     0.462969  11.7614     17.8041     35.3861     17.8041     
1 1 1 12 9  20 o 160.541 2.34408 48.9422      2.02328   45.8371      1.87858   180.395     72.6702     42.521      72.6701     
1 1 1 12 9  21 o 25.2422 4.19258 1.1494       0.549931  1.30354      0.529441  5.50093     103.619     37.1048     103.619     
1 1 1 12 9  22 o 111.114 2.41185 22.5377      1.42322   22.926       1.35009   124.267     114.237     33.5931     114.237     
1 1 1 12 9  23 o 23.875  4.32922 1.461        0.568295  0.743506     0.534545  5.6157      244.26      30.035      244.26      
1 1 1 12 9  24 o 63.2797 2.74539 7.08827      0.890707  7.73648      0.900733  52.3381     96.8376     9.78143     276.838     
1 1 1 12 9  25 o 65.736  2.63607 7.62155      0.871736  8.37216      0.917441  71.4322     68.8622     27.6416     68.8622     
1 1 1 12 9  26 o 20.0545 4.35019 0.540367     0.509762  0.943794     0.500997  10.815      190.624     41.5975     190.624     
1 1 1 12 9  27 o 99.4308 2.79153 20.7274      1.44302   16.0389      1.4141    102.23      135.125     13.2659     135.125     
1 1 1 12 9  28 o 43.2029 3.5139  3.42459      0.776922  3.61818      0.767334  42.2163     125.739     9.23424     125.739     
1 1 1 12 9  29 o 37.2    3.2248  2.4495       0.611345  2.78263      0.603139  12.5734     135.948     42.7014     315.948     
1 1 1 12 9  30 o 47.7509 3.12558 4.86989      0.77263   3.7377       0.748489  42.3277     133.051     2.58673     313.051     
1 1 1 12 9  31 o 11.0427 3.59863 -0.259986    0.524905  -0.401406    0.419949  12.2709     23.2354     33.7261     23.2354     
1 1 1 12 9  32 o 103.067 2.60002 19.5504      1.39614   20.0426      1.37708   105.344     45.5193     14.071      45.5193     
1 1 1 12 9  33 o 70.0063 2.60217 9.70602      0.951947  8.64268      0.928717  66.3713     336.416     1.03978     336.416     
1 1 1 12 9  34 o 59.0269 2.68557 6.56981      0.822974  6.53295      0.811704  56.9174     85.0183     3.84243     85.0183     
1 1 1 12 9  35 o 28.8216 3.894   1.51032      0.564489  1.79133      0.555294  11.97       133.025     27.3335     313.025     
1 1 1 12 9  36 o 20.5543 4.52207 1.05299      0.560101  0.630369     0.520669  9.71148     286.459     13.7111     106.459     
1 1 1 12 9  37 o 22.6824 4.345   0.974264     0.536361  1.1255       0.513269  3.42408     351.476     33.0122     171.475     
1 1 1 12 9  38 o 43.1962 3.71886 3.3171       0.80595   4.04243      0.818147  45.2329     339.918     12.1229     339.918     
1 1 1 12 9  39 o 21.8674 4.72134 0.754466     0.622357  1.20546      0.573995  19.5063     28.3748     8.13604     28.3748     
1 1 1 12 9  40 o 30.1596 4.09942 1.29448      0.608303  2.52041      0.619224  33.4545     294.638     16.3877     294.638     
1 1 1 12 9  41 o 35.8244 3.75051 2.14288      0.667558  3.07425      0.66162   39.7207     35.1739     17.0757     35.1739     
1 1 1 12 9  42 f 28.3058 4.26619 1.62432      0.607005  1.76229      0.60676   26.9263     340.474     0           0           
1 1 1 12 9  43 o 20.2554 4.77649 1.26559      0.633315  0.429265     0.610502  16.1953     204.713     2.50223     204.713     
1 1 1 12 9  44 o 28.678  4.62248 1.90798      0.714798  1.73921      0.629045  30.0571     74.6788     12.6769     74.6788     
1 1 1 12 9  45 o 23.4371 4.62075 1.392        0.592862  1.11041      0.576543  19.0177     176.428     0.457993    356.428     
1 1 1 12 9  46 o 15.2238 4.40761 0.527321     0.572324  0.160018     0.548383  9.49833     42.3347     0.900349    42.3347     
1 1 1 12 9  47 o 35.0422 4.0597  3.37574      0.713252  2.1177       0.687118  32.6584     122.352     4.93077     122.352     
1 1 1 12 9  48 o 13.1826 4.12281 -0.291547    0.543468  0.363187     0.593394  4.81569     67.0108     0.795503    247.011     
1 1 1 12 9  49 o 17.4989 5.04379 1.01141      0.776645  0.40924      0.678335  11.4844     339.962     0.696172    339.963     
1 1 1 12 9  50 o 16.1118 4.74829 0.196357     0.658058  0.852221     0.690768  9.53671     267.231     0.801442    267.231     
1 1 1 12 9  51 o 11.3124 3.77638 -0.139708    0.60578   -0.410747    0.549352  1.81647     252.119     9.11289     72.1194     
1 1 1 12 9  52 o 16.769  4.78648 0.732966     0.655424  0.727926     0.628947  9.65799     280.826     0.636531    100.826     
1 1 1 12 9  53 o 19.3552 5.0388  1.18954      0.655561  1.03407      0.680675  13.0475     177.709     2.42546     177.709     
1 1 1 12 9  54 o 13.1306 4.20559 0.401081     0.63961   -0.124233    0.605219  2.86026     75.8935     1.42365     255.894     
1 1 1 12 9  55 o 17.7484 4.93259 1.64445      0.759693  0.1951       0.702973  11.4367     209.92      0.483992    29.92       
1 1 1 12 9  56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 10 0  o 129.182 2.24064 30.668       1.49836   30.668       1.49836   140.982     180         16.4518     180         
1 1 1 12 10 1  o 185.037 2.21641 63.729       2.12962   62.0083      2.12196   236.596     278.085     100.443     278.085     
1 1 1 12 10 2  o 88.1607 2.31183 14.5026      1.05246   14.0843      1.0566    50.3801     106.313     71.8744     286.313     
1 1 1 12 10 3  o 139.267 2.21965 35.1388      1.60204   36.09        1.6025    174.257     118.888     72.5966     118.888     
1 1 1 12 10 4  o 46.1786 2.86102 3.74483      0.698605  4.16154      0.651901  7.90044     155.951     62.9605     335.951     
1 1 1 12 10 5  o 26.5939 3.95365 1.25164      0.535733  1.45544      0.519668  14.1862     171.647     53.9853     171.647     
1 1 1 12 10 6  o 107.214 2.43576 20.3493      1.35185   21.9416      1.35047   114.841     135.723     20.8145     135.723     
1 1 1 12 10 7  o 160.242 2.21716 47.4305      1.84398   46.8761      1.83927   193.982     249.327     67.6792     249.327     
1 1 1 12 10 8  o 77.9347 2.33287 10.9646      0.945569  11.3902      0.934522  82.2905     1.74064     23.0275     1.74064     
1 1 1 12 10 9  o 193.933 2.22966 69.6243      2.24633   68.5249      2.23645   228.438     215.451     66.5433     215.451     
1 1 1 12 10 10 f 64.8725 2.434   7.60229      0.815615  7.90772      0.815244  44.0362     336.855     0           0           
1 1 1 12 10 11 o 207.815 2.26055 79.3087      2.44239   79.3459      2.42784   212.121     238.778     5.23006     238.777     
1 1 1 12 10 12 o 36.0815 3.07844 2.35233      0.565876  2.50994      0.561638  0.307038    25.8163     49.6406     205.816     
1 1 1 12 10 13 o 207.97  2.26025 79.9876      2.44206   78.9202      2.43115   248.793     278.137     80.2969     278.137     
1 1 1 12 10 14 o 123.523 2.25643 28.273       1.44833   27.825       1.43879   93.9025     91.7222     57.0262     271.722     
1 1 1 12 10 15 o 115.179 2.45698 24.4178      1.47147   24.3927      1.45899   102.579     254.635     21.3989     74.635      
1 1 1 12 10 16 o 58.3685 2.85522 5.50436      0.854379  7.14619      0.850139  12.1632     336.385     85.4397     156.385     
1 1 1 12 10 17 o 89.0729 2.46813 14.207       1.09228   15.0145      1.18251   63.8058     37.6038     45.3345     217.604     
1 1 1 12 10 18 o 50.9242 2.98651 4.85568      0.792518  4.75984      0.770007  10.6981     327.092     72.7472     147.092     
1 1 1 12 10 19 o 79.4863 2.62774 12.1213      1.08346   11.1873      1.07492   56.2192     192.918     40.2105     12.9175     
1 1 1 12 10 20 o 28.5824 3.95899 1.85719      0.607097  1.29165      0.526155  0.335511    329.129     31.6456     149.129     
1 1 1 12 10 21 o 59.6552 2.61035 6.41057      0.805609  6.74297      0.800298  57.1823     82.2759     10.674      82.2759     
1 1 1 12 10 22 o 122.37  2.33323 27.9636      1.48563   27.1793      1.47162   110.483     303.636     17.4038     123.636     
1 1 1 12 10 23 o 276.496 2.40612 145.026      3.45858   136.561      3.43677   285.859     292.249     25.4483     292.249     
1 1 1 12 10 24 o 38.3702 3.23849 2.43048      0.625917  3.1133       0.627693  17.0492     64.4454     26.1191     244.445     
1 1 1 12 10 25 o 39.6833 3.182   2.94308      0.648225  2.9611       0.637678  19.4552     319.129     28.1774     139.129     
1 1 1 12 10 26 o 109.229 2.49587 21.6854      1.41236   22.4152      1.40991   111.579     33.3169     12.2554     33.3169     
1 1 1 12 10 27 o 78.8401 2.74177 10.3668      1.13599   12.7661      1.08184   91.2057     335.058     32.6784     335.058     
1 1 1 12 10 28 o 11.7846 3.72263 -0.0213252   0.493985  -0.384383    0.443121  7.88263     183.908     23.073      183.908     
1 1 1 12 10 29 o 58.9667 3.03645 6.04404      0.947534  6.99144      0.885564  54.581      145.717     0.973048    325.718     
1 1 1 12 10 30 o 86.8496 2.81533 13.4814      1.26247   14.6763      1.26392   82.6805     28.314      0.000208242 28.4429     
1 1 1 12 10 31 o 50.8207 3.40313 4.80087      0.932518  4.99772      0.832721  59.2691     312.95      27.8244     312.95      
1 1 1 12 10 32 o 8.88766 2.9817  -1.39457     0.417867  -0.122378    0.390693  3.36553     21.1514     8.80864     21.1514     
1 1 1 12 10 33 o 63.8327 2.71411 8.12722      0.886589  7.20589      0.897739  62.6021     106.472     5.90604     106.472     
1 1 1 12 10 34 o 59.3993 2.86634 6.5399       0.88625   6.81624      0.867386  63.5913     338.367     16.9316     338.367     
1 1 1 12 10 35 o 60.112  2.87397 6.4631       0.894074  7.27108      0.882965  70.9622     228.094     30.8456     228.094     
1 1 1 12 10 36 o 20.7344 4.13917 0.325009     0.518643  1.33966      0.507314  13.4536     299.965     6.44004     119.965     
1 1 1 12 10 37 o 36.1862 3.50301 2.24188      0.633258  2.91111      0.635868  29.732      291.771     5.94123     111.771     
1 1 1 12 10 38 o 67.0208 3.17468 8.75095      1.10244   8.58798      1.09067   72.2972     205.97      21.0118     205.97      
1 1 1 12 10 39 o 38.5478 3.63082 3.06077      0.706243  2.85761      0.707709  32.4909     254.543     4.30967     74.5427     
1 1 1 12 10 40 o 18.7327 4.42197 0.913986     0.524765  0.481752     0.504512  13.0229     254.574     4.93317     254.574     
1 1 1 12 10 41 o 24.2826 4.40489 1.44378      0.566609  1.08125      0.554041  24.3693     100.444     12.6737     100.444     
1 1 1 12 10 42 o 16.0017 4.31612 0.0220605    0.534549  0.71692      0.524948  7.94372     315.64      1.38813     315.64      
1 1 1 12 10 43 o 15.567  3.97227 0.972453     0.528551  -0.535369    0.492802  4.51179     90.9692     15.0947     270.969     
1 1 1 12 10 44 o 10.382  3.5099  -0.532978    0.544554  -0.60144     0.520511  5.38057     16.7436     25.8975     16.7436     
1 1 1 12 10 45 o 53.5715 3.6846  5.59403      0.963613  6.4394       1.05762   52.9934     163.492     11.1053     163.492     
1 1 1 12 10 46 o 13.5282 4.19767 0.296925     0.603345  -0.119237    0.533469  6.33346     145.998     0.378777    145.998     
1 1 1 12 10 47 o 18.6117 4.76503 0.694508     0.603877  0.938276     0.588357  14.9844     175.339     4.94378     175.339     
1 1 1 12 10 48 o 21.1024 5.10251 1.40232      0.705883  0.95734      0.645575  17.532      352.763     4.29145     352.763     
1 1 1 12 10 49 o 17.2903 4.75483 1.02093      0.661372  0.417631     0.584314  10.4342     295.323     3.48946     115.323     
1 1 1 12 10 50 o 15.5292 4.66613 0.631763     0.642049  0.29575      0.686813  8.79912     334.108     0.960045    154.108     
1 1 1 12 10 51 o 13.6251 4.235   0.681198     0.64238   -0.386242    0.571196  2.91423     106.134     0.250829    286.134     
1 1 1 12 10 52 o 21.628  5.16677 1.32001      0.674075  1.48788      0.702083  17.1335     145.758     6.93891     145.758     
1 1 1 12 10 53 o 14.2663 4.38531 0.428903     0.61978   0.319762     0.588689  5.11368     240.662     5.53525     60.6621     
1 1 1 12 10 54 o 11.4843 3.86614 -0.519136    0.664367  -0.0535736   0.616773  1.67953     338.41      2.55852     158.41      
1 1 1 12 10 55 o 10.9479 3.69733 -0.377105    0.585676  -0.215033    0.591276  1.88483     76.6494     2.68337     256.649     
1 1 1 12 11 0  o 71.2529 2.3551  9.37601      0.865502  9.37601      0.865502  88.9869     180         39.9866     180         
1 1 1 12 11 1  o 41.4701 2.80775 2.96181      0.596945  3.42862      0.59216   15.5582     29.9095     15.9066     209.91      
1 1 1 12 11 2  o 98.3307 2.25768 17.4523      1.1512    18.1041      1.14688   114.28      154.667     41.8013     154.667     
1 1 1 12 11 3  o 140.836 2.20507 34.6045      1.60312   38.2942      1.61387   144.593     136.55      8.8255      136.55      
1 1 1 12 11 4  o 169.136 2.21089 50.3023      1.93154   54.8206      1.94294   179.817     123.583     20.4866     123.583     
1 1 1 12 11 5  o 143.581 2.38153 36.4581      1.77034   39.3179      1.77285   123.132     312.229     40.7029     132.229     
1 1 1 12 11 6  o 95.8072 2.45702 16.0371      1.21414   17.762       1.22011   100.786     99.0596     18.4991     99.0596     
1 1 1 12 11 7  o 165.64  2.30677 52.8029      1.9142    48.0537      2.03606   162.626     295.76      6.45325     115.76      
1 1 1 12 11 8  o 100.096 2.26458 18.3131      1.17883   18.5333      1.16801   96.8768     200.191     0.286434    200.192     
1 1 1 12 11 9  o 149.397 2.22535 41.0359      1.72669   40.9568      1.72      149.954     78.2831     2.57022     78.283      
1 1 1 12 11 10 o 121.946 2.24573 27.1153      1.42326   27.5561      1.4133    152.037     270.102     67.3929     270.102     
1 1 1 12 11 11 o 29.1142 3.51242 1.3629       0.508487  1.86603      0.50693   0.437837    327.729     13.7409     327.729     
1 1 1 12 11 12 o 37.8347 3.03881 2.70507      0.595635  2.63193      0.575227  0.990678    324.432     58.1983     144.432     
1 1 1 12 11 13 o 167.737 2.2467  51.541       1.95953   51.8387      1.94732   187.052     282.784     40.4626     282.784     
1 1 1 12 11 14 o 145.4   2.25935 38.465       1.70738   39.2226      1.69811   176.49      289.44      66.4586     289.44      
1 1 1 12 11 15 o 26.4125 4.18342 0.854877     0.58139   1.8525       0.558912  0.464305    166.582     12.8393     166.582     
1 1 1 12 11 16 o 70.7418 2.66338 9.38452      0.982738  9.08085      0.963547  78.2099     194.279     28.1155     194.279     
1 1 1 12 11 17 o 117.425 2.30814 24.6859      1.4029    26.0548      1.40347   128.341     248.822     27.6851     248.822     
1 1 1 12 11 18 o 109.48  2.31789 23.1087      1.32045   21.0302      1.30581   112.206     281.571     11.9416     281.571     
1 1 1 12 11 19 o 129.548 2.40356 31.6122      1.55157   30.1615      1.6691    128.087     138.206     2.87723     138.206     
1 1 1 12 11 20 o 130.12  2.49955 31.383       1.6858    30.9888      1.68288   124.559     153.584     4.78002     333.584     
1 1 1 12 11 21 o 77.6971 2.695   10.4782      1.07765   11.8461      1.08371   77.102      341.114     10.3435     341.114     
1 1 1 12 11 22 o 52.914  2.90648 4.68983      0.817245  5.73346      0.748574  30.2097     121.278     33.9205     301.278     
1 1 1 12 11 23 o 36.157  3.25334 2.35865      0.599064  2.55898      0.591444  19.9279     85.347      2.86767     265.347     
1 1 1 12 11 24 o 99.1979 2.38071 17.6858      1.22134   18.6516      1.22282   142.18      273.383     99.7226     273.383     
1 1 1 12 11 25 o 85.3984 2.55771 13.8479      1.13544   13.1523      1.12358   91.4849     146.28      20.2525     146.28      
1 1 1 12 11 26 o 34.6091 3.49495 2.27049      0.613695  2.28128      0.604641  29.7949     136.251     2.94213     136.251     
1 1 1 12 11 27 o 26.6531 3.92464 0.854899     0.533969  1.96598      0.525751  9.53482     305.696     66.1648     305.696     
1 1 1 12 11 28 o 105.888 2.38621 21.3431      1.3149    20.2307      1.30087   96.4827     217.34      10.3399     37.3404     
1 1 1 12 11 29 o 112.63  2.67853 22.8208      1.61339   24.4258      1.50223   129.324     327.304     43.5416     327.304     
1 1 1 12 11 30 o 34.134  3.99035 2.36611      0.681961  2.16817      0.680038  27.1806     302.428     3.72072     122.427     
1 1 1 12 11 31 o 20.9252 4.62678 0.972807     0.55543   0.719063     0.567093  9.05825     64.1471     4.1791      244.147     
1 1 1 12 11 32 o 29.8004 4.17589 1.49156      0.637962  2.05358      0.602861  18.7669     53.4547     14.1101     233.455     
1 1 1 12 11 33 o 23.9179 4.18935 0.927091     0.531017  1.38094      0.5138    11.8025     242.69      16.5748     62.6899     
1 1 1 12 11 34 o 16.1989 3.66417 -0.589359    0.47664   1.0228       0.461629  6.51703     104.884     6.469       284.884     
1 1 1 12 11 35 o 121.357 2.4747  27.1592      1.56056   28.2145      1.54899   129.272     44.2367     30.6321     44.2367     
1 1 1 12 11 36 o 17.0128 3.99397 -0.181131    0.493354  0.994622     0.48764   8.83634     335.401     7.87183     155.401     
1 1 1 12 11 37 o 21.1128 4.41943 1.2921       0.552061  0.506082     0.541524  16.5686     12.1323     0.0443327   12.1317     
1 1 1 12 11 38 o 25.4877 4.42333 0.447154     0.62762   2.31525      0.678541  20.5874     50.31       1.8781      230.31      
1 1 1 12 11 39 o 24.6808 4.34396 0.869469     0.560009  1.72092      0.579769  19.4424     70.104      2.4231      250.104     
1 1 1 12 11 40 o 20.0709 4.38648 0.486204     0.519808  1.17344      0.534458  16.1075     152.117     3.28595     152.117     
1 1 1 12 11 41 o 55.4335 3.62971 7.26766      0.881868  5.14303      1.08495   49.978      133.816     0.124857    133.814     
1 1 1 12 11 42 o 19.7204 4.63535 0.89626      0.562938  0.772645     0.545645  9.8287      245.553     12.3538     65.5533     
1 1 1 12 11 43 o 42.4918 3.48041 3.89993      0.771456  3.48401      0.733139  43.314      343.676     11.8567     343.676     
1 1 1 12 11 44 o 20.4216 4.30969 1.72203      0.619614  -0.111173    0.615016  15.7053     224.8       1.04332     44.8        
1 1 1 12 11 45 o 20.3842 4.87236 0.559313     0.639774  1.37647      0.650065  10.6901     355.179     12.0085     175.179     
1 1 1 12 11 46 o 26.1865 4.822   1.77         0.669921  1.56645      0.653213  18.2005     145.636     7.45273     325.636     
1 1 1 12 11 47 o 23.6147 4.83559 0.944055     0.657076  1.88726      0.661412  21.1797     88.953      5.69787     88.953      
1 1 1 12 11 48 o 19.0782 4.53838 0.132446     0.595105  1.55318      0.634768  11.8199     77.5413     5.26281     257.541     
1 1 1 12 11 49 o 27.6869 5.12739 2.37976      0.76868   1.77945      0.731245  26.7234     342.875     9.62548     342.875     
1 1 1 12 11 50 o 11.1691 3.73166 -0.304034    0.581362  -0.256289    0.555067  1.91035     178.141     3.8823      358.141     
1 1 1 12 11 51 o 21.8465 5.33222 0.992746     0.734387  1.96096      0.790997  15.0309     254.38      2.32806     74.3796     
1 1 1 12 11 52 o 21.3923 5.06168 1.21322      0.668492  1.48786      0.661014  16.4212     180.596     3.69682     180.596     
1 1 1 12 11 53 o 12.2544 4.00102 0.0370579    0.604092  -0.0267502   0.583872  2.73484     222.955     3.59838     42.9545     
1 1 1 12 11 54 o 10.7856 3.68042 0.314125     0.665168  -1.6006      0.562018  1.56238     46.6486     6.25307     226.649     
1 1 1 12 11 55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 12 0  o 7.83303 3.6017  -0.0288537   0.351595  -0.0288537   0.351595  15.9447     8.65193e-06 33.0307     8.65193e-06 
1 1 1 12 12 1  o 73.4097 2.34572 9.51262      0.887013  10.3376      0.892623  64.1249     326.081     6.8685      146.081     
1 1 1 12 12 2  o 39.528  2.87631 2.53944      0.575023  3.2941       0.57825   7.19129     173.007     43.7737     353.007     
1 1 1 12 12 3  o 47.0347 2.65079 4.15241      0.643271  4.03371      0.638564  8.76266     118.402     102.394     118.402     
1 1 1 12 12 4  o 216.735 2.25136 88.224       2.53801   84.3719      2.52007   247.706     246.959     60.3759     246.959     
1 1 1 12 12 5  o 124.933 2.30755 28.6251      1.55352   28.7458      1.43085   145.437     234.146     46.75       234.146     
1 1 1 12 12 6  o 102.794 2.44914 19.1453      1.30525   19.7392      1.30074   60.7132     119.477     80.5987     299.477     
1 1 1 12 12 7  o 313.253 2.57822 182.039      4.19814   178.761      4.17467   368.592     127.299     105.97      127.299     
1 1 1 12 12 8  o 39.1151 2.91515 2.81249      0.581215  2.87983      0.583106  1.127       206.767     66.8675     206.766     
1 1 1 12 12 9  o 263.524 2.32527 124.569      3.17524   130.666      3.17604   302.87      156.247     76.6763     156.247     
1 1 1 12 12 10 o 195.272 2.26048 70.6314      2.29317   69.482       2.28295   203.993     171.51      17.9925     171.51      
1 1 1 12 12 11 o 21.5739 3.76785 0.284994     0.474821  1.45674      0.454928  50.5612     101.166     133.888     101.166     
1 1 1 12 12 12 o 66.5518 2.45316 7.82469      0.849844  8.51048      0.834986  61.7581     353.471     2.14956     353.471     
1 1 1 12 12 13 o 14.0833 3.68223 -0.240639    0.42086   0.544425     0.390073  12.4932     18.839      30.0904     18.839      
1 1 1 12 12 14 o 240.896 2.32394 107.133      2.90618   106.204      2.89765   262.467     193.94      44.6476     193.94      
1 1 1 12 12 15 o 38.3356 3.4384  3.07608      0.674328  2.45043      0.655568  9.44288     35.1428     86.4782     35.1428     
1 1 1 12 12 16 o 109.434 2.52345 21.5522      1.43765   22.5663      1.42039   136.146     225.01      62.7407     225.01      
1 1 1 12 12 17 o 138.743 2.28763 35.0706      1.64603   35.7249      1.64431   161.178     187.491     51.8124     187.491     
1 1 1 12 12 18 o 145.788 2.27696 37.5471      1.71685   40.6656      1.72273   142.373     350.544     0.587109    170.544     
1 1 1 12 12 19 o 94.7517 2.35924 16.6315      1.15834   16.4557      1.15553   55.718      128.96      71.2476     308.96      
1 1 1 12 12 20 o 134.526 2.28972 32.7656      1.60098   33.8613      1.5919    169.826     258.347     80.6907     258.347     
1 1 1 12 12 21 o 85.1838 2.53802 13.3688      1.06573   13.4331      1.16839   77.9157     134.387     5.49149     314.387     
1 1 1 12 12 22 o 40.1823 3.43642 3.46857      0.702337  2.63454      0.689272  23.072      332.686     21.1196     152.686     
1 1 1 12 12 23 o 60.5175 2.77854 6.51926      0.901212  7.08705      0.826167  49.0539     309.116     14.5584     129.116     
1 1 1 12 12 24 o 85.1247 2.54187 13.9048      1.12572   12.9407      1.11178   62.9691     295.071     37.7904     115.071     
1 1 1 12 12 25 o 89.3168 2.54515 14.1983      1.16996   15.3873      1.18086   87.7714     38.357      4.44581     38.3571     
1 1 1 12 12 26 o 64.2219 2.58231 7.53508      0.860898  7.80263      0.850887  61.1266     310.488     1.65634     310.488     
1 1 1 12 12 27 o 51.0038 2.77102 4.60434      0.721782  5.13207      0.730902  32.1946     5.98074     30.4991     185.981     
1 1 1 12 12 28 o 21.3167 4.21174 1.22743      0.530281  0.559147     0.466444  1.58813     111.333     28.6906     291.333     
1 1 1 12 12 29 o 59.9284 2.86888 5.91958      0.873025  7.61535      0.889245  58.433      321.208     5.59671     321.208     
1 1 1 12 12 30 o 51.5804 3.08506 4.89426      0.854508  5.18084      0.773976  47.0033     82.2612     0.969608    262.261     
1 1 1 12 12 31 o 53.0487 3.4073  4.27767      0.900329  6.60698      0.916861  44.7364     318.826     8.81429     138.826     
1 1 1 12 12 32 o 51.1271 3.00389 4.52526      0.76105   5.44217      0.815542  47.1048     307.64      0.127942    127.641     
1 1 1 12 12 33 f 29.3517 3.95237 1.45564      0.576034  2.00366      0.579728  24.4916     252.973     0           0           
1 1 1 12 12 34 o 14.3695 3.6336  -0.56329     0.426548  0.762796     0.442178  0.754427    64.7606     0.136521    244.761     
1 1 1 12 12 35 o 22.8871 4.13262 0.522468     0.538544  1.60056      0.521908  15.1674     233.379     8.34754     53.3789     
1 1 1 12 12 36 o 17.6    4.30985 0.757824     0.494278  0.387788     0.482649  11.3171     342.954     1.65085     162.954     
1 1 1 12 12 37 o 58.5391 3.71817 6.15571      0.874055  7.46162      1.33672   49.2294     256.586     8.74017     76.5864     
1 1 1 12 12 38 o 34.2961 4.69934 2.19418      0.738066  2.80425      0.874845  23.3153     356.691     14.2318     176.691     
1 1 1 12 12 39 o 62.3714 2.99748 7.51262      1.00601   7.61917      0.91718   54.1488     255.518     5.02644     75.5178     
1 1 1 12 12 40 o 40.083  3.78808 2.87778      0.800252  3.68011      0.697677  37.0965     314.58      3.3363      314.58      
1 1 1 12 12 41 o 30.143  4.12697 1.38841      0.618104  2.52053      0.617741  23.5389     59.0053     4.97103     239.005     
1 1 1 12 12 42 o 18.8097 4.59212 0.944335     0.564825  0.557697     0.538071  15.1781     119.505     4.98703     119.505     
1 1 1 12 12 43 o 39.0608 3.93501 2.38674      0.734667  4.19445      0.762263  40.0841     127.776     12.2601     127.776     
1 1 1 12 12 44 o 10.8915 3.5943  -0.267812    0.505776  -0.336413    0.493217  2.72754     150.033     3.6397      330.033     
1 1 1 12 12 45 o 30.9901 4.62897 3.01046      0.70281   1.57684      0.755008  24.3895     188.608     3.98594     8.6082      
1 1 1 12 12 46 o 37.7435 4.44099 3.15571      0.871223  3.47524      0.795371  37.0462     92.1609     9.96728     92.1609     
1 1 1 12 12 47 o 12.0413 3.90095 -0.246492    0.537706  0.0347548    0.564652  0.216672    154.991     15.6223     334.991     
1 1 1 12 12 48 o 18.9099 4.81041 0.696688     0.598119  1.16906      0.625178  13.877      29.4947     1.11296     29.4947     
1 1 1 12 12 49 o 13.6737 4.23002 -0.205763    0.607411  0.526538     0.58489   5.26192     251.16      6.41439     71.16       
1 1 1 12 12 50 o 16.4239 4.67412 0.915258     0.636055  0.41344      0.605725  6.48793     330.067     10.1044     150.067     
1 1 1 12 12 51 o 18.4573 5.12584 0.715557     0.734399  1.28553      0.732236  11.3008     259.18      0.0778981   259.18      
1 1 1 12 12 52 o 20.3768 4.87717 0.340102     0.677442  2.07514      0.74348   15.6241     0.778285    4.80625     0.778285    
1 1 1 12 12 53 o 15.6012 4.61872 0.892595     0.649996  0.356463     0.62686   6.5392      206.767     8.05134     26.7665     
1 1 1 12 12 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 13 0  o 173.035 2.24194 54.9932      2.00936   54.9932      2.00936   245.763     180         142.163     180         
1 1 1 12 13 1  o 113.12  2.24407 23.6684      1.32025   23.3838      1.30885   124.119     228.329     28.4421     228.329     
1 1 1 12 13 2  o 248.741 2.29948 115.487      2.97052   111.886      2.95885   302.292     138.09      106.604     138.09      
1 1 1 12 13 3  o 68.3972 2.40565 8.55784      0.852327  8.67944      0.848063  40.4594     13.2408     47.7697     193.241     
1 1 1 12 13 4  o 68.1503 2.42057 8.99994      0.854563  8.12579      0.848708  60.6742     171.718     45.539      171.718     
1 1 1 12 13 5  o 51.2765 2.76551 3.83866      0.686195  6.01241      0.757993  41.2061     309.303     1.68778     309.303     
1 1 1 12 13 6  f 122.458 2.42523 27.3707      1.53881   27.797       1.537     83.806      194.135     0           0           
1 1 1 12 13 7  o 42.6952 3.05089 3.59568      0.674946  3.19047      0.655947  15.4254     357.454     40.3136     177.454     
1 1 1 12 13 8  o 130.49  2.32987 31.2762      1.52029   31.3299      1.62832   134.032     160.875     11.523      160.875     
1 1 1 12 13 9  o 100.934 2.3074  18.3861      1.20637   19.1011      1.20455   118.432     310.714     43.408      310.714     
1 1 1 12 13 10 o 35.5864 3.08782 2.39685      0.561253  2.33768      0.554088  2.99029     12.4982     0.167526    192.498     
1 1 1 12 13 11 f 111.442 2.29407 23.0813      1.32604   22.6126      1.32151   149.239     61.867      0           0           
1 1 1 12 13 12 o 56.4199 2.57002 5.9068       0.755298  5.85337      0.739928  36.9739     347.227     28.3775     167.227     
1 1 1 12 13 13 o 15.3828 3.69663 0.770067     0.431333  -0.198366    0.393119  37.1708     14.5756     90.4364     14.5756     
1 1 1 12 13 14 o 57.117  2.56786 6.04744      0.764623  6.00793      0.747997  44.9596     297.307     11.4582     117.307     
1 1 1 12 13 15 o 77.5737 2.61803 10.9981      1.05727   11.2093      1.04184   75.0435     279.793     5.65472     279.793     
1 1 1 12 13 16 o 53.9314 2.90873 5.24995      0.814975  5.53871      0.797985  32.835      194.994     21.5115     194.994     
1 1 1 12 13 17 o 61.5872 2.56365 6.14052      0.808683  7.93857      0.810406  50.3221     141.927     9.47614     321.927     
1 1 1 12 13 18 o 102.953 2.33114 19.2069      1.24576   19.8643      1.23874   82.5628     184.458     32.8553     4.45838     
1 1 1 12 13 19 o 105.394 2.32169 20.488       1.27339   20.4692      1.26025   98.9092     209.109     4.61006     29.1095     
1 1 1 12 13 20 o 105.518 2.33585 19.978       1.28077   21.109       1.27026   137.071     82.046      74.2212     82.046      
1 1 1 12 13 21 o 137.791 2.30502 34.775       1.64993   35.2444      1.6427    140.351     194.033     13.4946     194.033     
1 1 1 12 13 22 o 56.2046 2.98163 5.49281      0.81116   6.29756      0.914472  41.8081     249.725     21.4398     69.7255     
1 1 1 12 13 23 o 82.1875 2.84374 13.0687      1.21183   12.0521      1.20262   73.0376     167.034     11.0797     347.034     
1 1 1 12 13 24 o 26.3478 4.34803 1.40019      0.595405  1.32308      0.570603  12.8364     325.695     2.38658     325.695     
1 1 1 12 13 25 o 46.7525 2.81681 4.35675      0.688777  3.8352       0.662714  43.2501     300.897     2.03164     300.897     
1 1 1 12 13 26 o 88.3618 2.43913 12.8043      1.0948    16.3046      1.12628   85.7247     1.1987      3.66953     1.19869     
1 1 1 12 13 27 o 18.0923 4.14012 0.742704     0.460892  0.472662     0.433149  5.63268     278.811     37.7784     278.811     
1 1 1 12 13 28 o 29.7216 3.95207 1.86563      0.598276  1.60297      0.574705  15.0217     234.226     21.0621     54.2263     
1 1 1 12 13 29 o 39.2718 3.22475 3.26411      0.661185  2.64562      0.624467  37.079      358.594     4.53303     358.594     
1 1 1 12 13 30 o 37.6062 3.23717 2.72881      0.60554   2.7007       0.630026  39.4764     58.4173     13.0045     58.4173     
1 1 1 12 13 31 o 25.71   4.12025 0.295341     0.652672  2.33115      0.578193  17.332      165.837     11.4756     165.837     
1 1 1 12 13 32 o 15.5231 4.14241 -0.172791    0.507754  0.683848     0.497926  2.53976     313.197     17.5005     133.196     
1 1 1 12 13 33 o 34.6664 4.05541 2.43949      0.626142  2.35737      0.769497  27.8047     107.007     6.64842     287.007     
1 1 1 12 13 34 o 27.8718 3.96224 0.758207     0.554689  2.52142      0.575223  19.2386     347.115     10.4685     167.115     
1 1 1 12 13 35 o 52.131  2.98244 5.9726       0.857536  4.53183      0.740792  47.3766     121.772     0.57487     301.772     
1 1 1 12 13 36 o 32.4302 3.77482 2.3971       0.638969  1.85573      0.584793  31.9798     281.706     7.52135     281.706     
1 1 1 12 13 37 o 34.6212 4.1902  2.95348      0.729902  2.02291      0.708393  21.9574     23.2216     17.6953     203.222     
1 1 1 12 13 38 o 51.8306 3.3891  4.61859      0.918801  6.05495      0.850776  59.2352     345.901     25.7771     345.901     
1 1 1 12 13 39 o 36.9646 3.56084 2.39913      0.660079  3.13721      0.65534   34.8562     54.6482     4.90668     54.6482     
1 1 1 12 13 40 o 14.4692 4.17151 0.066258     0.51101   0.410738     0.494333  6.22276     192.693     0.412618    12.6934     
1 1 1 12 13 41 o 19.847  4.03337 1.60317      0.565398  -0.101612    0.528974  14.2403     46.0607     2.98653     226.061     
1 1 1 12 13 42 o 22.3636 4.61227 1.3031       0.581917  0.985784     0.559805  14.4651     240.357     8.03296     60.3571     
1 1 1 12 13 43 o 29.1174 4.22372 0.857583     0.624672  3.15508      0.673722  19.9928     263.532     9.92992     83.5325     
1 1 1 12 13 44 f 12.1843 3.72219 0.498211     0.511106  -0.834158    0.465012  4.51333     273.39      0           0           
1 1 1 12 13 45 o 15.6969 4.47966 0.655822     0.579114  0.259601     0.562112  8.19676     56.4666     5.53816     236.467     
1 1 1 12 13 46 o 11.8959 3.92289 0.173882     0.617086  -1.03799     0.637528  2.25601     265.942     2.30163     85.9423     
1 1 1 12 13 47 f 17.2628 4.60304 1.40495      0.700324  -0.063319    0.546311  15.8431     85.2917     0           0           
1 1 1 12 13 48 o 23.5327 5.11384 1.41041      0.743525  1.69511      0.650802  15.8761     19.4113     5.60709     199.411     
1 1 1 12 13 49 o 22.6722 4.5888  0.444639     0.642507  2.35378      0.702193  16.8857     45.3755     0.773639    225.375     
1 1 1 12 13 50 o 18.3072 4.93877 0.842835     0.684335  1.06669      0.632648  10.882      263.267     2.02548     263.267     
1 1 1 12 13 51 o 12.4982 4.09214 -0.124956    0.634661  0.0849959    0.624773  0.524059    143.624     0.393688    323.624     
1 1 1 12 13 52 o 19.9884 5.01684 1.7406       0.708245  0.761786     0.672196  14.3993     217.39      0.925011    217.39      
1 1 1 12 13 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 14 0  o 235.049 2.27753 101.447      2.77376   101.447      2.77376   308.965     8.4998e-06  146.656     8.4998e-06  
1 1 1 12 14 1  f 109.588 2.27027 22.0107      1.28528   22.1656      1.29124   117.7       96.0921     0           0           
1 1 1 12 14 2  o 97.6028 2.28061 18.1818      1.15415   16.8814      1.14931   124.341     258.99      64.3141     258.99      
1 1 1 12 14 3  o 55.8349 2.53642 5.99804      0.729052  5.51971      0.730305  55.7745     322.733     20.8703     322.733     
1 1 1 12 14 4  o 22.8964 3.77057 1.09495      0.441615  0.920008     0.437752  41.5523     312.544     119.224     312.544     
1 1 1 12 14 5  o 61.6385 2.49664 6.84951      0.789074  7.17099      0.799532  44.3822     29.4528     24.8568     209.453     
1 1 1 12 14 6  o 224.891 2.38756 92.2381      2.8791    93.7335      2.68222   244.949     216.426     43.2769     216.426     
1 1 1 12 14 7  o 33.9956 3.40979 1.9654       0.585629  2.3925       0.5762    42.246      72.4189     145.722     72.4189     
1 1 1 12 14 8  f 159.407 2.3589  48.6223      1.88585   44.8594      2.00352   207.17      159.131     0           0           
1 1 1 12 14 9  o 21.9798 3.90752 0.968031     0.451001  0.888985     0.438583  4.53797     92.6733     19.7731     92.6733     
1 1 1 12 14 10 o 109.389 2.27725 22.0924      1.29368   21.9469      1.28605   106.086     334.128     0.596466    334.128     
1 1 1 12 14 11 o 88.2258 2.32884 14.6709      1.0711    14.0023      1.05511   76.6983     48.6378     14.7209     228.638     
1 1 1 12 14 12 o 43.1881 2.8544  4.01761      0.643264  2.95656      0.611836  25.0394     216.26      17.6984     36.2605     
1 1 1 12 14 13 o 84.8231 2.35245 12.7768      1.03336   13.7495      1.03011   77.3158     310.355     5.2801      130.355     
1 1 1 12 14 14 o 25.9661 3.72435 1.28115      0.492371  1.30472      0.475794  13.7544     181.412     61.7114     181.412     
1 1 1 12 14 15 o 93.4573 2.52501 15.2695      1.2168    16.9816      1.2228    105.127     129.588     35.0918     129.588     
1 1 1 12 14 16 o 41.8697 3.1825  3.60661      0.692816  2.9654       0.663824  28.0474     340.497     6.60982     160.497     
1 1 1 12 14 17 o 61.4072 2.49463 7.04486      0.799139  6.90538      0.782331  67.7638     289.747     28.8247     289.747     
1 1 1 12 14 18 o 66.8756 2.50737 8.09383      0.871747  8.45654      0.859779  69.2499     152.357     15.7424     152.357     
1 1 1 12 14 19 o 85.8603 2.37815 12.7311      1.05182   14.5416      1.05771   79.0631     301.928     5.64124     121.928     
1 1 1 12 14 20 o 28.1675 3.56477 1.57914      0.512325  1.46403      0.490526  17.2995     283.189     0.638254    103.189     
1 1 1 12 14 21 o 97.2176 2.48533 18.0745      1.25438   16.936       1.24564   103.015     142.828     19.7913     142.828     
1 1 1 12 14 22 f 57.8562 2.73256 6.3473       0.816119  6.12361      0.813326  55.7516     88.5582     0           0           
1 1 1 12 14 23 o 77.1975 2.44148 10.9462      0.97899   11.1739      0.969828  64.9931     94.4652     16.4991     274.465     
1 1 1 12 14 24 o 11.0395 3.47746 -0.128663    0.386226  -0.158058    0.418052  7.42474     35.9889     20.9788     35.9889     
1 1 1 12 14 25 o 46.523  3.12938 4.07624      0.744544  4.09548      0.746636  38.9993     41.7144     6.37899     221.714     
1 1 1 12 14 26 o 79.9341 2.55491 12.4954      1.11013   11.3576      1.00219   85.6203     230.905     21.0649     230.905     
1 1 1 12 14 27 o 30.8147 3.67133 1.95327      0.594958  1.74654      0.536674  25.1731     203.398     1.04744     23.398      
1 1 1 12 14 28 o 13.9536 4.00937 0.218393     0.433537  0.130443     0.476662  0.275764    91.8653     13.0461     91.8653     
1 1 1 12 14 29 o 17.2113 4.39217 -0.0260026   0.426727  0.999425     0.647085  6.41316     310.638     7.23405     130.638     
1 1 1 12 14 30 o 12.1152 3.76776 -0.34984     0.559061  0.0730907    0.386253  4.51359     114.285     24.6061     114.285     
1 1 1 12 14 31 o 30.3662 4.62374 1.85824      0.782783  1.91935      0.628386  10.5346     264.039     33.4906     84.0389     
1 1 1 12 14 32 o 52.201  2.99288 4.92821      0.83276   5.50034      0.764453  47.3241     54.4007     1.38845     234.401     
1 1 1 12 14 33 o 15.6887 4.15412 -0.0477036   0.47981   0.69554      0.502129  6.6274      180.118     0.441985    180.118     
1 1 1 12 14 34 o 22.9646 4.3437  1.42849      0.530472  0.749793     0.56194   11.668      302.328     15.8089     122.328     
1 1 1 12 14 35 o 23.2332 4.13555 1.69359      0.544836  0.572735     0.518674  17.134      201.508     4.27821     21.5077     
1 1 1 12 14 36 o 25.9531 4.14301 0.806627     0.537082  2.08047      0.591358  25.7899     178.742     9.66489     178.742     
1 1 1 12 14 37 o 14.2907 4.23754 0.38001      0.56386   -0.0886206   0.513233  5.53894     158.314     5.79484     338.314     
1 1 1 12 14 38 o 41.1288 3.33193 3.10337      0.694254  3.64863      0.695959  44.1009     11.6358     16.0218     11.6358     
1 1 1 12 14 39 o 19.8383 4.39919 1.16832      0.537846  0.499934     0.514633  6.20511     289.123     20.5035     109.123     
1 1 1 12 14 40 o 20.6073 4.56166 1.05729      0.552444  0.825322     0.535004  17.6135     73.5989     10.4116     73.5989     
1 1 1 12 14 41 o 18.4154 4.60001 0.776846     0.546379  0.691225     0.549793  9.58449     246.437     10.125      66.4365     
1 1 1 12 14 42 o 15.9313 4.37999 0.401428     0.531286  0.553664     0.511778  9.48238     95.0992     4.21944     275.099     
1 1 1 12 14 43 f 28.4788 4.40419 2.68272      0.666125  1.16959      0.635967  21.4677     195.403     0           0           
1 1 1 12 14 44 o 13.1478 4.01816 -0.247478    0.518313  0.415303     0.52765   4.04203     120.331     0.475783    300.331     
1 1 1 12 14 45 o 17.9312 4.56544 0.299914     0.591861  1.15439      0.580858  12.2811     44.4695     4.39309     44.4695     
1 1 1 12 14 46 o 14.7261 4.3837  -0.0415114   0.563914  0.704984     0.616507  7.39479     89.828      1.71259     269.828     
1 1 1 12 14 47 f 16.7867 4.89246 0.74353      0.70173   0.624033     0.674389  2.8391      50.9344     0           0           
1 1 1 12 14 48 o 21.2628 5.0727  1.67935      0.696783  0.93946      0.675883  15.6354     35.5507     0.193025    35.5505     
1 1 1 12 14 49 o 18.1142 4.53155 0.150551     0.586638  1.49649      0.629087  11.1331     85.1985     0.104711    85.1986     
1 1 1 12 14 50 o 16.8782 4.85957 0.825779     0.67731   0.739389     0.659648  9.06782     358.626     2.64247     178.626     
1 1 1 12 14 51 o 11.214  3.70243 -0.961373    0.543201  0.336842     0.575337  1.76149     262.992     4.39754     82.9917     
1 1 1 12 14 52 o 16.4491 4.68104 0.339884     0.647403  1.1062       0.640095  9.90305     21.2425     1.27842     201.242     
1 1 1 12 15 0  o 32.8025 3.25565 2.091        0.522292  2.091        0.522292  4.03902     360         2.58225     180         
1 1 1 12 15 1  o 67.2549 2.43357 9.04242      0.8514    7.66878      0.83644   74.0191     136.895     30.4637     136.895     
1 1 1 12 15 2  o 71.7285 2.42304 9.62203      0.902698  9.34857      0.893885  48.0902     35.4749     38.7334     215.475     
1 1 1 12 15 3  o 181.937 2.26553 59.7603      2.13134   61.9665      2.14148   212.231     18.0363     67.1701     18.0363     
1 1 1 12 15 4  o 252.988 2.3163  119.972      3.04621   115.44       3.02838   295.926     124.09      92.162      124.09      
1 1 1 12 15 5  o 51.2932 2.6223  5.72724      0.697621  4.07882      0.674941  37.9724     160.828     21.4771     160.828     
1 1 1 12 15 6  o 113.837 2.26314 23.7897      1.34107   23.9057      1.32709   113.769     127.736     7.8615      127.736     
1 1 1 12 15 7  o 159.687 2.44112 45.7299      2.01806   48.1265      2.02234   129.274     231.714     54.5869     51.7145     
1 1 1 12 15 8  o 117.487 2.44527 24.4969      1.48256   26.3692      1.49134   122.639     324.003     18.9656     324.003     
1 1 1 12 15 9  o 37.0866 2.9102  2.63335      0.55607   2.50127      0.543987  8.73497     108.235     80.6943     108.235     
1 1 1 12 15 10 o 82.391  2.36129 11.9394      1.00764   13.1028      1.00319   92.1457     129.783     33.2498     129.783     
1 1 1 12 15 11 o 60.0368 2.48692 6.88584      0.777146  6.44017      0.763688  52.9756     134.407     1.04104     134.406     
1 1 1 12 15 12 o 170.154 2.25698 52.6688      1.99091   53.9167      1.99022   187.343     357.825     43.5299     357.825     
1 1 1 12 15 13 f 13.2625 3.72779 0.108085     0.407062  0.223593     0.363775  46.5555     172.641     0           0           
1 1 1 12 15 14 o 164.181 2.2631  50.2981      1.93234   49.0016      1.91958   200.105     343.061     81.9352     343.061     
1 1 1 12 15 15 o 105.515 2.46931 21.5169      1.36142   19.6201      1.33492   110.644     155.602     19.2968     155.602     
1 1 1 12 15 16 o 63.6689 2.70048 6.75876      0.880718  8.31668      0.886494  62.0803     308.618     6.64815     308.618     
1 1 1 12 15 17 o 76.7146 2.40397 10.7768      0.952554  10.9946      0.95455   88.9242     88.0226     33.8427     88.0226     
1 1 1 12 15 18 o 70.104  2.43417 7.88632      0.866322  10.405       0.886867  94.2315     260.22      59.6373     260.22      
1 1 1 12 15 19 o 54.2183 2.63774 5.47188      0.725222  5.46663      0.748179  40.1879     22.4105     20.7185     202.411     
1 1 1 12 15 20 o 99.0185 2.43122 17.8084      1.24243   18.5271      1.24929   97.7956     139.711     6.38097     139.711     
1 1 1 12 15 21 o 48.371  2.83197 3.93713      0.691147  4.84408      0.71197   45.1058     93.6382     2.61437     93.6382     
1 1 1 12 15 22 o 56.4218 2.56549 6.03063      0.753657  5.83766      0.739052  59.7258     337.527     16.2261     337.527     
1 1 1 12 15 23 o 46.5269 2.91729 3.9719       0.665595  4.1714       0.726758  56.5825     221.06      34.9986     221.06      
1 1 1 12 15 24 o 45.4688 3.14238 3.17629      0.63934   4.72836      0.826338  41.7214     271.492     1.56643     271.492     
1 1 1 12 15 25 o 21.922  4.19123 1.15547      0.472668  0.735861     0.522445  9.99824     137.796     11.5323     317.796     
1 1 1 12 15 26 o 41.633  3.64047 2.61284      0.763769  4.16107      0.718705  36.3157     20.9363     2.32595     200.936     
1 1 1 12 15 27 o 16.5897 4.4173  0.594425     0.613498  0.287345     0.418227  4.84351     247.114     4.62293     67.1138     
1 1 1 12 15 28 o 29.2716 3.79238 1.49273      0.559754  1.91026      0.544434  24.6414     139.408     0.796297    319.408     
1 1 1 12 15 29 o 41.0383 3.14485 3.28435      0.659614  3.19339      0.656919  45.9536     344.439     18.6786     344.439     
1 1 1 12 15 30 o 74.8031 2.80645 10.306       1.13046   10.9151      1.03156   69.96       9.35921     0.927756    9.35934     
1 1 1 12 15 31 o 32.7965 3.80331 1.82659      0.619468  2.47034      0.619137  24.4757     225.133     9.57431     45.133      
1 1 1 12 15 32 o 33.6689 3.61108 3.18277      0.595691  1.45679      0.569629  35.4418     263.946     12.1737     263.946     
1 1 1 12 15 33 o 60.3352 2.87684 6.55421      0.92335   7.43322      0.855861  57.9488     235.78      5.72018     235.78      
1 1 1 12 15 34 o 23.2402 4.49102 1.37025      0.57327   0.916841     0.552135  11.2912     339.246     16.9004     159.246     
1 1 1 12 15 35 o 78.3848 2.75146 11.7999      1.06255   11.81        1.1636    92.4574     200.226     42.5935     200.226     
1 1 1 12 15 36 o 21.2741 4.60136 1.2565       0.565803  0.650737     0.585031  14.2564     125.677     5.50412     305.677     
1 1 1 12 15 37 o 9.06949 3.09619 -0.795037    0.456508  -0.475185    0.427625  2.34168     299.003     13.1095     299.003     
1 1 1 12 15 38 o 9.75955 3.22014 -0.801569    0.420726  -0.0555748   0.417293  0.183887    74.8926     6.85289     254.893     
1 1 1 12 15 39 o 13.6889 3.98362 -0.153736    0.475987  0.463325     0.482611  5.54314     91.2063     0.090499    271.206     
1 1 1 12 15 40 o 21.9263 4.46872 0.777257     0.547708  1.40461      0.557083  15.0705     4.86391     5.72972     184.864     
1 1 1 12 15 41 o 17.2076 4.42062 0.266099     0.536016  0.931454     0.539945  11.8346     305.215     1.81584     125.215     
1 1 1 12 15 42 o 21.7376 4.66837 1.15811      0.574724  1.11229      0.569884  20.7024     231.827     12.6963     231.827     
1 1 1 12 15 43 o 22.9938 4.72057 1.16379      0.592994  1.45188      0.604223  14.2441     129.837     8.79103     309.837     
1 1 1 12 15 44 o 13.1794 3.94955 0.602897     0.532938  -0.464533    0.493856  4.82923     161.894     3.86621     341.894     
1 1 1 12 15 45 o 19.6792 4.13408 -0.161243    0.576839  1.82097      0.603372  14.1034     199.347     1.33952     19.3467     
1 1 1 12 15 46 o 16.8078 4.49137 1.03855      0.576906  0.279351     0.556818  10.6056     178.35      1.49917     358.35      
1 1 1 12 15 47 o 15.2368 4.55633 0.211705     0.575974  0.753934     0.672277  5.98923     53.2906     8.02219     233.291     
1 1 1 12 15 48 o 14.2114 4.54011 0.909495     0.800326  -0.860412    0.723433  4.03204     151.308     2.22208     331.308     
1 1 1 12 15 49 o 11.5795 3.81356 0.120123     0.578756  -0.417961    0.54656   1.43331     151.314     3.54622     331.314     
1 1 1 12 15 50 o 10.8364 3.6251  0.104096     0.564857  -0.709701    0.530361  0.839611    98.3567     1.97274     278.357     
1 1 1 12 15 51 o 13.3947 4.21422 0.417443     0.58265   0.0757319    0.609685  5.36278     79.7683     1.79162     259.768     
1 1 1 12 16 0  o 52.7574 2.5919  5.18741      0.700817  5.18741      0.700817  48.6088     5.50804e-06 3.36928     180         
1 1 1 12 16 1  o 61.6027 2.48238 6.19137      0.781406  7.88021      0.789214  33.3233     138.766     46.1706     318.766     
1 1 1 12 16 2  o 106.26  2.27524 20.4088      1.25098   21.1854      1.25225   117.671     195.713     33.7797     195.713     
1 1 1 12 16 3  o 147.852 2.23226 40.2186      1.71328   40.2218      1.70834   170.187     257.643     54.5221     257.643     
1 1 1 12 16 4  o 121.585 2.3663  27.4377      1.56039   27.0315      1.41694   106.465     179.895     21.6318     359.895     
1 1 1 12 16 5  o 103.994 2.27706 20.5849      1.22861   19.2716      1.22256   101.221     330.444     4.20095     330.444     
1 1 1 12 16 6  o 77.3162 2.36169 10.4334      0.943201  11.6367      0.94315   82.8772     218.403     24.5155     218.403     
1 1 1 12 16 7  o 146.126 2.34456 39.4212      1.84072   39.2176      1.70891   166.203     213.536     49.9879     213.536     
1 1 1 12 16 8  o 50.0621 2.7774  4.79668      0.716329  4.51122      0.713145  27.4133     274.485     33.8693     94.4853     
1 1 1 12 16 9  o 58.095  2.45235 6.41406      0.735484  6.07263      0.734384  64.8134     213.162     37.4826     213.162     
1 1 1 12 16 10 o 80.9534 2.29267 12.512       0.965792  11.6793      0.953955  86.1475     206.868     21.1855     206.868     
1 1 1 12 16 11 o 107.98  2.25613 21.6493      1.26239   21.3544      1.26044   84.3804     306.485     39.1157     126.485     
1 1 1 12 16 12 o 85.0321 2.31931 13.7865      1.021     12.9212      1.01898   94.6844     171.374     29.2343     171.374     
1 1 1 12 16 13 o 109.565 2.26073 22.7889      1.28815   21.5289      1.27654   102.162     83.6767     6.39543     263.677     
1 1 1 12 16 14 o 41.5755 2.75852 3.19103      0.587729  3.26182      0.587288  33.8801     99.4086     5.39182     279.409     
1 1 1 12 16 15 o 69.8858 2.61232 9.54762      0.949138  8.58697      0.935409  52.9513     266.409     26.7372     86.4093     
1 1 1 12 16 16 o 88.5938 2.50461 12.8282      1.13812   16.3641      1.14524   94.9752     71.4593     21.4634     71.4593     
1 1 1 12 16 17 o 37.6955 3.02825 3.33806      0.567991  2.08532      0.564719  13.5518     254.108     41.1478     74.1083     
1 1 1 12 16 18 o 62.4654 3.04389 6.94018      0.83474   7.66979      1.11496   54.7984     40.5225     7.07738     220.523     
1 1 1 12 16 19 f 55.5633 3.06956 5.23605      0.747016  6.37834      1.0064    48.8636     208.662     0           0           
1 1 1 12 16 20 o 28.2263 3.4171  1.71158      0.493838  1.36603      0.468894  15.0123     205.927     15.7272     25.9272     
1 1 1 12 16 21 o 46.9086 2.96037 3.95766      0.755826  4.33156      0.658067  34.4371     225.442     16.7269     45.4417     
1 1 1 12 16 22 o 74.8843 2.55892 10.2105      1.03534   10.7239      0.939838  61.0523     141.241     18.6268     321.241     
1 1 1 12 16 23 o 47.0437 2.84756 3.46932      0.67643   4.94198      0.680746  51.4481     288.45      18.7695     288.45      
1 1 1 12 16 24 f 26.3647 3.63429 2.23847      0.506771  0.644454     0.463698  34.3728     246.993     0           0           
1 1 1 12 16 25 o 23.0691 3.93363 1.33006      0.488282  0.812239     0.451853  8.96846     78.427      20.6139     258.427     
1 1 1 12 16 26 o 44.7054 3.02221 3.52812      0.694857  4.11067      0.683855  43.8852     327.448     6.72112     327.448     
1 1 1 12 16 27 o 66.3036 2.8423  7.76287      0.913469  8.9315       1.03219   55.0613     55.2891     13.0525     235.289     
1 1 1 12 16 28 o 73.4744 3.09486 10.4365      1.14081   10.1726      1.20381   71.4145     340.662     6.53637     340.662     
1 1 1 12 16 29 o 8.06077 2.73353 -0.585483    0.352988  -0.347251    0.310559  15.0732     294.469     41.3332     294.469     
1 1 1 12 16 30 o 41.9509 3.3154  3.19882      0.719513  3.65363      0.69151   35.9028     78.3363     4.04133     258.336     
1 1 1 12 16 31 o 28.0375 3.96542 1.54362      0.544962  1.65382      0.567498  25.428      45.9911     3.09241     45.9911     
1 1 1 12 16 32 o 43.4733 3.19852 4.94315      0.701874  2.60699      0.662729  39.4321     335.807     0.817877    335.807     
1 1 1 12 16 33 o 19.2074 4.11539 1.1063       0.482502  0.368453     0.468182  14.7861     247.568     4.09436     247.568     
1 1 1 12 16 34 o 14.9989 4.13877 0.366983     0.483504  0.310619     0.445933  0.24083     101.333     22.8366     281.333     
1 1 1 12 16 35 o 12.0949 3.76759 -0.38879     0.465529  0.175338     0.483731  2.13373     68.339      8.64025     248.339     
1 1 1 12 16 36 o 26.6452 5.0035  1.18563      0.675189  2.03677      0.754772  22.6545     356.305     1.13766     356.305     
1 1 1 12 16 37 o 21.0756 4.6344  1.35639      0.630909  0.630244     0.516623  8.01922     352.869     19.0512     172.869     
1 1 1 12 16 38 o 15.2275 4.24075 0.500162     0.501881  0.253014     0.489706  6.347       3.77574     9.91172     183.776     
1 1 1 12 16 39 o 17.3413 4.318   0.966182     0.52467   0.237271     0.503978  9.32523     66.6705     8.32661     246.671     
1 1 1 12 16 40 o 12.3868 3.85062 -0.00312385  0.47805   0.0790051    0.477862  4.77887     333.269     5.84731     153.269     
1 1 1 12 16 41 o 18.539  4.37988 1.22376      0.549011  0.280116     0.539097  11.5766     303.117     5.46894     123.117     
1 1 1 12 16 42 o 10.4906 3.47674 -0.227095    0.463424  -0.36206     0.490252  1.10424     35.3425     7.07609     215.343     
1 1 1 12 16 43 o 15.38   4.37084 0.183113     0.558503  0.692456     0.543518  6.85905     174.866     1.4198      174.866     
1 1 1 12 16 44 o 17.8042 4.62081 0.604083     0.558095  0.970161     0.574109  11.6387     309.685     1.73541     129.685     
1 1 1 12 16 45 o 23.7739 4.88726 1.50836      0.646402  1.53523      0.630289  21.6885     298.563     7.80836     298.563     
1 1 1 12 16 46 o 20.4178 4.84208 1.45518      0.619242  0.848522     0.634721  11.0799     335.475     8.73545     155.475     
1 1 1 12 16 47 o 9.7461  3.33872 -0.114974    0.551193  -1.01184     0.470903  1.95168     193.834     12.0108     193.834     
1 1 1 12 16 48 o 19.6761 4.9732  1.65812      0.671535  0.454942     0.829232  13.6838     158.243     1.30151     158.243     
1 1 1 12 16 49 o 12.0406 3.89615 -1.20231     0.703574  0.451656     0.56095   2.47984     83.0816     2.62033     263.082     
1 1 1 12 16 50 o 11.7548 3.86314 -0.515652    0.579891  0.250203     0.585569  2.32943     161.999     1.51026     341.999     
1 1 1 12 17 0  o 173.515 2.24454 55.3741      2.01729   55.3741      2.01729   243.414     3.05255e-06 147.182     3.05255e-06 
1 1 1 12 17 1  o 30.2046 3.3589  2.14382      0.502527  1.36004      0.497535  11.6164     238.768     10.5126     58.7679     
1 1 1 12 17 2  o 70.129  2.4158  8.51949      0.873941  9.67574      0.874391  53.2794     123.632     24.7021     303.632     
1 1 1 12 17 3  f 55.6173 2.46618 5.36924      0.705261  6.09607      0.707392  68.8335     326.926     0           0           
1 1 1 12 17 4  o 17.7446 3.72013 0.757213     0.382582  0.423601     0.364631  9.53454     13.5256     34.3184     13.5256     
1 1 1 12 17 5  o 121.127 2.26426 26.2218      1.42129   27.9061      1.4184    115.089     266.554     3.01999     86.5544     
1 1 1 12 17 6  o 69.0742 2.3691  8.37575      0.842607  9.27452      0.847369  60.0751     346.494     8.96293     166.494     
1 1 1 12 17 7  o 86.5508 2.39401 12.7416      1.10009   14.985       1.03149   64.7457     249.242     35.7225     69.2423     
1 1 1 12 17 8  o 104.097 2.48278 19.2873      1.33723   20.787       1.33685   103.012     284.108     6.60792     284.108     
1 1 1 12 17 9  o 71.2892 2.4     9.36485      0.856845  9.44158      0.911158  73.4356     309.694     13.1228     309.694     
1 1 1 12 17 10 o 170.313 2.22769 53.8323      1.96715   53.1977      1.96617   166.181     213.997     2.76779     213.997     
1 1 1 12 17 11 o 18.6344 3.45032 0.962481     0.363897  0.378347     0.341762  0.446558    58.9433     19.3544     238.943     
1 1 1 12 17 12 o 68.5433 2.70847 8.63188      0.836661  8.83051      1.06778   60.0778     198.949     8.99768     18.9494     
1 1 1 12 17 13 o 92.0266 2.54887 14.3416      1.06418   17.1275      1.36354   72.7862     78.9961     30.1218     258.996     
1 1 1 12 17 14 o 11.4246 3.27375 0.0949657    0.322288  0.114573     0.281304  2.51922     325.878     7.40616     325.878     
1 1 1 12 17 15 o 47.4313 3.01697 3.80315      0.773774  4.66223      0.670302  42.4523     155.438     0.726818    335.438     
1 1 1 12 17 16 o 33.9978 4.22711 2.5659       0.883608  1.95067      0.547975  7.45147     329.285     45.6905     149.285     
1 1 1 12 17 17 o 61.6617 2.71982 6.64145      0.89995   7.57301      0.819044  43.9485     1.92565     27.2212     181.926     
1 1 1 12 17 18 o 22.7778 3.54882 1.34563      0.428627  0.710571     0.396495  9.88572     107.983     10.8321     287.983     
1 1 1 12 17 19 o 101.045 2.30582 18.7166      1.20213   19.2216      1.21011   101.475     52.5699     12.0495     52.5699     
1 1 1 12 17 20 o 103.299 2.31502 18.7209      1.22983   21.0086      1.24382   105.622     226.701     16.3412     226.701     
1 1 1 12 17 21 o 101.737 2.33239 19.5065      1.23139   19.0615      1.22533   109.288     28.639      27.1212     28.639      
1 1 1 12 17 22 o 72.4227 2.4261  9.58102      0.908896  10.0378      0.907041  73.595      202.16      12.2398     202.16      
1 1 1 12 17 23 o 67.7993 2.49665 8.23884      0.87381   9.01701      0.873542  62.484      248.881     1.15245     68.8813     
1 1 1 12 17 24 o 35.5894 3.12805 2.82544      0.589315  2.0762       0.535488  17.1713     263.335     30.1349     83.3351     
1 1 1 12 17 25 o 20.8821 4.15718 0.904755     0.483838  0.852579     0.454143  12.7221     179.688     7.50331     359.688     
1 1 1 12 17 26 o 14.7911 3.98204 0.350472     0.44931   0.299703     0.395897  0.249242    11.898      22.1605     191.898     
1 1 1 12 17 27 o 67.3456 2.73666 7.71707      0.924867  9.52726      0.973984  66.6315     297.761     9.10606     297.761     
1 1 1 12 17 28 o 25.7587 3.87044 1.68523      0.511984  1.02243      0.494621  22.1395     118.619     0.898299    118.619     
1 1 1 12 17 29 o 56.2593 3.10877 5.88336      0.908767  6.33715      0.887783  48.5794     69.5264     5.46194     249.526     
1 1 1 12 17 30 o 22.7213 4.57459 0.692235     0.676525  1.39944      0.52762   17.6116     75.4297     1.42916     255.43      
1 1 1 12 17 31 o 40.8469 3.12267 3.03631      0.650123  3.48891      0.647701  44.7962     25.5199     17.6102     25.5199     
1 1 1 12 17 32 o 23.0068 4.25035 1.24833      0.521646  0.985866     0.506801  20.5874     227.195     5.46552     227.195     
1 1 1 12 17 33 o 27.1626 4.04632 1.06436      0.555889  2.0672       0.557054  14.359      241.113     18.0929     61.1127     
1 1 1 12 17 34 o 22.7315 4.27811 0.892341     0.517887  1.32286      0.520973  19.8052     189.46      3.99283     189.46      
1 1 1 12 17 35 o 10.1377 3.318   -0.703287    0.438717  -0.038188    0.421817  0.573105    192.125     12.0656     192.125     
1 1 1 12 17 36 f 13.2489 4.02592 -0.612237    0.53853   0.448441     0.549986  15.8792     281.141     0           0           
1 1 1 12 17 37 o 10.7778 3.40316 0.23246      0.429124  -0.940836    0.449339  0.689866    159.242     12.0929     339.242     
1 1 1 12 17 38 o 19.413  4.00509 5.71119e-05  0.519256  1.50776      0.532471  15.8456     81.2688     1.96755     81.2687     
1 1 1 12 17 39 o 45.8608 3.28273 5.10627      0.771781  3.66307      0.748948  48.0916     269.207     16.7624     269.207     
1 1 1 12 17 40 o 12.7462 3.85259 -0.236832    0.48193   0.38262      0.468773  2.05083     196.204     0.109328    16.2041     
1 1 1 12 17 41 o 25.8974 4.58831 1.1621       0.604957  2.16181      0.658705  26.8062     24.7089     15.1312     24.7089     
1 1 1 12 17 42 o 32.9063 4.32018 2.13984      0.690941  3.00354      0.72432   31.6009     107.583     9.02322     107.583     
1 1 1 12 17 43 o 18.067  4.63041 0.572227     0.578448  1.05349      0.570635  11.1399     248.372     5.57394     248.372     
1 1 1 12 17 44 o 32.2314 4.30235 2.21264      0.688625  2.85085      0.692508  33.7708     71.2081     15.9573     71.2081     
1 1 1 12 17 45 o 15.3408 4.2336  -0.268797    0.54918   1.05309      0.575036  7.25379     40.5849     2.60157     220.585     
1 1 1 12 17 46 o 19.4071 4.44528 1.6458       0.603455  0.280216     0.58402   13.4587     169.852     3.09182     169.852     
1 1 1 12 17 47 o 18.1346 5.02481 1.20369      0.713215  0.734355     0.676397  9.74815     86.0358     5.41054     266.036     
1 1 1 12 17 48 o 11.2559 3.72812 -0.46646     0.542584  0.108049     0.561842  1.03122     191.71      1.47079     11.7097     
1 1 1 12 17 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 18 0  o 88.9313 2.29882 14.6054      1.0565    14.6054      1.0565    103.931     5.56729e-06 35.3495     5.56729e-06 
1 1 1 12 18 1  o 10.9375 3.18693 0.17105      0.302413  -0.0721733   0.293857  10.8119     158.744     28.9131     158.744     
1 1 1 12 18 2  o 58.5643 2.47511 6.04247      0.750092  6.68965      0.743885  47.8509     170.948     13.591      350.948     
1 1 1 12 18 3  o 64.3158 2.40485 7.33052      0.80111   8.00551      0.795154  68.2362     137.8       16.8957     137.8       
1 1 1 12 18 4  o 53.2112 2.47529 4.80235      0.67588   5.7325       0.67784   38.9506     108.945     20.8321     288.945     
1 1 1 12 18 5  o 28.9649 3.14557 1.75301      0.456853  1.4432       0.454392  20.4564     51.4374     0.574798    231.438     
1 1 1 12 18 6  o 22.5988 3.85525 0.773452     0.365269  1.24284      0.532358  1.96046     35.0855     39.8891     35.0855     
1 1 1 12 18 7  f 41.8435 3.11436 3.12261      0.564667  3.46447      0.758812  43.1903     300.572     0           0           
1 1 1 12 18 8  o 26.7538 3.62417 1.03352      0.441297  1.77539      0.529765  12.2234     261.264     17.4588     81.2644     
1 1 1 12 18 9  o 47.2975 3.22747 4.85401      0.815388  3.60811      0.74256   42.4099     0.688922    0.401419    180.689     
1 1 1 12 18 10 o 67.2412 2.73177 9.1708       1.01868   7.70391      0.879247  61.7752     192.813     2.16264     12.8128     
1 1 1 12 18 11 o 35.3819 2.75625 2.31806      0.534485  2.38819      0.453982  21.9679     332.83      17.7685     152.83      
1 1 1 12 18 12 o 31.1965 3.1757  1.58532      0.523537  2.13941      0.447671  18.9239     250.196     14.2817     70.1961     
1 1 1 12 18 13 f 44.6315 2.95509 4.61097      0.67001   2.96937      0.655468  29.4584     356.847     0           0           
1 1 1 12 18 14 o 74.9813 2.58446 11.109       0.932681  9.85852      1.05547   52.3103     69.6866     36.4282     249.687     
1 1 1 12 18 15 o 112.961 2.76429 23.9138      1.49876   23.7261      1.72407   131.241     201.837     49.1563     201.837     
1 1 1 12 18 16 o 53.2126 2.67161 5.46207      0.762401  5.14947      0.701868  53.6407     77.4854     10.4222     77.4854     
1 1 1 12 18 17 o 33.8997 2.81452 2.07163      0.488517  2.28565      0.480029  29.1357     91.7591     0.483153    91.7591     
1 1 1 12 18 18 o 73.6312 2.35017 9.7368       0.889637  10.4932      0.899085  84.2254     305.708     31.7768     305.708     
1 1 1 12 18 19 o 15.9303 3.67244 0.338301     0.359151  0.588504     0.350246  10.1962     334.663     45.7682     334.663     
1 1 1 12 18 20 o 49.5815 2.57684 5.06687      0.660529  4.20561      0.650848  47.997      129.146     5.50022     129.146     
1 1 1 12 18 21 o 51.2266 2.61129 4.58324      0.688608  5.32722      0.685225  53.3956     220.99      13.3705     220.99      
1 1 1 12 18 22 o 36.4195 2.97132 2.27643      0.551135  2.8195       0.542476  44.2816     356.097     27.11       356.097     
1 1 1 12 18 23 o 39.5315 2.97001 3.15039      0.616151  2.83747      0.582452  40.0546     293.976     9.42879     293.976     
1 1 1 12 18 24 o 75.2842 2.57916 11.3617      1.01251   10.0334      0.992563  73.3645     170.278     7.44697     170.278     
1 1 1 12 18 25 o 23.9587 3.9314  0.688583     0.501602  1.66087      0.492412  19.3523     153.025     1.09412     333.025     
1 1 1 12 18 26 o 22.5517 3.85086 0.445964     0.483008  1.62974      0.483476  19.4473     173.074     3.12953     173.074     
1 1 1 12 18 27 o 31.255  3.47592 1.81337      0.547938  2.05743      0.538737  28.5021     22.1125     2.67198     22.1124     
1 1 1 12 18 28 f 33.5282 3.39288 2.22832      0.577712  2.21626      0.568017  24.6165     276.315     0           0           
1 1 1 12 18 29 o 17.6188 4.03911 0.202782     0.489736  0.911793     0.436277  11.6256     317.847     2.19917     317.847     
1 1 1 12 18 30 o 14.7096 4.1205  0.523739     0.451622  -0.175834    0.568504  5.33552     58.7672     0.658107    238.767     
1 1 1 12 18 31 o 24.6158 4.54964 1.70599      0.614269  0.91641      0.592145  19.5404     68.8135     1.23022     248.814     
1 1 1 12 18 32 o 71.341  2.66157 9.75251      0.984913  9.85307      0.976538  76.7383     358.886     25.5414     358.886     
1 1 1 12 18 33 o 68.7498 2.70759 8.95311      0.964959  9.37813      0.956519  63.0883     251.957     3.18134     251.957     
1 1 1 12 18 34 o 30.8154 3.95481 1.60261      0.583738  2.44104      0.628476  33.5051     101.571     15.7187     101.571     
1 1 1 12 18 35 o 29.1215 4.35491 1.89293      0.609148  1.8357       0.664116  32.6845     40.7116     18.3043     40.7116     
1 1 1 12 18 36 o 29.736  4.5269  2.41378      0.722611  1.61484      0.637577  28.8534     63.7514     8.03084     63.7514     
1 1 1 12 18 37 o 22.0831 4.13921 0.318444     0.565999  1.85661      0.562853  11.1597     287.776     14.4008     107.776     
1 1 1 12 18 38 o 26.4689 4.48445 2.02868      0.600662  1.26736      0.638505  19.6203     287.358     4.67154     107.358     
1 1 1 12 18 39 o 13.4649 4.02279 0.173331     0.491025  0.26987      0.475867  3.98608     311.905     10.0897     131.905     
1 1 1 12 18 40 o 15.8068 4.40733 0.627234     0.533953  0.402706     0.537065  6.62184     289.301     1.94482     289.301     
1 1 1 12 18 41 o 14.8168 4.24747 -0.0255582   0.528669  0.743194     0.549533  6.37537     180.903     0.864976    180.903     
1 1 1 12 18 42 o 17.8401 4.29442 0.00190641   0.562131  1.37575      0.570016  12.915      261.664     4.89132     261.664     
1 1 1 12 18 43 o 15.3658 3.96403 -0.621136    0.501164  1.20716      0.554485  6.56319     208.152     1.47625     208.152     
1 1 1 12 18 44 o 13.6487 4.16864 0.495784     0.561013  0.0254441    0.535297  4.17182     31.4061     4.874       211.406     
1 1 1 12 18 45 f 17.6187 4.32969 1.43572      0.592565  0.00337365   0.550414  2.19648     110.707     0           0           
1 1 1 12 18 46 f 15.648  4.47549 -0.09682     0.64486   1.05033      0.612714  8.20174     13.5483     0           0           
1 1 1 12 18 47 o 17.2077 4.83905 0.994719     0.637017  0.726998     0.66955   10.6791     301.867     0.0918958   301.867     
1 1 1 12 18 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 19 0  o 57.2806 2.44307 6.11092      0.719289  6.11092      0.719289  63.2588     180         16.4632     180         
1 1 1 12 19 1  f 54.8637 2.97638 4.85855      0.894995  6.47072      0.735932  57.1405     87.9385     0           0           
1 1 1 12 19 2  o 126.741 3.19163 27.6446      2.44866   32.4684      1.54322   147.443     87.3948     54.0312     87.3948     
1 1 1 12 19 3  o 110.368 2.80364 22.592       1.84579   22.7666      1.30525   104.702     193.77      0.246291    13.7702     
1 1 1 12 19 4  o 94.7326 2.28083 16.0108      1.11786   17.2561      1.11767   108.797     147.987     39.1755     147.987     
1 1 1 12 19 5  f 54.8972 2.55012 5.19651      0.67876   6.05091      0.765411  48.3804     96.1998     0           0           
1 1 1 12 19 6  o 63.7364 2.75305 6.30875      0.891248  8.97165      0.897464  84.8205     228.068     55.8629     228.068     
1 1 1 12 19 7  o 15.7037 4.24424 0.375658     0.47181   0.293033     0.49281   0.386255    1.29134     5.5068      1.29134     
1 1 1 12 19 8  o 29.3842 4.81908 1.6549       0.709721  1.78722      0.730066  8.85196     310.165     32.201      130.165     
1 1 1 12 19 9  o 46.8481 3.85638 3.84416      0.897934  4.57589      0.936836  57.557      156.946     41.4143     156.946     
1 1 1 12 19 10 o 84.231  2.88533 12.3216      1.23888   14.2666      1.27      93.8197     54.7663     30.2239     54.7663     
1 1 1 12 19 11 f 36.2705 3.86969 2.64533      0.688865  2.447        0.718331  37.8523     62.666      0           0           
1 1 1 12 19 12 o 31.3211 4.4046  3.42023      0.734127  0.698599     0.709376  21.7709     167.222     9.04701     347.222     
1 1 1 12 19 13 o 16.214  4.42803 0.559975     0.530009  0.0557638    0.564245  0.784932    33.0674     14.8961     213.067     
1 1 1 12 19 14 o 35.672  4.2319  2.29838      0.73136   2.71951      0.777878  25.5592     267.267     11.6107     87.2674     
1 1 1 12 19 15 o 53.6868 3.85325 6.16402      1.06559   4.98994      1.04085   45.7565     84.2503     7.04416     264.25      
1 1 1 12 19 16 o 37.9269 4.26667 3.49457      0.867058  2.25548      0.748254  25.3705     323.004     17.3268     143.004     
1 1 1 12 19 17 o 75.5585 3.01275 11.1613      1.17188   10.4673      1.17731   66.5215     135.277     7.6116      315.277     
1 1 1 12 19 18 o 31.8857 4.0226  2.46085      0.557989  1.60404      0.68686   32.5852     98.2861     11.8336     98.2861     
1 1 1 12 19 19 o 23.9893 3.55108 1.32783      0.39826   0.958254     0.45541   8.03469     289.814     25.3039     109.814     
1 1 1 12 19 20 o 30.8042 2.9733  1.71625      0.460847  1.94239      0.46227   23.4711     266.261     7.26774     86.2606     
1 1 1 12 19 21 o 13.7511 3.40092 0.504613     0.323787  0.106529     0.305116  4.34452     202.943     6.25801     22.9425     
1 1 1 12 19 22 o 36.7182 2.96356 2.41945      0.564191  2.76478      0.538499  28.974      308.632     8.00293     128.632     
1 1 1 12 19 23 o 12.7221 3.52347 0.0902994    0.357178  0.290482     0.329891  0.513582    327.904     16.271      147.904     
1 1 1 12 19 24 o 18.9128 3.80311 0.318206     0.431578  1.0716       0.417348  6.47507     266.528     18.1652     86.5283     
1 1 1 12 19 25 o 42.0706 2.97682 3.49272      0.628582  3.34312      0.651121  41.5866     204.575     8.12386     204.575     
1 1 1 12 19 26 o 32.882  3.24858 2.11424      0.540188  2.14109      0.536989  24.0852     36.8693     9.74024     216.869     
1 1 1 12 19 27 f 48.9891 2.77585 4.5779       0.695025  4.65599      0.70299   36.4113     83.2322     0           0           
1 1 1 12 19 28 o 53.9811 2.73496 5.65999      0.7678    5.55436      0.752642  57.483      34.2245     18.4951     34.2245     
1 1 1 12 19 29 o 18.7326 4.39673 0.770905     0.507731  0.663042     0.489618  8.40326     128.13      12.7813     308.13      
1 1 1 12 19 30 o 15.0899 3.81208 0.780409     0.444937  -0.179553    0.427532  7.15588     321.822     5.50104     141.822     
1 1 1 12 19 31 o 42.2255 3.24403 2.82519      0.681997  4.34962      0.680296  37.6423     56.6795     1.10262     56.6796     
1 1 1 12 19 32 o 51.0521 3.36006 4.93735      0.876808  5.56052      0.877984  46.5408     300.618     2.9339      300.618     
1 1 1 12 19 33 o 12.5551 3.82065 -0.249381    0.52458   0.243376     0.419404  3.99405     190.275     7.62965     10.2748     
1 1 1 12 19 34 o 49.3393 3.23617 4.93985      0.81628   4.9427       0.820181  49.7612     239.164     13.3        239.164     
1 1 1 12 19 35 o 30.3702 4.5976  1.33096      0.729992  3.02082      0.710315  28.3189     239.571     5.72321     239.571     
1 1 1 12 19 36 o 12.6354 3.87904 0.161122     0.503527  0.0322745    0.438028  4.84625     83.1854     1.22947     263.185     
1 1 1 12 19 37 o 19.1614 4.46674 0.733896     0.520237  0.992576     0.517966  14.6702     300.937     7.86943     300.937     
1 1 1 12 19 38 o 32.585  4.12441 2.69357      0.701605  2.16756      0.640752  35.508      115.463     18.3255     115.463     
1 1 1 12 19 39 o 13.9643 4.10216 0.615057     0.513564  -0.230626    0.55181   5.93403     305.288     4.31968     125.288     
1 1 1 12 19 40 o 14.5868 4.22612 -0.0134518   0.53143   0.692675     0.542365  7.11796     120.422     3.3165      300.422     
1 1 1 12 19 41 o 14.1451 4.218   0.330588     0.526875  0.357826     0.530727  5.62537     125.908     0.18079     305.908     
1 1 1 12 19 42 o 26.6221 4.5955  2.34096      0.652219  1.36264      0.639111  25.2073     77.1213     10.2739     77.1213     
1 1 1 12 19 43 o 16.49   4.57062 0.613522     0.571631  0.757536     0.569286  6.83261     312.958     0.88382     312.958     
1 1 1 12 19 44 o 21.5123 4.43055 2.0714       0.639511  0.394682     0.601847  16.2641     20.2667     2.02371     20.2667     
1 1 1 12 19 45 o 12.5565 3.97454 0.379183     0.543966  -0.202039    0.550842  3.02245     10.5927     2.67558     190.593     
1 1 1 12 19 46 o 11.8054 3.94032 0.197111     0.692595  -0.484055    0.543856  0.840792    76.5286     0.517641    256.529     
1 1 1 12 19 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 20 0  o 79.2636 2.32006 11.647       0.94952   11.647       0.94952   97.2249     180         43.6792     180         
1 1 1 12 20 1  o 47.4281 2.54087 4.41236      0.628582  4.01062      0.611052  40.0046     150.961     5.82924     330.961     
1 1 1 12 20 2  o 71.5286 2.37448 9.93952      0.881519  9.11809      0.873406  64.7649     259.847     3.63885     79.8469     
1 1 1 12 20 3  f 23.2406 3.60346 1.62301      0.413354  0.519033     0.468138  12.097      153.672     0           0           
1 1 1 12 20 4  f 59.3526 2.94506 7.41081      0.83422   5.88071      0.93902   62.9928     325.644     0           0           
1 1 1 12 20 5  o 62.1665 3.50638 8.64578      1.01287   6.1407       1.163     61.0165     196.715     7.57899     196.715     
1 1 1 12 20 6  o 71.3623 3.6238  9.49845      1.09749   9.89604      1.53187   64.0321     159.366     4.63229     339.366     
1 1 1 12 20 7  o 33.5063 4.3956  3.03343      0.672808  1.50153      0.761216  29.2815     178.017     2.41994     178.017     
1 1 1 12 20 8  o 14.0441 4.11797 -0.248       0.463374  0.399781     0.555558  0.902755    142.487     12.4325     142.487     
1 1 1 12 20 9  o 78.2466 3.58907 11.8051      1.35402   11.5511      1.53257   95.0368     88.5904     45.3762     88.5904     
1 1 1 12 20 10 o 25.3285 4.89429 0.769763     0.716146  1.79396      0.677122  9.14093     164.141     24.2813     344.141     
1 1 1 12 20 11 o 103.112 4.28586 16.3075      2.44047   25.3378      1.80735   99.7586     31.6235     6.56778     31.6234     
1 1 1 12 20 12 o 18.8018 5.02552 -0.317469    0.932059  0.888929     0.606882  8.20341     258.336     7.11377     78.3358     
1 1 1 12 20 13 o 37.7472 4.17483 3.29902      0.873551  2.37665      0.709572  43.1482     127.261     22.1641     127.261     
1 1 1 12 20 14 o 22.6432 4.66254 1.73582      0.710002  0.333679     0.56155   15.7606     105.731     2.84163     285.731     
1 1 1 12 20 15 o 10.7116 3.50739 -1.57605     0.458353  0.117124     0.539276  2.16024     284.551     12.3667     284.551     
1 1 1 12 20 16 o 29.2281 4.85036 2.47789      0.800002  1.13088      0.681307  13.371      268.697     24.7089     88.6971     
1 1 1 12 20 17 o 22.2774 4.706   0.892096     0.557093  1.12971      0.614928  14.0296     318.294     8.21676     138.294     
1 1 1 12 20 18 o 33.079  4.16206 2.41217      0.669467  1.98352      0.6999    25.9456     60.3        6.69853     240.3       
1 1 1 12 20 19 o 17.4423 4.58752 0.483495     0.531274  0.534754     0.576462  7.96394     306.607     10.5075     126.607     
1 1 1 12 20 20 o 32.7955 4.52412 2.30592      0.754836  2.1016       0.72826   24.8882     82.3769     8.00404     262.377     
1 1 1 12 20 21 o 15.4036 4.38909 0.499108     0.56432   -0.0189178   0.543937  7.05648     17.4771     2.18522     197.477     
1 1 1 12 20 22 o 21.9766 4.82995 0.913934     0.501202  1.09498      0.720179  19.0056     153.057     6.13704     153.057     
1 1 1 12 20 23 o 21.473  4.14054 0.813583     0.441419  1.10075      0.508328  17.4042     237.079     1.6884      237.079     
1 1 1 12 20 24 o 40.2668 2.99271 3.33287      0.613373  2.96779      0.615035  35.3745     305.728     0.704406    125.728     
1 1 1 12 20 25 o 23.4427 4.12106 1.19889      0.556378  1.09296      0.441999  16.9692     300.103     4.57226     120.103     
1 1 1 12 20 26 o 40.28   3.01193 3.65554      0.620476  2.71378      0.606758  47.2648     192.487     24.882      192.487     
1 1 1 12 20 27 o 12.7848 3.66747 0.199815     0.384841  0.160752     0.37337   2.89989     349.471     9.09048     169.471     
1 1 1 12 20 28 o 10.2649 3.16662 0.164744     0.352742  -0.325332    0.309878  0.0721349   320.456     8.77394     140.456     
1 1 1 12 20 29 o 23.5294 4.19897 1.35128      0.5191    1.03096      0.510181  23.5389     270.493     13.3852     270.493     
1 1 1 12 20 30 o 36.7356 3.53948 3.02093      0.640197  2.50241      0.662793  39.0705     9.16714     15.1787     9.16714     
1 1 1 12 20 31 o 16.9152 4.13986 0.443177     0.445565  0.720174     0.450423  11.9837     159.538     3.79486     159.538     
1 1 1 12 20 32 o 50.214  3.07951 3.73168      0.75113   6.56711      0.785887  56.6804     58.615      25.991      58.615      
1 1 1 12 20 33 o 43.4098 3.79002 2.75214      0.732514  5.46398      0.899001  40.3004     355.801     5.4498      355.801     
1 1 1 12 20 34 o 14.1798 4.38251 0.104094     0.600962  0.19196      0.620392  6.80052     247.334     0.775394    247.334     
1 1 1 12 20 35 o 17.4684 4.55344 0.437002     0.593708  0.869379     0.532519  7.62609     286.73      11.5873     106.73      
1 1 1 12 20 36 o 10.7301 3.40497 0.202402     0.424361  -0.527386    0.408063  1.41258     359.5       4.01278     179.5       
1 1 1 12 20 37 o 17.0815 4.40557 0.93935      0.526928  0.360478     0.534226  10.4901     296.334     2.24061     116.334     
1 1 1 12 20 38 o 46.6694 3.54726 5.2967       0.841857  4.26365      0.835702  50.0949     290.401     21.7185     290.401     
1 1 1 12 20 39 o 28.0325 4.69549 2.47792      0.716445  1.56446      0.642341  28.9167     174.734     14.605      174.734     
1 1 1 12 20 40 o 14.4433 4.26166 0.611863     0.541078  0.107403     0.554209  3.83785     342.644     0.268236    342.644     
1 1 1 12 20 41 o 15.6757 4.52763 0.525155     0.557449  0.606697     0.607118  7.18239     135.43      2.66663     315.43      
1 1 1 12 20 42 o 16.4597 4.64426 0.738881     0.631086  0.625242     0.562863  7.25301     279.91      0.780797    279.91      
1 1 1 12 20 43 o 18.2484 4.75155 0.809007     0.583217  1.06207      0.605028  11.4659     191.881     3.42218     191.881     
1 1 1 12 20 44 o 9.73992 3.30875 -0.962443    0.493099  -0.0518642   0.501528  0.276645    356.712     3.11319     176.712     
1 1 1 12 20 45 o ?       ?       ?            ?         ?            ?         7.95133     7.29184     0           0           
1 1 1 12 21 0  o 66.3065 2.4093  8.19438      0.823071  8.19438      0.823071  51.2213     180         22.3538     8.65135e-06 
1 1 1 12 21 1  o 51.5029 2.48072 5.21064      0.661351  4.75004      0.654445  70.3231     262.993     50.9559     262.993     
1 1 1 12 21 2  o 20.8507 3.52617 1.22903      0.368689  0.479889     0.422233  11.8143     310.501     6.9869      130.501     
1 1 1 12 21 3  o 18.9245 4.51138 0.745538     0.514715  0.586739     0.538901  2.05928     347.744     25.6359     167.744     
1 1 1 12 21 4  o 53.3819 3.3065  5.85648      0.900178  5.0487       0.906073  54.5023     294.942     11.8495     294.942     
1 1 1 12 21 5  o 94.1993 2.92913 17.0633      1.42723   16.4504      1.42594   103.313     218.462     31.4453     218.462     
1 1 1 12 21 6  o 25.3327 4.13631 0.299507     0.553282  2.36868      0.657851  20.8446     122.373     2.281       122.373     
1 1 1 12 21 7  o 32.7615 4.21031 1.70793      0.650583  2.61701      0.724275  28.1724     255.773     0.271098    75.7729     
1 1 1 12 21 8  o 49.1661 3.70182 5.0443       0.925597  4.34559      0.926858  37.5656     1.47354     14.6001     181.474     
1 1 1 12 21 9  o 33.4528 5.14641 3.07338      0.855527  1.61671      0.900263  21.1678     143.602     16.7246     323.602     
1 1 1 12 21 10 o 46.6384 3.98316 4.78672      0.906686  3.77857      0.956783  39.6105     24.0739     5.34402     204.074     
1 1 1 12 21 11 o 49.0356 3.35285 4.86543      0.845357  4.40191      0.836351  55.5838     242.938     22.9589     242.938     
1 1 1 12 21 12 o 53.6426 3.37119 6.76226      0.923765  4.4318       0.899115  43.3598     49.3892     11.4222     229.389     
1 1 1 12 21 13 o 41.0715 3.80558 3.57882      0.779426  3.05019      0.794835  28.1314     317.74      18.0395     137.74      
1 1 1 12 21 14 o 70.9353 3.07404 9.07072      1.11107   10.144       1.13719   60.7754     273.02      8.98321     93.0201     
1 1 1 12 21 15 o 16.0869 4.74804 -0.0265905   0.654924  0.389806     0.679208  7.9348      177.253     2.26474     357.253     
1 1 1 12 21 16 o 44.1487 4.41926 4.24858      0.988925  3.61178      0.972312  34.7092     186.214     10.1435     6.21435     
1 1 1 12 21 17 o 26.644  4.99862 1.62661      0.653836  1.35894      0.76093   16.7603     190.579     12.1289     10.5786     
1 1 1 12 21 18 o 14.5747 4.38519 0.0437992    0.495974  0.189205     0.657734  3.69643     228.539     0.633938    48.539      
1 1 1 12 21 19 o 22.1963 5.21974 1.13964      0.660489  0.872966     0.762443  10.8045     128.378     15.1636     308.378     
1 1 1 12 21 20 o 19.0629 4.96479 0.873006     0.621311  0.387859     0.712573  7.86014     211.768     14.6089     31.7684     
1 1 1 12 21 21 o 45.9543 4.81118 4.0614       1.01196   4.79802      1.21206   41.4868     229.71      1.30759     229.71      
1 1 1 12 21 22 o 32.9223 5.24731 3.239        0.83043   1.53692      0.975691  26.2077     211.964     4.38302     31.9642     
1 1 1 12 21 23 o 24.7976 5.27042 1.24935      0.638215  1.47257      0.828584  22.4014     92.6165     6.12259     92.6165     
1 1 1 12 21 24 o 38.3497 4.36501 2.29808      0.800006  3.92998      0.844575  26.3392     265.109     14.6686     85.1093     
1 1 1 12 21 25 o 13.2363 3.97525 0.0674366    0.338213  0.217047     0.596014  3.51985     112.441     9.05276     292.441     
1 1 1 12 21 26 o 58.586  2.91442 5.98704      0.904473  7.43821      0.833478  55.4228     321.005     6.84745     321.005     
1 1 1 12 21 27 o 10.1523 3.15793 -0.0706613   0.359076  -0.00731532  0.28466   0.733622    160.984     3.59842     340.984     
1 1 1 12 21 28 o 29.568  4.21199 1.65785      0.680252  2.10414      0.557844  23.4476     200.186     3.25917     20.1857     
1 1 1 12 21 29 o 17.9237 4.27459 1.0362       0.5382    0.314209     0.44767   11.7943     222.14      6.31446     222.14      
1 1 1 12 21 30 o 19.3002 4.26025 1.35963      0.578162  0.304948     0.441853  16.3161     112.671     4.6865      112.671     
1 1 1 12 21 31 o 26.3855 4.31904 1.60593      0.617235  1.53946      0.541119  24.4242     42.0653     5.66543     42.0653     
1 1 1 12 21 32 o 25.4201 4.41412 1.21548      0.597771  1.77857      0.572971  24.0035     129.998     7.24931     129.998     
1 1 1 12 21 33 o 28.6666 4.60787 1.83832      0.704879  2.03732      0.635349  22.0722     43.1169     3.31082     223.117     
1 1 1 12 21 34 o 16.7877 4.56323 0.775657     0.593622  0.460499     0.52837   10.5157     186.943     0.445196    6.94322     
1 1 1 12 21 35 o 16.7339 4.63377 0.597641     0.551411  0.647959     0.617629  9.26424     68.8643     4.3471      248.864     
1 1 1 12 21 36 o 13.9873 4.3741  0.510618     0.689408  -0.171097    0.569384  5.60435     149.169     1.15511     329.169     
1 1 1 12 21 37 o 12.5389 3.95867 0.356641     0.582875  -0.241952    0.471333  3.0219      203.563     1.08965     23.5627     
1 1 1 12 21 38 f 12.1187 3.85852 0.430832     0.581489  -0.482245    0.460321  10.9967     130.023     0           0           
1 1 1 12 21 39 o 13.4974 4.15125 0.315138     0.576889  0.183028     0.505662  4.08935     190.319     4.98636     10.3187     
1 1 1 12 21 40 o 19.7906 4.94104 1.16093      0.670563  1.06099      0.593804  13.4575     151.789     2.34072     151.789     
1 1 1 12 21 41 o 12.2825 3.9106  -0.453729    0.58242   0.354943     0.528447  1.53663     321.656     1.77351     141.656     
1 1 1 12 21 42 o 14.9916 4.49697 0.373525     0.606475  0.625491     0.613364  6.7254      55.3868     3.5202      235.387     
1 1 1 12 21 43 o 15.8226 4.64908 0.89992      0.680916  0.398845     0.58012   6.49689     100.621     2.09216     100.621     
1 1 1 12 21 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 22 0  o 49.0908 2.53378 4.53936      0.636701  4.53936      0.636701  49.636      1.29498e-05 7.89764     1.29498e-05 
1 1 1 12 22 1  o 35.5495 3.37362 2.33213      0.551509  2.57705      0.659298  17.0391     153.4       29.8969     333.4       
1 1 1 12 22 2  o 21.0975 4.34401 1.18466      0.508276  0.571282     0.543094  15.4828     125.174     0.838979    305.174     
1 1 1 12 22 3  o 69.2834 3.20972 9.11922      1.086     9.23551      1.20385   68.0343     54.5331     8.85252     54.5331     
1 1 1 12 22 4  o 71.4083 3.21524 9.48579      1.12418   10.0175      1.24304   64.2367     220.19      2.8592      40.19       
1 1 1 12 22 5  o 14.3522 4.04893 -0.216323    0.437443  0.549849     0.527802  4.71022     245.523     6.72896     65.5231     
1 1 1 12 22 6  o 14.9401 4.29209 0.177694     0.498655  0.277563     0.54154   1.25809     58.7408     25.812      58.7408     
1 1 1 12 22 7  o 32.443  4.57735 3.17346      0.746006  1.25664      0.746543  38.3884     324.792     23.7943     324.792     
1 1 1 12 22 8  o 108.625 3.02378 23.7658      1.76591   21.1695      1.63345   113.987     143.346     27.6472     143.346     
1 1 1 12 22 9  o 47.3903 4.0836  4.76373      0.978803  4.13745      0.980536  55.5896     31.5395     26.7313     31.5395     
1 1 1 12 22 10 o 38.1207 4.5098  4.27269      0.774122  1.81553      0.848665  31.2215     227.711     5.37727     47.7111     
1 1 1 12 22 11 o 17.1706 4.45422 0.70422      0.53389   0.261438     0.531319  9.81041     52.9317     3.76082     232.932     
1 1 1 12 22 12 o 37.7971 3.88392 2.63637      0.721289  3.05005      0.754968  39.2247     161.193     12.1819     161.193     
1 1 1 12 22 13 o 26.2182 4.6659  1.60726      0.632742  1.26757      0.639802  24.817      47.1004     7.19152     47.1004     
1 1 1 12 22 14 o 15.1268 4.30772 0.175284     0.508724  0.358608     0.532051  4.93647     99.0613     11.2387     279.061     
1 1 1 12 22 15 o 45.7291 4.45067 4.78548      1.0226    3.77388      1.01671   43.084      84.5594     4.73763     84.5594     
1 1 1 12 22 16 o 51.5227 4.08906 5.16973      1.183     5.50313      0.924618  51.3078     208.149     10.5159     208.149     
1 1 1 12 22 17 o 15.4952 4.32884 -0.183613    0.54257   0.656181     0.562311  1.38106     303.323     21.1174     123.323     
1 1 1 12 22 18 o 41.739  4.34002 3.5637       0.940115  3.59445      0.87985   38.4712     69.7282     3.47546     69.7283     
1 1 1 12 22 19 o 49.8075 4.15131 4.89772      1.05391   5.20714      1.04704   47.8744     318.037     7.38396     318.037     
1 1 1 12 22 20 o 23.9796 5.08282 1.64889      0.706669  0.845652     0.707414  18.8292     265.93      0.701556    85.93       
1 1 1 12 22 21 o 17.7806 4.67243 0.924834     0.608706  0.0847593    0.622746  8.74882     298.351     3.3112      298.351     
1 1 1 12 22 22 o 52.3041 3.77959 5.80922      0.984749  5.25014      1.029     45.6991     276.862     1.19844     96.8619     
1 1 1 12 22 23 f 38.5306 4.24642 3.79091      0.820519  2.48202      0.795187  31.8317     3.69718     0           0           
1 1 1 12 22 24 o 36.2971 4.57284 3.51244      0.826136  2.23036      0.813572  30.6909     319.701     1.1855      139.701     
1 1 1 12 22 25 o 27.0086 5.0127  1.9228       0.708036  1.40982      0.728101  19.3047     14.0617     6.54831     194.062     
1 1 1 12 22 26 o 16.3769 4.71665 0.283019     0.614396  0.53475      0.649675  1.90288     173.077     22.17       353.077     
1 1 1 12 22 27 f 16.5772 4.7286  0.520186     0.635631  0.402378     0.617533  9.13438     244.664     0           0           
1 1 1 12 22 28 o 40.741  4.18297 4.12076      0.718512  3.08072      0.914311  41.8121     69.961      13.8789     69.961      
1 1 1 12 22 29 o 22.899  4.09775 1.20389      0.490437  1.14545      0.483144  16.0419     354.971     5.37028     174.971     
1 1 1 12 22 30 o 32.2485 3.70416 2.6813       0.6093    1.8214       0.57581   37.0552     86.1335     21.5513     86.1335     
1 1 1 12 22 31 o 8.14651 2.7524  -0.170351    0.352336  -0.546014    0.289978  0.60327     128.306     4.40812     128.306     
1 1 1 12 22 32 o 35.0484 3.95682 3.54627      0.693992  2.01546      0.660534  32.4209     64.2922     6.56204     64.2922     
1 1 1 12 22 33 o 30.0008 4.18028 2.7017       0.663629  1.53458      0.592631  28.4843     123.874     8.60964     123.874     
1 1 1 12 22 34 o 18.5312 4.66672 1.03732      0.593007  0.680698     0.544199  12.8694     169.294     5.74167     169.294     
1 1 1 12 22 35 o 13.476  3.93782 -0.234885    0.488708  0.612752     0.487688  1.47994     13.5602     0.143715    13.5603     
1 1 1 12 22 36 o 15.2118 4.3405  0.142685     0.545588  0.768179     0.554804  7.66909     260.868     1.84916     80.8675     
1 1 1 12 22 37 o 17.396  4.85214 0.471122     0.676848  1.05119      0.655311  10.0481     328.515     1.02561     148.515     
1 1 1 12 22 38 o 22.9054 5.10666 1.59191      0.754161  1.42271      0.607322  18.6229     317.658     8.48077     317.658     
1 1 1 12 22 39 o 14.238  4.04944 -0.413057    0.545472  0.861915     0.526134  5.04236     240.815     2.49906     60.8155     
1 1 1 12 22 40 o 24.5301 4.89375 2.03205      0.67372   1.37957      0.647739  22.3954     245.102     10.6125     245.102     
1 1 1 12 22 41 o 15.5645 4.26278 -0.256598    0.586655  1.13802      0.573341  7.83096     155.498     1.3621      155.498     
1 1 1 12 22 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 23 0  o 15.5367 5.70963 0.698046     0.596842  0.698046     0.596842  8.96677     180         4.52971     360         
1 1 1 12 23 1  o 43.699  3.73019 3.92413      0.845345  3.60033      0.810324  41.0309     136.842     4.11509     136.842     
1 1 1 12 23 2  o 83.243  3.38029 13.0045      1.48714   13.7806      1.41294   75.1959     250.809     1.58755     70.8091     
1 1 1 12 23 3  o 46.9967 3.74953 4.68799      0.874153  4.02013      0.910594  51.8083     295.537     20.0466     295.537     
1 1 1 12 23 4  o 21.0767 4.52634 0.363129     0.554415  1.40137      0.609079  14.1741     256.888     5.03393     76.8877     
1 1 1 12 23 5  o 38.2919 4.13218 3.78024      0.812249  2.21259      0.747936  36.815      2.07639     6.3499      2.07639     
1 1 1 12 23 6  o 40.2969 4.12731 2.5957       0.830353  3.99158      0.798823  42.4165     317.702     14.1519     317.702     
1 1 1 12 23 7  o 18.4388 4.50687 0.333747     0.516167  0.930142     0.567437  12.5416     301.788     2.25315     301.788     
1 1 1 12 23 8  o 16.9587 4.38345 0.774481     0.525819  0.128331     0.536191  9.92954     214.39      0.416281    34.3901     
1 1 1 12 23 9  o 41.7233 4.04236 3.19667      0.883965  3.81099      0.797293  38.3071     154.473     2.80587     154.473     
1 1 1 12 23 10 o 20.4526 4.81209 1.16422      0.594831  0.41677      0.678712  6.86145     8.86021     19.9351     188.86      
1 1 1 12 23 11 o 75.5249 3.15775 11.6453      1.23151   10.4494      1.22701   78.5579     206.981     20.6999     206.981     
1 1 1 12 23 12 o 41.4638 4.25134 5.12439      0.87913   2.16068      0.800426  47.4786     20.7627     23.1388     20.7627     
1 1 1 12 23 13 o 28.0627 4.8569  1.39622      0.717642  1.98582      0.697073  22.4881     233.225     2.14788     53.225      
1 1 1 12 23 14 o 58.4265 3.55486 6.37813      1.0974    7.1185       1.02465   61.6394     193.249     19.1369     193.249     
1 1 1 12 23 15 o 35.6827 4.90783 2.89488      0.821827  2.5519       0.922602  29.5256     350.299     2.71279     170.299     
1 1 1 12 23 16 o 36.0157 5.16205 1.4996       1.02993   4.32607      0.867736  28.625      205.585     5.07177     25.585      
1 1 1 12 23 17 o 27.5304 5.2616  1.48728      0.790681  1.89194      0.757965  20.7866     45.3933     4.21909     225.393     
1 1 1 12 23 18 o 18.5186 4.88132 0.958576     0.65928   0.245825     0.65039   10.8448     263.787     5.63293     83.7873     
1 1 1 12 23 19 o 23.6901 4.93697 0.661541     0.645877  1.81886      0.72674   22.0599     312.946     8.72806     312.946     
1 1 1 12 23 20 o 30.5137 4.84881 1.51248      0.714947  2.65379      0.799375  28.9287     355.797     7.0512      355.797     
1 1 1 12 23 21 o 47.1608 3.9249  5.01301      0.940217  4.1966       0.934027  44.6822     246.867     7.00706     246.867     
1 1 1 12 23 22 o 27.236  4.81888 2.23711      0.705602  1.13717      0.700367  20.1656     155.844     5.15165     335.844     
1 1 1 12 23 23 o 17.122  4.74534 0.746724     0.628471  0.262581     0.62485   6.53431     256.922     13.4739     76.9216     
1 1 1 12 23 24 o 37.917  4.31584 2.73908      0.806049  3.52381      0.824277  37.3705     185.397     10.0442     185.397     
1 1 1 12 23 25 o 18.2337 4.80605 0.919774     0.624965  0.462184     0.61594   12.2651     273.35      2.67501     93.3495     
1 1 1 12 23 26 o 15.6885 4.5135  -0.285245    0.605324  0.844772     0.648871  4.4559      248.816     15.267      68.8163     
1 1 1 12 23 27 o 22.0719 4.60832 -0.0272178   0.659939  2.18624      0.742839  13.7725     18.4978     8.07759     198.498     
1 1 1 12 23 28 o 20.7496 5.37538 1.94988      0.913713  0.0651515    0.77883   16.6286     312.671     3.05403     312.671     
1 1 1 12 23 29 o 21.9192 5.34933 0.471717     0.757106  2.01112      0.855783  17.4019     32.3514     2.14376     32.3513     
1 1 1 12 23 30 o 19.2132 5.22447 1.26419      0.728757  0.465778     0.829506  12.7378     246.792     1.7284      66.7923     
1 1 1 12 23 31 o 23.0323 4.98894 1.48349      0.550432  1.26161      0.829008  16.0642     15.1187     3.67794     195.119     
1 1 1 12 23 32 o 20.6792 4.51839 1.06709      0.551622  1.07239      0.515636  16.1178     290.346     2.03012     290.346     
1 1 1 12 23 33 o 44.237  3.46163 4.9063       0.768295  3.68203      0.771052  43.3142     104.102     12.8605     104.102     
1 1 1 12 23 34 o 12.381  3.88384 0.0898726    0.520502  0.104631     0.472672  3.18623     46.8588     4.02169     226.859     
1 1 1 12 23 35 o 12.951  3.96439 0.34753      0.511169  0.0493973    0.473847  1.71181     38.8358     1.02537     218.836     
1 1 1 12 23 36 o 16.3229 4.26747 0.18129      0.536474  1.00007      0.513733  7.7402      122.81      0.624438    302.81      
1 1 1 12 23 37 f 12.0227 3.82015 0.172151     0.513488  -0.070919    0.48252   4.67055     109.2       0           0           
1 1 1 12 23 38 o 9.93035 3.33898 -0.14962     0.484423  -0.506007    0.454156  0.152856    285.584     2.21977     105.584     
1 1 1 12 23 39 o 14.8683 4.58609 0.417537     0.674304  0.509719     0.658737  6.2897      112.24      0.00886394  112.241     
1 1 1 12 23 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 24 0  o 22.4441 8.99358 1.68947      1.61473   1.68947      1.61473   4.96515     6.34064e-06 30.7757     180         
1 1 1 12 24 1  o 24.4445 6.43018 2.60568      1.56112   0.426053     0.605336  21.8128     180.036     10.512      180.036     
1 1 1 12 24 2  o 17.2073 4.29834 0.905303     0.482425  -0.283647    0.677331  10.4586     51.1777     0.983435    231.178     
1 1 1 12 24 3  o 46.8055 3.77461 3.49179      0.872174  5.3304       0.888181  48.9585     205.32      15.4744     205.32      
1 1 1 12 24 4  o 35.0012 4.52643 3.34468      0.790878  1.84664      0.772168  25.3108     164.858     10.3494     344.858     
1 1 1 12 24 5  o 9.39421 3.13414 -0.576819    0.366579  -0.228043    0.425497  0.563073    122.842     4.97326     122.842     
1 1 1 12 24 6  o 35.1044 4.46535 2.19671      0.778471  2.95287      0.779344  35.3743     357.041     10.8479     357.041     
1 1 1 12 24 7  o 37.3337 4.33478 3.53114      0.83789   2.28549      0.768778  35.8047     205.649     7.11101     205.649     
1 1 1 12 24 8  o 35.5712 4.48447 2.14733      0.798766  3.17399      0.776885  29.7353     299.941     2.05658     119.941     
1 1 1 12 24 9  o 44.853  4.4316  5.12551      1.08956   3.30577      0.908026  39.9568     331.596     1.11781     331.596     
1 1 1 12 24 10 o 17.9381 4.85062 0.999481     0.695325  -0.110703    0.673233  11.4122     215.744     0.524055    215.744     
1 1 1 12 24 11 o 22.3543 5.03767 0.891631     0.65833   1.25938      0.668851  14.2769     32.5476     7.17321     212.548     
1 1 1 12 24 12 o 37.7904 4.55642 3.65941      0.859941  2.4145       0.841934  40.4326     282.442     16.5818     282.442     
1 1 1 12 24 13 o 34.9408 4.66758 3.22569      0.820141  2.03861      0.800268  29.6211     351.81      0.659586    171.81      
1 1 1 12 24 14 o 20.1939 4.87602 1.2669       0.660909  0.34763      0.647319  15.0623     341.216     0.576915    341.216     
1 1 1 12 24 15 o 16.1049 4.73359 -0.0760419   0.565804  0.666704     0.753631  8.66022     40.5579     3.22116     220.558     
1 1 1 12 24 16 o 13.7183 4.25654 -0.786218    0.694191  0.340652     0.580956  3.05295     341.882     0.317619    161.882     
1 1 1 12 24 17 o 27.9749 4.75296 2.51281      0.701955  1.00529      0.744647  23.7542     323.043     1.16896     323.043     
1 1 1 12 24 18 o 39.126  4.33949 3.39759      0.82221   3.14242      0.874763  36.5086     6.89374     5.76428     6.89375     
1 1 1 12 24 19 o 45.4511 3.94797 4.61066      0.911665  4.03639      0.905302  33.2563     27.971      12.6984     207.971     
1 1 1 12 24 20 o 33.8906 4.72538 3.33458      0.809036  1.88253      0.789317  29.8421     269.599     2.28153     269.599     
1 1 1 12 24 21 o 20.8736 4.55918 1.71444      0.656087  0.0670163    0.640996  16.6265     12.953      1.02382     12.953      
1 1 1 12 24 22 o 62.2651 3.7039  10.0368      1.23155   6.36693      1.10755   60.242      238.552     12.0887     238.552     
1 1 1 12 24 23 o 12.9179 4.08999 -0.739293    0.615897  0.318998     0.59191   0.329726    278.108     20.0303     278.108     
1 1 1 12 24 24 o 29.6325 5.09577 2.95355      0.823042  1.40993      0.795494  26.9289     307.02      5.25917     307.02      
1 1 1 12 24 25 o 23.4291 5.26331 1.24428      0.682117  1.55933      0.756347  18.6441     108.961     0.713761    108.961     
1 1 1 12 24 26 o 13.4695 4.25864 0.171329     0.595281  -0.129952    0.634241  5.04344     115.875     5.47384     295.875     
1 1 1 12 24 27 o 20.3197 5.48589 1.30654      0.834527  0.87554      0.781855  13.1579     146.299     3.64322     326.299     
1 1 1 12 24 28 o 29.7024 6.02956 2.87507      0.996934  2.245        0.972252  19.9772     129.051     8.28269     309.051     
1 1 1 12 24 29 o 13.9903 4.15799 0.883474     0.626053  -1.28473     0.63626   3.60243     317.124     0.234429    317.124     
1 1 1 12 24 30 o 20.6564 5.51789 1.34916      0.803351  1.11526      0.819848  16.3419     40.381      4.67479     40.381      
1 1 1 12 24 31 o 37.9081 5.54086 4.54275      1.05833   3.38658      1.04963   34.0205     288.379     6.12393     288.379     
1 1 1 12 24 32 o 14.5128 4.59083 0.325541     0.734009  0.181042     0.682495  5.6585      123.995     4.88853     303.995     
1 1 1 12 24 33 o 15.5373 4.91435 1.09437      0.887816  -0.843377    0.885283  6.4959      295.59      2.73346     115.59      
1 1 1 12 24 34 o 42.9295 3.98282 4.43673      0.879359  4.22113      0.850587  46.7004     210.749     24.6444     210.749     
1 1 1 12 24 35 o 11.4544 3.60512 0.365305     0.484106  -0.381803    0.409094  1.04758     263.263     2.64321     83.2625     
1 1 1 12 24 36 o 10.3296 3.42049 -0.253494    0.480247  -0.146572    0.439429  0.349971    58.2059     6.73045     238.206     
1 1 1 12 24 37 o 15.7561 4.41956 0.914352     0.578375  0.315884     0.525809  8.5018      96.7276     0.320651    276.728     
1 1 1 12 24 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 25 0  o 13.7647 6.13299 0.33591      0.924516  0.33591      0.924516  2.84437     180         0.807957    6.32911e-05 
1 1 1 12 25 1  o 17.6449 5.35347 -0.453193    0.871274  0.763538     0.954111  4.81189     284.304     1.9014      284.304     
1 1 1 12 25 2  o 14.3812 4.52609 -0.311899    0.897916  0.108052     0.48717   3.16914     247.779     13.5039     67.7789     
1 1 1 12 25 3  o 17.73   4.29726 0.935205     0.49721   0.17463      0.541285  8.05814     114.223     10.841      294.223     
1 1 1 12 25 4  o 35.4187 4.31549 2.67876      0.729068  2.56764      0.795103  33.887      222.294     7.4754      222.294     
1 1 1 12 25 5  o 17.3629 4.58393 0.485188     0.531497  0.616721     0.577127  10.3029     282.507     3.30546     102.507     
1 1 1 12 25 6  o 14.1903 4.10649 0.496404     0.496706  -0.306898    0.548166  3.57445     4.95532     12.4724     184.955     
1 1 1 12 25 7  o 19.742  4.85503 0.733923     0.585798  0.882287     0.631515  14.5351     102.2       0.659393    102.2       
1 1 1 12 25 8  o 42.9974 4.21256 4.48059      0.921667  3.25654      0.88765   37.9027     344.945     1.10607     344.945     
1 1 1 12 25 9  o 14.5311 4.34356 0.238107     0.546039  0.0977528    0.583797  2.92617     71.9474     15.2385     251.947     
1 1 1 12 25 10 o 27.8692 5.3255  1.22502      0.772188  2.38495      0.8515    24.4433     70.7007     3.34841     70.7007     
1 1 1 12 25 11 o 47.5995 4.31711 4.73909      0.912201  4.81516      1.14637   56.2985     262.937     30.8072     262.937     
1 1 1 12 25 12 o 46.2437 3.93059 4.11698      0.88897   4.75203      0.957593  50.4112     143.507     21.0219     143.507     
1 1 1 12 25 13 o 23.0113 5.13476 1.15967      0.660165  1.26712      0.709311  10.2257     55.8035     17.5228     235.803     
1 1 1 12 25 14 f 23.1707 5.09928 1.67549      0.700244  0.748916     0.738927  14.3323     240.934     0           0           
1 1 1 12 25 15 o 10.8969 3.70414 -0.555874    0.468822  -0.625718    0.71025   1.48558     349.332     2.20395     169.332     
1 1 1 12 25 16 o 21.8465 4.85509 -0.0474683   0.868511  1.79006      0.676706  16.5094     341.184     1.36357     161.183     
1 1 1 12 25 17 o 11.0675 3.69063 -0.410395    0.561022  -0.450825    0.539951  2.30732     115.829     7.00756     295.829     
1 1 1 12 25 18 o 22.1419 4.97885 0.648442     0.704608  1.61935      0.675633  20.9551     356.625     9.85004     356.625     
1 1 1 12 25 19 o 15.2916 4.5267  0.168022     0.565748  0.477757     0.641121  7.18276     106.439     2.66884     106.439     
1 1 1 12 25 20 o 20.5689 5.14571 0.891945     0.693702  1.14342      0.684909  17.1404     205.946     4.15563     205.946     
1 1 1 12 25 21 o 14.4779 4.35265 -0.460688    0.563887  0.703967     0.65808   7.50201     176.341     1.88742     356.341     
1 1 1 12 25 22 o 44.1874 4.23145 4.68914      0.94264   4.05388      0.93967   44.3408     142.542     14.0784     142.542     
1 1 1 12 25 23 o 17.5593 4.66107 1.22424      0.654872  -0.118451    0.657573  10.1156     296.914     4.32102     296.914     
1 1 1 12 25 24 o 42.538  4.58744 5.52693      0.971973  3.0692       0.921733  41.1481     83.531      11.2837     83.531      
1 1 1 12 25 25 o 12.5153 4.05717 -0.270277    0.597174  0.0346116    0.600705  2.77297     308.51      1.82653     128.51      
1 1 1 12 25 26 o 13.5862 4.31093 0.0844731    0.616643  0.0819721    0.64378   5.16338     121.357     3.96943     301.357     
1 1 1 12 25 27 o 15.2514 4.70325 0.92204      0.812523  -0.29557     0.618674  7.24668     169.694     4.86191     349.694     
1 1 1 12 25 28 o 9.44575 3.35189 -1.32003     0.541177  -1.11503     0.764978  0.135028    35.8246     1.89874     215.825     
1 1 1 12 25 29 o 20.7913 5.58775 0.969353     0.816424  1.67988      0.873525  15.5302     337.371     3.10734     337.371     
1 1 1 12 25 30 o 18.0772 5.30417 1.16824      0.848923  0.607682     0.797925  10.6889     335.458     0.907768    335.458     
1 1 1 12 25 31 o 27.0728 5.76741 1.50131      0.898007  3.17404      0.972846  23.3358     84.3477     7.02773     84.3477     
1 1 1 12 25 32 o 16.5066 5.07462 0.599409     0.771851  0.660231     0.847354  7.79144     315.616     1.53417     135.616     
1 1 1 12 25 33 o 17.3226 5.311   0.895882     0.886133  0.76128      0.878046  7.27388     357.371     2.12685     357.371     
1 1 1 12 25 34 o 14.6808 4.61843 0.879932     0.758737  -0.382942    0.736769  3.60755     172.098     12.1869     352.098     
1 1 1 12 25 35 o 17.1529 4.92952 -0.0262713   0.743506  1.47437      0.774393  6.17842     23.0912     2.89213     23.0912     
1 1 1 12 25 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 26 0  o 15.318  6.61938 0.632644     0.998197  0.632644     0.998197  8.95233     180         6.15735     8.65137e-06 
1 1 1 12 26 1  o 16.5437 5.25407 0.158834     0.970195  -0.124454    0.906698  9.16881     117.511     4.17633     297.512     
1 1 1 12 26 2  o 19.4992 5.84366 0.54944      1.02644   0.631158     1.02068   9.21052     96.2796     11.9098     276.28      
1 1 1 12 26 3  o 10.7221 3.83126 -0.159914    0.885682  -0.742826    0.277574  1.25142     59.722      7.4532      239.722     
1 1 1 12 26 4  o 40.9871 4.04197 4.10339      0.807534  2.97893      0.833129  37.669      243.55      4.90965     243.55      
1 1 1 12 26 5  o 11.7282 3.74169 -0.114438    0.462056  -0.147302    0.502123  1.08306     328.235     0.636155    148.235     
1 1 1 12 26 6  o 32.4802 4.55401 2.73809      0.742815  1.92168      0.734691  34.3815     63.0696     15.1435     63.0696     
1 1 1 12 26 7  o 36.6339 4.32046 2.9216       0.785691  2.86393      0.797163  33.2205     58.882      4.13644     58.882      
1 1 1 12 26 8  o 26.0749 4.9065  2.0809       0.703212  1.06411      0.702346  13.3823     254.848     16.7993     74.8485     
1 1 1 12 26 9  o 30.4804 4.76817 1.8412       0.721748  2.36764      0.748253  34.4278     134.07      20.3794     134.07      
1 1 1 12 26 10 o 46.2717 4.97395 4.14594      1.23534   5.49874      0.962942  43.1827     267.695     6.8923      267.695     
1 1 1 12 26 11 o 25.3349 5.79127 1.80093      0.84367   1.43429      0.91113   21.9266     144.196     3.74595     144.196     
1 1 1 12 26 12 o 15.5877 4.68351 0.466718     0.674478  0.0742952    0.658795  7.19546     6.93292     8.13484     186.933     
1 1 1 12 26 13 f 28.7021 5.31059 2.07315      0.75833   1.94566      0.845138  24.1279     83.0319     0           0           
1 1 1 12 26 14 o 17.9965 4.90785 0.691176     0.628821  0.67117      0.667555  10.5837     91.3051     6.07371     271.305     
1 1 1 12 26 15 o 39.9194 5.15329 3.38105      0.883919  4.23714      1.16831   29.3433     357.8       9.20589     177.8       
1 1 1 12 26 16 o 16.1251 4.57389 -0.574988    0.726693  0.950884     0.64157   10.3172     176.925     1.26832     176.925     
1 1 1 12 26 17 o 14.7131 4.40727 0.579089     0.61755   -0.159334    0.59256   6.9781      51.7091     0.702179    51.7091     
1 1 1 12 26 18 o 16.5195 4.54143 1.04441      0.634898  -0.237819    0.627706  9.78127     334.848     2.76714     334.848     
1 1 1 12 26 19 o 13.655  4.13703 -0.846987    0.58646   0.669181     0.604645  5.10201     147.884     1.55422     327.884     
1 1 1 12 26 20 o 16.1551 4.64378 0.0150774    0.600378  0.898179     0.673326  8.88222     192.2       1.60798     12.2002     
1 1 1 12 26 21 o 14.4266 4.47778 0.0133152    0.631679  0.374139     0.662714  5.34953     51.8283     0.381784    231.828     
1 1 1 12 26 22 o 16.6925 4.82842 0.381723     0.648661  0.790883     0.68947   4.94988     356.093     2.10454     356.093     
1 1 1 12 26 23 o 11.6792 3.88536 -0.718857    0.610569  -0.0191385   0.617508  2.51523     193.576     5.05134     13.5756     
1 1 1 12 26 24 o 10.4056 3.55352 -0.888236    0.580806  -0.354601    0.583586  0.810806    39.0122     2.32336     219.012     
1 1 1 12 26 25 o 9.05707 3.15885 -1.82167     0.533973  -0.309568    0.53446   1.66981     115.799     11.499      115.799     
1 1 1 12 26 26 f 16.8487 4.82286 1.13378      0.703554  0.0574007    0.705474  7.02626     327.844     0           0           
1 1 1 12 26 27 o 12.731  4.20548 -0.54361     0.711642  0.127146     0.687116  1.60778     348.634     1.44038     168.634     
1 1 1 12 26 28 o 17.3583 5.27621 0.00925425   0.742896  1.53802      0.997387  7.19933     21.5538     1.36514     21.5538     
1 1 1 12 26 29 o 15.6574 4.83226 -0.174625    0.763727  0.937885     0.78739   6.35178     197.485     4.73962     17.4852     
1 1 1 12 26 30 o 13.7234 4.46674 -0.00463838  0.73372   0.16595      0.732642  3.15625     108.919     9.628       288.919     
1 1 1 12 26 31 o 18      5.20487 1.57997      0.844408  0.162177     0.827047  10.3417     224.314     2.45218     44.3138     
1 1 1 12 26 32 o 22.3385 5.84257 1.88804      0.854269  1.67856      0.967145  17.7852     156.495     5.5023      156.495     
1 1 1 12 26 33 o 12.0517 4.09085 -0.894923    0.838022  -0.0627971   0.69294   1.82268     80.863      1.00543     260.863     
1 1 1 12 26 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 27 0  o 12.3273 5.74173 0.11298      0.936942  0.11298      0.936942  5.44463     180         3.479       360         
1 1 1 12 27 1  f 21.5412 6.14804 1.41574      1.06685   0.833227     1.07611   23.5711     209.702     0           0           
1 1 1 12 27 2  o 23.1707 6.43535 1.11166      1.20486   1.73264      1.10297   15.8679     214.843     4.68796     34.8429     
1 1 1 12 27 3  o 25.1667 7.00629 2.1028       1.57219   1.7504       1.14218   17.0973     210.385     5.90921     30.3848     
1 1 1 12 27 4  o 19.0751 5.56062 0.059838     1.29254   0.965164     0.717691  12.4521     164.994     7.11791     164.994     
1 1 1 12 27 5  o 25.9054 4.60863 2.33629      0.660321  0.809888     0.697505  24.4496     237.453     7.59045     237.453     
1 1 1 12 27 6  o 21.1767 4.89235 1.41724      0.641011  0.676562     0.654369  18.7875     294.5       6.59718     294.5       
1 1 1 12 27 7  o 19.2358 4.95824 1.01899      0.64251   0.657274     0.658885  15.5523     193.449     4.5402      193.449     
1 1 1 12 27 8  o 8.69034 3.04129 -1.14673     0.427917  -0.601585    0.530843  0.155522    131.005     5.40293     131.005     
1 1 1 12 27 9  o 21.4767 5.1827  0.735853     0.675336  1.52824      0.748651  18.8236     350.632     6.9541      350.632     
1 1 1 12 27 10 o 19.2207 4.25702 1.79855      0.67019   -0.802028    0.654653  15.2575     68.1476     3.14833     68.1476     
1 1 1 12 27 11 o 32.5684 5.57606 3.52735      0.950441  1.98131      0.977405  20.6168     54.7129     12.9322     234.713     
1 1 1 12 27 12 o 24.6475 5.03054 0.856273     0.728673  2.18402      0.741991  23.394      195.538     10.0212     195.538     
1 1 1 12 27 13 o 16.7438 4.7632  0.914415     0.663444  0.0336039    0.684437  7.79362     107.645     8.37244     287.645     
1 1 1 12 27 14 o 23.4463 4.74562 2.33259      0.745264  0.363024     0.686551  17.6834     228.424     0.905013    48.4235     
1 1 1 12 27 15 o 15.9866 4.79949 0.646029     0.654936  0.0419386    0.790979  7.03809     105.124     7.46037     285.124     
1 1 1 12 27 16 o 12.6247 4.15331 -1.20182     0.695796  0.268455     0.699961  3.42009     188.609     5.62535     8.6092      
1 1 1 12 27 17 o 34.7676 4.90396 2.33265      0.841794  3.67972      0.86289   35.141      263.233     14.3054     263.233     
1 1 1 12 27 18 o 19.5751 5.1001  1.04144      0.678074  0.947166     0.686894  12.1927     213.288     4.15684     33.2877     
1 1 1 12 27 19 o 14.3077 4.38182 0.636769     0.634873  -0.383524    0.646485  5.70812     173.12      6.33687     353.12      
1 1 1 12 27 20 o 18.5648 5.04142 0.548052     0.69631   1.19155      0.706742  12.7779     297.761     0.676909    297.761     
1 1 1 12 27 21 o 25.7754 5.33744 2.12539      0.758208  1.58256      0.785636  25.407      38.4082     15.1559     38.4082     
1 1 1 12 27 22 o 26.5217 5.54128 2.34118      0.81951   1.75524      0.836335  17.9073     163.69      5.61414     343.69      
1 1 1 12 27 23 o 12.6824 4.15736 -0.0644686   0.663166  -0.135423    0.638428  2.47551     180.848     8.47079     0.847653    
1 1 1 12 27 24 f 18.4009 5.08318 0.891634     0.695079  0.962074     0.708589  3.97945     243.538     0           0           
1 1 1 12 27 25 o 13.2575 4.30228 0.205494     0.668619  -0.210236    0.689778  2.68231     319.404     3.80179     139.404     
1 1 1 12 27 26 o 20.2831 5.51944 1.36702      0.789597  1.16721      0.861054  11.5939     294.961     5.03843     114.961     
1 1 1 12 27 27 o 16.4998 5.30974 0.74573      0.973408  0.358311     1.03518   7.74948     218.317     0.748205    38.3167     
1 1 1 12 27 28 o 16.7217 5.25669 0.46835      0.771701  1.0219       1.0431    8.20061     2.75578     4.18259     182.756     
1 1 1 12 27 29 o 14.2905 4.65855 0.219938     0.837832  0.198023     0.764193  4.95287     188.096     7.0782      8.09563     
1 1 1 12 27 30 o 10.0851 3.50957 -0.335245    0.665784  -1.30088     0.590478  0.553326    218.62      6.87806     38.6201     
1 1 1 12 27 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 28 0  o 44.3497 7.79464 5.21369      1.55062   5.21369      1.55062   37.2125     6.38801e-06 1.97217     180         
1 1 1 12 28 1  o 25.8302 6.58583 1.0302       1.11906   3.16774      1.28869   24.1155     316.433     11.8112     316.433     
1 1 1 12 28 2  o 20.2626 5.94476 0.0734922    1.10007   1.75363      1.09889   10.6148     25.6549     9.17617     205.655     
1 1 1 12 28 3  o 19.2844 5.985   1.01506      1.23989   0.630968     1.05327   12.2574     311.135     2.07704     131.135     
1 1 1 12 28 4  o 16.2774 5.24217 -1.13043     1.13707   0.780851     0.983824  7.32837     106.259     1.45417     106.259     
1 1 1 12 28 5  o 18.8034 5.04841 -1.12891     1.37174   1.27602      0.627391  12.2996     36.8592     1.41445     216.859     
1 1 1 12 28 6  f 18.8147 5.00465 1.0428       0.641198  0.603953     0.725947  14.9396     292.729     0           0           
1 1 1 12 28 7  o 16.3244 4.7521  0.416187     0.620556  0.601901     0.675715  9.06211     56.8479     0.608016    236.848     
1 1 1 12 28 8  o 16.8839 4.55394 -0.431095    0.648326  1.24487      0.667667  10.1478     145.366     1.60691     145.366     
1 1 1 12 28 9  o 33.8844 4.97149 2.65836      0.823926  2.99822      0.865762  34.5723     149.665     15.0384     149.665     
1 1 1 12 28 10 o 12.1452 3.91411 0.227859     0.555714  -0.72801     0.600821  2.10419     204.39      1.7306      24.3903     
1 1 1 12 28 11 o 15.5442 4.83166 0.472119     0.742011  0.132909     0.773794  7.64091     110.511     3.49066     290.511     
1 1 1 12 28 12 o 19.2983 4.49982 -0.79721     0.639534  2.07046      0.773346  5.80074     319.339     3.74589     319.339     
1 1 1 12 28 13 o 19.7209 5.18816 0.908965     0.693357  1.14854      0.726569  14.5807     18.7531     2.57019     18.7532     
1 1 1 12 28 14 f 13.5006 4.223   0.58113      0.638257  -0.731431    0.631543  4.95733     61.0619     0           0           
1 1 1 12 28 15 o 22.9549 5.73574 1.53162      0.798322  1.62328      0.908273  12.7974     346.429     9.87749     166.429     
1 1 1 12 28 16 o 19.4701 5.24231 1.86042      0.860247  -0.124859    0.84967   9.888       157.18      9.09141     337.18      
1 1 1 12 28 17 o 17.9591 4.98601 1.25011      0.719071  0.294076     0.723495  10.4516     70.0251     3.43501     250.025     
1 1 1 12 28 18 o 11.3158 3.80804 -0.541654    0.588277  -0.230772    0.634132  1.17524     295.988     2.99404     115.988     
1 1 1 12 28 19 o 12.5994 4.12872 -0.166704    0.642646  -0.0462872   0.640776  1.88465     123.098     9.90531     303.098     
1 1 1 12 28 20 o 15.3313 4.57111 -0.176429    0.671463  0.882336     0.664315  4.76626     71.1879     0.271138    251.188     
1 1 1 12 28 21 o 11.6003 3.89204 -0.143364    0.634784  -0.55858     0.632536  0.822598    31.7566     4.09607     211.757     
1 1 1 12 28 22 o 22.4024 5.38745 1.97194      0.788453  1.01656      0.785062  16.98       320.545     8.38085     320.545     
1 1 1 12 28 23 o 12.5657 4.15927 -0.120825    0.668762  -0.166972    0.686067  2.08236     304.582     2.8612      124.582     
1 1 1 12 28 24 o 14.3675 4.55817 -0.208831    0.677522  0.665634     0.755884  3.68955     10.9575     0.539264    190.958     
1 1 1 12 28 25 o 15.6417 4.83907 -0.0891545   0.769061  0.994052     0.790106  6.61594     64.5627     6.13433     244.563     
1 1 1 12 28 26 o 14.9028 4.86137 0.346593     0.964722  0.258782     0.784108  5.29539     2.94927     8.15461     182.949     
1 1 1 12 28 27 o 13.4636 4.58037 0.256956     0.944026  -1.08109     0.977576  4.76487     162.366     4.87108     342.366     
1 1 1 12 28 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 29 0  o 6.95687 3.59572 -1.65902     0.799369  -1.65902     0.799369  0.692334    360         2.45718     360         
1 1 1 12 29 1  o 16.4673 5.3478  0.190305     1.05702   0.361241     1.02873   9.09083     222.282     0.529715    42.2817     
1 1 1 12 29 2  o 17.4397 5.63414 0.977838     1.23164   0.0232152    1.02934   10.075      245.583     2.29569     245.583     
1 1 1 12 29 3  o 19.4975 6.00745 1.64316      1.23978   0.451076     1.05222   9.28217     228.299     10.1254     48.2994     
1 1 1 12 29 4  o 12.5222 4.37667 -1.02656     1.09474   -1.4497      0.959402  2.55822     320.507     1.52556     140.507     
1 1 1 12 29 5  o 25.1773 6.78385 2.85148      1.28596   1.78475      1.20776   19.9819     229.269     2.54793     229.269     
1 1 1 12 29 6  o 12.9168 4.39795 0.243214     1.02675   -0.547753    0.497195  2.07398     55.7834     12.4101     235.783     
1 1 1 12 29 7  o 17.409  4.8511  0.959144     0.64541   0.439596     0.68107   11.2305     311.599     0.704219    311.599     
1 1 1 12 29 8  f 16.5035 4.79516 0.391939     0.657266  0.781088     0.672545  8.71332     99.4361     0           0           
1 1 1 12 29 9  o 13.5483 4.3132  0.479868     0.679344  -0.489337    0.64172   4.49169     40.5559     6.46508     220.556     
1 1 1 12 29 10 o 18.6278 5.21716 1.06028      0.76548   0.805113     0.734008  9.30421     131.316     8.05487     311.316     
1 1 1 12 29 11 o 26.3882 5.35043 2.67044      0.840735  1.32028      0.782293  25.4417     135.743     14.0957     135.743     
1 1 1 12 29 12 o 16.462  5.04091 0.164972     0.794281  0.888324     0.820841  6.44867     106.781     9.09531     286.781     
1 1 1 12 29 13 o 23.6809 5.5462  2.13748      0.831858  1.21138      0.817932  16.634      118.548     1.613       298.548     
1 1 1 12 29 14 o 16.8566 4.91815 0.266565     0.699329  1.02573      0.734719  7.80254     231.882     5.58142     51.8821     
1 1 1 12 29 15 o 16.1404 4.81081 1.03207      0.734007  -0.127231    0.744102  7.03823     146.362     3.7996      326.362     
1 1 1 12 29 16 o 17.8692 5.38131 1.37608      0.948656  0.268238     0.843397  8.79354     136.832     4.56779     316.832     
1 1 1 12 29 17 o 17.0401 5.29199 0.523361     0.95439   0.793491     0.861901  5.18918     335.834     1.16147     335.834     
1 1 1 12 29 18 o 19.3821 5.47785 0.998697     0.800299  1.28062      0.864529  9.45223     206.822     8.0837      26.8215     
1 1 1 12 29 19 o 15.0931 4.72805 -0.0911313   0.67691   0.818476     0.805539  5.8275      272.857     1.69705     92.8567     
1 1 1 12 29 20 o 20.8498 5.30165 1.96789      0.79126   0.580487     0.863052  14.9721     219.683     2.27562     219.683     
1 1 1 12 29 21 o 15.9529 4.92429 0.672669     0.744684  0.491906     0.800955  2.54699     205.287     0.782009    205.287     
1 1 1 12 29 22 o 14.1831 4.5888  0.10883      0.711178  0.32422      0.79975   4.63522     248.261     7.88946     68.2607     
1 1 1 12 29 23 o 16.3923 5.05047 0.965131     0.800026  0.288192     0.858653  8.62327     329.744     1.84796     329.744     
1 1 1 12 29 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 29 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 30 0  o 13.9162 6.53443 0.505909     1.25358   0.505909     1.25358   4.74435     0           5.50571     180         
1 1 1 12 30 1  o 19.0986 6.15837 1.16176      1.28599   1.05195      1.42292   11.0684     247.514     0.684405    247.514     
1 1 1 12 30 2  o 15.7403 5.30684 0.060016     1.15435   -0.0905868   1.25218   6.23162     127.646     3.59235     307.646     
1 1 1 12 30 3  o 17.781  5.74915 0.535016     1.06034   0.980905     1.30272   9.15807     263.497     0.985946    83.4974     
1 1 1 12 30 4  o 20.3998 6.29818 1.43812      1.18973   1.53316      1.3319    9.85449     271.065     8.9119      91.0654     
1 1 1 12 30 5  o 17.9683 5.55745 -0.561304    1.05981   1.7508       1.09282   7.40465     262.071     1.89843     262.071     
1 1 1 12 30 6  o 19.6147 5.96784 1.89057      1.14939   0.441481     1.14042   11.01       205.846     3.30868     25.8464     
1 1 1 12 30 7  o 12.9428 4.16249 0.310721     0.654017  -0.283656    0.57554   2.25562     62.0505     4.18643     242.051     
1 1 1 12 30 8  o 11.4635 3.84034 -0.193171    0.59909   -0.491212    0.626077  0.731687    108.283     4.53507     288.283     
1 1 1 12 30 9  o 13.2583 4.33045 -0.0985022   0.701737  0.0314019    0.693537  2.60379     324.954     7.94887     144.954     
1 1 1 12 30 10 o 18.5601 5.14039 1.43559      0.775683  0.369125     0.751121  10.5708     148.422     2.0687      328.422     
1 1 1 12 30 11 o 10.818  3.7121  -0.736015    0.639167  -0.535804    0.661745  0.320594    130.548     2.51747     310.548     
1 1 1 12 30 12 o 17.985  5.40779 1.02759      0.874093  0.766943     0.896206  8.18239     150.42      7.60823     330.42      
1 1 1 12 30 13 o 18.7003 5.3064  1.2159       0.788536  0.821809     0.795447  10.5837     62.9303     3.26634     242.93      
1 1 1 12 30 14 f 21.6851 5.25546 2.39999      0.861651  0.358168     0.804001  15.7667     192.068     0           0           
1 1 1 12 30 15 o 14.1817 4.45124 -0.740157    0.672666  0.896674     0.741146  5.18304     16.5586     3.20724     196.559     
1 1 1 12 30 16 o 31.5767 5.52403 4.59595      1.00711   1.77021      1.08077   22.9932     199.504     3.02514     19.5045     
1 1 1 12 30 17 o 15.6044 4.80123 -0.415869    0.854439  1.04065      0.757919  7.51757     350.488     3.07251     170.488     
1 1 1 12 30 18 o 11.1644 3.81585 -0.252399    0.657991  -0.902778    0.70285   1.16907     148.847     1.67096     328.847     
1 1 1 12 30 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 30 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 31 0  o 13.3947 6.31865 0.465387     1.19532   0.465387     1.19532   2.58665     180         1.11284     360         
1 1 1 12 31 1  o 15.7283 5.26774 0.893677     1.20009   -0.62936     1.10242   6.48817     250.97      5.15181     70.9699     
1 1 1 12 31 2  o 17.8876 5.81389 0.702664     1.24927   1.11286      1.22821   7.12737     55.9011     2.43679     55.9011     
1 1 1 12 31 3  o 15.704  5.23237 -1.05798     1.08945   1.15041      1.17371   6.70948     278.795     1.24127     98.7951     
1 1 1 12 31 4  o 16.5007 5.44959 -0.440272    1.17328   1.18259      1.18958   5.01458     301.172     1.21353     301.172     
1 1 1 12 31 5  o 11.6432 4.1105  -0.860521    0.99405   -2.25892     1.04302   0.260322    91.0648     13.7567     91.0648     
1 1 1 12 31 6  o 16.2673 5.34105 1.12644      1.09231   -0.542621    1.18194   3.61774     230.022     15.1475     50.0216     
1 1 1 12 31 7  o 18.365  5.98034 0.509552     1.19672   1.82046      1.41888   9.90767     222.729     3.82452     42.7289     
1 1 1 12 31 8  o 19.6696 5.25734 1.88305      0.833154  0.441168     0.757455  13.8521     271.311     3.51888     271.311     
1 1 1 12 31 9  o 13.712  4.44679 0.247978     0.687436  -0.034486    0.758353  4.50746     330.04      6.20408     150.04      
1 1 1 12 31 10 o 12.2641 4.11037 -1.40094     0.69475   0.418855     0.754819  2.14443     307.498     9.4047      127.498     
1 1 1 12 31 11 o 15.2013 4.84818 0.576567     0.799048  0.166729     0.833664  6.48094     251.282     5.66619     71.2816     
1 1 1 12 31 12 o 22.3268 5.73551 2.08082      0.870639  1.28243      0.91818   18.1962     283.393     6.79021     283.393     
1 1 1 12 31 13 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 31 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 32 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 32 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 32 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 12 32 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 0  1  o 222.45  2.27037 90.7968      2.61671   90.7968      2.61671   222.997     270         30.4931     90          
1 1 1 13 0  2  o 49.5636 2.86643 4.59581      0.724726  4.59581      0.724726  0.658167    180         24.0084     180         
1 1 1 13 0  3  o 101.187 2.31278 18.8346      1.2102    18.8346      1.2102    13.3669     89.9997     9.182       89.9997     
1 1 1 13 0  4  o 207.87  2.25422 79.2928      2.42766   79.2928      2.42766   217.275     2.77692e-06 10.2673     180         
1 1 1 13 0  5  o 82.1547 2.43978 12.4437      1.03482   12.4437      1.03482   38.5407     270         94.7874     90          
1 1 1 13 0  6  o 100.402 2.69147 18.5707      1.39618   18.5707      1.39618   117.586     180         29.8571     180         
1 1 1 13 0  7  o 36.8931 4.02149 2.67039      0.714756  2.67039      0.714756  61.502      90          184.425     90          
1 1 1 13 0  8  o 28.6522 5.23719 1.77903      0.672161  1.77903      0.672161  2.04654     0.00018044  5.66778     0.00018044  
1 1 1 13 0  9  o 219.721 2.623   88.6403      2.98553   88.6403      2.98553   202.012     90          64.1492     270         
1 1 1 13 0  10 o 57.2219 2.91089 6.10099      0.85294   6.10099      0.85294   14.1429     2.68034e-07 1.53521     2.68033e-07 
1 1 1 13 0  11 o 178.407 2.60574 58.4695      2.40743   58.4695      2.40743   224.864     90          70.5852     90          
1 1 1 13 0  12 o 58.429  3.11451 6.37248      0.930676  6.37248      0.930676  5.18565     1.80044e-06 112.999     180         
1 1 1 13 0  13 o 82.4161 2.82595 12.553       1.20078   12.553       1.20078   85.9677     90          2.4552      270         
1 1 1 13 0  14 o 61.1536 3.03425 6.9658       0.950767  6.9658       0.950767  9.97758     3.61184e-06 109.223     180         
1 1 1 13 0  15 o 7.56493 3.65444 -0.281146    0.448663  -0.281146    0.448663  5.04105     270         10.4183     270         
1 1 1 13 0  16 o 138.083 2.26017 35.0362      1.61579   35.0362      1.61579   178.278     180         65.7018     180         
1 1 1 13 0  17 o 41.174  3.14069 3.22013      0.650605  3.22013      0.650605  2.13016     90          76.9113     270         
1 1 1 13 0  18 o 155.359 2.27585 44.3425      1.831     44.3425      1.831     150.11      180         25.5633     360         
1 1 1 13 0  19 o 189.575 2.29445 66.0024      2.25322   66.0024      2.25322   267.376     90          138.184     90          
1 1 1 13 0  20 o 18.7876 5.45671 0.909869     0.52497   0.909869     0.52497   27.6768     180         73.0918     180         
1 1 1 13 0  21 o 99.0701 2.39377 18.0757      1.22604   18.0757      1.22604   107.967     270         9.78152     270         
1 1 1 13 0  22 o 8.38806 3.97363 -0.181534    0.481607  -0.181534    0.481607  39.8372     8.65217e-06 83.9393     8.65217e-06 
1 1 1 13 0  23 o 89.6481 2.46218 14.8193      1.14024   14.8193      1.14024   128.753     90          72.2217     90          
1 1 1 13 0  24 o 35.3848 3.82199 2.45797      0.652543  2.45797      0.652543  15.6119     360         1.59916     180         
1 1 1 13 0  25 o 60.2145 2.80053 6.74691      0.865321  6.74691      0.865321  53.6997     90          16.0652     270         
1 1 1 13 0  26 f 62.506  2.75492 7.26165      0.88457   7.26165      0.88457   96.8359     180         0           0           
1 1 1 13 0  27 o 8.95518 4.20362 -0.140725    0.518087  -0.140725    0.518087  20.585      270         44.0687     270         
1 1 1 13 0  28 o 26.5323 4.95481 1.54167      0.588741  1.54167      0.588741  1.07894     1.18514e-05 6.12871     180         
1 1 1 13 0  29 o 50.6808 3.03724 4.82957      0.784218  4.82957      0.784218  56.0887     90          11.5915     90          
1 1 1 13 0  30 o 60.6389 3.26247 6.89745      1.01149   6.89745      1.01149   91.8451     180         64.0677     180         
1 1 1 13 0  31 o 18.9319 6.11573 0.976019     0.652802  0.976019     0.652802  3.15765     270         13.9317     90          
1 1 1 13 0  32 o 59.9277 2.7364  6.70398      0.841801  6.70398      0.841801  66.2744     1.00403e-06 12.5379     1.00403e-06 
1 1 1 13 0  33 o 43.1227 3.22434 3.55323      0.700515  3.55323      0.700515  54.3574     90          23.3915     90          
1 1 1 13 0  34 o 13.1693 5.14177 0.456742     0.511198  0.456742     0.511198  3.59724     8.65059e-06 15.4343     8.65059e-06 
1 1 1 13 0  35 o 48.521  3.53762 4.51639      0.866208  4.51639      0.866208  36.7359     90          22.42       270         
1 1 1 13 0  36 o 37.0867 4.65087 2.81383      0.810245  2.81383      0.810245  48.2833     180         24.5258     180         
1 1 1 13 0  37 o 59.6105 3.01883 6.71259      0.9216    6.71259      0.9216    61.6716     90          6.64559     90          
1 1 1 13 0  38 o 72.6    3.17202 9.95851      1.18316   9.95851      1.18316   87.0138     5.66094e-06 32.6006     5.66094e-06 
1 1 1 13 0  39 o 57.2634 3.12801 6.23697      0.915407  6.23697      0.915407  52.2221     270         6.54329     90          
1 1 1 13 0  40 o 10.3559 4.71415 0.0512539    0.582344  0.0512539    0.582344  0.285032    2.11554e-06 8.80998     180         
1 1 1 13 0  41 f 7.0531  3.5247  -0.602898    0.523261  -0.602898    0.523261  25.5615     90          0           0           
1 1 1 13 0  42 o 33.0098 5.09124 2.37435      0.763149  2.37435      0.763149  33.5929     180         4.2241      180         
1 1 1 13 0  43 o 18.6668 6.54893 1.06436      0.764697  1.06436      0.764697  15.8373     90          6.66331     90          
1 1 1 13 0  44 o 25.4537 5.97952 1.63958      0.702013  1.63958      0.702013  18.5062     180         10.9647     8.65139e-06 
1 1 1 13 0  45 o 10.1375 4.58777 0.0999346    0.541408  0.0999346    0.541408  0.365434    90.0001     1.4562      270         
1 1 1 13 0  46 o 13.7114 5.40073 0.562615     0.569756  0.562615     0.569756  5.65109     360         0.73326     360         
1 1 1 13 0  47 o 11.9617 5.07811 0.369423     0.565966  0.369423     0.565966  0.741129    90          19.3321     270         
1 1 1 13 0  48 o 7.57782 3.73442 -0.397195    0.528999  -0.397195    0.528999  0.103131    180         1.06049     180         
1 1 1 13 0  49 o 9.97036 4.57823 0.0939926    0.565417  0.0939926    0.565417  2.20682     270         4.62552     89.9999     
1 1 1 13 0  50 o 23.1219 6.5827  1.64161      0.768363  1.64161      0.768363  23.12       4.94825e-06 4.60398     4.94826e-06 
1 1 1 13 0  51 o 16.3934 6.26778 0.986028     0.743215  0.986028     0.743215  8.62982     270         11.3684     90          
1 1 1 13 0  52 o 13.6239 5.5991  0.651387     0.649481  0.651387     0.649481  1.84182     180         0.389997    180         
1 1 1 13 0  53 f 9.51892 4.49398 0.0210996    0.606762  0.0210996    0.606762  13.668      270         0           0           
1 1 1 13 0  54 o 11.97   5.38014 0.422021     0.729384  0.422021     0.729384  1.68509     2.52068e-06 13.1909     180         
1 1 1 13 0  55 o 11.0809 5.09469 0.275807     0.70329   0.275807     0.70329   0.816552    270         1.90853     90          
1 1 1 13 0  56 o 15.7451 6.30231 1.06233      0.791766  1.06233      0.791766  10.3882     180         3.06498     8.65093e-06 
1 1 1 13 0  57 f 6.78317 3.44195 -0.704852    0.575596  -0.704852    0.575596  4.8965      270         0           0           
1 1 1 13 1  0  o 58.6421 2.66024 6.38481      0.800921  6.38481      0.800921  12.1092     90          51.7351     270         
1 1 1 13 1  1  o 211.687 2.25335 82.5795      2.47269   81.8589      2.47247   243.772     261.957     49.1262     261.957     
1 1 1 13 1  2  o 160.721 2.23211 45.8537      1.85261   48.9598      1.86548   184.442     5.55128     45.7524     5.55128     
1 1 1 13 1  3  o 73.7997 2.54927 11.1936      1.00489   8.91221      0.936585  22.6962     278.518     82.848      98.5184     
1 1 1 13 1  4  o 210.396 2.40461 82.0792      2.61554   80.401       2.62906   207.718     258.471     22.9429     78.471      
1 1 1 13 1  5  o 155.164 2.39591 43.8126      1.91942   44.5603      1.93468   133.912     349.156     49.6562     169.156     
1 1 1 13 1  6  o 83.4222 2.56596 13.0377      1.10144   12.5635      1.11191   65.1728     79.553      11.1664     259.553     
1 1 1 13 1  7  o 231.516 2.65718 96.0392      2.9111    100.82       3.45504   203.419     339.092     79.2555     159.092     
1 1 1 13 1  8  o 140.887 2.84053 37.6762      2.09126   35.3185      2.0528    162.383     140.308     42.4138     140.308     
1 1 1 13 1  9  o 274.865 2.71665 138.344      3.89052   139.173      3.85053   330.143     356.337     82.5015     356.337     
1 1 1 13 1  10 o 198.534 2.60729 70.662       2.69452   74.131       2.67012   226.39      227.741     39.4948     227.741     
1 1 1 13 1  11 o 33.0282 3.88573 1.79257      0.638878  2.34897      0.637879  2.63036     31.0333     18.2963     31.0333     
1 1 1 13 1  12 o 205.368 2.42432 77.3447      2.5917    77.5494      2.56982   216.945     215.814     3.81757     215.814     
1 1 1 13 1  13 o 118.351 2.46256 25.0744      1.50203   26.4283      1.5157    111.612     198.777     19.3712     18.7766     
1 1 1 13 1  14 o 54.6574 2.95824 5.41311      0.826203  5.6371       0.837243  26.1352     61.2859     48.2179     241.286     
1 1 1 13 1  15 o 96.4256 2.52463 16.4047      1.24785   17.8219      1.27077   72.0093     113.9       50.9951     293.9       
1 1 1 13 1  16 o 35.6577 3.56331 2.09633      0.620354  2.69903      0.655692  1.29006     257.806     54.7329     257.806     
1 1 1 13 1  17 o 127.624 2.28017 30.8037      1.51326   29.0631      1.50167   154.305     179.62      50.1549     179.62      
1 1 1 13 1  18 o 109.469 2.34222 22.3317      1.32922   21.7423      1.32573   101.919     39.7369     17.2693     219.737     
1 1 1 13 1  19 o 71.5417 2.51134 9.10154      0.925165  9.76548      0.930936  36.8976     152.483     66.1391     332.483     
1 1 1 13 1  20 o 57.425  2.70498 6.2171       0.802423  5.96679      0.798571  38.0534     134.544     29.3116     314.544     
1 1 1 13 1  21 o 148.548 2.30133 40.5122      1.77093   40.5815      1.77318   171.003     288.729     39.334      288.729     
1 1 1 13 1  22 o 40.4381 3.25627 2.68329      0.664357  3.44376      0.666763  17.5237     86.6289     30.1064     266.629     
1 1 1 13 1  23 o 135.318 2.33638 34.5303      1.64825   32.7951      1.62899   138.142     33.9876     1.47775     33.9874     
1 1 1 13 1  24 o 97.7643 2.42968 17.0869      1.22626   18.1167      1.23184   96.1348     175.735     2.65024     355.735     
1 1 1 13 1  25 o 14.3793 4.16084 -0.292272    0.520288  0.382046     0.520737  30.5268     172.756     73.8232     172.756     
1 1 1 13 1  26 o 117.143 2.40267 25.1967      1.46489   25.3434      1.44985   127.329     71.6393     21.0022     71.6392     
1 1 1 13 1  27 o 70.487  2.62387 8.83921      0.956892  9.52678      0.952507  75.3532     101.488     19.4134     101.488     
1 1 1 13 1  28 o 114.149 2.40857 23.4133      1.4215    24.6442      1.42499   118.983     14.7972     11.594      14.7972     
1 1 1 13 1  29 o 139.342 2.37889 34.4489      1.71279   37.1842      1.72067   151.427     182.877     24.4341     182.877     
1 1 1 13 1  30 o 85.3734 2.85066 13.0765      1.29598   13.9692      1.21463   101.309     79.2153     36.1975     79.2153     
1 1 1 13 1  31 o 39.9146 4.33831 2.27268      0.86626   3.9583       0.806378  25.356      220.514     23.7194     40.514      
1 1 1 13 1  32 o 55.6059 2.98022 5.12838      0.870842  6.47423      0.816388  66.7638     114.342     29.1819     114.342     
1 1 1 13 1  33 o 63.2847 2.94185 6.24134      0.927502  8.859        0.97618   57.9529     167.971     6.4238      347.971     
1 1 1 13 1  34 o 48.8241 3.60947 6.22146      0.889628  3.11697      0.832943  47.5791     62.5139     3.82836     62.5138     
1 1 1 13 1  35 o 86.5983 2.89292 16.2811      1.25709   12.0136      1.30104   120.707     204.446     74.7127     204.446     
1 1 1 13 1  36 o 23.9245 4.77529 1.1385       0.589124  1.17196      0.647221  16.3301     145.403     4.04616     325.403     
1 1 1 13 1  37 o 43.6502 3.43027 3.35965      0.75101   4.0014       0.771286  39.5326     308.915     3.01193     128.914     
1 1 1 13 1  38 o 39.3842 4.02299 3.10516      0.804001  3.04277      0.791062  37.8069     111.18      2.51468     111.18      
1 1 1 13 1  39 o 28.9918 4.25559 1.10713      0.622553  2.38225      0.62561   19.9441     62.8746     12.9747     242.875     
1 1 1 13 1  40 o 32.7685 3.92946 2.09892      0.634343  2.20473      0.652963  35.0821     307.023     10.9954     307.023     
1 1 1 13 1  41 o 44.8336 3.31719 4.37411      0.754445  3.50095      0.75482   39.4936     136.388     5.00326     316.388     
1 1 1 13 1  42 o 26.8074 4.40188 2.42334      0.665445  0.688986     0.627588  20.8755     183.461     5.76627     3.4607      
1 1 1 13 1  43 o 13.3455 4.06426 0.38781      0.542689  -0.740847    0.588597  4.67166     341.019     3.80998     161.019     
1 1 1 13 1  44 o 22.943  4.98972 1.2742       0.618246  1.03888      0.697742  15.2995     102.476     8.51788     282.476     
1 1 1 13 1  45 o 11.2722 3.70717 -0.420081    0.524711  -0.273485    0.525148  1.63032     246.389     2.62069     66.3887     
1 1 1 13 1  46 o 11.6653 3.79295 -0.480068    0.529977  -0.0656814   0.534421  2.76805     16.0931     2.2443      196.093     
1 1 1 13 1  47 o 24.6629 4.98064 1.94129      0.719435  0.967558     0.669278  20.9807     291.467     0.0105057   111.464     
1 1 1 13 1  48 o 27.1712 4.84769 1.62916      0.708629  1.90318      0.662807  29.917      58.8026     14.5078     58.8026     
1 1 1 13 1  49 o 14.8434 4.44831 0.441543     0.601641  0.15879      0.59194   7.51829     8.76815     6.97543     188.768     
1 1 1 13 1  50 o 15.6386 4.70026 -0.451834    0.744555  0.899819     0.718725  7.31105     129.243     2.43891     129.243     
1 1 1 13 1  51 o 25.7104 5.55372 2.01709      0.853247  1.78919      0.763686  17.0261     320.797     9.12252     140.797     
1 1 1 13 1  52 o 17.2217 4.83337 0.929609     0.649591  0.56299      0.653252  12.1304     123.28      0.881195    123.28      
1 1 1 13 1  53 o 24.4326 5.25113 1.90612      0.736418  1.61686      0.715247  23.3591     12.3006     9.16307     12.3006     
1 1 1 13 1  54 o 11.8722 3.96318 0.0150715    0.646945  -0.470129    0.637775  2.01225     299.982     3.9479      119.982     
1 1 1 13 1  55 o 20.2248 5.44134 2.01421      0.869661  0.70145      0.811771  4.76264     334.3       2.97301     334.3       
1 1 1 13 1  56 o 13.3059 4.37173 -0.508144    0.761818  0.536317     0.742462  0.631911    309.206     0.0308985   129.206     
1 1 1 13 1  57 o 11.0207 3.74068 -0.187575    0.622814  -0.481001    0.616751  2.58632     310.48      4.80994     130.48      
1 1 1 13 2  0  o 102.683 2.68336 19.4186      1.42383   19.4186      1.42383   91.2327     270         34.448      90          
1 1 1 13 2  1  o 453.253 3.16926 382.623      7.45618   372.187      7.43524   517.842     37.8312     71.9686     37.8312     
1 1 1 13 2  2  o 161.085 2.56706 46.2726      2.13598   49.0056      2.15007   155.014     178.409     18.7007     358.409     
1 1 1 13 2  3  o 85.1039 2.75698 13.1842      1.21633   13.4674      1.20947   62.2845     55.2112     23.1727     55.2112     
1 1 1 13 2  4  o 184.17  2.5725  62.4722      2.45566   62.0548      2.45606   212.223     57.0497     46.4534     57.0497     
1 1 1 13 2  5  o 13.9598 4.16627 0.205111     0.530334  -0.229135    0.525145  11.029      281.827     23.1562     281.827     
1 1 1 13 2  6  o 118.775 2.60594 26.4135      1.60622   25.4422      1.59847   127.766     160.026     25.9529     160.026     
1 1 1 13 2  7  o 73.1723 2.83188 10.8295      1.07791   8.9424       1.05642   53.6622     9.02881     0.480463    9.02878     
1 1 1 13 2  8  o 170.992 2.48108 52.6596      2.12581   54.707       2.27216   193.536     119.327     35.4701     119.327     
1 1 1 13 2  9  o 122.024 2.61567 28.4441      1.67541   26.3149      1.62931   131.762     129.64      20.3987     129.64      
1 1 1 13 2  10 o 49.5581 3.30349 4.23907      0.851396  4.88473      0.819042  17.5158     349.691     30.3408     169.691     
1 1 1 13 2  11 o 44.4326 3.20663 3.36696      0.72657   3.98151      0.724943  5.30993     2.11721     58.9588     182.117     
1 1 1 13 2  12 o 194.182 2.26271 68.0387      2.2747    70.4211      2.27998   267.57      12.3157     131.476     12.3157     
1 1 1 13 2  13 o 62.1498 2.59868 8.152        0.847372  6.15921      0.811389  55.1548     125.349     0.596327    305.349     
1 1 1 13 2  14 o 175.21  2.26225 56.7906      2.05829   55.9498      2.05091   147.809     317.352     69.784      137.352     
1 1 1 13 2  15 o 364.704 2.73163 246.276      5.15534   242.713      5.17248   422.73      322.047     79.4464     322.047     
1 1 1 13 2  16 o 75.5609 2.64476 10.1806      1.01882   10.8643      1.0464    65.1378     148.582     15.7251     328.582     
1 1 1 13 2  17 o 14.6833 3.99852 -0.512167    0.490937  0.612844     0.503987  23.5718     183.374     54.224      183.374     
1 1 1 13 2  18 o 111.621 2.41663 22.952       1.3525    22.8793      1.43919   123.74      278.797     23.6446     278.797     
1 1 1 13 2  19 o 77.505  2.48281 12.4903      1.00582   9.72281      0.975505  50.0362     74.4437     52.3538     254.444     
1 1 1 13 2  20 o 139.147 2.30491 33.6064      1.65129   37.6007      1.67079   154.223     248.283     25.3222     248.283     
1 1 1 13 2  21 o 295.313 2.43945 158.428      3.73096   162.186      3.73728   337.184     221.831     63.4622     221.831     
1 1 1 13 2  22 o 102.112 2.39641 19.9606      1.27048   18.428       1.26168   84.2069     19.3429     37.0252     199.343     
1 1 1 13 2  23 o 179.876 2.39609 60.3674      2.31268   58.6052      2.15472   194.111     295.562     20.3539     295.562     
1 1 1 13 2  24 o 109.696 2.4867  21.539       1.45448   22.7815      1.36495   116.824     127.05      14.0426     127.05      
1 1 1 13 2  25 o 53.9124 3.00983 5.24183      0.860395  5.54141      0.804911  41.9747     50.9935     14.1952     230.993     
1 1 1 13 2  26 o 103.155 2.5341  20.0399      1.4044    19.1907      1.3013    89.6762     6.39947     25.9728     186.399     
1 1 1 13 2  27 o 98.3002 2.63421 17.9112      1.34295   17.7556      1.33671   108.623     121.819     24.9359     121.819     
1 1 1 13 2  28 o 76.0274 2.71491 11.2694      1.03354   10.1286      1.09279   86.7561     320.334     29.8811     320.334     
1 1 1 13 2  29 o 141.927 2.45922 37.556       1.74948   36.7784      1.86408   153.246     35.7158     22.7929     35.7158     
1 1 1 13 2  30 o 74.1207 2.90433 10.2639      1.0682    10.1474      1.15254   99.2906     301.747     58.0404     301.747     
1 1 1 13 2  31 o 53.2039 3.39019 5.20427      0.931461  5.43039      0.917657  48.9069     134.804     3.91934     314.804     
1 1 1 13 2  32 o 12.1259 3.80312 -0.272051    0.484085  -0.0521362   0.473485  5.38339     138.568     17.3422     138.568     
1 1 1 13 2  33 o 33.0775 4.03928 1.48229      0.64798   2.8608       0.658563  30.396      143.754     6.89776     143.754     
1 1 1 13 2  34 o 36.8609 3.68883 2.74359      0.698254  2.48558      0.671777  30.5105     281.264     5.21309     101.264     
1 1 1 13 2  35 o 14.4702 3.99779 0.597351     0.5046    -0.379629    0.46865   5.40641     317.342     28.8821     317.342     
1 1 1 13 2  36 o 78.8163 2.64403 11.7772      1.07773   11.5355      1.07648   100.31      286.182     48.9095     286.182     
1 1 1 13 2  37 o 63.5986 2.96739 7.47016      0.959513  7.88277      0.986063  62.156      249.539     2.19502     249.539     
1 1 1 13 2  38 o 50.3893 3.73856 5.70026      1.01098   4.2678       0.908405  60.0671     1.39983     25.6016     1.39983     
1 1 1 13 2  39 o 42.649  3.42198 2.79519      0.720524  4.356        0.73178   37.9484     227.227     4.35186     47.2274     
1 1 1 13 2  40 o 41.4587 3.36394 3.33643      0.701756  3.363        0.717874  41.3447     194.101     5.34379     194.101     
1 1 1 13 2  41 o 56.0627 3.18782 5.18564      0.902318  7.07779      0.917026  59.4173     274.521     13.2994     274.521     
1 1 1 13 2  42 o 29.4511 4.33546 1.41278      0.630993  2.24993      0.653496  23.6204     238.131     5.65108     58.1311     
1 1 1 13 2  43 o 12.8135 3.94756 0.296906     0.528547  -0.559274    0.520367  3.74164     2.22512     27.7137     2.22512     
1 1 1 13 2  44 o 43.7076 3.69648 4.34815      0.816478  3.42071      0.812504  44.0422     191.987     8.08168     191.987     
1 1 1 13 2  45 o 33.9148 4.13666 2.13289      0.700546  2.73584      0.693896  38.6161     144.346     17.6337     144.346     
1 1 1 13 2  46 o 16.4538 4.61727 0.469522     0.597849  0.455848     0.576331  10.8611     202.366     1.96096     22.366      
1 1 1 13 2  47 o 32.3099 4.33392 2.27156      0.702664  2.34984      0.695785  30.7383     101.952     4.34617     101.952     
1 1 1 13 2  48 f 33.3607 4.33465 1.5261       0.686014  3.68171      0.738413  24.6388     210.413     0           0           
1 1 1 13 2  49 o 15.8664 4.60222 0.342327     0.596609  0.571917     0.617608  10.2826     94.1114     2.1926      274.111     
1 1 1 13 2  50 o 19.4692 5.22426 0.488526     0.721337  1.45648      0.791723  12.499      179.532     5.71527     359.532     
1 1 1 13 2  51 o 19.8023 5.2502  0.751778     0.688014  1.44057      0.788104  14.295      231.877     1.73335     51.8774     
1 1 1 13 2  52 o 18.6609 4.84591 0.407745     0.664526  1.39233      0.66396   14.6533     299.138     2.83488     299.138     
1 1 1 13 2  53 o 11.6645 3.94003 0.0992571    0.702382  -0.963629    0.643782  1.63517     313.18      1.44631     133.18      
1 1 1 13 2  54 o 14.1833 4.338   -0.855533    0.668189  0.973817     0.677117  5.24682     90.7758     5.91823     270.776     
1 1 1 13 2  55 o 15.2396 4.64914 -0.345377    0.675872  1.15566      0.762295  6.70798     255.745     0.21791     75.7446     
1 1 1 13 2  56 o 13.7169 4.47085 0.82243      0.811191  -0.50876     0.686638  4.98607     236.797     0.92412     56.7968     
1 1 1 13 2  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 3  0  o 91.6434 2.70055 15.4856      1.2778    15.4856      1.2778    47.1568     90          100.224     270         
1 1 1 13 3  1  o 199.63  2.58115 73.8616      2.67172   72.4542      2.67005   239.789     168.462     67.9485     168.462     
1 1 1 13 3  2  o 231.84  2.61947 97.3572      3.15068   100.002      3.14478   214.276     128.501     57.5427     308.501     
1 1 1 13 3  3  o 247.707 2.64802 113.589      3.40273   111.716      3.3973    251.11      292.418     17.7272     112.418     
1 1 1 13 3  4  o 67.0406 2.88308 8.98632      1.00959   7.61227      0.98149   15.1087     314.215     86.7284     134.215     
1 1 1 13 3  5  o 167.259 2.57119 51.1953      2.23182   51.5269      2.2266    168.18      96.0578     7.50139     276.058     
1 1 1 13 3  6  o 90.7947 2.52733 14.2544      1.1905    16.0894      1.17974   63.6439     310.36      45.692      130.36      
1 1 1 13 3  7  o 232.896 2.44356 100.343      2.96131   98.8115      2.9386    275.289     24.846      63.8056     24.846      
1 1 1 13 3  8  o 82.4745 2.40432 12.3124      1.02603   12.7062      1.02511   79.0505     61.4342     13.0876     61.4342     
1 1 1 13 3  9  o 151.893 2.32961 42.2347      1.77293   42.4731      1.89383   114.873     56.9876     85.0837     236.988     
1 1 1 13 3  10 f 205.345 2.43518 76.0292      2.59283   78.8341      2.59061   185.122     238.447     0           0           
1 1 1 13 3  11 o 63.7836 2.75905 7.52059      0.916136  7.48499      0.899531  15.8626     345.675     92.4441     165.675     
1 1 1 13 3  12 o 59.9454 2.72546 6.50942      0.876791  6.75146      0.80472   44.0376     192.042     21.5251     12.0418     
1 1 1 13 3  13 o 203.737 2.27473 74.9896      2.40269   77.4558      2.40146   206.562     117.938     12.7753     297.938     
1 1 1 13 3  14 o 67.8345 2.53135 8.77652      0.884617  8.18375      0.888266  36.4328     196.055     59.1147     16.0554     
1 1 1 13 3  15 o 280.854 2.37907 144.718      3.46352   145.073      3.46353   309.174     110.398     30.5573     110.398     
1 1 1 13 3  16 o 242.871 2.40427 108.044      3.12487   108.697      2.92486   279.867     310.993     53.7664     310.993     
1 1 1 13 3  17 o 12.0472 3.78635 0.00837998   0.4801    -0.487801    0.494358  8.29381     269.865     18.1712     269.865     
1 1 1 13 3  18 o 61.6814 3.06343 7.23949      1.04494   6.83697      0.899449  41.1559     282.02      32.6026     102.02      
1 1 1 13 3  19 f 23.6722 4.36124 1.74507      0.616513  0.370359     0.571764  16.0837     309.222     0           0           
1 1 1 13 3  20 o 90.3353 2.59192 14.8173      1.21607   15.2424      1.20593   57.2238     300.488     66.5693     120.488     
1 1 1 13 3  21 o 106.409 2.46098 22.2832      1.31661   19.4384      1.38418   102.822     358.317     8.0591      178.317     
1 1 1 13 3  22 o 81.3102 2.71092 12.8854      1.06354   11.514       1.20011   88.8148     286.38      20.139      286.38      
1 1 1 13 3  23 o 43.6674 3.29294 2.89949      0.709162  4.2785       0.739276  31.4347     215.719     8.29932     35.7185     
1 1 1 13 3  24 o 219.98  2.36021 90.3139      2.69257   87.6695      2.68967   239.135     125.241     28.7176     125.241     
1 1 1 13 3  25 o 107.144 2.40651 20.7192      1.33781   21.566       1.33136   81.2021     268.682     52.3737     88.6822     
1 1 1 13 3  26 o 25.4557 4.42262 1.31135      0.587958  1.1931       0.571076  12.3032     99.6948     58.8939     99.6948     
1 1 1 13 3  27 o 40.606  3.30771 3.19274      0.698108  2.98626      0.669001  24.275      255.224     11.4173     75.2238     
1 1 1 13 3  28 f 118.398 2.40124 26.5392      1.48288   25.1773      1.46121   76.0254     211.431     0           0           
1 1 1 13 3  29 o 116.021 2.41631 24.8589      1.45782   24.8445      1.44534   137.508     184.438     45.2331     184.438     
1 1 1 13 3  30 f 97.0373 2.63405 17.8426      1.32757   17.042       1.31705   81.9335     191.652     0           0           
1 1 1 13 3  31 o 16.8279 4.58034 0.00611559   0.601057  0.610608     0.574236  0.108924    142.77      11.2982     142.77      
1 1 1 13 3  32 o 50.2816 3.10816 4.56802      0.801     4.9298       0.801935  47.8995     156.372     0.803969    156.372     
1 1 1 13 3  33 o 44.0394 3.37587 3.05707      0.74266   4.3522       0.753298  40.9406     203.952     0.465921    203.953     
1 1 1 13 3  34 f 92.4297 2.51814 16.685       1.20906   15.1622      1.19776   72.0572     203.676     0           0           
1 1 1 13 3  35 o 24.6452 4.39224 1.32206      0.564437  1.11049      0.559312  16.7241     174.777     4.56103     174.777     
1 1 1 13 3  36 o 68.0639 2.70102 9.45269      0.965453  8.00352      0.930251  72.5369     175.345     14.1598     175.345     
1 1 1 13 3  37 o 26.7379 4.45122 1.40647      0.590663  1.50515      0.62275   17.4433     289.282     12.3605     109.282     
1 1 1 13 3  38 o 111.637 3.25673 23.5635      1.8853    24.174       1.8754    132.409     241.595     49.1959     241.595     
1 1 1 13 3  39 o 28.6266 4.28395 1.35367      0.610044  2.00922      0.624969  28.2687     229.777     5.79931     229.777     
1 1 1 13 3  40 o 79.384  2.85783 11.1653      1.17028   12.9059      1.16862   86.6009     268.074     21.8196     268.074     
1 1 1 13 3  41 o 13.9846 4.18103 -0.00613547  0.534447  0.214319     0.516359  5.17979     177.364     7.77314     357.364     
1 1 1 13 3  42 o 32.4009 4.0916  3.26594      0.675542  1.24698      0.621369  22.7978     72.7544     13.5543     252.754     
1 1 1 13 3  43 o 13.4992 4.11461 0.197785     0.527028  -0.117503    0.530928  2.21818     286.273     15.2331     106.273     
1 1 1 13 3  44 o 49.1353 3.34312 5.0757       0.868846  4.55011      0.813335  43.2484     111.31      4.25578     291.31      
1 1 1 13 3  45 o 25.3114 4.96681 1.42967      0.669344  1.48086      0.679909  24.0937     232.142     5.77273     232.142     
1 1 1 13 3  46 o 50.9149 3.24983 5.66191      0.860265  4.81681      0.833623  61.756      118.974     30.996      118.974     
1 1 1 13 3  47 o 13.4607 4.15425 0.253662     0.560075  -0.1235      0.546833  5.63342     357.252     0.494241    357.252     
1 1 1 13 3  48 f 36.1764 3.9972  3.15378      0.741866  2.61501      0.705981  22.6209     207.985     0           0           
1 1 1 13 3  49 o 10.1494 3.45932 -0.465773    0.551673  -0.720833    0.532143  1.19791     276.252     8.8228      96.2517     
1 1 1 13 3  50 o 16.5591 4.85879 0.780773     0.726322  0.368909     0.64829   10.4832     29.7894     1.82569     209.789     
1 1 1 13 3  51 o 20.6125 4.74483 0.106479     0.6976    1.97402      0.715149  16.8536     298.483     2.04615     298.483     
1 1 1 13 3  52 o 14.1163 4.32321 0.835934     0.67302   -0.484135    0.576778  4.19306     316.416     0.922266    316.416     
1 1 1 13 3  53 o 15.6948 4.68531 0.143917     0.661678  0.916979     0.689841  7.36609     323.721     7.18879     143.721     
1 1 1 13 3  54 o 17.5269 4.94041 0.914122     0.691305  0.860176     0.658806  8.44311     346.482     2.81967     346.482     
1 1 1 13 3  55 o 13.9181 4.45746 0.379969     0.716821  0.147663     0.666407  4.66895     273.362     1.38086     93.3622     
1 1 1 13 3  56 o 14.2465 4.60026 -0.67703     0.781872  1.00081      0.822152  3.56335     66.5871     0.496275    66.5871     
1 1 1 13 3  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 4  0  o 25.6883 5.14753 1.46951      0.593593  1.46951      0.593593  4.44565     90          11.0887     90          
1 1 1 13 4  1  o 121.453 2.42485 25.9785      1.52588   28.2402      1.52207   156.393     40.4215     92.6881     40.4215     
1 1 1 13 4  2  o 79.5449 2.5268  12.2349      1.07546   11.0586      1.00336   16.4185     340.416     119.51      160.416     
1 1 1 13 4  3  o 159.511 2.2465  45.4286      1.85135   47.9783      1.86291   155.217     166.284     16.8919     346.284     
1 1 1 13 4  4  o 191.029 2.24727 67.1396      2.23058   66.8057      2.21999   144.068     356.741     110.748     176.741     
1 1 1 13 4  5  o 50.3506 2.79816 3.81899      0.712389  5.64105      0.713808  10.6855     37.881      20.5923     217.881     
1 1 1 13 4  6  o 192.81  2.246   67.6581      2.24646   68.8096      2.24292   169.153     229.256     64.0822     49.256      
1 1 1 13 4  7  o 202.899 2.25909 77.0493      2.38442   74.0934      2.36717   279.171     263.963     139.133     263.963     
1 1 1 13 4  8  o 138.161 2.25582 35.5173      1.62114   34.5636      1.60987   115.644     219.618     53.0676     39.6184     
1 1 1 13 4  9  o 182.774 2.25785 61.4833      2.14286   61.1662      2.13544   165.341     100.046     50.9796     280.046     
1 1 1 13 4  10 o 27.4964 4.4801  1.37803      0.65484   1.5205       0.5969    34.2499     75.4832     108.231     75.4832     
1 1 1 13 4  11 o 103.17  2.60076 20.598       1.45226   18.5843      1.32589   99.6965     112.038     9.19093     292.038     
1 1 1 13 4  12 o 87.9878 2.69699 13.5371      1.27196   14.9867      1.17258   75.2025     241.079     24.9184     61.0788     
1 1 1 13 4  13 f 169.775 2.41445 50.4824      2.1183    55.4628      2.12826   167.167     274.386     0           0           
1 1 1 13 4  14 o 102.565 2.42116 19.3635      1.24344   19.3289      1.32595   133.017     216.21      65.6215     216.21      
1 1 1 13 4  15 o 148.637 2.44025 39.4994      1.74423   41.6985      2.01266   135.141     276.954     36.2674     96.9544     
1 1 1 13 4  16 o 62.8906 2.69454 7.82864      0.854142  6.78666      0.887954  47.3135     102.821     21.9681     282.821     
1 1 1 13 4  17 o 105.339 2.41893 20.225       1.28029   20.5986      1.35732   143.619     75.5254     83.7745     75.5254     
1 1 1 13 4  18 o 181.365 2.35939 62.5567      2.30223   58.3607      2.13464   180.534     218.13      12.7899     38.1296     
1 1 1 13 4  19 o 51.2374 3.04623 5.29912      0.79987   4.45249      0.798207  17.8006     291.17      58.772      111.17      
1 1 1 13 4  20 o 43.1944 3.33661 3.99869      0.725162  2.99518      0.729389  24.2364     112.107     18.5323     292.107     
1 1 1 13 4  21 o 165.814 2.39976 51.2913      1.99071   49.7885      2.12974   193.708     305.186     49.0036     305.186     
1 1 1 13 4  22 o 56.488  2.76149 5.8915       0.814316  5.90798      0.792727  46.0195     48.7477     12.2069     228.748     
1 1 1 13 4  23 o 44.9298 3.12571 3.42907      0.711518  4.09794      0.721369  18.6686     50.6615     44.0225     230.662     
1 1 1 13 4  24 o 70.8967 2.61008 9.78955      0.964857  8.77679      0.945684  78.7664     19.6092     24.6472     19.6092     
1 1 1 13 4  25 o 82.0004 2.5272  13.6296      1.0742    11.2287      1.06236   78.2289     343.5       3.06588     163.5       
1 1 1 13 4  26 o 218.277 2.35577 89.8475      2.67708   85.5703      2.65317   265.418     29.8649     89.2442     29.8649     
1 1 1 13 4  27 o 73.3181 2.59961 9.94585      0.983839  9.92398      0.985825  53.0105     314.488     35.8382     134.488     
1 1 1 13 4  28 o 64.0298 2.69381 7.78793      0.897498  7.405        0.882474  78.7971     196.743     43.4528     196.743     
1 1 1 13 4  29 o 37.2815 3.51045 3.13113      0.665852  2.1687       0.641379  18.5483     33.6062     29.1281     213.606     
1 1 1 13 4  30 f 11.4691 3.70526 -0.462225    0.510103  -0.205349    0.479787  17.9242     72.4271     0           0           
1 1 1 13 4  31 o 120.755 2.94014 25.0481      1.76219   29.2976      1.91331   137.459     126.541     35.6106     126.541     
1 1 1 13 4  32 o 65.9423 2.88389 7.12778      0.967755  9.18222      0.983257  67.3328     321.63      7.29911     321.63      
1 1 1 13 4  33 o 90.702  2.52074 14.7996      1.17448   15.8209      1.19069   97.2994     92.9947     17.4137     92.9947     
1 1 1 13 4  34 o 46.6959 3.07099 4.45499      0.748828  3.80207      0.719024  48.677      298.033     10.7406     298.033     
1 1 1 13 4  35 o 63.2752 2.74349 7.57867      0.897557  7.46991      0.89347   46.048      148.162     30.1099     328.162     
1 1 1 13 4  36 o 11.0845 3.53526 0.121199     0.480914  -0.924731    0.448453  0.30059     34.8259     1.75833     34.8259     
1 1 1 13 4  37 o 63.0804 2.82419 7.41369      0.913839  7.66975      0.923536  74.0194     179.643     27.7393     179.643     
1 1 1 13 4  38 o 21.9077 5.02305 0.493446     0.647258  1.40534      0.717684  12.8761     47.6735     11.444      227.673     
1 1 1 13 4  39 o 68.9832 3.22494 8.17983      1.13752   10.1793      1.14472   69.1674     253.817     6.61478     253.817     
1 1 1 13 4  40 o 47.3718 3.3021  4.39047      0.819124  4.34319      0.781119  37.2814     5.66318     14.7014     185.663     
1 1 1 13 4  41 o 45.0345 3.27285 3.6395       0.751113  4.31303      0.749395  48.4287     2.37943     13.3048     2.37943     
1 1 1 13 4  42 o 53.0198 3.16597 4.48909      0.837726  6.59527      0.861574  47.8982     143.499     3.29067     323.499     
1 1 1 13 4  43 o 13.184  3.94496 0.445577     0.525642  -0.549759    0.491906  1.95695     1.50083     15.0542     181.501     
1 1 1 13 4  44 o 31.9964 4.21539 1.48752      0.660225  2.92848      0.670107  33.1393     343.884     9.92816     343.884     
1 1 1 13 4  45 o 12.6715 3.92228 -1.03758     0.545915  0.429922     0.565039  1.73654     221.627     0.325114    41.6273     
1 1 1 13 4  46 f 26.749  4.75202 2.20072      0.666057  1.0999       0.712085  20.6413     321.474     0           0           
1 1 1 13 4  47 o 23.7274 4.69263 1.87885      0.655889  0.784835     0.616499  11.9939     106.311     17.3517     286.311     
1 1 1 13 4  48 o 10.2699 3.48946 -0.766542    0.578024  -0.425786    0.514716  1.43522     49.3551     9.98469     229.355     
1 1 1 13 4  49 o 13.8679 4.18583 -0.485915    0.582285  0.617114     0.581762  6.96888     76.9809     0.0581409   256.981     
1 1 1 13 4  50 o 22.4489 5.45034 1.34239      0.777906  1.51245      0.758261  17.7309     167.455     0.270293    347.455     
1 1 1 13 4  51 o 12.8445 4.14762 0.103238     0.613546  -0.126657    0.620268  3.9255      12.2433     8.80125     192.243     
1 1 1 13 4  52 o 13.2298 4.26171 0.119104     0.648412  0.0297513    0.639858  5.75525     181.06      2.46301     1.06041     
1 1 1 13 4  53 o 12.7449 4.12673 0.302881     0.631417  -0.307199    0.617096  3.14793     25.9723     1.78639     205.972     
1 1 1 13 4  54 o 14.42   4.43793 0.14416      0.623332  0.599623     0.634416  3.22378     350.919     0.294118    170.919     
1 1 1 13 4  55 o 13.4041 4.33019 0.514876     0.70238   -0.258609    0.663047  4.18884     15.6987     7.54037     195.699     
1 1 1 13 4  56 o 13.9916 4.49885 0.508317     0.681175  0.0546545    0.778429  5.80329     208.169     0.418533    28.1692     
1 1 1 13 4  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 5  0  o 13.3154 5.00776 0.468287     0.467415  0.468287     0.467415  49.7876     90          105.317     90          
1 1 1 13 5  1  o 146.108 2.24369 37.5719      1.69163   40.823       1.70531   113.418     347.046     73.8183     167.046     
1 1 1 13 5  2  o 125.095 2.26462 28.0379      1.46942   29.4346      1.46545   93.2085     270.586     67.9423     90.586      
1 1 1 13 5  3  o 138.028 2.30895 34.2944      1.69628   35.6538      1.60419   105.498     12.94       72.2746     192.94      
1 1 1 13 5  4  o 116.876 2.35373 24.2141      1.46058   25.9944      1.38326   87.9038     63.4161     60.803      243.416     
1 1 1 13 5  5  o 151.596 2.3211  43.2301      1.88855   41.1572      1.7594    167.496     295.632     24.4007     295.632     
1 1 1 13 5  6  f 71.8743 2.56466 9.5732       0.979118  9.4491       0.925261  141.979     334.176     0           0           
1 1 1 13 5  7  o 87.5428 2.48021 15.1504      1.10006   13.0787      1.13843   98.2459     280.245     33.0396     280.245     
1 1 1 13 5  8  o 42.7297 3.2107  4.31123      0.668907  2.59075      0.685134  15.1224     136.256     19.705      316.256     
1 1 1 13 5  9  o 113.281 2.37587 23.4508      1.34814   23.7185      1.43803   134.178     299.108     39.8491     299.108     
1 1 1 13 5  10 o 145.994 2.33027 39.7864      1.70782   38.4947      1.81537   110.897     275.925     81.4771     95.9253     
1 1 1 13 5  11 o 76.5167 2.64959 10.3522      1.05021   11.2238      1.04359   70.2378     279.737     7.14061     99.7369     
1 1 1 13 5  12 o 231.578 2.46318 102.35       2.97293   94.7551      2.93861   230.918     39.5407     22.3646     219.541     
1 1 1 13 5  13 o 43.1801 3.12496 3.78951      0.727554  3.15721      0.652055  11.584      322.238     47.9578     142.238     
1 1 1 13 5  14 o 255.339 2.33271 121.671      3.09834   117.868      3.07641   305.066     7.37647     78.052      7.37647     
1 1 1 13 5  15 f 21.3999 4.40059 0.873718     0.521734  0.852159     0.512874  39.1555     218.243     0           0           
1 1 1 13 5  16 o 137.061 2.28018 34.3736      1.62384   34.645       1.61609   95.3382     26.7503     90.8768     206.75      
1 1 1 13 5  17 o 82.9181 2.4437  13.2021      1.05552   12.124       1.0397    102.246     227.007     51.324      227.007     
1 1 1 13 5  18 o 244.443 2.34474 106.965      2.96408   112.664      2.97673   274.441     23.8953     43.4537     23.8952     
1 1 1 13 5  19 o 115.396 2.35124 24.2673      1.40974   24.7155      1.39998   115.802     5.40606     1.03685     185.406     
1 1 1 13 5  20 o 36.684  3.74945 3.01354      0.687548  2.09613      0.67934   12.1516     7.18537     29.0624     187.185     
1 1 1 13 5  21 o 260.26  2.56023 124.263      3.4464    124.879      3.46152   252.606     230.705     30.3953     50.705      
1 1 1 13 5  22 o 174.825 2.41288 58.549       2.11621   53.8956      2.24674   187.27      326.046     17.942      326.046     
1 1 1 13 5  23 o 83.4292 2.5029  12.9969      1.08413   12.6608      1.07573   77.5381     326.844     8.66521     146.844     
1 1 1 13 5  24 o 85.7445 2.52021 13.3393      1.12061   13.7703      1.11446   64.0586     200.318     41.2097     20.318      
1 1 1 13 5  25 o 82.4698 2.52011 12.5063      1.08519   12.5853      1.06418   90.374      212.223     22.421      212.223     
1 1 1 13 5  26 o 44.1145 3.14726 3.07954      0.700999  4.22978      0.702482  11.3971     124.19      56.2331     304.19      
1 1 1 13 5  27 o 27.4091 4.21199 1.48693      0.595449  1.41853      0.567219  3.14222     184.701     7.07393     4.70135     
1 1 1 13 5  28 f 43.5415 3.15356 3.99211      0.716709  3.13046      0.68162   58.6323     107.553     0           0           
1 1 1 13 5  29 o 23.5804 4.35311 1.76462      0.617026  0.371351     0.568819  3.99511     287.071     25.2211     107.071     
1 1 1 13 5  30 o 41.7876 3.65554 3.50355      0.783941  3.12472      0.764675  48.7025     101.034     27.8825     101.034     
1 1 1 13 5  31 o 60.6858 3.13134 7.02268      0.998435  6.77625      0.958128  49.7936     272.542     17.8835     92.5415     
1 1 1 13 5  32 o 20.4622 4.44917 0.606586     0.540977  0.975626     0.513291  6.01534     79.1134     10.5083     259.113     
1 1 1 13 5  33 o 24.0741 4.24459 1.40024      0.548304  0.905234     0.51772   12.8588     108.495     9.36067     288.495     
1 1 1 13 5  34 o 53.8277 2.85788 5.1772       0.787122  5.73601      0.794671  42.9309     345.328     17.023      165.328     
1 1 1 13 5  35 o 48.8187 2.97454 4.92896      0.755205  4.1232       0.732407  46.5464     255.799     0.879831    255.799     
1 1 1 13 5  36 o 10.0192 3.32733 -0.238828    0.457517  -0.682562    0.429318  2.97914     133.744     11.9025     133.744     
1 1 1 13 5  37 o 59.5587 3.03597 6.90484      0.936051  6.63731      0.925831  58.007      237.981     2.26757     237.981     
1 1 1 13 5  38 o 10.3819 3.51443 -1.03551     0.576733  -0.461293    0.519605  9.74765     160.355     34.9786     160.355     
1 1 1 13 5  39 o 42.9896 3.92645 2.64646      0.806912  4.83621      0.837263  35.1783     11.9048     10.3626     191.905     
1 1 1 13 5  40 o 81.9754 2.9069  13.5795      1.23938   12.1914      1.22117   87.0866     300.773     18.3632     300.773     
1 1 1 13 5  41 o 55.4422 3.02693 5.28286      0.853512  6.67446      0.863365  55.664      100.812     7.41612     100.812     
1 1 1 13 5  42 o 23.7201 4.56095 0.746686     0.605517  1.65903      0.603256  19.3932     311.557     1.49683     131.557     
1 1 1 13 5  43 o 18.3177 4.59485 0.861882     0.572051  0.460235     0.537689  13.4708     56.0158     0.823623    56.0158     
1 1 1 13 5  44 o 26.288  4.58675 1.2626       0.639823  1.77188      0.614938  23.6065     117.769     2.06813     117.769     
1 1 1 13 5  45 o 15.2487 4.40539 0.333859     0.558191  0.313351     0.544936  7.41938     261.602     1.94472     261.602     
1 1 1 13 5  46 o 11.183  3.70611 -0.655484    0.53913   -0.16067     0.553019  2.65965     88.5632     2.46761     268.563     
1 1 1 13 5  47 o 10.6552 3.53879 0.0138738    0.525765  -1.10731     0.52118   2.5466      208.616     6.64824     28.6158     
1 1 1 13 5  48 o 12.4181 3.99133 -0.0738405   0.57646   -0.0972939   0.544986  5.46052     28.8206     3.37672     208.821     
1 1 1 13 5  49 o 18.007  4.78467 0.424308     0.633846  1.06616      0.627089  11.9653     273.561     3.64616     93.5612     
1 1 1 13 5  50 o 14.398  4.55772 0.241136     0.722529  0.126611     0.676427  5.21576     98.9104     9.89092     278.91      
1 1 1 13 5  51 o 11.8674 3.95556 -0.198895    0.624078  -0.340499    0.640306  2.73969     143.838     8.95923     323.838     
1 1 1 13 5  52 o 13.5899 4.29082 0.0754223    0.607567  0.312063     0.627379  3.42745     91.454      12.4012     271.454     
1 1 1 13 5  53 o 10.1445 3.46973 -0.414791    0.568222  -0.615189    0.54467   0.313273    114.521     6.07375     294.521     
1 1 1 13 5  54 o 13.5058 4.19771 -0.36324     0.606863  0.647983     0.604723  3.39095     155.567     1.40219     335.567     
1 1 1 13 5  55 o 13.7114 4.3562  -0.198477    0.687792  0.596878     0.655434  5.38783     343.662     3.25274     163.662     
1 1 1 13 5  56 o 14.7337 4.60456 -0.304996    0.725191  1.02815      0.749415  7.27319     154.359     4.34326     334.359     
1 1 1 13 5  57 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 6  0  o 23.4618 5.42334 1.28954      0.584316  1.28954      0.584316  32.8386     270         86.5894     270         
1 1 1 13 6  1  o 139.12  2.40393 33.8809      1.61104   37.2286      1.85607   159.962     146.717     36.9249     146.717     
1 1 1 13 6  2  o 67.9902 2.7197  8.62613      0.885325  8.41199      1.0172    1.02745     340.845     130.769     160.844     
1 1 1 13 6  3  o 58.8312 2.8     6.43338      0.806658  6.34199      0.888366  36.245      146.993     27.1994     326.993     
1 1 1 13 6  4  o 63.9854 2.64611 7.56152      0.859141  7.53019      0.88817   42.3739     294.048     31.5121     114.048     
1 1 1 13 6  5  o 104.605 2.3137  18.9238      1.24416   21.3297      1.25932   115.125     111.403     21.9486     111.403     
1 1 1 13 6  6  f 180.273 2.25208 58.9697      2.10635   60.3575      2.10237   188.658     1.2813      0           0           
1 1 1 13 6  7  o 200.595 2.26928 72.8414      2.36232   74.9166      2.35645   284.224     127.207     152.021     127.207     
1 1 1 13 6  8  o 263.513 2.34014 128.803      3.20327   126.219      3.1896    299.93      332.531     47.0491     332.531     
1 1 1 13 6  9  f 83.5095 2.39421 13.2759      1.04418   12.3893      1.02399   128.983     352.379     0           0           
1 1 1 13 6  10 o 58.4208 2.60639 5.87549      0.781491  6.73107      0.786467  11.6199     159.995     89.307      339.995     
1 1 1 13 6  11 o 48.348  2.92202 3.41437      0.685251  5.35486      0.7482    26.0688     64.0379     27.7923     244.038     
1 1 1 13 6  12 o 224.762 2.45686 93.9905      2.87267   91.6456      2.85207   233.738     356.042     0.745522    176.042     
1 1 1 13 6  13 o 72.6077 2.66466 9.70694      1.00165   9.72665      0.997265  73.3468     346.084     11.578      346.084     
1 1 1 13 6  14 o 33.4998 3.41574 2.24536      0.574859  1.9774       0.575105  1.36502     111.184     35.3768     291.184     
1 1 1 13 6  15 o 85.7198 2.40139 14.1099      1.0692    12.9479      1.05952   58.5839     204.181     53.1254     24.1805     
1 1 1 13 6  16 o 276.654 2.3849  143.189      3.43129   138.117      3.40843   313.442     235.39      53.1665     235.39      
1 1 1 13 6  17 o 198.752 2.30451 73.2603      2.38237   71.9024      2.36605   200.635     28.0671     8.34194     208.067     
1 1 1 13 6  18 o 118.147 2.32513 25.4402      1.42344   25.8996      1.42162   112.308     168.013     14.2026     348.013     
1 1 1 13 6  19 o 116.659 2.35595 24.8849      1.42635   25.1788      1.42      111.157     45.3621     13.2015     225.362     
1 1 1 13 6  20 o 140.061 2.31589 36.2072      1.68534   35.9004      1.67741   114.418     274.21      56.5383     94.2102     
1 1 1 13 6  21 o 101.09  2.48667 19.9811      1.36269   17.6858      1.24038   91.374      192.974     19.7745     12.9736     
1 1 1 13 6  22 f 100.673 2.60206 18.2538      1.34919   19.101       1.36172   142.093     342.85      0           0           
1 1 1 13 6  23 o 137.795 2.52055 35.4405      1.80189   34.4926      1.79563   170.363     176.244     64.5723     176.244     
1 1 1 13 6  24 o 77.6788 2.55224 11.6213      1.03629   10.6554      1.01284   62.1132     143.805     26.837      323.805     
1 1 1 13 6  25 o 57.5313 2.74013 6.82239      0.822125  5.47439      0.797336  55.793      164.004     10.7343     164.004     
1 1 1 13 6  26 o 70.7132 2.60472 8.95959      0.961695  9.53538      0.939638  60.8311     321.885     13.6251     141.885     
1 1 1 13 6  27 o 65.445  2.6723  7.76459      0.906562  8.10508      0.898282  37.7737     302.74      51.2589     122.74      
1 1 1 13 6  28 o 44.516  3.06554 3.50814      0.702186  3.91094      0.692068  37.982      275.287     4.28257     95.2872     
1 1 1 13 6  29 o 61.047  3.09835 6.62417      0.968214  7.29971      0.978216  55.1576     307.261     7.99867     127.261     
1 1 1 13 6  30 o 46.2536 3.49959 4.97039      0.839708  3.20914      0.787591  47.9366     244.223     10.5636     244.223     
1 1 1 13 6  31 o 90.1415 2.69116 15.4335      1.27131   14.8119      1.23803   83.661      138.131     9.64375     318.131     
1 1 1 13 6  32 o 21.6162 4.29214 1.32776      0.538807  0.474529     0.522546  8.5195      272.905     6.87142     92.905      
1 1 1 13 6  33 o 51.5541 2.9981  4.50084      0.802453  5.54571      0.77443   36.7102     101.192     24.9835     281.192     
1 1 1 13 6  34 o 17.598  4.14363 1.01523      0.519803  -0.108501    0.504593  4.70738     307.458     10.3208     127.458     
1 1 1 13 6  35 o 38.3235 3.40838 3.14604      0.663784  2.53492      0.653884  36.1761     352.09      1.79795     352.09      
1 1 1 13 6  36 o 115.642 2.4761  24.58        1.47961   25.6152      1.48512   123.87      245.292     23.5916     245.292     
1 1 1 13 6  37 o 17.1184 4.62489 0.7346       0.596158  0.0460674    0.604429  5.14564     218.567     16.8383     38.5675     
1 1 1 13 6  38 o 40.6889 4.37453 2.82651      0.896458  3.8855       0.864233  36.9541     291.574     2.08348     111.574     
1 1 1 13 6  39 o 61.7295 2.82774 8.02738      0.907184  6.56339      0.88703   58.8584     201.91      0.651019    201.91      
1 1 1 13 6  40 o 10.2806 3.4496  -0.404954    0.503196  -0.675502    0.489991  2.98374     169.904     19.0455     169.904     
1 1 1 13 6  41 o 46.2529 3.40903 3.72242      0.819748  4.75653      0.768239  41.5619     284.406     2.83974     104.406     
1 1 1 13 6  42 o 17.9732 3.75257 1.47554      0.560253  -0.817588    0.514552  9.46121     277.278     10.3675     97.2779     
1 1 1 13 6  43 o 18.296  4.25718 -0.0975411   0.549614  1.22463      0.558191  7.82585     101.38      14.6065     281.38      
1 1 1 13 6  44 o 14.8935 4.18493 -0.288107    0.525042  0.688025     0.541226  7.42836     46.6312     0.786159    46.6313     
1 1 1 13 6  45 o 39.3945 3.77369 3.83616      0.75723   2.68428      0.725499  39.6578     122.046     8.3697      122.046     
1 1 1 13 6  46 o 13.9206 4.24678 0.368278     0.587249  -0.139214    0.549232  6.59068     159.857     0.871853    159.857     
1 1 1 13 6  47 o 12.2437 3.9139  0.29354      0.574747  -0.804906    0.556494  2.5         211.909     13.0207     31.9088     
1 1 1 13 6  48 o 22.8125 4.86625 0.862433     0.647388  1.74191      0.660868  17.9659     131.613     2.00667     311.613     
1 1 1 13 6  49 o 13.9822 4.30218 0.0532887    0.605111  0.344087     0.572816  1.85689     184.363     17.5667     4.3632      
1 1 1 13 6  50 o 18.9598 5.2003  1.46543      0.787691  0.392476     0.762258  14.2406     172.79      6.44716     172.79      
1 1 1 13 6  51 o 12.2817 3.99141 -0.633364    0.568237  0.338839     0.628498  3.5689      99.8656     1.47773     279.866     
1 1 1 13 6  52 o 12.7091 4.12402 -0.347252    0.602614  0.314385     0.648449  4.12089     4.87782     5.66564     184.878     
1 1 1 13 6  53 o 14.5804 4.49326 0.397919     0.655218  0.410812     0.621056  5.94873     16.5031     4.13767     196.503     
1 1 1 13 6  54 o 18.2564 4.90345 0.501629     0.676692  1.41206      0.683981  12.3185     2.44538     1.26748     2.44538     
1 1 1 13 6  55 o 13.7969 4.35615 -0.650856    0.687318  0.878393     0.698298  4.79954     60.8755     8.11776     240.875     
1 1 1 13 6  56 o 10.4602 3.69366 -1.2421      0.695656  -0.847741    0.879152  1.61666     124.955     2.89959     304.955     
1 1 1 13 7  0  o 224.495 2.27972 92.5026      2.65165   92.5026      2.65165   297.452     270         120.048     270         
1 1 1 13 7  1  o 116.154 2.37092 24.3038      1.47212   25.2891      1.3759    127.465     355.519     19.0599     355.519     
1 1 1 13 7  2  o 108.271 2.39549 22.4659      1.3937    20.6476      1.29241   115.614     180.348     12.611      180.348     
1 1 1 13 7  3  o 198.139 2.51918 71.0558      2.67487   73.169       2.49361   156.651     35.8768     101.516     215.877     
1 1 1 13 7  4  o 78.6492 2.7167  11.1186      1.14263   11.6703      1.06168   62.6814     28.2413     29.0682     208.241     
1 1 1 13 7  5  o 39.4627 3.53305 2.74799      0.727162  3.08082      0.679184  5.84241     198.228     48.954      18.2275     
1 1 1 13 7  6  o 39.8364 3.4861  3.51345      0.723125  2.46457      0.674217  10.8271     317.034     34.9506     137.034     
1 1 1 13 7  7  o 138.855 2.60046 35.893       1.87432   35.0106      1.86572   183.275     65.4513     84.3287     65.4513     
1 1 1 13 7  8  o 25.3827 4.27282 1.7612       0.561653  0.715455     0.590946  7.57984     335.008     30.2091     335.008     
1 1 1 13 7  9  o 80.1974 2.66416 12.6195      1.08719   11.098       1.11598   64.0077     14.5239     29.4884     194.524     
1 1 1 13 7  10 o 76.7494 2.55542 10.5692      1.02688   11.1308      0.99922   80.6256     62.0836     16.6853     62.0836     
1 1 1 13 7  11 o 103.892 2.37796 20.0395      1.2517    19.6594      1.30497   78.9456     268.075     52.3956     88.075      
1 1 1 13 7  12 o 106.655 2.48021 21.866       1.38533   20.0066      1.35255   25.1414     98.6091     168.012     278.609     
1 1 1 13 7  13 o 56.1169 2.92435 7.00274      0.860664  4.7555       0.812042  45.7429     220.457     2.60331     40.4568     
1 1 1 13 7  14 o 244.394 2.32739 111.374      2.96084   108.112      2.93585   297.967     47.6181     90.2957     47.6181     
1 1 1 13 7  15 o 87.4828 2.40974 15.0737      1.10348   13.1306      1.07563   70.8251     99.0407     31.4266     279.041     
1 1 1 13 7  16 o 100.156 2.35659 19.3217      1.23602   17.6054      1.20669   106.678     175.045     14.724      175.045     
1 1 1 13 7  17 o 50.1914 2.85062 4.65901      0.739823  4.67065      0.73097   36.6111     249.551     11.7783     69.5513     
1 1 1 13 7  18 o 16.8196 4.35405 0.563175     0.509511  0.255302     0.494645  42.1087     327.425     104.054     327.425     
1 1 1 13 7  19 o 28.4083 3.97111 2.12394      0.588209  1.0334       0.541507  2.28879     21.1923     19.3223     201.192     
1 1 1 13 7  20 o 128.916 2.31863 31.8903      1.56121   29.2582      1.53507   142.624     102.925     25.1932     102.925     
1 1 1 13 7  21 o 63.6221 2.67774 8.35748      0.896311  6.64452      0.856938  59.498      219.578     0.245411    39.5798     
1 1 1 13 7  22 o 56.3433 2.90854 5.64812      0.877089  6.11752      0.804085  52.6447     149.954     4.82984     149.954     
1 1 1 13 7  23 o 70.4645 2.78809 9.71223      1.02055   8.65799      1.00621   65.774      109.308     2.22481     289.308     
1 1 1 13 7  24 o 89.1124 2.65202 14.1948      1.21993   15.1333      1.22379   72.112      181.628     30.5985     1.62749     
1 1 1 13 7  25 o 70.1014 2.61295 9.92008      0.965849  8.28804      0.923829  73.1992     151.716     15.0883     151.716     
1 1 1 13 7  26 o 36.4893 3.46012 2.3731       0.646542  2.65523      0.625787  21.9307     156.548     4.20859     156.548     
1 1 1 13 7  27 o 138.322 2.36837 36.2553      1.71351   34.3508      1.68253   150.815     212.539     25.933      212.539     
1 1 1 13 7  28 o 46.3097 3.16213 3.9801       0.759446  4.05992      0.739359  53.843      7.80692     25.7078     7.80692     
1 1 1 13 7  29 o 93.144  2.81938 15.6026      1.3552    16.6642      1.36      95.1066     208.887     6.7188      208.887     
1 1 1 13 7  30 o 99.617  2.74563 18.7305      1.48496   18.1962      1.34326   98.4806     168.814     0.901605    168.814     
1 1 1 13 7  31 o 23.8498 4.38857 1.71232      0.612829  0.542722     0.555022  1.79759     90.9671     36.6367     270.967     
1 1 1 13 7  32 o 48.8647 2.95622 4.42798      0.751225  4.56592      0.731311  43.779      276.92      4.4127      96.9196     
1 1 1 13 7  33 o 56.1378 2.80215 6.13014      0.817978  5.72551      0.802084  38.3292     94.4647     31.1407     274.465     
1 1 1 13 7  34 o 26.9284 4.12078 1.17262      0.560118  1.73789      0.560816  22.0149     262.085     0.662099    82.0852     
1 1 1 13 7  35 o 58.2664 2.79617 5.93196      0.840928  6.9323       0.833018  69.6821     226.372     28.9336     226.372     
1 1 1 13 7  36 o 66.5637 2.88038 9.51004      1.01359   7.39095      0.958245  62.9675     347.811     1.59172     167.81      
1 1 1 13 7  37 o 77.695  3.34583 12.8172      1.38011   10.4806      1.29837   74.2248     279.329     0.436792    99.3286     
1 1 1 13 7  38 o 22.4668 4.63669 0.243054     0.649687  1.71109      0.658751  13.4719     126.995     12.2279     306.995     
1 1 1 13 7  39 o 53.8239 2.99655 4.83489      0.814417  6.37904      0.832604  46.9664     149.685     7.50653     329.685     
1 1 1 13 7  40 o 14.3903 4.22933 0.393444     0.524277  -0.144682    0.554968  3.48696     93.2589     0.0209986   273.259     
1 1 1 13 7  41 o 15.823  4.48698 0.585479     0.596396  0.0340646    0.553881  7.67541     333.133     7.62101     153.133     
1 1 1 13 7  42 o 59.932  3.11144 6.57235      0.983851  7.53541      0.925427  56.5179     169.745     1.6216      169.745     
1 1 1 13 7  43 f 15.4711 4.3196  -0.0108405   0.548648  0.617908     0.528634  7.83103     59.8255     0           0           
1 1 1 13 7  44 o 47.4493 3.32619 4.24817      0.803794  4.84541      0.807469  52.2373     133.201     18.1766     133.201     
1 1 1 13 7  45 o 19.5154 4.68312 1.18419      0.608526  0.487099     0.566745  11.9625     59.0424     8.39196     239.042     
1 1 1 13 7  46 o 13.9179 4.26641 0.0182746    0.566538  0.254885     0.576137  3.65903     306.232     14.2594     126.232     
1 1 1 13 7  47 f 26.9058 4.92956 2.29262      0.72443   1.30495      0.703017  20.1166     315.142     0           0           
1 1 1 13 7  48 o 9.33101 3.22599 -0.609514    0.502795  -0.946481    0.54002   0.489748    261.968     2.84888     81.9679     
1 1 1 13 7  49 o 12.7521 4.03615 0.592388     0.640267  -1.03571     0.560643  4.46981     270.856     3.06422     90.8558     
1 1 1 13 7  50 o 18.8756 4.51836 1.91642      0.724791  -0.630866    0.681491  14.9143     96.6556     2.34937     96.6556     
1 1 1 13 7  51 o 13.929  4.35129 0.0945882    0.587761  0.405839     0.647163  6.40865     30.0799     4.95595     210.08      
1 1 1 13 7  52 o 19.4787 4.75754 1.71765      0.680227  0.352009     0.632979  15.1742     7.86113     5.66995     7.86113     
1 1 1 13 7  53 o 16.2197 4.81293 0.873035     0.666497  0.422301     0.736062  8.03246     234.455     0.0288823   54.4553     
1 1 1 13 7  54 o 14.3303 4.50527 1.24235      0.813266  -1.04282     0.653845  1.98796     127.908     0.180592    127.908     
1 1 1 13 7  55 o 15.2626 4.60861 -0.358771    0.70473   1.21706      0.727321  8.1176      306.014     0.811963    306.014     
1 1 1 13 7  56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 8  0  o 179.433 2.60276 59.1553      2.41856   59.1553      2.41856   252.717     90          127.361     90          
1 1 1 13 8  1  f 298.206 2.68405 163.943      3.97603   162.895      4.31378   258.13      343.996     0           0           
1 1 1 13 8  2  f 228.359 2.4372  96.2224      2.88462   95.3505      2.88523   249.389     112.992     0           0           
1 1 1 13 8  3  o 133.415 2.42114 33.002       1.67498   32.4307      1.67097   121.681     60.2633     30.8177     240.263     
1 1 1 13 8  4  o 257.691 2.49718 126.505      3.34703   117.565      3.32176   319.886     19.1937     102.066     19.1937     
1 1 1 13 8  5  o 75.0953 2.59549 10.7039      1.0078    10.0753      1.00606   82.0734     331.505     25.534      331.505     
1 1 1 13 8  6  o 118.488 2.43945 25.3654      1.49513   26.2652      1.49797   84.113      142.205     74.3922     322.205     
1 1 1 13 8  7  o 123.345 2.44557 28.4036      1.566     27.545       1.55799   118.125     81.4135     15.1564     261.414     
1 1 1 13 8  8  o 143.089 2.41335 38.3027      1.79642   36.933       1.78338   153.179     98.9711     13.3606     98.9711     
1 1 1 13 8  9  o 73.8012 2.65678 10.3158      1.0223    9.76356      1.00358   47.8629     42.1705     48.1998     222.17      
1 1 1 13 8  10 o 161.893 2.51435 47.2372      2.18074   49.1061      2.03318   226.078     55.2723     122.986     55.2723     
1 1 1 13 8  11 o 152.566 2.53327 43.3528      2.08111   42.2134      1.92444   196.626     78.1427     83.0808     78.1427     
1 1 1 13 8  12 o 204.897 2.96845 78.2054      3.45099   76.3054      2.8309    207.434     108.792     8.25267     288.792     
1 1 1 13 8  13 o 102.616 2.74855 20.5259      1.59637   18.2943      1.32148   47.4405     189.101     113.055     9.10115     
1 1 1 13 8  14 o 72.5652 2.76836 10.3036      1.09626   9.14092      0.979573  72.7226     98.4418     9.33029     98.4418     
1 1 1 13 8  15 o 117.288 2.40251 26.4517      1.43042   24.1802      1.48273   81.5952     88.1641     74.8994     268.164     
1 1 1 13 8  16 o 166.872 2.35551 49.9202      1.98131   52.4448      2.09399   139.337     93.4462     63.155      273.446     
1 1 1 13 8  17 o 41.494  3.14662 3.5828       0.668583  2.85298      0.657224  25.2472     322.128     10.1418     142.128     
1 1 1 13 8  18 o 127.97  2.38437 28.7682      1.5428    31.5133      1.61781   117.001     149.46      25.1331     329.46      
1 1 1 13 8  19 o 61.2223 2.68069 7.41293      0.855651  6.45075      0.835503  45.0433     5.12808     26.4269     185.128     
1 1 1 13 8  20 o 188.828 2.31753 66.1756      2.27758   64.9514      2.25924   228.222     108.583     73.1337     108.583     
1 1 1 13 8  21 o 178.229 2.31635 60.5253      2.15417   56.353       2.12471   182.954     274.518     4.82193     274.518     
1 1 1 13 8  22 o 83.5795 2.47761 12.3331      1.0722    13.4392      1.06811   80.2663     18.706      1.73784     198.706     
1 1 1 13 8  23 o 77.7323 2.53484 10.033       1.00941   12.3338      1.02049   99.0705     19.9953     56.9505     19.9953     
1 1 1 13 8  24 f 11.2765 3.5093  -1.34045     0.453422  0.245447     0.479572  25.681      247.235     0           0           
1 1 1 13 8  25 o 45.7122 3.27948 3.6572       0.763186  4.17053      0.766664  33.9759     33.0396     12.5775     213.04      
1 1 1 13 8  26 o 133.72  2.46672 32.5028      1.63638   33.5515      1.77921   164.271     112.889     63.0385     112.889     
1 1 1 13 8  27 o 21.5705 4.28925 0.424741     0.534866  1.32216      0.534473  4.29912     210.365     5.30949     30.3649     
1 1 1 13 8  28 o 67.4829 2.96451 7.99478      1.02538   9.00284      1.03604   87.0924     224.521     45.5085     224.521     
1 1 1 13 8  29 o 87.2848 2.65166 13.7444      1.19812   14.5852      1.19482   73.8631     29.279      23.7379     209.279     
1 1 1 13 8  30 o 49.2602 3.03964 4.54393      0.797477  4.58036      0.73759   64.9083     306.22      49.1894     306.22      
1 1 1 13 8  31 o 24.3092 4.534   1.01698      0.601883  1.32641      0.565267  13.6988     220.314     0.134518    40.3141     
1 1 1 13 8  32 o 23.8778 4.31617 1.18617      0.541971  1.08713      0.530829  15.1114     287.216     3.91307     107.216     
1 1 1 13 8  33 o 16.7662 4.3058  0.285211     0.497467  0.616103     0.487116  3.21732     245.905     14.2836     65.9048     
1 1 1 13 8  34 o 29.7901 3.95472 1.8299       0.594928  1.69352      0.581595  31.5104     282.111     13.9277     282.111     
1 1 1 13 8  35 f 41.4594 3.45688 4.25077      0.744659  2.5242       0.682294  14.6632     52.5511     0           0           
1 1 1 13 8  36 o 17.9323 4.22559 0.0441392    0.524302  1.00289      0.509841  10.973      253.037     4.39425     73.0374     
1 1 1 13 8  37 o 30.2691 4.63136 1.8978       0.717036  1.89072      0.694013  34.4023     287.938     16.3315     287.938     
1 1 1 13 8  38 f 63.1834 3.03486 7.35744      0.994508  8.00055      0.979255  46.716      286.219     0           0           
1 1 1 13 8  39 o 22.3532 4.56873 1.15271      0.56828   0.950682     0.552721  17.1888     288.461     3.28456     108.461     
1 1 1 13 8  40 o 13.5825 4.09909 0.203585     0.516396  -0.0545103   0.510717  5.02517     185.135     4.10913     5.13457     
1 1 1 13 8  41 o 21.5904 4.23802 1.75628      0.594126  0.0247291    0.6091    12.416      34.0626     12.1088     214.063     
1 1 1 13 8  42 o 41.4949 3.80262 3.58646      0.796703  3.45249      0.800239  44.1457     269.635     13.1288     269.635     
1 1 1 13 8  43 o 13.2043 3.96685 0.457375     0.529317  -0.545788    0.50622   5.08774     330.799     1.96358     150.799     
1 1 1 13 8  44 o 26.3358 4.58703 1.01452      0.639062  2.1515       0.65564   21.317      288.062     3.06523     108.061     
1 1 1 13 8  45 o 25.5736 4.43249 0.673959     0.628718  2.37117      0.658114  23.2357     132.289     2.79116     132.289     
1 1 1 13 8  46 o 14.4055 4.16647 0.725258     0.567599  -0.366775    0.522797  6.07608     340.886     9.94697     160.886     
1 1 1 13 8  47 o 20.4227 4.64675 1.58468      0.637934  0.389932     0.599551  17.9375     250.084     4.01051     250.084     
1 1 1 13 8  48 o 14.7337 4.43164 0.589528     0.619664  -0.00459294  0.594315  4.93078     297.543     1.29116     297.543     
1 1 1 13 8  49 o 15.0664 4.66079 -0.193334    0.667889  0.757189     0.754461  8.07455     341.931     0.151654    161.931     
1 1 1 13 8  50 o 31.0847 5.26812 2.20145      0.774261  3.13827      0.908663  25.4567     146.7       1.8443      326.7       
1 1 1 13 8  51 o 11.1155 3.74894 0.164228     0.646324  -1.11246     0.562124  1.76354     205.024     7.83083     25.0244     
1 1 1 13 8  52 o 16.6689 4.81152 0.838418     0.674068  0.644716     0.641706  9.12754     266.48      0.962629    266.48      
1 1 1 13 8  53 o 23.118  5.16635 1.96408      0.723872  1.28101      0.692429  20.0173     43.6453     6.24776     43.6453     
1 1 1 13 8  54 o 11.4734 3.8925  -0.389081    0.693723  -0.263852    0.64511   1.03221     28.6169     1.10046     208.617     
1 1 1 13 8  55 o 18.2033 4.9542  1.50235      0.703221  0.543992     0.703719  10.9854     346.231     4.92268     166.231     
1 1 1 13 9  0  o 106.691 2.69811 20.9727      1.48784   20.9727      1.48784   172.667     270         123.275     270         
1 1 1 13 9  1  o 119.115 2.65506 26.8313      1.64586   25.3874      1.62824   77.7399     262.432     88.2722     82.4315     
1 1 1 13 9  2  o 50.219  3.05924 4.65215      0.759863  4.69567      0.816477  30.1415     319.609     8.60238     319.609     
1 1 1 13 9  3  f 62.0006 2.63841 7.31875      0.807617  6.86653      0.875953  127.442     95.9586     0           0           
1 1 1 13 9  4  o 156.343 2.32468 46.0863      1.81868   43.7268      1.94292   166.009     122.13      10.8603     122.13      
1 1 1 13 9  5  o 79.9053 2.37865 12.0123      0.983728  11.4913      0.981985  91.8638     13.3724     35.0647     13.3724     
1 1 1 13 9  6  o 146.076 2.25359 39.5695      1.70937   38.8175      1.7034    128.983     307.863     41.9159     127.863     
1 1 1 13 9  7  o 41.2172 3.10906 4.28392      0.643348  2.21282      0.611995  6.7738      245.77      53.5718     65.7697     
1 1 1 13 9  8  o 56.1317 2.62706 5.11475      0.752833  6.56536      0.758455  18.4425     229.835     68.3913     49.8349     
1 1 1 13 9  9  o 199.464 2.36595 74.107       2.36326   72.1005      2.52401   240.621     129.265     70.7896     129.265     
1 1 1 13 9  10 o 189.193 2.36072 65.9281      2.23633   65.6075      2.39098   232.443     294.037     76.7481     294.037     
1 1 1 13 9  11 o 139.418 2.38364 37.7453      1.67306   33.7677      1.76043   177.519     168.469     73.8522     168.469     
1 1 1 13 9  12 o 15.454  4.29805 0.429643     0.495463  -0.0222606   0.547492  19.5981     288.92      46.8624     288.92      
1 1 1 13 9  13 o 112.222 2.75794 24.0483      1.61691   22.3537      1.58621   115.852     134.897     6.69464     134.897     
1 1 1 13 9  14 o 57.873  3.2283  6.51997      0.970772  5.90297      0.949498  39.5362     171.949     28.2787     351.949     
1 1 1 13 9  15 o 175.662 2.38134 56.946       2.24957   56.4826      2.08461   217.723     216.235     77.7129     216.235     
1 1 1 13 9  16 o 92.1068 2.40266 14.6921      1.14655   16.5689      1.1402    114.106     163.635     49.2926     163.635     
1 1 1 13 9  17 o 71.0756 2.61364 9.62151      0.998499  9.01964      0.920936  72.3605     203.125     9.04034     203.125     
1 1 1 13 9  18 o 18.8185 4.29261 0.203535     0.539527  0.943432     0.490608  22.3044     88.9859     64.9275     88.9859     
1 1 1 13 9  19 o 43.6175 3.14056 3.11788      0.707579  3.99773      0.67797   32.2753     34.7818     1.83506     214.782     
1 1 1 13 9  20 o 48.2533 3.0032  4.76151      0.766252  3.91048      0.718923  20.9667     252.698     46.1128     72.6978     
1 1 1 13 9  21 o 72.8636 2.68688 10.7637      1.02267   8.8961       0.995238  54.6943     135.28      31.0839     315.28      
1 1 1 13 9  22 o 99.7303 2.4553  17.8325      1.23609   18.855       1.29886   102.801     167.246     10.3538     167.246     
1 1 1 13 9  23 o 24.803  4.31425 1.17093      0.552604  1.21185      0.549072  1.17006     25.0078     23.8775     25.0078     
1 1 1 13 9  24 o 79.0741 2.56437 10.8961      1.02394   12.2453      1.07223   88.064      331.295     24.3075     331.295     
1 1 1 13 9  25 f 29.0022 4.04992 2.93723      0.65998   0.550325     0.571903  37.8652     183.194     0           0           
1 1 1 13 9  26 o 33.645  4.11623 1.84282      0.680994  2.54043      0.695752  3.62855     297.017     54.9472     117.017     
1 1 1 13 9  27 o 97.0973 2.70071 16.2989      1.29066   18.7466      1.4237    100.619     149.054     9.93056     149.054     
1 1 1 13 9  28 o 60.0617 2.89764 6.62728      0.905872  6.85171      0.886922  46.7869     128.084     22.4456     308.084     
1 1 1 13 9  29 o 28.1265 4.16773 1.87335      0.609901  1.25334      0.569598  18.4814     27.9527     7.24225     27.9527     
1 1 1 13 9  30 o 18.5417 4.12889 1.18693      0.555725  -0.0352246   0.464396  3.38341     260.522     12.4364     80.5218     
1 1 1 13 9  31 o 38.4636 3.60572 3.2044       0.705116  2.50671      0.689149  37.3588     299.272     5.68995     299.272     
1 1 1 13 9  32 o 75.984  2.56954 10.8256      1.01645   10.7988      1.00177   89.2238     225.277     32.4013     225.277     
1 1 1 13 9  33 o 23.921  4.30799 1.11561      0.547044  1.19354      0.524802  19.8537     310.842     4.45        310.842     
1 1 1 13 9  34 o 57.3675 2.94981 6.21078      0.880092  6.30927      0.86196   43.7223     228.783     22.2224     48.7834     
1 1 1 13 9  35 o 59.0827 2.91772 6.13851      0.889416  7.17995      0.880958  64.3966     195.109     16.6399     195.109     
1 1 1 13 9  36 o 58.2738 3.06875 5.54702      0.902751  7.53908      0.921995  50.4762     269.462     9.83137     89.4615     
1 1 1 13 9  37 o 31.7592 4.62232 2.07901      0.747845  2.10565      0.723205  20.6564     191.371     16.9226     11.3713     
1 1 1 13 9  38 o 26.9439 4.42385 1.53556      0.648374  1.4976       0.563914  18.198      202.847     11.7679     22.8466     
1 1 1 13 9  39 o 36.2433 3.69897 3.01686      0.683877  2.28555      0.657486  41.8901     204.125     18.8594     204.125     
1 1 1 13 9  40 o 14.3644 3.891   0.742432     0.501949  -0.577655    0.472731  6.66498     199.27      3.43838     19.2698     
1 1 1 13 9  41 o 16.9145 4.3219  0.00329318   0.530966  0.911496     0.539372  8.43866     1.33859     9.36866     181.339     
1 1 1 13 9  42 o 59.3689 3.16701 6.78185      0.921556  7.18357      1.01289   63.88       158.214     18.494      158.214     
1 1 1 13 9  43 o 17.8716 4.74663 0.539858     0.637159  0.711388     0.565232  10.5203     29.0989     7.37901     209.099     
1 1 1 13 9  44 o 15.1994 4.25902 -0.142768    0.549941  0.702472     0.534599  9.56168     240.796     1.68841     60.7958     
1 1 1 13 9  45 o 13.4358 4.1186  -0.0105804   0.528743  0.23737      0.537475  6.54868     339.811     0.303828    339.811     
1 1 1 13 9  46 o 13.3083 4.15726 -0.050226    0.534273  0.206762     0.592535  3.5559      79.6315     12.9316     259.632     
1 1 1 13 9  47 o 13.4334 4.25418 0.343626     0.63776   -0.343303    0.612594  5.38822     328.676     7.0505      148.676     
1 1 1 13 9  48 o 23.6873 5.1197  1.20133      0.740032  1.81577      0.682333  20.9843     211.855     4.3272      211.855     
1 1 1 13 9  49 o 13.7409 4.39868 -0.194399    0.685416  0.337195     0.680163  4.68725     268.642     9.5085      88.6425     
1 1 1 13 9  50 o 13.5474 4.21414 -0.592361    0.627621  0.65969      0.622791  3.85736     248.617     0.310481    248.617     
1 1 1 13 9  51 o 13.9179 4.35786 0.383664     0.603078  0.128818     0.652784  5.52626     294.484     3.67261     114.484     
1 1 1 13 9  52 o 22.5589 5.11912 1.55026      0.692428  1.48         0.664007  19.497      64.1412     8.57661     64.1412     
1 1 1 13 9  53 o 16.6529 4.88034 0.812663     0.704475  0.761907     0.674893  9.68719     347.667     1.35292     167.667     
1 1 1 13 9  54 o 14.5704 4.57833 0.0953676    0.74199   0.710246     0.68575   7.20711     61.4584     2.12023     241.458     
1 1 1 13 9  55 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 10 0  o 82.578  2.61227 12.591       1.11308   12.591       1.11308   90.3131     270         8.49037     270         
1 1 1 13 10 1  o 245.062 2.58998 111.947      3.15709   108.848      3.41383   285.633     7.65642     64.1584     7.65642     
1 1 1 13 10 2  o 97.5221 2.50022 17.4193      1.26956   17.5835      1.2539    136.155     34.4811     93.4669     34.4811     
1 1 1 13 10 3  o 56.5423 2.79602 6.03296      0.814472  5.78458      0.8139    25.311      48.9203     54.1906     228.92      
1 1 1 13 10 4  o 68.8297 2.47274 9.65469      0.886672  7.8494       0.866655  70.8923     228.018     18.7024     228.018     
1 1 1 13 10 5  f 171.82  2.24463 55.2018      2.00698   53.2652      1.99113   168.077     244.322     0           0           
1 1 1 13 10 6  o 63.6344 2.5111  7.29617      0.82895   7.63704      0.820507  49.2046     99.525      19.2335     279.525     
1 1 1 13 10 7  o 97.0051 2.31697 16.9851      1.16604   17.6342      1.16029   57.1452     183.072     80.7058     3.07242     
1 1 1 13 10 8  o 27.9721 3.75404 1.64056      0.529854  1.34667      0.518347  17.329      206.656     72.7657     206.656     
1 1 1 13 10 9  o 171.604 2.25924 55.8008      2.02469   52.4251      1.99397   180.061     25.8124     8.94406     25.8124     
1 1 1 13 10 10 o 195.036 2.28416 72.0989      2.32039   67.7135      2.29708   177.805     255.361     45.0641     75.3611     
1 1 1 13 10 11 o 233.994 2.32076 102.648      2.82394   98.5936      2.80539   218.592     15.6081     44.3292     195.608     
1 1 1 13 10 12 o 89.5518 2.38683 14.6301      1.10103   14.8899      1.11095   68.9245     153.995     40.0987     333.995     
1 1 1 13 10 13 o 46.1544 3.38419 3.25489      0.753459  4.75335      0.831113  30.7592     0.013915    15.5856     180.014     
1 1 1 13 10 14 o 144.273 2.60845 38.1941      1.86631   38.4015      2.03017   184.198     196.299     77.635      196.299     
1 1 1 13 10 15 o 142.143 2.49969 37.3613      1.84496   36.9528      1.83864   122.837     120.304     42.778      300.304     
1 1 1 13 10 16 o 223.262 2.50876 95.2042      2.91965   88.2353      2.88518   216.712     301         22.1355     120.999     
1 1 1 13 10 17 o 105.322 2.47825 20.356       1.40327   20.5029      1.29637   88.3975     159.652     33.4947     339.652     
1 1 1 13 10 18 o 89.38   2.43843 13.9754      1.13235   15.4828      1.11993   76.692      59.0375     22.4945     239.038     
1 1 1 13 10 19 o 94.5457 2.4051  17.1697      1.19058   15.784       1.16242   82.3872     47.8778     21.4572     227.878     
1 1 1 13 10 20 o 32.8393 3.57737 1.84263      0.59401   2.2494       0.578568  5.86027     19.5434     35.1226     199.543     
1 1 1 13 10 21 o 185.84  2.31897 61.8815      2.23048   65.314       2.23626   212.274     277.848     51.6827     277.848     
1 1 1 13 10 22 o 59.7238 2.66061 6.07956      0.817165  7.15601      0.817423  48.7041     211.326     14.2598     31.3263     
1 1 1 13 10 23 o 56.3429 2.74925 5.29922      0.798715  6.51724      0.789156  47.9148     258.947     9.47636     78.9468     
1 1 1 13 10 24 o 31.7621 3.95634 1.54802      0.634053  2.36084      0.604791  9.92475     166.416     77.977      166.416     
1 1 1 13 10 25 o 129.505 2.56914 31.5235      1.77944   30.5744      1.666     154.5       68.9661     52.1172     68.9661     
1 1 1 13 10 26 o 141.668 2.54277 36.2434      1.98582   38.116       1.72983   178.224     281.462     76.0684     281.462     
1 1 1 13 10 27 o 64.7308 3.30972 7.91539      1.09822   7.82177      1.10773   72.1372     93.891      20.3934     93.891      
1 1 1 13 10 28 o 34.3194 4.16291 2.40115      0.669293  2.17994      0.752059  28.2243     166.976     3.04885     346.976     
1 1 1 13 10 29 o 53.8806 2.9057  5.7164       0.786894  5.19446      0.820141  55.0503     309.338     8.62108     309.338     
1 1 1 13 10 30 o 25.6202 4.27722 2.0172       0.614461  0.647524     0.568267  17.7403     175.871     3.7601      355.871     
1 1 1 13 10 31 o 30.798  4.11049 1.84452      0.645336  1.90906      0.618519  25.9639     79.7565     1.53998     259.756     
1 1 1 13 10 32 o 41.4403 3.14574 3.44964      0.672273  3.12333      0.657275  43.5632     335.72      10.6836     335.72      
1 1 1 13 10 33 o 19.8354 4.49651 0.788076     0.547405  0.756271     0.499564  3.83918     82.167      42.5717     82.167      
1 1 1 13 10 34 o 54.5838 3.03283 5.59044      0.861767  5.80225      0.839737  50.4833     311.22      2.62391     131.221     
1 1 1 13 10 35 o 30.7375 3.9983  2.47146      0.612809  1.38378      0.601379  28.5721     297.653     1.5659      297.652     
1 1 1 13 10 36 f 26.0732 4.51968 1.79439      0.62723   1.04946      0.605209  42.4225     167.82      0           0           
1 1 1 13 10 37 o 21.1149 4.26431 1.75205      0.635184  -0.169794    0.593352  15.0153     140.299     5.33396     320.299     
1 1 1 13 10 38 o 21.7025 4.58739 1.17968      0.570043  0.80494      0.553254  20.1428     200.407     8.19592     200.407     
1 1 1 13 10 39 o 39.1389 3.68696 4.10421      0.721715  2.18877      0.682253  36.7859     302.053     2.14329     302.053     
1 1 1 13 10 40 o 45.3369 3.32295 4.79289      0.785987  3.42412      0.740068  45.3893     38.851      7.7721      38.851      
1 1 1 13 10 41 o 14.0825 4.18087 -0.0325096   0.530496  0.331101     0.519199  6.30735     275.171     4.60021     95.1707     
1 1 1 13 10 42 o 35.4269 4.1734  2.63942      0.71232   2.70969      0.765946  23.2853     293.892     17.4102     113.892     
1 1 1 13 10 43 o 45.6838 3.81725 3.82574      0.867835  4.95691      0.89185   44.1772     292.781     5.6614      292.781     
1 1 1 13 10 44 o 9.32418 3.21754 -0.674957    0.545267  -0.77844     0.454268  2.16894     155.363     16.5483     155.363     
1 1 1 13 10 45 o 48.176  3.61413 4.40028      0.897147  5.49554      0.859058  42.2328     228.775     2.27002     48.7753     
1 1 1 13 10 46 o 17.5164 4.68498 0.564486     0.591431  0.821608     0.583966  9.25844     7.6201      9.20978     187.62      
1 1 1 13 10 47 o 47.9272 3.67767 5.94413      0.903183  4.21055      0.869807  53.0825     237.592     21.8499     237.592     
1 1 1 13 10 48 o 16.5392 4.69996 0.942857     0.675741  0.317971     0.573692  10.0139     299.451     3.33112     119.451     
1 1 1 13 10 49 o 29.5027 5.42498 1.99124      0.846915  3.01866      0.864959  26.0343     209.38      2.82875     209.38      
1 1 1 13 10 50 o 18.1659 5.00568 1.2965       0.698331  0.503767     0.736513  12.9122     109.787     2.42102     109.787     
1 1 1 13 10 51 o 17.8611 4.87262 0.597182     0.661315  1.18568      0.656142  8.38257     146.944     9.39872     326.944     
1 1 1 13 10 52 o 18.9752 4.97652 0.795409     0.674674  1.34665      0.664562  13.4139     35.2855     1.81142     35.2855     
1 1 1 13 10 53 o 11.74   3.89793 -0.425616    0.636068  0.106953     0.591917  2.33504     258.109     2.44939     78.1092     
1 1 1 13 10 54 o 10.6683 3.65061 -0.789364    0.664733  -0.227863    0.59371   1.97503     32.9938     3.38992     212.994     
1 1 1 13 11 0  o 36.5783 3.15232 2.56461      0.574038  2.56461      0.574038  12.9489     270         18.5937     90          
1 1 1 13 11 1  o 32.6925 3.58192 1.64024      0.597772  2.42887      0.550615  1.79584     89.5332     4.82411     269.533     
1 1 1 13 11 2  o 216.786 2.45039 86.123       2.75575   86.6242      2.75137   239.58      229.594     33.4975     229.594     
1 1 1 13 11 3  o 78.5105 2.61479 10.5389      1.05729   12.2078      1.06077   72.234      53.8659     6.8839      233.866     
1 1 1 13 11 4  o 259.279 2.42081 122.326      3.1359    124.774      3.36908   275.936     194.792     17.4728     194.792     
1 1 1 13 11 5  o 291.52  2.38538 158.729      3.61347   153.639      3.59527   329.378     342.871     57.622      342.871     
1 1 1 13 11 6  o 32.3424 3.42651 2.05181      0.55985   1.88957      0.553219  2.42953     249.213     50.7946     249.213     
1 1 1 13 11 7  o 116.168 2.29831 24.2368      1.3812    25.4001      1.38349   118.092     40.0453     2.92457     40.0454     
1 1 1 13 11 8  o 159.351 2.26702 45.0262      1.87177   48.3128      1.87165   165.254     209.908     6.02737     209.908     
1 1 1 13 11 9  f 172.764 2.2622  57.0915      2.03711   52.6343      2.01304   120.846     63.7924     0           0           
1 1 1 13 11 10 o 12.7845 3.7758  -0.087849    0.418916  0.166602     0.425883  18.7448     339.1       43.0814     339.1       
1 1 1 13 11 11 o 222.095 2.31572 92.6513      2.67268   88.6788      2.6586    267.94      335.293     82.173      335.293     
1 1 1 13 11 12 o 23.4661 4.08997 1.44923      0.517363  0.67815      0.50036   13.7667     0.783949    56.8432     0.783949    
1 1 1 13 11 13 o 19.2883 4.5525  0.528716     0.560141  0.755651     0.517966  11.2848     283.63      36.5625     283.63      
1 1 1 13 11 14 o 39.6928 3.45909 3.51464      0.711089  2.43718      0.668543  17.8076     118.039     4.34949     118.039     
1 1 1 13 11 15 o 40.4064 3.16552 3.6934       0.655396  2.46384      0.629249  13.3128     59.6956     43.0536     239.696     
1 1 1 13 11 16 o 130.405 2.43056 30.8541      1.56741   31.7648      1.71422   165.191     158.376     71.2618     158.376     
1 1 1 13 11 17 o 85.5452 2.66275 13.0475      1.17154   13.9671      1.18349   100.991     359.632     38.7786     359.632     
1 1 1 13 11 18 o 131.022 2.52691 32.2613      1.71726   31.021       1.71151   138.063     311.365     15.3348     311.365     
1 1 1 13 11 19 o 94.5317 2.51929 16.7779      1.2882    16.199       1.17542   107.787     124.274     32.9367     124.274     
1 1 1 13 11 20 o 30.4421 3.73443 1.79705      0.576809  1.73872      0.559099  8.37041     135.346     9.918       315.346     
1 1 1 13 11 21 o 74.1824 2.534   9.58097      0.97207   10.7863      0.968024  61.2061     256.305     21.0994     76.3046     
1 1 1 13 11 22 o 41.8534 3.06645 3.76971      0.665007  2.82198      0.637781  4.12618     29.4945     70.2474     209.494     
1 1 1 13 11 23 o 71.967  2.65389 9.13736      0.986575  10.0839      0.984616  52.0821     167.082     36.5685     347.082     
1 1 1 13 11 24 o 13.2602 3.89502 0.144646     0.455403  0.0299647    0.427161  9.00027     296.986     30.3951     296.986     
1 1 1 13 11 25 o 26.6121 3.97689 1.16472      0.536356  1.60318      0.527644  12.4729     323.209     18.6565     143.209     
1 1 1 13 11 26 o 71.4763 2.68847 8.27569      1.00498   10.8373      0.958191  85.5753     170.774     33.9977     170.774     
1 1 1 13 11 27 o 23.4932 4.18915 0.346339     0.598088  1.75109      0.546172  5.06684     233.922     27.985      53.9221     
1 1 1 13 11 28 o 43.5115 3.56998 3.68487      0.800657  3.54809      0.779914  52.0529     286.189     28.3843     286.189     
1 1 1 13 11 29 o 45.0861 3.14723 3.4508       0.694918  4.28528      0.755392  58.8813     141.258     40.6855     141.258     
1 1 1 13 11 30 o 22.3712 4.60041 0.876708     0.598357  1.11159      0.54195   9.92113     16.1478     16.402      196.148     
1 1 1 13 11 31 o 21.6964 4.58153 0.920855     0.553096  0.963691     0.556123  12.6209     177.42      9.27744     357.42      
1 1 1 13 11 32 o 88.5885 2.66279 14.5067      1.23686   15.0817      1.20169   89.1801     172.172     7.89156     172.172     
1 1 1 13 11 33 o 16.4935 4.36606 0.472542     0.524541  0.406694     0.482042  7.50664     62.6417     8.10683     242.642     
1 1 1 13 11 34 o 41.4469 3.49746 2.51087      0.70493   4.29907      0.719956  36.0956     304.598     5.33317     124.598     
1 1 1 13 11 35 f 34.4419 3.72993 1.99581      0.62285   2.74265      0.658922  39.504      108.868     0           0           
1 1 1 13 11 36 o 18.1961 4.58688 0.412094     0.559073  0.797568     0.552747  10.9389     79.5626     6.72998     259.563     
1 1 1 13 11 37 o 21.2682 4.7496  1.38092      0.649179  0.491765     0.582982  10.7673     174.517     14.9107     354.517     
1 1 1 13 11 38 o 33.9136 3.89363 2.58879      0.65554   2.11136      0.660666  25.9892     76.5937     9.57175     256.594     
1 1 1 13 11 39 o 51.972  3.42373 4.87149      0.799827  5.90944      1.02382   54.4084     86.142      13.1876     86.142      
1 1 1 13 11 40 o 15.7858 4.38978 0.728328     0.598495  -0.0272286   0.501014  9.2842      145.096     0.844574    325.096     
1 1 1 13 11 41 o 28.7796 4.33992 1.59733      0.634575  2.0028       0.621858  27.2322     62.215      4.48696     62.215      
1 1 1 13 11 42 o 31.5881 4.37181 1.32605      0.693521  3.19177      0.68572   25.2931     193.469     5.44067     13.4687     
1 1 1 13 11 43 o 46.7695 3.34171 4.66355      0.806403  4.32683      0.791161  49.2118     338.028     14.1795     338.028     
1 1 1 13 11 44 o 10.8882 3.675   -0.445015    0.563196  -0.609493    0.597759  2.74502     351.342     1.99046     171.342     
1 1 1 13 11 45 o 39.096  4.10268 2.68694      0.800479  4.18916      0.752645  40.2493     87.4748     11.7383     87.4748     
1 1 1 13 11 46 o 9.57812 3.2754  -0.835013    0.520461  -0.402716    0.483044  2.56062     193.972     17.0383     193.972     
1 1 1 13 11 47 o 11.0459 3.67254 -0.475921    0.550179  -0.14057     0.534384  1.62181     187.502     8.88597     7.50224     
1 1 1 13 11 48 o 15.2864 4.52093 -0.0953085   0.684255  0.804439     0.612236  7.2485      336.21      2.06523     336.21      
1 1 1 13 11 49 o 17.0815 4.74147 1.24159      0.67464   0.146389     0.656041  11.0819     158.224     1.20031     338.224     
1 1 1 13 11 50 o 21.3556 5.52802 1.53038      0.790493  1.43855      0.809375  14.0538     254.971     4.39575     74.9706     
1 1 1 13 11 51 o 14.9521 4.46977 0.780613     0.619868  0.102033     0.616486  6.57294     129.361     2.24905     309.361     
1 1 1 13 11 52 o 18.9723 4.82181 1.79052      0.713665  0.297899     0.649532  13.3483     322.873     6.09112     322.873     
1 1 1 13 11 53 o 13.0695 4.16092 -0.595837    0.651134  0.652865     0.630568  4.07986     26.3831     0.488703    206.383     
1 1 1 13 11 54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 12 0  o 151.316 2.25912 42.0711      1.77019   42.0711      1.77019   173.333     270         34.354      270         
1 1 1 13 12 1  o 86.1202 2.36797 14.2329      1.05978   13.0806      1.04934   53.4672     300.268     64.1697     120.268     
1 1 1 13 12 2  o 267.688 2.43221 129.696      3.4923    133.741      3.24869   302.487     288.337     55.7104     288.337     
1 1 1 13 12 3  o 127.116 2.48308 28.2375      1.63314   31.255       1.6328    140.888     213.726     26.2198     213.726     
1 1 1 13 12 4  o 200.926 2.44496 73.0728      2.54901   75.3563      2.54338   180.102     17.0992     50.8397     197.099     
1 1 1 13 12 5  o 73.8624 2.55407 10.1044      0.948301  10.0066      1.00052   69.9812     253.339     1.68425     73.3385     
1 1 1 13 12 6  o 206.478 2.28387 77.0846      2.44629   79.6136      2.44201   212.128     48.5984     2.4955      48.5983     
1 1 1 13 12 7  o 21.4551 4.08906 1.07814      0.483219  0.682944     0.45759   10.2906     76.6976     38.4668     76.6976     
1 1 1 13 12 8  o 63.9276 2.54616 8.07421      0.849758  7.02276      0.829015  63.5115     128.573     8.44143     128.573     
1 1 1 13 12 9  o 127.561 2.29015 30.3965      1.52174   29.4601      1.50435   109.888     337.797     37.7038     157.797     
1 1 1 13 12 10 o 70.3622 2.4849  9.08972      0.910254  9.1657       0.89651   46.5797     200.889     43.7393     20.8892     
1 1 1 13 12 11 o 136.352 2.30515 34.5192      1.63377   33.8426      1.62471   143.167     72.4706     12.1474     72.4706     
1 1 1 13 12 12 o 105.2   2.35924 21.1397      1.29668   19.6196      1.27256   112.676     220.82      17.2353     220.82      
1 1 1 13 12 13 o 121.16  2.52943 25.1174      1.58089   29.0271      1.5869    109.735     91.2075     22.8192     271.208     
1 1 1 13 12 14 o 58.2125 2.89876 6.35278      0.877519  6.19919      0.860719  44.843      237.322     17.7052     57.3217     
1 1 1 13 12 15 o 90.6207 2.41393 14.9654      1.14174   15.3041      1.12161   86.7077     165.099     3.32287     345.099     
1 1 1 13 12 16 o 150.357 2.29894 40.9271      1.79592   42.2839      1.7871    135.337     2.02485     30.4114     182.025     
1 1 1 13 12 17 o 59.052  2.64733 6.16261      0.809792  6.75171      0.800728  56.4064     67.8887     7.5233      67.8887     
1 1 1 13 12 18 o 33.5151 3.96229 3.24555      0.613266  1.23861      0.644719  10.8004     82.1477     28.3062     262.148     
1 1 1 13 12 19 o 100.949 2.61161 18.8447      1.36491   18.8148      1.36368   85.9555     86.1238     27.0978     266.124     
1 1 1 13 12 20 o 53.376  3.04828 5.11199      0.83856   5.51013      0.83261   20.2344     1.27146     61.5564     181.271     
1 1 1 13 12 21 o 56.0863 2.99425 5.70514      0.910395  6.02158      0.810975  60.6293     74.5735     16.8126     74.5735     
1 1 1 13 12 22 o 56.5637 2.86145 4.96341      0.816641  7.04933      0.831704  61.2975     228.076     15.3946     228.076     
1 1 1 13 12 23 o 56.8534 2.80464 5.58116      0.815197  6.48688      0.824367  48.9654     93.9866     11.0653     273.987     
1 1 1 13 12 24 o 87.7463 2.44966 13.9652      1.11507   14.6009      1.10836   115.56      264.08      61.3388     264.08      
1 1 1 13 12 25 o 21.9148 4.10982 0.594574     0.48994   1.28065      0.494249  5.35608     18.647      1.13795     198.647     
1 1 1 13 12 26 o 31.1034 3.81294 1.95407      0.599826  1.80066      0.585031  27.2957     318.452     6.39283     318.452     
1 1 1 13 12 27 f 18.1653 4.35871 0.507302     0.505823  0.676569     0.479156  19.7367     54.2233     0           0           
1 1 1 13 12 28 o 29.0615 3.76346 1.60219      0.551071  1.70406      0.540606  23.6177     148.406     1.55213     328.406     
1 1 1 13 12 29 o 21.6594 4.30828 0.367011     0.542362  1.45067      0.559995  13.843      287.686     1.88242     107.686     
1 1 1 13 12 30 o 20.5885 4.81337 0.949798     0.603884  0.685701     0.598286  12.7949     161.477     1.80304     161.477     
1 1 1 13 12 31 o 37.5531 3.66692 3.04239      0.691384  2.49083      0.691178  20.5805     207.551     29.0939     27.5514     
1 1 1 13 12 32 o 38.1075 3.55761 2.18078      0.668131  3.57301      0.659838  28.534      338.229     13.9451     158.229     
1 1 1 13 12 33 o 77.7068 2.62821 10.7753      1.05019   12.0785      1.05863   83.7431     164.839     19.5317     164.839     
1 1 1 13 12 34 o 24.3449 4.24217 1.66354      0.567911  0.805406     0.526104  23.0871     292.179     5.34271     292.179     
1 1 1 13 12 35 o 23.5548 4.93577 1.40699      0.601086  0.896061     0.736031  23.2105     220.032     13.0461     220.032     
1 1 1 13 12 36 o 29.1717 4.7459  1.79701      0.697163  1.83489      0.708278  30.7654     237.998     11.4063     237.998     
1 1 1 13 12 37 o 30.5287 4.79414 1.22627      0.840326  2.81963      0.690764  29.91       201.302     6.36346     201.302     
1 1 1 13 12 38 o 24.7081 4.69226 1.28586      0.661976  1.36823      0.569956  14.6752     54.191      13.694      234.191     
1 1 1 13 12 39 o 29.662  4.17693 1.42482      0.619047  2.33233      0.618079  31.7745     123.298     12.6821     123.298     
1 1 1 13 12 40 o 17.661  4.5994  0.685817     0.562149  0.545883     0.548493  11.1107     246.124     5.19937     246.124     
1 1 1 13 12 41 o 10.3087 3.43443 -0.52808     0.490249  -0.292767    0.464825  0.853613    23.4057     10.0481     203.406     
1 1 1 13 12 42 o 19.5576 4.20964 -0.0438254   0.558519  1.54581      0.580608  16.6926     122.683     2.60983     122.683     
1 1 1 13 12 43 f 28.982  4.40172 1.2441       0.648486  2.70014      0.66264   18.531      196.18      0           0           
1 1 1 13 12 44 o 18.8434 4.39983 -0.208422    0.545765  1.66648      0.673839  14.009      83.634      1.67053     263.634     
1 1 1 13 12 45 o 15.7785 4.72779 0.688339     0.670905  0.0614       0.71316   9.28722     96.943      2.69773     276.943     
1 1 1 13 12 46 o 15.5644 4.38126 -0.0113107   0.562592  0.873446     0.578391  6.83338     147.544     2.21303     147.544     
1 1 1 13 12 47 o 16.0124 3.93428 -1.00807     0.546939  1.38111      0.577936  8.40849     256.056     7.00791     76.0562     
1 1 1 13 12 48 o 16.2065 4.71072 0.381247     0.661858  0.828699     0.636381  6.50591     242.416     11.3426     62.4156     
1 1 1 13 12 49 o 17.8776 4.87005 0.683736     0.669307  1.07129      0.631925  11.3347     213.749     1.74419     33.7487     
1 1 1 13 12 50 o 16.2834 4.49204 1.32066      0.658893  -0.269025    0.61393   6.49717     183.491     1.54762     183.491     
1 1 1 13 12 51 o 12.9243 4.20921 0.348967     0.670839  -0.273663    0.649727  3.24869     306.988     1.79624     126.988     
1 1 1 13 12 52 o 14.5527 4.42687 -0.0188328   0.605081  0.871319     0.651497  6.89283     93.4117     0.0222266   93.4116     
1 1 1 13 12 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 13 0  o 50.8376 2.75882 4.82935      0.716905  4.82935      0.716905  53.9036     90          30.2139     90          
1 1 1 13 13 1  o 78.8612 2.40826 11.7553      0.984357  11.1592      0.979526  44.4337     115.599     66.9344     295.599     
1 1 1 13 13 2  o 25.8678 3.84457 1.04052      0.500648  1.53792      0.499239  0.134898    353.736     20.2086     353.736     
1 1 1 13 13 3  o 176.641 2.37508 57.1104      2.2534    57.619       2.09224   192.598     1.62094     27.1012     1.62094     
1 1 1 13 13 4  o 137.711 2.44742 35.3368      1.74864   34.4354      1.74387   141.095     351.411     4.88146     351.411     
1 1 1 13 13 5  o 65.5714 2.74521 8.17359      0.935373  7.71243      0.922169  73.4089     252.236     27.9088     252.236     
1 1 1 13 13 6  o 36.3224 3.15779 2.57924      0.586495  2.35927      0.576951  13.6612     90.2855     28.7281     270.285     
1 1 1 13 13 7  o 118.698 2.41449 27.5355      1.4334    24.3784      1.5235    120.46      62.461      3.95872     62.461      
1 1 1 13 13 8  o 48.9716 2.79685 4.27515      0.713795  4.61774      0.692066  31.3064     44.3613     24.687      224.361     
1 1 1 13 13 9  o 49.1457 2.7843  4.21166      0.704452  4.74909      0.699817  42.9646     216.099     6.67102     216.099     
1 1 1 13 13 10 o 100.312 2.37246 18.3697      1.23728   18.6901      1.22629   85.4066     42.2546     27.6242     222.255     
1 1 1 13 13 11 o 42.4468 3.05192 3.13843      0.662118  3.58201      0.659316  10.6323     75.7538     53.8777     255.754     
1 1 1 13 13 12 o 70.4538 2.53013 10.3573      0.924089  8.04003      0.908283  66.6558     201.013     0.725173    201.013     
1 1 1 13 13 13 o 34.1452 3.55731 2.36313      0.587531  2.0469       0.627302  9.73523     156.556     28.1444     336.556     
1 1 1 13 13 14 o 45.3268 3.21599 3.75906      0.758357  3.91037      0.731261  21.0215     6.57471     37.0796     186.575     
1 1 1 13 13 15 o 40.9228 3.29212 2.6871       0.706015  3.62234      0.636031  25.1851     70.0544     14.3551     250.054     
1 1 1 13 13 16 o 22.5434 4.14148 1.26154      0.514432  0.708856     0.479415  7.8839      358.622     41.4669     358.622     
1 1 1 13 13 17 o 45.783  2.88447 3.71794      0.679875  4.09572      0.673086  24.0297     242.362     35.6635     62.362      
1 1 1 13 13 18 o 76.6692 2.48663 11.2097      0.991987  10.5383      0.978874  87.7798     322.537     28.601      322.537     
1 1 1 13 13 19 o 89.4747 2.44511 15.1093      1.13851   14.5044      1.12519   91.2186     231.639     7.18712     231.639     
1 1 1 13 13 20 o 58.7514 2.90611 6.21593      0.834938  6.65134      0.923917  66.7933     51.4765     22.3155     51.4765     
1 1 1 13 13 21 o 65.2632 3.00457 7.46076      1.00323   8.45057      1.01617   47.1545     129.358     32.4294     309.358     
1 1 1 13 13 22 o 39.8531 3.44577 2.82218      0.696985  3.2066       0.693968  32.1924     69.5433     8.2304      249.543     
1 1 1 13 13 23 o 71.5404 2.61832 10.1452      1.02118   8.92742      0.915048  85.6793     224.755     34.4444     224.755     
1 1 1 13 13 24 o 35.4771 3.26148 2.83748      0.589793  1.98884      0.567999  25.4938     127.638     12.4779     307.638     
1 1 1 13 13 25 o 33.3203 3.58281 2.30547      0.603178  1.97714      0.593368  31.6334     199.766     8.18201     199.766     
1 1 1 13 13 26 o 35.9044 3.45148 2.53057      0.638878  2.42089      0.612697  36.4906     25.9118     10.7529     25.9118     
1 1 1 13 13 27 o 53.9228 2.83301 5.3795       0.766465  5.5853       0.805973  57.5569     109.171     13.6204     109.171     
1 1 1 13 13 28 o 13.9818 3.85398 -0.14356     0.436658  0.481078     0.429374  1.29511     215.934     7.20864     35.9341     
1 1 1 13 13 29 o 62.234  2.74159 6.37232      0.873091  8.32311      0.873886  55.39       149.871     7.96477     329.871     
1 1 1 13 13 30 o 34.228  4.58064 2.29329      0.791836  2.4756       0.773292  29.3316     103.054     3.63413     283.055     
1 1 1 13 13 31 o 82.5586 3.02526 12.9177      1.20102   13.0653      1.37362   76.6692     159.709     4.39963     339.709     
1 1 1 13 13 32 o 25.2687 4.40706 0.94522      0.631152  1.67375      0.548705  19.6232     353.981     5.08268     173.981     
1 1 1 13 13 33 o 32.4783 3.79709 2.58143      0.628509  1.67954      0.593709  34.534      127.687     11.0648     127.687     
1 1 1 13 13 34 o 33.0968 3.83325 2.33009      0.671138  2.08385      0.599056  28.0574     175.893     3.93636     355.893     
1 1 1 13 13 35 o 24.8555 4.21874 0.579773     0.575514  2.04448      0.589502  20.7002     148.542     1.30444     328.542     
1 1 1 13 13 36 o 12.2018 3.88153 -0.212188    0.535097  -0.0998986   0.49596   0.659929    33.9096     18.6344     33.9096     
1 1 1 13 13 37 o 12.5995 3.84548 0.323274     0.512882  -0.418052    0.447903  3.49929     93.5283     6.33786     273.528     
1 1 1 13 13 38 o 24.7387 4.34979 1.85248      0.593215  0.82027      0.564878  24.7779     355.719     9.19991     355.719     
1 1 1 13 13 39 o 58.6343 2.99231 6.22994      0.897466  7.36283      0.903981  61.1079     228.235     14.9192     228.235     
1 1 1 13 13 40 o 18.2103 4.26501 1.22385      0.554652  0.0257117    0.526697  14.915      179.787     3.14253     179.787     
1 1 1 13 13 41 f 26.3841 4.39223 2.06097      0.617471  1.11752      0.589616  25.8388     243.541     0           0           
1 1 1 13 13 42 o 14.5541 4.25551 0.437408     0.548425  0.177055     0.501169  7.78987     339.096     5.67431     159.096     
1 1 1 13 13 43 o 13.1012 4.03943 0.382857     0.549209  -0.280984    0.519269  3.13073     273.541     0.484732    273.541     
1 1 1 13 13 44 o 10.1376 3.42503 -0.339441    0.533049  -0.558929    0.471391  0.939788    308.871     7.69271     128.871     
1 1 1 13 13 45 o 11.1932 3.78094 -1.10325     0.548219  0.0578986    0.668392  1.90697     238.958     7.89826     58.958      
1 1 1 13 13 46 o 16.8898 4.34588 -0.456783    0.650995  1.31648      0.600339  11.8174     16.3207     0.987171    16.3207     
1 1 1 13 13 47 o 19.488  4.97997 0.837114     0.657271  1.28569      0.656733  12.4018     309.482     5.3667      129.482     
1 1 1 13 13 48 o 19.8511 5.0294  0.445648     0.746803  1.75047      0.726145  15.0983     322.552     2.55304     322.552     
1 1 1 13 13 49 o 24.8046 5.3111  2.22754      0.770476  1.50475      0.742702  22.4493     215.038     8.40517     215.038     
1 1 1 13 13 50 o 31.4807 5.14607 2.67364      0.80156   2.9653       0.844855  28.9845     224.536     6.92897     224.536     
1 1 1 13 13 51 o 14.6096 4.22135 -0.696634    0.636973  1.0989       0.601813  6.76997     205.248     0.422043    205.247     
1 1 1 13 13 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 14 0  o 161.599 2.27337 47.9953      1.90262   47.9953      1.90262   154.328     90          20.4309     270         
1 1 1 13 14 1  o 86.8008 2.39607 14.2796      1.07987   13.4859      1.0717    93.6087     193.354     19.6112     193.354     
1 1 1 13 14 2  o 86.6351 2.40092 13.6162      1.07482   14.0406      1.07726   110.875     98.4948     58.4726     98.4948     
1 1 1 13 14 3  o 77.6443 2.44117 11.7806      0.983846  10.4648      0.974156  77.7833     0.709814    7.20568     0.709814    
1 1 1 13 14 4  o 76.0979 2.56015 10.6874      1.04639   10.6772      0.965922  78.183      125.81      11.913      125.81      
1 1 1 13 14 5  o 52.1523 2.88728 5.24111      0.78332   4.84786      0.764987  33.0878     230.243     28.2951     50.243      
1 1 1 13 14 6  o 53.231  2.78984 5.44281      0.742414  5.05833      0.783132  26.7431     86.0436     44.8694     266.044     
1 1 1 13 14 7  o 43.1288 2.84524 3.35813      0.631113  3.5588       0.625711  25.2706     171.863     20.2961     351.863     
1 1 1 13 14 8  o 137.428 2.29949 34.2691      1.64083   35.2306      1.63503   164.119     91.3298     55.773      91.3298     
1 1 1 13 14 9  o 91.0535 2.36867 14.2212      1.11091   16.3775      1.11739   118.462     45.6291     65.6781     45.6291     
1 1 1 13 14 10 f 146.749 2.27796 39.6569      1.73737   39.6081      1.72824   146.054     210.225     0           0           
1 1 1 13 14 11 o 14.7705 3.92601 0.0231045    0.44011   0.481525     0.414756  13.9211     285.159     34.8804     285.159     
1 1 1 13 14 12 o 165.53  2.29544 49.0296      1.96783   51.8968      1.97018   173.962     201.231     17.7807     201.231     
1 1 1 13 14 13 o 70.414  2.58384 8.63896      0.903742  9.71455      0.976424  47.1362     49.7746     41.3523     229.775     
1 1 1 13 14 14 o 111.34  2.53569 20.5939      1.45153   25.3111      1.4605    124.027     125.076     29.3369     125.076     
1 1 1 13 14 15 o 70.2531 2.65596 8.36778      0.997094  9.94935      0.915148  73.4611     335.781     13.1036     335.781     
1 1 1 13 14 16 o 41.7411 3.02378 3.22348      0.656672  3.29907      0.632654  34.8805     296.649     3.84592     116.649     
1 1 1 13 14 17 o 149.605 2.31757 42.365       1.80495   40.2743      1.78907   154.511     329.723     12.13       329.723     
1 1 1 13 14 18 o 77.8827 2.57193 11.8713      1.03972   10.6411      1.02931   83.9338     109.53      16.4961     109.53      
1 1 1 13 14 19 o 115.032 2.46185 22.9209      1.45601   26.144       1.47269   131.18      29.2115     36.2731     29.2115     
1 1 1 13 14 20 o 103.594 2.45638 19.4984      1.35012   20.2972      1.28145   92.5581     44.4225     18.1361     224.423     
1 1 1 13 14 21 o 67.7991 2.51925 9.09638      0.892873  8.01786      0.870206  64.028      31.8229     2.4092      211.823     
1 1 1 13 14 22 o 53.7246 2.857   5.44862      0.747263  5.36765      0.829148  57.7896     274.842     15.2755     274.842     
1 1 1 13 14 23 o 53.6788 3.03442 5.80899      0.847676  5.05224      0.824988  70.3572     98.0345     43.8334     98.0345     
1 1 1 13 14 24 o 65.8704 2.83042 9.04998      1.05497   7.28073      0.871414  57.6739     248.683     10.899      68.6831     
1 1 1 13 14 25 o 35.1275 3.58233 3.0015       0.63533   1.83776      0.606463  33.4095     57.0611     4.78708     57.0611     
1 1 1 13 14 26 o 22.191  3.97785 1.78688      0.520418  -0.243088    0.678608  9.91183     233.712     16.8391     53.7124     
1 1 1 13 14 27 o 67.9094 2.59551 8.81706      0.91148   8.52949      0.908883  71.9187     339.653     14.317      339.653     
1 1 1 13 14 28 o 84.3079 2.74967 14.7416      1.28351   12.1745      1.11529   81.5042     356.573     1.42259     356.573     
1 1 1 13 14 29 o 50.1908 3.44699 4.3506       0.950178  5.42058      0.77311   44.1215     266.233     6.33218     86.2326     
1 1 1 13 14 30 o 9.80783 3.25008 -0.424976    0.430276  -0.342814    0.40131   6.15814     174.981     25.5325     174.981     
1 1 1 13 14 31 o 50.1569 3.12744 4.1774       0.8174    5.55267      0.766959  53.0049     326.539     12.293      326.539     
1 1 1 13 14 32 o 15.968  3.95281 -0.396125    0.475772  0.939612     0.509221  7.84044     266.652     8.07378     86.6522     
1 1 1 13 14 33 o 11.7102 3.69116 -0.0539886   0.445943  -0.182639    0.464449  2.0057      187.416     5.03421     7.4157      
1 1 1 13 14 34 o 52.6744 3.11565 5.5812       0.839432  5.23202      0.845317  47.3247     320.639     3.11724     140.639     
1 1 1 13 14 35 o 18.1538 4.34728 0.971639     0.524192  0.281373     0.507449  12.6495     38.5438     4.57351     38.5438     
1 1 1 13 14 36 o 31.2629 4.23364 2.41371      0.673692  1.71997      0.646525  29.4721     302.847     3.99104     302.847     
1 1 1 13 14 37 o 16.8556 4.39865 0.647492     0.518476  0.409308     0.503442  11.3488     79.8986     0.209375    79.8986     
1 1 1 13 14 38 o 37.133  3.61998 2.85482      0.686321  2.81309      0.670176  37.081      294.854     7.87679     294.854     
1 1 1 13 14 39 o 37.8225 3.65598 2.819        0.698172  3.12917      0.695461  40.4272     223.687     13.678      223.687     
1 1 1 13 14 40 o 19.291  4.63995 0.919683     0.557041  0.75512      0.555735  9.10263     213.267     6.32        213.267     
1 1 1 13 14 41 o 15.3048 4.37389 0.26222      0.536664  0.525635     0.54538   5.1212      195.967     14.127      15.9666     
1 1 1 13 14 42 o 22.5825 4.32029 0.375089     0.592464  2.01339      0.616313  16.5407     124.345     4.66009     304.345     
1 1 1 13 14 43 f 13.164  4.01038 -0.624407    0.545788  0.565738     0.555092  15.4237     114.331     0           0           
1 1 1 13 14 44 o 12.2724 3.90421 0.297462     0.552641  -0.443338    0.524704  3.41742     272.567     2.26946     92.5675     
1 1 1 13 14 45 o 15.0193 4.42272 0.612606     0.584621  0.225845     0.571006  7.42631     18.8694     1.41852     18.8694     
1 1 1 13 14 46 o 14.4493 4.43958 -0.196242    0.592992  0.756403     0.686058  6.94554     49.9406     4.84535     229.941     
1 1 1 13 14 47 o 24.1711 5.07569 2.99666      0.884431  0.545631     0.710966  21.9082     57.3723     7.14993     57.3723     
1 1 1 13 14 48 o 18.3855 4.95848 1.23272      0.668564  0.701791     0.677966  6.24025     352.249     2.95491     352.249     
1 1 1 13 14 49 o 15.9045 4.72395 0.457717     0.684686  0.793718     0.651128  8.31775     320.818     0.848347    140.818     
1 1 1 13 14 50 o 15.1107 4.59668 0.656554     0.677535  0.459144     0.622565  6.56924     316.316     7.08616     136.316     
1 1 1 13 14 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 15 0  o 37.6553 3.05053 2.70832      0.575205  2.70832      0.575205  22.7748     270         11.8917     90          
1 1 1 13 15 1  o 23.5088 3.73787 0.47765      0.465603  1.69269      0.474486  5.68176     223.654     29.7694     223.654     
1 1 1 13 15 2  o 74.2086 2.41493 10.3078      0.932552  10.0151      0.920342  92.2344     87.8117     53.0483     87.8117     
1 1 1 13 15 3  o 91.8475 2.34074 16.0374      1.11778   15.0687      1.10692   118.573     326.948     64.3544     326.948     
1 1 1 13 15 4  o 67.8002 2.49904 7.93967      0.875971  9.06015      0.871169  75.5429     242.767     29.2093     242.767     
1 1 1 13 15 5  o 97.1765 2.53132 16.469       1.2697    18.4046      1.27328   101.26      251.333     13.7987     251.333     
1 1 1 13 15 6  o 71.2926 2.69798 8.67608      0.993159  10.1528      0.988376  46.9975     125.158     42.791      305.158     
1 1 1 13 15 7  o 108.27  2.33157 22.1802      1.31702   21.0433      1.29677   121.376     174.126     31.1565     174.126     
1 1 1 13 15 8  o 33.6446 3.20675 2.36221      0.557891  1.91189      0.529577  4.98172     177.577     45.201      357.577     
1 1 1 13 15 9  o 11.0085 3.36802 -0.210268    0.377253  0.0642771    0.343419  9.32122     327.228     21.4809     327.228     
1 1 1 13 15 10 o 78.6703 2.41317 11.9787      0.988514  10.8968      0.973906  63.5312     168.98      25.4681     348.98      
1 1 1 13 15 11 o 96.0144 2.35214 16.1402      1.16519   17.917       1.1704    108.233     270.967     29.5063     270.967     
1 1 1 13 15 12 o 133.667 2.30554 31.8186      1.59547   34.1128      1.59665   134.55      304.948     4.44939     304.947     
1 1 1 13 15 13 o 98.4443 2.44374 18.4645      1.20272   17.373       1.2827    94.6804     156.689     3.9946      336.689     
1 1 1 13 15 14 o 16.9256 4.24338 0.496089     0.485828  0.447506     0.446635  0.406717    94.784      8.39078     94.784      
1 1 1 13 15 15 o 95.3479 2.51651 15.8951      1.29272   17.8048      1.17774   86.6871     172.277     13.9266     352.277     
1 1 1 13 15 16 o 146.799 2.42098 36.6573      1.81626   43.2091      1.86057   148.245     318.616     6.51848     318.616     
1 1 1 13 15 17 o 35.6515 3.19285 2.48723      0.579527  2.32355      0.573703  12.8205     348.858     40.1115     168.858     
1 1 1 13 15 18 o 17.4675 4.07105 0.32869      0.44971   0.73893      0.433412  10.849      162.838     48.3841     162.838     
1 1 1 13 15 19 o 85.0514 2.39055 13.6844      1.05988   13.1704      1.04372   78.8296     4.48442     7.45755     184.484     
1 1 1 13 15 20 o 31.0434 3.48489 2.06287      0.555071  1.65343      0.526975  27.4514     93.617      10.8005     93.617      
1 1 1 13 15 21 o 23.5726 4.36065 1.41647      0.490583  0.724692     0.639614  5.15623     122.997     1.28667     122.997     
1 1 1 13 15 22 o 58.1108 2.64626 6.53206      0.796367  6.11847      0.788925  63.5011     22.7393     17.5224     22.7393     
1 1 1 13 15 23 o 19.1104 4.40866 0.886133     0.571541  0.51348      0.436729  4.92138     67.5828     17.7658     247.583     
1 1 1 13 15 24 o 93.9169 2.873   17.1425      1.40658   16.0795      1.38364   98.6552     89.5823     16.4062     89.5823     
1 1 1 13 15 25 o 20.7007 4.34038 1.51624      0.615261  0.0366096    0.549996  5.15332     99.2526     24.5682     279.253     
1 1 1 13 15 26 o 65.4801 2.74833 7.76305      0.971463  8.45161      0.877106  61.6692     155.744     1.33433     335.744     
1 1 1 13 15 27 o 16.0198 4.06592 0.635676     0.462283  0.22598      0.417397  6.07064     233.765     0.806111    53.765      
1 1 1 13 15 28 o 67.1577 2.73224 8.20185      0.959604  8.89143      0.931844  57.8853     154.629     11.8228     334.629     
1 1 1 13 15 29 o 19.3144 4.14336 1.21678      0.531835  0.229191     0.456233  3.05687     118.034     27.578      298.034     
1 1 1 13 15 30 o 29.2992 4.15174 1.28905      0.604903  2.25696      0.611637  30.3309     205.44      9.54061     205.44      
1 1 1 13 15 31 o 80.2446 2.59629 12.3052      1.08262   12.1639      1.07155   82.2457     181.7       13.4289     181.7       
1 1 1 13 15 32 o 46.1459 3.16112 3.76213      0.766899  4.56138      0.710942  49.0961     201.145     13.3623     201.145     
1 1 1 13 15 33 o 14.0549 3.92591 -0.401282    0.464289  0.615051     0.492147  5.68317     222.855     2.17736     42.8552     
1 1 1 13 15 34 o 28.3328 4.41873 2.23074      0.616475  1.21605      0.664657  16.2448     50.5925     17.9116     230.593     
1 1 1 13 15 35 o 38.7965 3.66531 2.90262      0.699028  3.20604      0.73839   39.1703     147.845     8.69979     147.845     
1 1 1 13 15 36 o 24.1945 4.72243 1.1429       0.626245  1.45319      0.605718  12.8094     114.72      16.3381     294.72      
1 1 1 13 15 37 o 45.9551 3.41655 3.45083      0.791008  5.17576      0.770195  49.345      221.732     15.8642     221.732     
1 1 1 13 15 38 o 17.6428 4.39822 0.372284     0.524633  0.888104     0.515162  9.00221     230.689     10.5787     50.6886     
1 1 1 13 15 39 o 31.1214 4.06483 2.43151      0.633124  1.81291      0.625589  22.8294     242.13      9.23058     62.1301     
1 1 1 13 15 40 o 31.0661 4.21557 1.45749      0.640766  2.97899      0.659475  35.532      214.528     18.1775     214.528     
1 1 1 13 15 41 o 24.2953 4.76559 1.59632      0.631916  1.29505      0.615204  19.2296     191.846     2.12529     11.8458     
1 1 1 13 15 42 o 16.3731 4.55465 0.39046      0.585411  0.727991     0.566165  10.7601     58.5569     0.918075    58.5569     
1 1 1 13 15 43 f 16.0487 4.49502 0.253705     0.588242  0.791937     0.564409  10.272      198.198     0           0           
1 1 1 13 15 44 o 19.993  4.16556 -0.131229    0.581996  1.90615      0.617879  14.4388     121.798     2.42204     301.798     
1 1 1 13 15 45 o 11.5118 3.74767 0.135879     0.540699  -0.385049    0.502375  0.981895    157.146     0.619719    337.146     
1 1 1 13 15 46 o 21.5743 4.22418 0.106359     0.620548  2.20601      0.634926  19.3113     299.284     9.4357      299.284     
1 1 1 13 15 47 o 16.1983 4.95497 0.941318     0.800983  0.311876     0.74273   7.04986     238.582     0.364032    238.582     
1 1 1 13 15 48 o 23.9469 5.49954 1.69251      0.902402  2.01084      0.726938  19.4962     124.239     2.73714     124.239     
1 1 1 13 15 49 o 9.93393 3.40282 -0.95838     0.520635  -0.118311    0.560588  0.499025    313.24      6.38659     133.24      
1 1 1 13 15 50 o 10.2164 3.49673 -0.118063    0.597918  -0.834746    0.52276   1.12393     329.756     7.77093     149.756     
1 1 1 13 16 0  o 158.944 2.27884 46.4807      1.8758    46.4807      1.8758    166.853     90          15.0004     90          
1 1 1 13 16 1  o 36.2177 3.11197 2.91534      0.565152  2.04849      0.562643  9.83141     142.108     43.3567     322.108     
1 1 1 13 16 2  o 42.7613 2.86571 2.98745      0.620255  3.85926      0.626637  35.0802     43.6034     18.7887     43.6034     
1 1 1 13 16 3  o 163.836 2.28199 48.293       1.93687   50.6504      1.93833   176.469     305.219     27.6455     305.219     
1 1 1 13 16 4  o 173.99  2.27597 56.3722      2.05366   55.2123      2.05155   180.148     338.919     14.4167     338.919     
1 1 1 13 16 5  o 43.0311 2.95561 3.4256       0.679744  3.48968      0.619808  35.6519     15.5113     2.98463     195.511     
1 1 1 13 16 6  o 106.629 2.52498 20.5784      1.3984    21.4489      1.38818   63.5864     18.7152     83.4279     198.715     
1 1 1 13 16 7  o 96.9089 2.44341 18.4044      1.19423   16.3347      1.24924   70.3482     132.145     49.9134     312.145     
1 1 1 13 16 8  o 124.668 2.2823  28.2783      1.47473   29.0963      1.47228   139.4       198.04      33.0577     198.04      
1 1 1 13 16 9  o 39.2526 2.90226 2.54031      0.575357  3.25084      0.580661  23.6094     267.634     24.3887     87.6341     
1 1 1 13 16 10 o 132.169 2.29853 32.0448      1.57366   32.4474      1.57581   142.035     193.124     23.0198     193.124     
1 1 1 13 16 11 o 116.242 2.2783  23.9557      1.36436   26.0006      1.37732   127.484     30.8735     26.2948     30.8735     
1 1 1 13 16 12 o 11.9225 3.41843 -0.106313    0.353025  0.247593     0.332308  16.4309     137.465     46.0226     137.465     
1 1 1 13 16 13 o 36.7237 3.11743 2.30764      0.560953  2.79235      0.600926  25.6226     31.4416     14.9783     211.442     
1 1 1 13 16 14 o 95.2687 2.64956 16.0563      1.27226   17.68        1.33962   101.854     330.996     18.1027     330.996     
1 1 1 13 16 15 o 13.0155 3.96157 0.0788343    0.416274  -0.162046    0.561569  7.48435     119.546     25.9451     119.546     
1 1 1 13 16 16 o 90.0268 2.86442 15.7204      1.15767   14.528       1.47344   107.955     300.378     42.0698     300.378     
1 1 1 13 16 17 o 20.4289 3.96121 0.683267     0.443774  0.942267     0.427886  6.16338     352.724     7.17198     172.723     
1 1 1 13 16 18 o 11.1972 3.44931 0.0840615    0.429604  -0.181141    0.319095  8.22919     57.1427     24.6496     57.1427     
1 1 1 13 16 19 o 22.8843 3.99976 0.743484     0.518999  1.31163      0.448604  8.4101      136.594     19.2623     316.594     
1 1 1 13 16 20 o 64.3313 2.51951 7.57252      0.843617  7.89853      0.829468  66.7168     226.743     11.1441     226.743     
1 1 1 13 16 21 o 41.793  2.93934 2.7609       0.620992  3.90926      0.616823  32.6111     349.69      12.3701     169.69      
1 1 1 13 16 22 o 31.327  3.72871 3.24543      0.591108  0.896762     0.529805  22.2721     67.4443     11.5904     247.444     
1 1 1 13 16 23 o 31.7156 3.5461  1.74235      0.563107  2.19607      0.557697  24.253      208.396     8.59879     28.3958     
1 1 1 13 16 24 o 37.0115 3.31838 2.57237      0.63553   2.7268       0.606992  33.1984     275.812     1.42516     95.8122     
1 1 1 13 16 25 o 39.2047 3.1538  3.03287      0.650143  2.88836      0.608941  34.1023     1.97629     4.36141     181.976     
1 1 1 13 16 26 o 36.229  3.96754 2.45628      0.721217  2.76024      0.718541  26.8273     339.996     13.2723     159.996     
1 1 1 13 16 27 o 61.3119 3.16306 6.61457      0.994385  7.84409      0.996002  66.4974     222.825     17.6314     222.825     
1 1 1 13 16 28 o 37.0418 3.27156 2.42421      0.614099  2.93228      0.608224  44.9061     93.6418     23.4876     93.6418     
1 1 1 13 16 29 o 55.3649 2.96396 5.58954      0.846403  6.20687      0.839664  55.1902     75.6588     7.10754     75.6588     
1 1 1 13 16 30 o 53.3644 2.9713  5.9476       0.788363  5.06751      0.832311  51.2783     261.516     3.45077     261.516     
1 1 1 13 16 31 o 47.883  2.98391 4.22588      0.737884  4.67686      0.725554  36.4267     277.911     15.6995     97.9108     
1 1 1 13 16 32 o 17.5819 4.35172 0.623313     0.498928  0.578764     0.479498  9.53537     40.8851     3.94301     40.8851     
1 1 1 13 16 33 o 14.54   4.13251 0.485843     0.516893  0.0240101    0.456789  6.24673     152.56      6.52457     332.56      
1 1 1 13 16 34 o 10.7721 3.4836  0.0560109    0.463394  -0.75299     0.454023  1.26466     282.002     4.61455     102.002     
1 1 1 13 16 35 o 17.9355 4.70013 0.459231     0.586421  0.789469     0.588445  10.4863     190.158     7.20066     10.1579     
1 1 1 13 16 36 o 15.7377 4.06611 1.00194      0.557476  -0.36533     0.464194  7.2432      357.194     9.99361     177.194     
1 1 1 13 16 37 o 13.0459 3.91552 0.374531     0.486658  -0.224567    0.475426  4.7789      192.425     0.0502443   192.425     
1 1 1 13 16 38 o 19.9085 4.57276 1.16439      0.559846  0.648115     0.549735  15.4767     10.1354     1.05101     190.135     
1 1 1 13 16 39 o 37.7652 3.88679 2.29612      0.69935   3.99936      0.732414  32.7059     155.07      1.32517     335.07      
1 1 1 13 16 40 f 17.0507 4.55559 0.640843     0.561357  0.643783     0.540408  10.1252     114.165     0           0           
1 1 1 13 16 41 o 11.2985 3.66031 0.14643      0.516652  -0.529541    0.47437   1.77045     341.092     19.3628     341.092     
1 1 1 13 16 42 o 13.127  4.07549 0.124263     0.534534  0.167971     0.532484  3.31575     110.869     0.339778    290.869     
1 1 1 13 16 43 o 21.8219 4.857   1.2572       0.618773  1.29002      0.607636  19.0478     166.369     4.85948     166.369     
1 1 1 13 16 44 o 18.0368 4.55756 1.30269      0.603753  0.344243     0.558512  13.0883     304.795     5.3046      304.795     
1 1 1 13 16 45 o 9.46348 3.23065 -0.164171    0.495852  -0.917665    0.461699  0.18566     288.794     4.92304     288.794     
1 1 1 13 16 46 o 12.3977 4.00987 0.0628407    0.599463  -0.0159209   0.55469   2.191       130.625     8.26595     310.625     
1 1 1 13 16 47 o 17.3816 4.72284 -0.0242732   0.635938  1.54402      0.716404  10.6024     19.2556     2.61846     19.2556     
1 1 1 13 16 48 o 15.0683 4.73238 0.660378     0.74193   0.348659     0.743821  6.65919     153.984     0.715738    153.984     
1 1 1 13 16 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 17 0  o 116.957 2.31996 25.2221      1.40399   25.2221      1.40399   149.532     270         66.5387     270         
1 1 1 13 17 1  o 108.79  2.31395 20.7401      1.29593   23.0343      1.30879   112.206     99.5828     10.7084     99.5828     
1 1 1 13 17 2  o 62.4956 2.50259 6.54429      0.800795  7.97809      0.808428  69.9008     136.898     21.0247     136.898     
1 1 1 13 17 3  o 34.4846 3.04911 2.097        0.535098  2.39011      0.52835   9.05551     295.681     45.3979     115.681     
1 1 1 13 17 4  o 36.1578 2.94411 2.37351      0.542812  2.54173      0.539915  27.1811     244.411     10.0072     64.4112     
1 1 1 13 17 5  o 43.8901 3.10751 2.94823      0.716041  4.34851      0.632043  52.282      130.296     30.9157     130.296     
1 1 1 13 17 6  o 19.0284 3.79813 0.250995     0.436136  1.07096      0.422569  0.516929    283.236     26.5067     283.236     
1 1 1 13 17 7  o 46.8535 2.90368 3.7322       0.695678  4.49766      0.695045  39.024      76.4212     9.37555     256.421     
1 1 1 13 17 8  o 68.4059 2.4226  9.31536      0.860247  8.06289      0.849564  69.7603     157.769     8.21071     157.769     
1 1 1 13 17 9  o 119.439 2.54028 26.2127      1.40178   26.6918      1.72543   113.074     53.0515     7.99962     233.052     
1 1 1 13 17 10 o 49.1888 3.01664 4.44641      0.665033  4.62874      0.848826  50.5496     118.004     10.3045     118.004     
1 1 1 13 17 11 o 66.5473 2.4364  7.90462      0.835915  8.55378      0.838309  87.531      319.495     50.4713     319.495     
1 1 1 13 17 12 o 49.1383 2.87679 4.6292       0.767482  4.42193      0.683931  48.3765     280.632     5.776       280.632     
1 1 1 13 17 13 o 16.5026 4.01851 0.170946     0.532385  0.630347     0.36521   0.236379    230.256     10.34       50.2557     
1 1 1 13 17 14 o 29.3752 3.69384 1.47718      0.547176  1.87719      0.531757  22.0527     353.488     2.87435     173.488     
1 1 1 13 17 15 o 11.6465 3.077   0.542352     0.36582   -0.570845    0.261692  4.37241     186.066     14.7656     186.066     
1 1 1 13 17 16 o 80.4017 2.3699  12.5945      0.992595  11.4776      0.977471  87.2678     339.553     20.3517     339.553     
1 1 1 13 17 17 o 40.7509 2.8118  3.49111      0.591304  2.79638      0.576617  24.1059     26.4107     27.6046     206.411     
1 1 1 13 17 18 o 48.8438 2.67476 4.40909      0.677025  4.56444      0.666415  55.4047     272.35      20.7598     272.35      
1 1 1 13 17 19 o 46.5568 2.71435 3.67453      0.646958  4.52156      0.645114  54.9372     51.877      24.6719     51.877      
1 1 1 13 17 20 o 24.1326 3.80841 1.54883      0.500146  0.80685      0.441138  19.6987     50.6732     1.83282     50.6732     
1 1 1 13 17 21 f 59.7437 2.65692 6.576        0.824948  6.88529      0.811569  35.7964     153.604     0           0           
1 1 1 13 17 22 o 43.6636 3.0162  3.45707      0.679731  3.83802      0.665385  39.3483     120.568     2.58523     300.567     
1 1 1 13 17 23 o 57.6978 2.74097 6.01202      0.801502  6.61169      0.828144  52.867      150.304     3.21136     330.304     
1 1 1 13 17 24 o 18.9318 4.12307 0.619739     0.456078  0.793445     0.438115  13.211      145.732     2.68065     325.732     
1 1 1 13 17 25 o 15.9581 3.97589 0.174278     0.445379  0.655377     0.416202  9.02776     310.105     0.488741    130.105     
1 1 1 13 17 26 o 19.167  4.1893  0.765472     0.467381  0.707111     0.449264  14.3567     149.481     0.540878    329.481     
1 1 1 13 17 27 o 37.0089 3.4575  2.29832      0.599734  3.12661      0.693239  35.4389     75.8056     3.53147     75.8056     
1 1 1 13 17 28 o 30.3492 4.32107 2.96877      0.695348  1.01738      0.640671  27.9702     320.833     2.34119     320.833     
1 1 1 13 17 29 o 23.4057 4.40429 0.451749     0.677037  1.74383      0.554264  16.7698     166.533     6.32726     346.533     
1 1 1 13 17 30 o 15.8476 4.17767 0.395763     0.449669  0.471602     0.470444  7.67247     12.1676     7.64294     192.168     
1 1 1 13 17 31 o 34.8762 3.77104 1.67174      0.62498   3.40598      0.638093  33.5737     212.869     5.0671      212.869     
1 1 1 13 17 32 o 52.3148 3.00114 4.62841      0.777782  6.13531      0.828799  51.4632     260.806     7.43269     260.806     
1 1 1 13 17 33 o 24.8042 4.4856  1.49325      0.587745  1.1998       0.573911  21.2395     169.757     0.6948      169.757     
1 1 1 13 17 34 o 26.0151 4.38196 1.68367      0.604977  1.29323      0.563379  14.3588     341.751     16.759      161.751     
1 1 1 13 17 35 o 8.92197 3.03177 -0.624665    0.43274   -0.416744    0.389583  0.0907103   154.764     5.60793     334.765     
1 1 1 13 17 36 o 13.2366 4.0082  0.0873441    0.486858  0.177636     0.494475  6.43771     175.409     3.46007     355.409     
1 1 1 13 17 37 o 20.4249 4.57048 0.837206     0.544587  1.11392      0.548168  16.8927     256.264     1.02132     256.264     
1 1 1 13 17 38 o 27.8257 4.32677 2.16135      0.624552  1.42501      0.597232  22.6541     185.751     2.3433      5.75143     
1 1 1 13 17 39 o 13.5742 3.99044 -0.172677    0.493317  0.531842     0.492508  6.25497     200.278     1.2322      20.2778     
1 1 1 13 17 40 o 17.1778 4.09272 1.38152      0.57594   -0.307623    0.505296  9.30856     4.53883     4.57036     4.53883     
1 1 1 13 17 41 o 11.9151 3.76908 -0.616363    0.509057  0.353631     0.515276  3.40835     179.144     3.7794      359.144     
1 1 1 13 17 42 o 14.7754 4.10444 -0.363416    0.52826   0.935159     0.544037  8.36994     67.122      0.58492     247.122     
1 1 1 13 17 43 o 16.702  4.62465 0.590465     0.58356   0.811478     0.586419  8.57036     5.68359     3.2993      5.68359     
1 1 1 13 17 44 o 20.0163 4.6396  0.575264     0.595214  1.58902      0.613236  15.5435     322.524     4.51723     322.524     
1 1 1 13 17 45 o 21.5608 4.75338 0.776513     0.630169  1.82068      0.641919  17.4007     166.471     4.41556     166.471     
1 1 1 13 17 46 o 16.7148 4.79529 0.434427     0.69112   1.03661      0.654155  7.89251     303.341     2.50868     303.341     
1 1 1 13 17 47 o 19.5881 5.09661 1.33113      0.690274  1.11981      0.673528  13.4057     242.574     1.65808     62.5737     
1 1 1 13 17 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 18 0  o 22.678  4.46148 1.14895      0.453688  1.14895      0.453688  2.97442     270         36.3226     90          
1 1 1 13 18 1  o 40.973  3.03204 3.15914      0.597302  3.16152      0.669018  38.2        154.456     2.97519     154.456     
1 1 1 13 18 2  o 128.053 2.55721 31.9203      1.52826   28.9634      1.83122   135.713     48.5319     21.3125     48.5319     
1 1 1 13 18 3  o 66.8963 2.8388  9.32016      0.86365   7.43385      1.05255   65.3851     329.634     2.97721     329.634     
1 1 1 13 18 4  o 48.0647 2.63846 4.10073      0.657832  4.53249      0.644367  33.5111     339.467     23.2571     159.467     
1 1 1 13 18 5  o 49.7916 2.69603 4.51146      0.726027  4.75487      0.649994  62.0855     232.428     35.8528     232.428     
1 1 1 13 18 6  f 69.8247 3.09642 7.93606      1.233     10.4108      0.903821  44.0904     10.9885     0           0           
1 1 1 13 18 7  o 68.1859 2.80822 8.14628      1.04438   9.23558      0.915464  48.1923     202.091     34.6579     22.0907     
1 1 1 13 18 8  o 49.0022 2.58833 4.20715      0.628585  4.77304      0.677011  44.0434     295.99      2.99068     115.99      
1 1 1 13 18 9  o 18.6813 3.83764 0.7014       0.429523  0.647292     0.358321  1.52484     26.4745     29.7289     26.4745     
1 1 1 13 18 10 o 38.8423 2.77976 2.79928      0.551037  2.88088      0.552858  35.0945     27.3774     0.882676    27.3775     
1 1 1 13 18 11 o 11.9059 3.21021 -0.050341    0.305963  0.329229     0.281852  9.56472     259.307     30.8753     259.307     
1 1 1 13 18 12 o 60.0834 2.51359 6.72438      0.776253  6.75735      0.782451  49.8617     199.109     14.4382     19.1091     
1 1 1 13 18 13 o 56.3922 2.49167 6.08627      0.739097  5.80363      0.710416  56.7962     5.67229     7.54057     5.67228     
1 1 1 13 18 14 o 42.3178 3.00763 3.31878      0.65687   3.47281      0.643981  54.2944     18.8148     38.782      18.8148     
1 1 1 13 18 15 o 33.7113 3.33128 1.5948       0.561234  2.86557      0.512824  16.9108     91.5073     27.8381     271.507     
1 1 1 13 18 16 o 18.6592 3.53379 1.00397      0.382315  0.365845     0.353161  9.01002     171.069     4.26094     351.069     
1 1 1 13 18 17 o 39.8321 2.76209 2.93376      0.56296   3.08204      0.56265   37.5518     272.234     2.00031     272.234     
1 1 1 13 18 18 o 13.7403 3.4481  -0.0559853   0.362361  0.533408     0.326981  1.73183     169.962     10.7089     349.962     
1 1 1 13 18 19 o 47.6297 2.76738 4.06485      0.694363  4.54716      0.654828  27.157      31.5817     35.4571     211.582     
1 1 1 13 18 20 o 53.0518 2.76886 5.18701      0.761516  5.49255      0.749618  51.2477     137.12      2.89316     137.12      
1 1 1 13 18 21 o 62.0018 2.6608  7.09065      0.851891  7.44887      0.849885  55.2477     3.14608     6.63443     183.146     
1 1 1 13 18 22 o 11.0862 3.34061 -0.117462    0.351702  0.121634     0.335236  0.562146    230.218     10.0985     50.2183     
1 1 1 13 18 23 f 21.9581 3.97956 0.997061     0.465571  0.960952     0.444477  25.3058     27.1605     0           0           
1 1 1 13 18 24 o 42.6963 2.97069 3.57914      0.657228  3.43813      0.640736  42.4071     115.14      6.20854     115.14      
1 1 1 13 18 25 o 37.2409 3.20491 2.45569      0.605688  2.96642      0.599628  34.4533     1.55137     1.09266     1.55138     
1 1 1 13 18 26 o 32.533  3.5343  1.79394      0.573627  2.44486      0.567564  21.3732     307.889     16.2333     127.889     
1 1 1 13 18 27 o 32.6691 3.5277  2.04462      0.584942  2.22152      0.570236  31.2884     354.873     4.47375     354.873     
1 1 1 13 18 28 o 41.6184 3.24475 4.14871      0.723625  2.73969      0.641905  37.1821     287.552     1.35989     107.552     
1 1 1 13 18 29 o 14.7625 4.20232 0.48266      0.46961   -0.0983873   0.580348  5.84427     55.6428     8.78885     235.643     
1 1 1 13 18 30 o 55.5329 3.28473 5.36759      0.924563  6.87676      0.937158  55.5409     327.667     9.67162     327.667     
1 1 1 13 18 31 o 19.8093 4.6513  0.763873     0.614932  0.892097     0.512056  9.04385     296.226     14.8969     116.226     
1 1 1 13 18 32 o 20.0165 4.17417 1.37839      0.533236  0.305969     0.49382   12.9041     307.674     7.12091     127.674     
1 1 1 13 18 33 o 21.1211 4.64815 1.00825      0.562133  0.996174     0.563992  9.70714     93.1741     16.4096     273.174     
1 1 1 13 18 34 o 22.7448 4.26171 0.636934     0.546609  1.68395      0.550035  22.9543     118.814     9.97816     118.814     
1 1 1 13 18 35 o 28.5359 4.52886 1.58893      0.662996  2.15557      0.649832  26.6941     63.1133     4.55648     63.1133     
1 1 1 13 18 36 o 28.9701 4.46621 1.94068      0.681203  1.93477      0.622147  27.0812     105.851     4.68293     105.851     
1 1 1 13 18 37 f 29.0144 4.74762 1.96645      0.69065   2.08303      0.709243  29.3564     98.2867     0           0           
1 1 1 13 18 38 o 26.1673 4.38331 0.781378     0.604891  2.6378       0.67638   19.631      97.8487     4.55716     277.849     
1 1 1 13 18 39 o 17.6746 4.03281 1.45284      0.560817  -0.291396    0.520149  9.39412     91.7757     8.53551     271.776     
1 1 1 13 18 40 o 15.5952 4.1385  1.0541       0.548055  -0.245113    0.512772  9.19318     0.640963    2.05176     0.640962    
1 1 1 13 18 41 o 21.9936 4.85071 1.39718      0.621414  1.21813      0.606187  19.1142     111.435     4.77719     111.435     
1 1 1 13 18 42 o 12.5158 3.92454 -0.207735    0.502146  0.371797     0.534747  3.2557      349.202     7.48031     169.201     
1 1 1 13 18 43 o 13.7901 4.19912 0.254343     0.539304  0.370455     0.549185  1.94342     102.895     0.442989    282.895     
1 1 1 13 18 44 o 22.1977 4.49701 0.549676     0.614914  2.12435      0.643045  19.2839     328.642     7.84736     328.642     
1 1 1 13 18 45 o 13.416  4.20121 0.25621      0.574155  0.257849     0.582677  3.01786     59.9293     0.517403    239.929     
1 1 1 13 18 46 f 18.3856 5.04607 1.05645      0.698954  1.07358      0.677714  12.1883     195.805     0           0           
1 1 1 13 18 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 19 0  o 45.06   2.7547  3.8357       0.631902  3.8357       0.631902  42.8177     90          2.28934     270         
1 1 1 13 19 1  o 52.4492 2.80664 5.57413      0.717173  4.76494      0.785688  57.4487     43.5131     17.9373     43.5131     
1 1 1 13 19 2  o 76.077  2.69815 11.4152      0.962001  10.2283      1.13814   75.6122     136.841     5.76338     136.841     
1 1 1 13 19 3  o 42.6393 2.96728 3.97119      0.62516   2.93173      0.650581  38.9006     75.5265     0.0920952   75.5263     
1 1 1 13 19 4  o 59.1518 2.50233 6.39009      0.765387  6.67463      0.761728  70.7189     339.492     31.2763     339.492     
1 1 1 13 19 5  o 66.0009 2.45437 8.0173       0.843196  8.22994      0.829927  78.0144     80.8738     31.7025     80.8738     
1 1 1 13 19 6  o 13.1698 3.26562 -0.147663    0.35313   0.502671     0.291917  0.853556    214.203     6.09938     214.203     
1 1 1 13 19 7  o 31.5893 3.65241 1.54649      0.596084  2.36053      0.527396  27.8543     199.009     2.36521     199.009     
1 1 1 13 19 8  o 71.9532 2.90036 8.90448      1.00013   10.6002      1.15624   86.7728     4.41427     37.3788     4.41426     
1 1 1 13 19 9  o 22.9007 3.53157 0.763144     0.371765  1.32948      0.449723  15.3091     294.687     0.549106    114.687     
1 1 1 13 19 10 o 65.8161 2.75611 8.47155      0.937051  7.81716      0.933971  78.6521     146.616     33.3139     146.616     
1 1 1 13 19 11 o 71.2435 2.78827 9.03427      0.960744  10.0769      1.09122   71.8764     235.07      8.2301      235.07      
1 1 1 13 19 12 o 59.9053 3.01191 8.0509       0.850167  5.63929      0.957502  68.4043     159.524     24.2882     159.524     
1 1 1 13 19 13 o 17.883  4.18707 0.239935     0.360485  1.00433      0.575585  6.81111     185.423     0.867311    5.42331     
1 1 1 13 19 14 o 69.6364 3.1866  8.43345      1.01403   10.0785      1.27506   64.2117     337.452     3.82325     157.452     
1 1 1 13 19 15 o 29.0354 3.82701 1.77351      0.588192  1.57377      0.521868  28.4995     234.24      7.61204     234.24      
1 1 1 13 19 16 o 92.3324 2.48456 17.0437      1.15795   15.015       1.20814   86.3092     64.3033     3.33573     244.303     
1 1 1 13 19 17 o 49.3172 2.75509 4.34094      0.662308  4.89923      0.735465  52.037      284.027     12.2466     284.027     
1 1 1 13 19 18 o 18.1296 3.64465 0.746381     0.372183  0.559369     0.34814   8.09692     169.263     13.4198     349.263     
1 1 1 13 19 19 o 33.8438 3.07211 2.15513      0.530249  2.26912      0.522117  25.3805     266.014     11.2867     86.0137     
1 1 1 13 19 20 o 15.4379 3.43654 0.765908     0.359512  0.0736907    0.325168  8.44829     292.254     1.09492     112.254     
1 1 1 13 19 21 o 13.7911 3.58771 0.394678     0.350527  0.216354     0.328999  5.21783     210.731     2.88307     30.7306     
1 1 1 13 19 22 o 14.5085 3.50645 -0.0238304   0.367169  0.642595     0.348886  6.27964     173.655     0.997207    353.655     
1 1 1 13 19 23 o 12.5144 3.39943 0.439258     0.353914  -0.106684    0.315148  3.37047     194.619     4.88454     14.6185     
1 1 1 13 19 24 o 41.1721 2.99547 3.53335      0.639075  3.0557       0.619585  34.8003     23.5218     5.7015      203.522     
1 1 1 13 19 25 o 12.1746 3.52832 -0.0554727   0.366384  0.270197     0.363986  2.80315     223.224     4.69836     43.2242     
1 1 1 13 19 26 o 71.1627 2.57797 9.43942      0.955271  9.92971      0.939239  78.1908     34.7163     25.0228     34.7163     
1 1 1 13 19 27 o 12.7559 3.63406 0.380541     0.401625  -0.0790931   0.367535  3.34396     280.421     2.53871     100.421     
1 1 1 13 19 28 o 18.789  4.19296 0.436757     0.503744  0.976913     0.458058  4.23504     346.664     23.1531     166.664     
1 1 1 13 19 29 o 36.7866 3.52532 2.69719      0.643035  2.78848      0.666886  31.5417     213.508     2.63245     33.5082     
1 1 1 13 19 30 o 18.0607 4.11335 0.372462     0.468618  0.950569     0.456049  13.4791     308.932     6.44462     308.932     
1 1 1 13 19 31 o 29.2211 4.35583 1.09097      0.592896  2.80435      0.71676   26.0487     201.451     1.54699     201.451     
1 1 1 13 19 32 o 17.8353 4.78607 0.948226     0.651853  0.298299     0.604789  10.9288     326.174     6.12407     146.174     
1 1 1 13 19 33 o 27.7915 4.15192 1.15169      0.589538  2.33584      0.583955  26.63       175.08      5.92168     175.08      
1 1 1 13 19 34 o 50.1657 3.29191 4.90233      0.811499  5.53003      0.881482  51.2261     104.584     13.1891     104.584     
1 1 1 13 19 35 o 11.7576 3.6941  -0.24474     0.478312  0.151323     0.445355  3.27214     331.598     1.5557      151.598     
1 1 1 13 19 36 o 25.4621 4.48998 1.56413      0.592449  1.53478      0.588714  22.0165     45.3989     2.14046     45.3989     
1 1 1 13 19 37 f 11.7235 3.70692 0.247242     0.500293  -0.337066    0.442773  8.84609     164.438     0           0           
1 1 1 13 19 38 o 26.1093 5.07371 2.03499      0.699718  1.59354      0.73296   17.5078     177.811     8.32387     357.811     
1 1 1 13 19 39 o 14.9932 4.35545 0.486016     0.53433   0.41047      0.553093  8.31986     199.182     2.23394     19.1815     
1 1 1 13 19 40 o 18.2554 4.47831 0.312387     0.569819  1.33329      0.577626  13.6278     206.474     4.29157     206.474     
1 1 1 13 19 41 o 10.8007 3.56063 -0.11606     0.493481  -0.243506    0.4834    0.840871    222.916     3.25346     42.9163     
1 1 1 13 19 42 o 23.6334 4.9694  1.68688      0.658193  1.46178      0.652404  19.1591     206.144     2.91001     206.144     
1 1 1 13 19 43 o 14.2967 4.23975 0.767514     0.572324  -0.0869828   0.553661  5.82858     220.509     2.61239     40.5087     
1 1 1 13 19 44 o 15.2895 4.4928  0.570878     0.60065   0.583318     0.573411  7.84686     250.274     2.79432     70.2738     
1 1 1 13 19 45 o 12.8977 4.09675 0.0774592    0.601906  0.266156     0.547891  2.99705     150.997     0.185285    330.997     
1 1 1 13 19 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 20 0  o 26.4327 3.65199 1.4384       0.445727  1.4384       0.445727  10.9369     90          29.0983     270         
1 1 1 13 20 1  o 27.1924 3.27105 1.39835      0.445723  1.47089      0.4432    21.1728     316.952     3.67168     136.952     
1 1 1 13 20 2  o 32.6903 3.19837 2.10383      0.517053  2.00544      0.536726  21.5253     322.112     16.0042     142.112     
1 1 1 13 20 3  o 15.1107 3.50539 0.570562     0.330753  0.24795      0.323323  2.84297     295.869     6.18438     115.869     
1 1 1 13 20 4  o 59.8788 2.59024 6.71018      0.79502   6.75701      0.805233  56.26       122.795     0.563345    302.795     
1 1 1 13 20 5  o 54.6309 2.76383 5.84259      0.718194  5.42111      0.826739  52.4169     75.7551     2.236       75.7552     
1 1 1 13 20 6  o 41.0214 3.28679 2.34986      0.65673   4.23914      0.659944  47.6644     238.64      21.7769     238.64      
1 1 1 13 20 7  o 27.3517 4.99042 1.14125      0.762899  1.92535      0.697512  26.3409     354.656     12.6191     354.656     
1 1 1 13 20 8  o 67.6389 3.71769 9.50803      1.35414   8.17754      1.2331    75.7343     255.593     23.9282     255.593     
1 1 1 13 20 9  f 73.8819 3.13372 12.52        1.19789   8.44171      1.16024   59.8372     89.3885     0           0           
1 1 1 13 20 10 o 43.2159 3.93995 3.33742      0.783357  4.01028      0.942472  46.4834     318.515     13.9523     318.515     
1 1 1 13 20 11 o 32.2579 4.76847 2.0394       0.693703  2.2271       0.848994  27.2503     26.533      3.00693     206.533     
1 1 1 13 20 12 o 63.059  3.93758 7.46054      1.06001   8.08849      1.46211   71.8298     2.56112     25.4436     2.56112     
1 1 1 13 20 13 o 30.7339 5.1163  2.56205      0.790321  1.40286      0.849216  19.3476     44.504      16.6989     224.504     
1 1 1 13 20 14 o 29.8152 6.02977 1.57728      0.950422  2.28492      1.02334   30.7751     247.402     11.164      247.402     
1 1 1 13 20 15 f 18.954  5.08904 0.141319     0.778962  0.869481     0.672582  6.59677     78.8481     0           0           
1 1 1 13 20 16 o 55.7966 3.73404 6.46551      1.08504   5.71454      1.04776   54.3467     281.181     4.54858     281.181     
1 1 1 13 20 17 o 42.8287 4.55859 3.75832      1.07015   3.69091      0.879606  48.3467     347.335     18.8588     347.335     
1 1 1 13 20 18 o 21.3258 5.64146 0.258239     1.17103   1.06091      0.675404  2.94128     33.1844     31.2138     213.184     
1 1 1 13 20 19 o 45.0421 5.0988  5.81691      1.39665   2.95028      0.921249  43.8587     41.1763     5.36339     41.1763     
1 1 1 13 20 20 o 32.646  5.79823 1.99834      1.23591   2.68431      0.792412  28.0285     119.085     1.72883     299.085     
1 1 1 13 20 21 o 24.5101 3.82093 0.772812     0.453353  1.74587      0.512015  25.3274     87.6373     11.8262     87.6373     
1 1 1 13 20 22 o 16.1674 3.82796 0.602626     0.434773  0.417435     0.320393  8.17395     320.567     2.01714     320.567     
1 1 1 13 20 23 o 14.0761 3.64761 0.405863     0.360218  0.267022     0.33838   6.02683     155.077     3.13731     335.077     
1 1 1 13 20 24 o 23.7872 3.75427 0.919119     0.458261  1.42777      0.450553  18.509      200.738     3.14649     20.7377     
1 1 1 13 20 25 o 18.21   3.78018 0.999288     0.41988   0.351683     0.386188  8.47046     352.757     12.5849     172.757     
1 1 1 13 20 26 o 24.9091 3.90421 1.23267      0.495985  1.36195      0.486073  18.2372     211.47      6.17184     31.4699     
1 1 1 13 20 27 o 17.8376 4.07227 0.755673     0.433556  0.560362     0.4294    11.3469     59.5436     4.94871     239.544     
1 1 1 13 20 28 o 21.5811 3.92775 0.224435     0.52002   1.71698      0.518956  18.0557     236.364     0.967365    236.364     
1 1 1 13 20 29 o 40.4246 3.4551  3.95022      0.676971  2.76657      0.707438  39.5502     9.40785     7.22616     9.40785     
1 1 1 13 20 30 o 19.8173 4.44795 1.02073      0.527832  0.73217      0.505984  17.7189     230.664     5.79401     230.664     
1 1 1 13 20 31 o 47.3594 3.21201 5.00592      0.787501  4.17038      0.765826  44.0878     3.65038     3.71127     3.65037     
1 1 1 13 20 32 o 33.317  3.81029 2.5822       0.660076  2.2232       0.611274  36.1086     211         14.8527     211         
1 1 1 13 20 33 o 17.5135 4.58761 0.140769     0.60578   1.07692      0.599305  11.897      4.28106     6.00689     4.28106     
1 1 1 13 20 34 o 45.1847 4.49219 3.26176      0.991722  6.247        0.874302  46.907      148.686     15.1588     148.686     
1 1 1 13 20 35 f 27.051  4.42375 1.97898      0.631774  1.52746      0.587508  11.4355     226.643     0           0           
1 1 1 13 20 36 o 12.9673 3.95864 0.0472951    0.472755  0.298076     0.50302   4.47995     72.8925     1.54171     252.892     
1 1 1 13 20 37 o 26.8106 4.524   1.15234      0.657676  2.51805      0.650508  29.7068     106.784     19.7642     106.784     
1 1 1 13 20 38 o 53.2869 3.24388 5.5456       0.875185  6.76417      0.891658  62.3729     97.9342     33.2583     97.9342     
1 1 1 13 20 39 o 13.3336 4.10644 0.189489     0.5483    0.26726      0.517737  3.46071     293.747     1.05402     113.747     
1 1 1 13 20 40 o 15.1787 4.39827 0.650637     0.543149  0.345435     0.578656  6.58006     298.831     2.05549     118.831     
1 1 1 13 20 41 o 14.3545 4.29968 0.340478     0.551331  0.453136     0.556905  4.65004     262.776     8.71527     82.7756     
1 1 1 13 20 42 o 15.5854 4.47803 0.517819     0.587399  0.675357     0.552153  6.8035      4.07142     7.32972     184.071     
1 1 1 13 20 43 o 13.7123 4.26483 0.507208     0.612876  0.119427     0.566076  5.18903     295.974     6.49698     115.974     
1 1 1 13 20 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 21 0  o 11.3423 4.30889 0.351152     0.349145  0.351152     0.349145  0.282938    90          5.64795     270         
1 1 1 13 21 1  o 57.6244 2.75464 6.77283      0.836857  5.81991      0.797892  74.0289     325.782     41.2304     325.782     
1 1 1 13 21 2  o 26.8681 3.40493 1.96895      0.465839  0.945043     0.434694  17.0779     142.518     13.4331     322.518     
1 1 1 13 21 3  f 69.1194 2.79166 8.24238      0.952297  9.88267      1.03959   40.472      320.384     0           0           
1 1 1 13 21 4  o 47.4156 3.38546 4.04577      0.749731  4.64446      0.892061  49.3321     145.189     10.9486     145.189     
1 1 1 13 21 5  o 20.2095 4.36263 1.49048      0.624185  -0.0869269   0.56719   11.6921     249.44      9.3222      69.4396     
1 1 1 13 21 6  f 16.7018 4.38602 0.774848     0.547649  -0.0277899   0.543363  30.264      189.374     0           0           
1 1 1 13 21 7  o 90.3543 3.1651  16.6269      1.56076   14.5727      1.39624   100.536     16.5746     30.292      16.5746     
1 1 1 13 21 8  o 59.0731 3.88634 7.65469      1.25407   6.04166      1.09931   57.9681     291.294     5.35855     291.294     
1 1 1 13 21 9  o 34.3029 4.7074  2.1966       0.778179  2.63125      0.836172  42.3195     344.929     25.8213     344.929     
1 1 1 13 21 10 o 38.5988 4.06212 2.91196      0.807705  3.01673      0.766394  41.8537     114.622     13.853      114.622     
1 1 1 13 21 11 o 62.7603 3.42455 8.71669      1.14562   6.57929      1.05815   69.4225     16.7101     21.7093     16.7101     
1 1 1 13 21 12 o 23.0849 4.92471 0.835927     0.636434  1.36222      0.66084   5.57148     245.461     29.6237     65.4609     
1 1 1 13 21 13 o 24.6476 4.8898  1.58816      0.654373  0.945986     0.677856  24.1132     113.46      8.76782     113.46      
1 1 1 13 21 14 o 36.2716 4.91368 2.71028      0.798486  2.78101      0.977148  27.7816     5.06429     10.245      185.064     
1 1 1 13 21 15 f 67.9438 3.93148 9.27641      1.49119   9.01569      1.24181   55.3176     77.2349     0           0           
1 1 1 13 21 16 o 18.2266 4.52309 0.00849728   0.559899  1.08317      0.609159  9.4416      132.779     4.29137     132.779     
1 1 1 13 21 17 o 27.6455 4.92436 2.2483       0.729456  1.0477       0.742361  12.3934     315.663     24.3807     135.663     
1 1 1 13 21 18 o 17.7642 4.26415 -0.426376    0.529441  1.27007      0.623971  12.2295     252.552     2.70368     252.552     
1 1 1 13 21 19 o 15.9847 4.5436  0.321343     0.556781  0.356937     0.594844  5.13351     178.318     14.2624     358.318     
1 1 1 13 21 20 o 39.9976 4.213   2.63201      0.821106  4.00808      0.843727  28.6532     199.597     15.1349     19.5972     
1 1 1 13 21 21 f 22.5097 4.9515  1.11258      0.624236  1.0811       0.654562  6.88781     127.591     0           0           
1 1 1 13 21 22 o 17.6511 4.2609  1.23545      0.595844  -0.542738    0.595693  9.78491     223.336     7.53911     43.3356     
1 1 1 13 21 23 o 14.4157 4.4449  0.11026      0.557312  -0.0212574   0.696825  6.2463      347.848     1.91174     167.848     
1 1 1 13 21 24 o 16.3467 4.28231 0.729759     0.417405  -0.297906    0.762028  6.29993     165.811     12.9594     345.811     
1 1 1 13 21 25 o 10.9839 3.25866 -0.0915694   0.305126  0.210642     0.335024  2.19448     290.58      5.05401     110.58      
1 1 1 13 21 26 o 42.5501 3.09889 3.7599       0.658772  3.47165      0.685587  44.1268     131.369     12.5004     131.369     
1 1 1 13 21 27 o 20.7254 4.07757 0.719348     0.455552  1.15937      0.469008  15.9308     88.8467     1.89719     268.847     
1 1 1 13 21 28 o 13.7381 3.93231 0.153986     0.445454  0.356204     0.431981  6.52487     60.8775     5.87255     240.878     
1 1 1 13 21 29 o 12.9028 3.90564 0.0589123    0.532712  0.180347     0.405242  5.87051     325.92      4.7554      145.92      
1 1 1 13 21 30 o 23.1434 4.56104 1.96677      0.686259  0.655315     0.514865  23.0001     338.146     9.37785     338.146     
1 1 1 13 21 31 o 9.54972 3.12661 -0.286479    0.375663  -0.139093    0.360504  0.771119    151.444     2.95007     331.444     
1 1 1 13 21 32 o 30.7501 4.06577 1.50087      0.610814  2.84849      0.623632  29.9277     343.277     8.10303     343.277     
1 1 1 13 21 33 o 20.6609 3.79479 1.89584      0.541945  -0.0793543   0.533551  15.8742     185.957     0.474751    5.9572      
1 1 1 13 21 34 o 12.3435 3.85646 0.233863     0.507123  -0.10544     0.469458  0.613401    56.7024     0.165629    236.702     
1 1 1 13 21 35 o 27.2902 5.44541 2.55187      0.793338  1.67404      0.89252   20.4255     208.519     4.06577     28.5187     
1 1 1 13 21 36 o 16.7887 4.78978 0.927766     0.718277  0.46735      0.565222  11.0456     76.7701     1.77433     76.7701     
1 1 1 13 21 37 o 24.6031 4.82983 1.31041      0.624297  1.96767      0.670053  21.2814     229.143     4.3985      229.143     
1 1 1 13 21 38 o 28.0898 4.91491 2.18382      0.714849  2.06661      0.708909  26.0309     246.477     8.09753     246.477     
1 1 1 13 21 39 o 19.523  4.92749 1.14165      0.632267  1.02694      0.628445  13.0935     171.756     0.813182    351.756     
1 1 1 13 21 40 o 14.1559 4.32931 0.515613     0.587178  0.182928     0.590553  5.46938     22.5756     2.02914     202.576     
1 1 1 13 21 41 o 12.9236 4.14614 0.0864398    0.563663  0.213287     0.637583  3.26202     336.729     1.05621     156.729     
1 1 1 13 21 42 o 16.6381 4.80158 0.615349     0.597432  0.967387     0.709779  10.7326     337.336     1.45358     337.336     
1 1 1 13 21 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 22 0  o 32.0976 3.21228 2.03538      0.503635  2.03538      0.503635  22.2758     90          16.1292     270         
1 1 1 13 22 1  o 75.8419 2.55099 10.874       1.03009   10.8417      0.968941  73.6466     37.044      5.15385     37.044      
1 1 1 13 22 2  o 37.8536 3.44906 2.45032      0.66863   3.16497      0.635902  39.0756     189.183     9.69684     189.183     
1 1 1 13 22 3  f 35.5671 4.38902 2.38675      0.775913  2.7518       0.78182   36.689      337.892     0           0           
1 1 1 13 22 4  o 46.0809 3.94637 4.47772      0.923271  3.94028      0.919793  43.5138     159.19      2.25483     159.189     
1 1 1 13 22 5  o 32.2865 4.54434 1.64624      0.732692  2.68458      0.732341  38.0564     350.357     21.2174     350.357     
1 1 1 13 22 6  o 58.3246 3.62868 7.54293      1.10274   5.80579      1.05798   67.4396     136.414     27.1065     136.414     
1 1 1 13 22 7  o 30.5975 4.82777 1.57926      0.749906  2.36396      0.751578  16.271      67.3322     22.5396     247.332     
1 1 1 13 22 8  o 15.062  4.47786 -0.172003    0.576191  0.408348     0.636331  6.66349     337.646     1.70867     157.646     
1 1 1 13 22 9  o 13.1382 4.00643 0.270849     0.4811    -0.564528    0.596166  3.73005     324.376     7.37023     144.376     
1 1 1 13 22 10 o 16.3357 4.55635 0.425286     0.566135  0.323968     0.572481  7.60874     318.069     8.80275     138.069     
1 1 1 13 22 11 o 16.9198 4.63754 0.308906     0.558987  0.574571     0.607266  8.94151     94.8312     6.98111     274.831     
1 1 1 13 22 12 o 24.2699 4.88793 0.84131      0.652929  1.6692       0.680105  24.3164     348.057     13.025      348.057     
1 1 1 13 22 13 f 13.7371 4.14378 -0.139102    0.515875  0.254782     0.540382  25.4335     157.449     0           0           
1 1 1 13 22 14 o 48.1263 4.30145 4.70059      0.887875  4.75848      1.17788   48.8612     207.477     10.2614     207.477     
1 1 1 13 22 15 o 18.0067 5.19911 0.408246     0.746833  0.465655     0.788325  8.19052     339.411     47.3505     339.411     
1 1 1 13 22 16 o 10.6562 3.52886 -0.209641    0.476736  -0.733499    0.52292   0.515315    58.974      2.74361     238.974     
1 1 1 13 22 17 o 33.5503 4.62223 2.57232      0.782482  2.21194      0.767124  33.4561     234.331     8.39291     234.331     
1 1 1 13 22 18 o 32.9004 4.65174 1.80403      0.74177   2.87068      0.790732  34.0981     128.439     11.4034     128.439     
1 1 1 13 22 19 o 22.374  5.02486 0.852004     0.644755  1.33174      0.681271  18.2508     162.041     0.879542    162.041     
1 1 1 13 22 20 o 26.785  4.94597 1.60111      0.681176  1.58073      0.707188  16.271      349.247     13.8054     169.247     
1 1 1 13 22 21 o 33.9795 4.61461 2.9374       0.777645  2.08556      0.783269  34.413      99.8859     9.79864     99.8859     
1 1 1 13 22 22 o 23.4288 4.86063 0.613061     0.642287  1.85731      0.7102    16.5672     318.987     6.09633     138.987     
1 1 1 13 22 23 o 20.6361 4.86615 0.476361     0.638825  1.35558      0.655428  18.3472     320.257     5.9763      320.257     
1 1 1 13 22 24 f 17.3325 4.61178 1.07008      0.640168  -0.1747      0.630028  12.2        164.842     0           0           
1 1 1 13 22 25 o 22.3723 4.99021 1.60787      0.675372  0.691646     0.701865  21.2031     127.094     7.60588     127.094     
1 1 1 13 22 26 o 16.8219 4.78656 0.701756     0.631935  0.261745     0.676691  8.36382     122.874     9.5894      302.874     
1 1 1 13 22 27 o 15.5694 4.74848 0.360631     0.740629  0.212789     0.652358  10.367      346.272     1.05798     346.272     
1 1 1 13 22 28 o 23.0278 4.76018 1.17231      0.558118  1.38491      0.649995  20.1545     312.204     3.15827     312.204     
1 1 1 13 22 29 o 37.6235 3.42243 3.11705      0.659951  2.87295      0.643654  34.358      80.7398     3.43978     80.7398     
1 1 1 13 22 30 o 17.2336 4.25909 0.698612     0.494646  0.657849     0.442843  10.1483     166.953     5.36652     346.953     
1 1 1 13 22 31 o 16.6895 4.18286 0.429485     0.475672  0.809034     0.457342  10.3229     296.221     3.49789     296.221     
1 1 1 13 22 32 o 13.8739 4.01005 0.34049      0.46583   0.32229      0.448698  6.42562     270.823     2.64078     90.823      
1 1 1 13 22 33 o 39.4313 3.75684 3.69779      0.734737  3.29259      0.75583   40.9287     10.7944     14.9543     10.7944     
1 1 1 13 22 34 o 41.3549 4.0767  4.78573      0.946587  3.30245      0.756725  42.3342     277.684     14.6143     277.684     
1 1 1 13 22 35 o 9.44441 3.13657 0.216963     0.4503    -1.1499      0.357709  0.608451    139.061     8.54262     139.061     
1 1 1 13 22 36 o 14.5461 4.23408 0.415896     0.524832  0.447596     0.504631  4.87337     50.0522     0.686662    230.052     
1 1 1 13 22 37 o 15.7895 4.57832 -0.57263     0.660115  1.28267      0.72337   7.40001     38.4494     3.91571     218.449     
1 1 1 13 22 38 o 13.783  4.26459 0.0994288    0.680448  0.405415     0.515273  1.66847     217.98      0.159196    37.9799     
1 1 1 13 22 39 o 14.545  3.96422 -0.623904    0.532767  1.06539      0.533325  5.57822     107.599     0.70062     107.599     
1 1 1 13 22 40 o 15.669  4.41745 1.11085      0.61601   0.0105312    0.557431  9.06572     331.1       1.31174     331.1       
1 1 1 13 22 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 23 0  o 42.2372 2.64846 3.40492      0.568886  3.40492      0.568886  50.634      270         22.3404     270         
1 1 1 13 23 1  o 54.3068 3.23526 5.61536      0.889213  5.86673      0.915399  53.4254     192.409     7.20305     192.409     
1 1 1 13 23 2  o 26.9904 4.57601 1.29411      0.6123    1.78949      0.657492  27.2158     103.085     9.66926     103.085     
1 1 1 13 23 3  o 42.0546 3.68411 3.76217      0.777082  3.28014      0.789388  30.7428     307.682     15.152      127.682     
1 1 1 13 23 4  o 60.1932 3.50749 8.16734      1.03089   6.13055      1.10233   64.214      39.4956     17.9152     39.4956     
1 1 1 13 23 5  o 36.1899 4.1524  2.61513      0.72606   2.73183      0.778366  43.8538     263.904     25.1532     263.904     
1 1 1 13 23 6  o 16.8793 4.36606 -0.0729589   0.496424  0.94436      0.593666  7.95027     91.1754     9.78361     271.175     
1 1 1 13 23 7  o 40.6939 4.05389 3.16864      0.801277  3.55415      0.861972  47.7581     118.128     23.4206     118.128     
1 1 1 13 23 8  o 37.4524 4.59901 2.81858      0.874937  3.04441      0.843776  40.3325     160.777     14.6378     160.777     
1 1 1 13 23 9  o 14.4256 4.37647 0.0701163    0.557942  0.111273     0.614321  1.41397     348.209     19.0103     168.209     
1 1 1 13 23 10 o 45.5097 3.99233 3.93801      0.885128  4.46215      0.958509  35.3362     114.357     11.9694     294.357     
1 1 1 13 23 11 o 32.035  4.58962 3.01429      0.738236  1.42948      0.739629  31.0063     331.478     6.42308     331.478     
1 1 1 13 23 12 o 41.3645 4.05393 3.98942      0.843512  3.03462      0.833209  39.4336     205.571     4.81705     205.571     
1 1 1 13 23 13 o 25.4483 4.98001 1.53405      0.679341  1.31065      0.682442  22.3818     6.18714     2.74341     6.18713     
1 1 1 13 23 14 o 45.2921 4.47059 4.07129      0.913321  4.52771      1.12326   49.0183     203.204     17.2707     203.204     
1 1 1 13 23 15 o 21.9882 4.91079 2.10767      0.844086  -0.493037    0.760941  18.9006     358.625     3.83206     358.625     
1 1 1 13 23 16 o 13.9606 3.96272 0.702299     0.540557  -0.959791    0.536385  4.72681     196.022     0.339208    16.0219     
1 1 1 13 23 17 f 28.724  4.86758 1.52688      0.708252  2.149        0.732014  34.6638     220.866     0           0           
1 1 1 13 23 18 o 34.55   4.72238 2.00596      0.79502   3.28422      0.830782  29.3761     274.042     1.8719      94.0418     
1 1 1 13 23 19 o 47.1132 3.94168 3.95828      0.922841  5.311        0.946015  42.1044     243.354     0.080903    63.3552     
1 1 1 13 23 20 f 48.3879 4.0415  4.66298      0.978103  5.19487      1.00896   44.1259     211.644     0           0           
1 1 1 13 23 21 o 19.2858 5.03947 0.760411     0.640952  0.84269      0.691861  14.1016     181.659     1.64116     1.65857     
1 1 1 13 23 22 f 32.1338 4.99005 2.24157      0.800119  2.54612      0.817525  35.7236     196.081     0           0           
1 1 1 13 23 23 o 13.0117 4.10612 0.22541      0.577376  -0.405866    0.583032  5.49836     232.79      0.456377    52.7903     
1 1 1 13 23 24 o 23.8631 5.2269  1.03441      0.691473  1.81722      0.765322  13.3177     227.29      13.6753     47.2898     
1 1 1 13 23 25 o 20.4067 5.11464 1.31186      0.68926   0.668952     0.715776  13.6841     274.129     5.33886     94.1287     
1 1 1 13 23 26 o 26.2446 5.3273  2.33572      0.777006  1.21382      0.854592  27.1524     298.457     13.0604     298.457     
1 1 1 13 23 27 o 14.1107 4.53293 -0.282239    0.788807  0.193531     0.683411  5.5433      311.669     7.71821     131.669     
1 1 1 13 23 28 o 15.6046 4.83704 -0.392921    0.691064  0.896163     0.852222  7.9095      0.731763    4.68243     180.732     
1 1 1 13 23 29 o 14.5618 4.41753 -0.856821    0.686355  0.83676      0.678757  5.99279     285.174     7.62005     105.174     
1 1 1 13 23 30 o 16.8261 5.00778 0.924599     0.755496  0.191354     0.781589  9.89239     278.163     3.52003     98.1633     
1 1 1 13 23 31 o 23.3806 4.47933 1.6705       0.551958  1.07919      0.595678  20.992      153.251     5.67686     153.251     
1 1 1 13 23 32 o 32.6062 4.04136 3.0662       0.660265  1.96829      0.640424  29.6634     54.1975     5.15866     54.1975     
1 1 1 13 23 33 o 14.0792 3.87502 0.946709     0.52545   -0.483607    0.441929  3.39977     356.356     0.131598    356.356     
1 1 1 13 23 34 o 22.4775 4.17609 0.502887     0.583596  2.06187      0.570398  17.5091     134.751     1.3178      134.751     
1 1 1 13 23 35 o 14.9931 4.28527 0.459615     0.534005  0.524333     0.499228  6.38961     0.895198    3.90557     180.895     
1 1 1 13 23 36 o 9.64161 3.2245  0.112885     0.467906  -0.890621    0.397879  0.0343588   12.1475     1.4444      192.147     
1 1 1 13 23 37 o 15.7284 4.29849 0.103206     0.549522  1.00766      0.543289  7.17414     152.692     1.91457     152.692     
1 1 1 13 23 38 o 9.93032 3.28577 0.321452     0.486337  -1.31379     0.41247   0.84946     209.299     3.57816     29.2994     
1 1 1 13 23 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 24 0  o 6.95709 3.59313 -1.77899     0.788584  -1.77899     0.788584  1.45395     90          4.57277     90          
1 1 1 13 24 1  o 17.5675 4.37988 0.293792     0.575971  0.794057     0.473186  8.46149     162.573     10.3065     342.573     
1 1 1 13 24 2  o 17.9306 4.32828 0.851477     0.480485  0.358758     0.529214  8.34141     195.594     11.6023     15.5935     
1 1 1 13 24 3  o 31.5126 4.33788 2.07532      0.682178  2.09114      0.684001  34.5599     17.4171     15.87       17.4171     
1 1 1 13 24 4  o 65.2881 3.2848  8.77486      1.10018   7.98987      1.106     73.9002     237.554     29.2039     237.554     
1 1 1 13 24 5  o 19.5498 4.82628 0.78318      0.58706   0.77018      0.616341  10.3593     200.831     10.6243     20.8309     
1 1 1 13 24 6  o 13.0777 3.96494 -0.195713    0.448129  0.281489     0.528709  3.48103     207.199     2.29227     27.1993     
1 1 1 13 24 7  o 17.8201 4.62797 0.227156     0.557881  0.908373     0.608876  12.2105     297.277     0.857091    297.277     
1 1 1 13 24 8  o 33.4715 4.56457 2.11983      0.753428  2.66511      0.771977  35.2811     218.3       13.0092     218.3       
1 1 1 13 24 9  o 26.2081 5.36679 1.24766      0.755965  1.87528      0.803974  20.4134     345.665     3.27338     165.665     
1 1 1 13 24 10 o 21.1868 4.43679 -0.163601    0.563988  1.93022      0.723236  18.4953     320.807     4.91333     320.807     
1 1 1 13 24 11 o 14.9645 4.35082 0.618618     0.55756   -0.68776     0.701696  4.33379     92.5753     0.909715    92.5753     
1 1 1 13 24 12 o 32.6987 4.79952 2.31978      0.781802  2.37345      0.79191   30.3846     336.628     4.1544      336.628     
1 1 1 13 24 13 o 20.3678 4.61857 1.58845      0.664549  -0.0601834   0.658904  15.545      240.216     0.93629     60.2158     
1 1 1 13 24 14 f 34.278  5.21024 2.77831      0.795634  2.56551      0.998457  33.6202     94.0202     0           0           
1 1 1 13 24 15 f 21.3113 5.27803 1.6769       0.8225    0.206985     0.76883   26.5672     153.561     0           0           
1 1 1 13 24 16 o 16.6473 4.41413 -0.282661    0.560368  1.03858      0.618148  11.436      125.159     3.67929     125.159     
1 1 1 13 24 17 o 12.5708 4.01821 0.00653291   0.571221  -0.277889    0.552076  4.89258     165.889     3.97602     345.889     
1 1 1 13 24 18 o 27.0036 5.02678 1.63113      0.710718  1.79274      0.716628  25.4816     29.4874     6.00077     29.4874     
1 1 1 13 24 19 o 15.386  4.37534 0.850995     0.614289  -0.539322    0.614034  6.97194     124.023     9.40275     304.023     
1 1 1 13 24 20 o 14.9477 4.28792 0.834981     0.609369  -0.600346    0.584335  6.20258     88.2505     10.2982     268.251     
1 1 1 13 24 21 o 19.1233 5.06331 1.06577      0.69526   0.593895     0.680391  2.63957     127.755     26.6196     307.755     
1 1 1 13 24 22 o 15.4561 4.5106  0.750042     0.628874  -0.196102    0.625952  3.66572     81.8644     16.8467     261.864     
1 1 1 13 24 23 o 18.1369 4.78333 1.31855      0.691333  -0.0988766   0.685147  12.3142     254.692     2.36063     74.6922     
1 1 1 13 24 24 o 26.4302 5.69905 1.81042      0.927023  2.01421      0.798265  24.6379     354.238     7.20637     354.238     
1 1 1 13 24 25 o 16.1205 4.90958 0.364083     0.702984  0.489774     0.782798  6.5174      84.0318     2.04698     84.0318     
1 1 1 13 24 26 f 24.1287 5.75664 1.36651      0.800119  2.02843      0.916671  19.8776     101.642     0           0           
1 1 1 13 24 27 o 25.2834 6.04518 2.86752      1.03342   1.09987      1.05321   18.8284     21.6107     2.81786     201.611     
1 1 1 13 24 28 o 13.8164 4.55032 0.0152259    0.710219  -0.230672    0.891265  4.09789     303.896     0.0903      303.896     
1 1 1 13 24 29 o 10.2866 3.52439 -1.13811     0.604     -0.28334     0.580715  0.438326    254.44      1.01489     74.4398     
1 1 1 13 24 30 o 16.2345 4.83084 1.03471      0.736567  -0.0270602   0.731188  9.02697     226.852     0.757046    226.852     
1 1 1 13 24 31 o 15.0866 4.80924 0.0646932    0.775621  0.546644     0.820208  6.05711     7.07546     6.35032     187.075     
1 1 1 13 24 32 o 13.1906 4.43903 -0.581094    0.742372  0.144028     0.897734  3.02078     198.43      6.77742     18.4298     
1 1 1 13 24 33 o 27.978  6.17757 1.972        1.04915   3.43911      1.05654   26.657      104.011     11.9992     104.011     
1 1 1 13 24 34 o 26.4388 4.98981 2.35913      0.630012  1.63104      0.889124  20.2643     19.9783     0.953462    199.978     
1 1 1 13 24 35 f 12.436  3.74554 0.644133     0.50444   -0.359329    0.408013  5.0468      331.164     0           0           
1 1 1 13 24 36 o 27.8356 4.61421 1.9983       0.673948  2.13771      0.635906  26.3923     29.4311     9.55694     29.4311     
1 1 1 13 24 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 25 0  o 43.965  6.62323 4.44347      1.3265    4.44347      1.3265    37.0178     270         6.10944     90          
1 1 1 13 25 1  o 17.3228 5.44818 0.0594754    0.951208  0.168918     1.01435   11.1117     45.2255     2.02271     45.2255     
1 1 1 13 25 2  o 21.6086 4.25902 0.124405     0.650733  1.67631      0.554182  13.0706     343.847     9.78421     163.847     
1 1 1 13 25 3  o 14.8875 4.06369 0.64159      0.470993  -0.127076    0.504165  8.14654     281.79      0.420573    101.79      
1 1 1 13 25 4  o 14.6461 4.16278 -0.133313    0.495057  0.58784      0.528897  4.26324     61.8621     1.03846     61.8621     
1 1 1 13 25 5  o 31.3441 4.48102 1.96473      0.694155  2.29957      0.712046  20.6926     330.526     13.4115     150.526     
1 1 1 13 25 6  o 26.566  4.86931 1.81398      0.672898  1.36764      0.690401  24.3039     304.746     4.3557      304.746     
1 1 1 13 25 7  o 20.2738 4.96308 0.95096      0.623769  0.839548     0.649947  14.5299     193.562     9.11569     193.562     
1 1 1 13 25 8  o 27.5292 5.07182 2.07823      0.747955  1.41825      0.73177   24.1654     109.357     1.95433     109.357     
1 1 1 13 25 9  o 37.993  4.81392 3.80779      0.989302  2.65456      0.83916   40.2876     106.515     14.6249     106.515     
1 1 1 13 25 10 o 44.2425 4.9782  4.12831      1.09687   4.66615      1.10675   30.1387     156.442     18.2995     336.442     
1 1 1 13 25 11 o 40.6111 4.37661 3.60489      0.869629  3.54429      0.91325   47.0348     80.0708     23.6104     80.0708     
1 1 1 13 25 12 o 17.2249 4.59482 0.949519     0.596765  0.0266779    0.623869  12.8386     270.775     4.03062     270.775     
1 1 1 13 25 13 o 12.6841 3.91359 0.449501     0.548981  -1.0387      0.565473  5.19242     150.767     1.66739     330.767     
1 1 1 13 25 14 o 40.8795 5.00068 5.56394      0.930578  2.34825      1.00819   33.2568     234.917     5.22527     54.9168     
1 1 1 13 25 15 o 47.1635 4.87286 5.6145       1.14689   4.60348      1.15029   39.7205     304.509     3.71625     124.509     
1 1 1 13 25 16 o 14.5618 4.50434 0.53143      0.719754  -0.317187    0.599335  8.17595     131.513     1.4563      131.513     
1 1 1 13 25 17 o 15.6038 4.40354 0.897496     0.615073  -0.389724    0.600685  10.1912     291.689     0.64208     111.689     
1 1 1 13 25 18 o 35.6046 5.02987 2.01208      0.903009  4.21011      0.894354  29.9222     230.161     1.42376     50.1614     
1 1 1 13 25 19 o 24.9175 5.31844 2.04068      0.795357  1.17625      0.729708  22.9546     0.895247    6.30637     0.895247    
1 1 1 13 25 20 o 18.9097 5.07627 1.22937      0.724735  0.409517     0.70846   9.18086     156.234     11.3172     336.234     
1 1 1 13 25 21 o 26.9205 5.39159 2.05863      0.79898   1.77631      0.776706  14.3855     253.781     16.2326     73.7815     
1 1 1 13 25 22 o 24.0394 5.56962 1.25797      0.775266  1.97115      0.847979  12.3548     163.165     14.6033     343.165     
1 1 1 13 25 23 o 31.4956 5.44324 1.86157      0.872061  3.56892      0.951106  30.5888     21.6289     9.61156     21.6289     
1 1 1 13 25 24 o 12.7062 4.1759  -0.164215    0.623894  -0.160323    0.70132   3.2504      299.728     1.17981     119.728     
1 1 1 13 25 25 o 16.4392 4.57399 1.37897      0.721421  -0.956919    0.716511  10.5683     169.691     1.43344     169.691     
1 1 1 13 25 26 o 11.0388 3.75511 -0.712551    0.629572  -0.368065    0.635966  0.403761    55.5289     12.5904     235.529     
1 1 1 13 25 27 o 22.7645 5.70008 2.46641      0.947109  0.776611     0.907698  17.1676     310.544     0.160679    130.544     
1 1 1 13 25 28 o 14.4792 4.61846 0.455192     0.712281  -0.119273    0.792524  5.01678     312.592     7.89857     132.592     
1 1 1 13 25 29 f 24.214  5.55622 2.35223      0.820303  1.27641      0.909104  14.0346     283.368     0           0           
1 1 1 13 25 30 f 15.142  4.70652 -0.458897    0.736138  0.970424     0.785827  10.3554     354.146     0           0           
1 1 1 13 25 31 o 14.9975 4.75044 0.528366     0.789329  0.214301     0.734374  5.87251     177.174     6.45648     357.174     
1 1 1 13 25 32 o 10.4659 3.64106 -0.453861    0.670182  -1.48779     0.748353  0.710785    127.756     6.10937     307.756     
1 1 1 13 25 33 o 11.6142 3.98813 -0.301254    0.828472  -0.63041     0.646473  2.48912     27.5023     4.91672     207.502     
1 1 1 13 25 34 o 15.5508 4.76487 -0.287023    0.763439  1.13623      0.771851  8.53097     75.5884     2.26988     255.588     
1 1 1 13 25 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 26 0  o 15.2087 6.65429 0.641325     1.03832   0.641325     1.03832   10.2051     270         2.18055     270         
1 1 1 13 26 1  o 22.0176 6.12141 0.25704      1.09135   1.85911      1.10283   19.8022     155.599     7.36305     155.599     
1 1 1 13 26 2  o 22.6483 5.71467 2.39498      1.05025   -0.483217    1.0387    19.1556     257.512     2.55393     257.512     
1 1 1 13 26 3  o 12.4557 3.81088 0.296871     0.499172  -0.224345    0.42333   4.59878     37.2344     6.45778     217.234     
1 1 1 13 26 4  o 16.4619 4.51079 0.541161     0.528939  0.469215     0.571888  7.51757     283.261     3.8796      283.261     
1 1 1 13 26 5  o 15.855  4.45962 0.688985     0.57071   0.0776355    0.57274   8.33447     297.564     7.07333     117.564     
1 1 1 13 26 6  o 14.553  4.38015 0.339046     0.561167  0.0554166    0.610935  6.68586     337.398     7.61398     157.398     
1 1 1 13 26 7  o 30.0843 4.84263 3.25802      0.810838  1.12397      0.763384  27.1215     211.249     3.16558     211.249     
1 1 1 13 26 8  o 23.2488 5.13609 1.75042      0.718087  0.86444      0.723246  17.8675     217.404     2.36183     37.4043     
1 1 1 13 26 9  f 24.53   5.19276 1.78256      0.717522  1.17613      0.738902  19.1619     257.417     0           0           
1 1 1 13 26 10 o 33.7399 5.30954 2.33699      0.884376  3.24631      0.933032  26.4789     338.033     5.11861     158.033     
1 1 1 13 26 11 o 41.8994 4.50656 4.29729      0.953147  3.64672      0.937483  40.9442     299.049     9.14369     299.049     
1 1 1 13 26 12 f 17.3341 5.02784 0.582979     0.747235  0.558575     0.697014  16.7207     107.875     0           0           
1 1 1 13 26 13 o 36.5523 5.04966 3.60084      0.926078  2.82886      0.916664  30.6427     348.819     1.50795     168.819     
1 1 1 13 26 14 o 15.1744 4.46402 -0.380065    0.584468  0.838419     0.670908  7.1735      216.423     7.15663     36.4233     
1 1 1 13 26 15 o 14.7461 4.69749 0.148392     0.769165  0.0131976    0.744238  6.90531     350.553     5.48666     170.553     
1 1 1 13 26 16 o 19.8645 5.23437 0.171076     0.826296  1.58995      0.791151  13.9467     312.583     1.84012     132.583     
1 1 1 13 26 17 o 35.4609 5.21951 2.76172      0.875111  3.59606      0.984306  34.6925     182.197     10.0815     182.197     
1 1 1 13 26 18 o 16.6853 4.77694 0.915834     0.662686  0.109312     0.692585  9.9217      35.7572     2.37274     35.7572     
1 1 1 13 26 19 o 12.6191 4.10106 -0.226735    0.587511  0.0154243    0.639577  3.99816     1.93339     3.6354      181.933     
1 1 1 13 26 20 o 14.2591 4.41768 -0.2001      0.612938  0.549727     0.66669   6.65432     287.709     2.2415      107.709     
1 1 1 13 26 21 o 16.232  4.90735 0.429039     0.696958  0.60015      0.767474  9.42422     69.6712     2.3915      249.671     
1 1 1 13 26 22 o 20.6928 5.44063 0.875849     0.793812  1.58148      0.806283  13.4196     83.5053     4.88207     263.505     
1 1 1 13 26 23 o 21.988  5.57445 1.91682      0.847018  0.99886      0.832954  16.7928     153.04      0.610396    153.04      
1 1 1 13 26 24 o 15.1416 4.74909 0.223221     0.753465  0.464557     0.7364    7.08959     276.076     3.37163     96.0755     
1 1 1 13 26 25 o 16.3317 4.86339 0.123749     0.747896  0.95988      0.72119   6.747       134.677     1.40257     134.677     
1 1 1 13 26 26 o 21.589  5.03699 0.0833766    0.898146  2.28176      0.783538  17.0153     234.923     7.27458     234.923     
1 1 1 13 26 27 o 23.4812 6.07807 1.86921      0.957019  1.9589       0.974513  17.398      83.8594     0.462312    83.8594     
1 1 1 13 26 28 o 15.2825 4.46638 1.35003      0.738584  -1.32978     0.699628  5.05327     284.281     0.532208    284.281     
1 1 1 13 26 29 f 19.4858 5.38751 0.181334     0.827079  2.10781      0.926067  15.452      115.762     0           0           
1 1 1 13 26 30 o 16.9052 4.84509 1.63357      0.800123  -0.500184    0.750995  8.20802     203.432     7.16434     23.4325     
1 1 1 13 26 31 o 11.0998 3.78523 -1.26682     0.648464  0.0585232    0.675285  1.88967     105.889     2.74993     285.889     
1 1 1 13 26 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 27 0  o 10.1903 5.05565 -0.694753    1.01703   -0.694753    1.01703   1.40836     90          3.65299     270         
1 1 1 13 27 1  o 16.996  5.46957 -0.641649    1.20054   0.659019     1.02356   11.0966     54.2348     1.89672     54.2348     
1 1 1 13 27 2  o 15.0673 4.98726 -2.06488     1.06302   0.579202     1.037     6.58346     118.037     7.89486     298.036     
1 1 1 13 27 3  o 33.1873 8.01284 4.45038      1.77499   3.62305      1.53408   22.4019     310.565     10.9012     130.565     
1 1 1 13 27 4  o 18.7557 4.93404 1.06631      0.714288  0.587687     0.570792  14.1439     114.051     1.42374     114.051     
1 1 1 13 27 5  o 24.2414 5.07036 1.84053      0.711208  1.10917      0.687249  24.6243     248.639     15.13       248.639     
1 1 1 13 27 6  o 31.2185 5.19866 2.03176      0.800851  2.84159      0.86342   27.937      158.469     3.77891     158.469     
1 1 1 13 27 7  o 37.5943 4.90996 3.62488      0.883268  3.13704      0.951472  42.5631     1.49514     22.3332     1.49514     
1 1 1 13 27 8  o 26.7232 5.28824 2.30696      0.785086  1.39588      0.785904  25.0796     196.903     7.57304     196.903     
1 1 1 13 27 9  o 20.8914 4.79277 1.84321      0.702805  0.0598795    0.742805  18.1249     339.302     7.09832     339.302     
1 1 1 13 27 10 o 18.0716 5.03164 1.26208      0.769779  0.112069     0.705417  10.8987     227.245     4.42265     47.2451     
1 1 1 13 27 11 o 18.0116 5.0601  0.26929      0.666149  1.19229      0.786941  11.9326     92.3008     0.701459    272.301     
1 1 1 13 27 12 o 25.3998 5.3598  1.21888      0.778185  2.26154      0.805281  15.7232     307.236     10.0171     127.236     
1 1 1 13 27 13 o 13.6346 4.31709 0.272702     0.641506  -0.166301    0.62825   4.65956     30.8071     0.868643    210.807     
1 1 1 13 27 14 o 17.1771 4.78958 -0.133089    0.68653   1.22463      0.711453  9.62957     190.531     3.86776     190.531     
1 1 1 13 27 15 o 23.4615 5.75019 1.70202      0.777139  1.52326      0.972276  17.8022     320.518     0.888082    140.518     
1 1 1 13 27 16 o 20.5161 5.43119 1.91402      0.912301  0.460089     0.725368  16.8774     138.189     6.85004     138.189     
1 1 1 13 27 17 o 14.0128 4.29843 0.827992     0.675069  -1.02367     0.651332  3.94134     32.9266     0.530196    32.9266     
1 1 1 13 27 18 o 17.5808 4.94679 1.35206      0.753252  -0.115362    0.763697  12.0041     339.01      3.42086     339.01      
1 1 1 13 27 19 o 15.823  4.79599 0.113486     0.703569  0.804746     0.734259  8.69188     354.456     0.87343     174.456     
1 1 1 13 27 20 o 15.6006 4.77295 -0.0884835   0.701107  0.891014     0.765634  4.0691      210.703     1.03459     210.703     
1 1 1 13 27 21 o 14.2594 4.50003 -0.433456    0.697363  0.660847     0.720879  2.03135     237.46      0.0953633   57.46       
1 1 1 13 27 22 o 27.9678 5.64068 3.35306      0.953069  1.49717      0.918378  24.3905     199.486     5.7175      199.486     
1 1 1 13 27 23 o 17.9724 5.17445 0.948986     0.779898  0.839259     0.735473  10.1615     173.026     2.36911     353.026     
1 1 1 13 27 24 o 11.7748 3.93454 -0.300983    0.636861  -0.233614    0.627303  1.66206     275.441     5.11675     95.4408     
1 1 1 13 27 25 o 9.60685 3.36363 -0.83625     0.627872  -1.13303     0.621146  0.0362673   64.0343     2.49014     64.0342     
1 1 1 13 27 26 o 19.9054 5.68501 1.26474      0.919391  1.46435      0.898845  14.0606     91.6818     1.87841     91.6818     
1 1 1 13 27 27 o 20.1504 5.80885 1.7279       0.897045  1.21153      1.12135   14.2104     30.7738     0.798308    30.7738     
1 1 1 13 27 28 o 17.7125 5.20948 0.738958     0.850506  1.12565      0.762783  11.2577     90.3149     4.05157     90.3149     
1 1 1 13 27 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 28 0  o 12.0132 5.92338 -0.443278    1.33577   -0.443278    1.33577   1.37243     90          0.951391    270         
1 1 1 13 28 1  o 12.3274 4.3359  -1.85031     1.06176   -1.39289     1.10122   3.22938     110.807     3.60176     290.807     
1 1 1 13 28 2  o 26.313  7.58613 1.62446      1.85849   4.24281      1.72617   15.055      109.492     12.0835     289.492     
1 1 1 13 28 3  o 14.3982 5.16353 -1.81528     1.07546   -1.55554     2.18152   5.2883      107.575     0.775314    287.575     
1 1 1 13 28 4  o 22.2032 7.28248 0.444629     1.18656   4.79578      2.53847   16.9129     57.5727     2.7174      57.5727     
1 1 1 13 28 5  o 17.3172 5.1733  0.341491     1.10843   0.743075     0.621695  10.6506     213.795     2.04872     33.7952     
1 1 1 13 28 6  o 20.3688 5.17494 1.19534      0.668469  1.00167      0.736636  16.4108     117.928     4.37624     117.928     
1 1 1 13 28 7  o 15.2759 4.59523 0.330959     0.63105   0.445454     0.643413  6.83793     241.735     1.37497     241.735     
1 1 1 13 28 8  o 19.1997 5.21368 1.0589       0.723564  0.878193     0.739024  13.998      59.281      1.08768     59.2811     
1 1 1 13 28 9  o 14.9063 4.54161 -0.0232755   0.640715  0.61248      0.663447  7.59799     339.558     0.390959    159.558     
1 1 1 13 28 10 o 12.2714 4.04723 -0.547387    0.623908  0.0619576    0.652485  3.27256     191.77      2.03926     11.7698     
1 1 1 13 28 11 o 25.8215 5.57876 2.84393      0.913322  1.07563      0.90208   21.9031     318.758     3.20928     318.758     
1 1 1 13 28 12 o 12.7587 4.19645 -0.266001    0.635471  -0.0139887   0.704749  4.26784     150.789     3.05684     330.789     
1 1 1 13 28 13 o 12.3894 4.09805 -0.490655    0.607324  0.086121     0.699406  3.51983     11.8533     5.02047     191.853     
1 1 1 13 28 14 o 16.5715 4.91601 1.00122      0.727102  0.0446495    0.792122  9.57994     138.02      0.812519    318.02      
1 1 1 13 28 15 o 13.4819 4.43264 -1.03961     0.594676  0.799423     0.876747  4.25985     12.3458     6.19494     192.346     
1 1 1 13 28 16 f 16.8849 5.18779 0.503314     0.889988  0.771473     0.814493  11.0484     91.1281     0           0           
1 1 1 13 28 17 o 17.8217 5.29205 0.883469     0.807486  0.821911     0.848373  9.9668      185.897     2.85397     5.89747     
1 1 1 13 28 18 o 21.8097 5.38303 0.574271     0.806848  2.25769      0.863856  12.3481     224.236     7.45323     224.236     
1 1 1 13 28 19 o 13.7448 4.47829 0.238939     0.742023  -0.183038    0.745502  3.93575     80.3122     3.90073     260.312     
1 1 1 13 28 20 o 15.9451 4.8937  0.346956     0.771156  0.701161     0.743352  5.97555     351.257     0.622123    351.257     
1 1 1 13 28 21 o 13.8767 4.41403 0.756834     0.746212  -0.583333    0.63925   3.06734     256.63      0.659983    76.6305     
1 1 1 13 28 22 o 14.343  4.57397 0.320915     0.731592  0.222474     0.70737   5.72202     339.903     3.01277     159.903     
1 1 1 13 28 23 o 20.862  5.39172 2.12046      0.854356  0.680652     0.790227  15.1593     119.325     0.78825     119.325     
1 1 1 13 28 24 o 19.5272 5.22749 1.80863      0.794691  0.485513     0.803557  13.8151     42.2693     0.724517    42.2693     
1 1 1 13 28 25 o 19.6192 5.3005  0.0808592    0.819632  2.21106      0.905179  14.8372     203.428     3.40857     203.428     
1 1 1 13 28 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 29 0  o 17.6851 7.62615 1.44497      1.31875   1.44497      1.31875   12.3475     270         2.88925     90          
1 1 1 13 29 1  o 15.0364 5.06903 -0.354776    1.12153   0.0244504    1.07649   6.1331      193.647     6.58619     13.6465     
1 1 1 13 29 2  o 14.9669 5.03562 -1.76457     1.08621   0.818682     1.13267   6.02899     258.888     0.445716    78.8877     
1 1 1 13 29 3  o 18.6974 5.87926 2.26404      1.29739   -1.29459     1.29364   12.1185     280.737     0.30126     280.737     
1 1 1 13 29 4  o 16.9786 5.61591 0.205023     1.20691   0.641289     1.25504   8.78994     107.434     1.45128     107.434     
1 1 1 13 29 5  o 19.4927 6.09047 2.56439      1.38148   -0.719886    1.25246   13.2482     329.832     2.42237     329.832     
1 1 1 13 29 6  o 15.0314 4.92135 0.11994      1.31852   0.227531     0.562907  6.15499     151.458     5.77609     331.458     
1 1 1 13 29 7  o 28.9752 5.57517 2.84267      0.879197  2.01812      0.869223  29.9815     249.147     17.4086     249.147     
1 1 1 13 29 8  o 12.4596 4.12122 -0.449055    0.661299  0.0378166    0.67379   2.56165     117.233     3.50853     297.233     
1 1 1 13 29 9  o 21.1032 5.58465 1.7352       0.852189  0.987452     0.839062  15.9099     103.656     6.13155     103.656     
1 1 1 13 29 10 o 28.3387 5.4805  3.34854      0.908924  1.4524       0.925788  26.9894     81.8341     11.3725     81.8341     
1 1 1 13 29 11 o 16.2477 4.99037 0.393567     0.773024  0.722898     0.795098  0.647432    49.6368     0.151811    49.6368     
1 1 1 13 29 12 o 19.1332 5.53087 1.34615      0.839416  0.783912     0.961873  11.9357     305.733     1.7133      305.733     
1 1 1 13 29 13 o 15.4086 4.86503 0.347719     0.811809  0.410593     0.773622  2.2182      180.512     0.170656    180.512     
1 1 1 13 29 14 o 18.1846 5.50209 1.1538       0.896135  0.668585     0.984421  1.81364     216.622     0.816916    216.622     
1 1 1 13 29 15 o 20.734  5.94868 1.36024      0.932163  1.64483      1.06246   11.0376     17.6263     6.0063      17.6263     
1 1 1 13 29 16 o 15.6307 5.23508 -0.144945    0.961263  0.66393      1.25884   4.64598     147.155     11.6599     327.155     
1 1 1 13 29 17 o 10.8163 3.75241 -0.785452    0.712032  -0.838214    0.727564  0.985723    211.873     5.0377      31.8727     
1 1 1 13 29 18 o 15.8084 4.97228 0.717971     0.841146  0.367718     0.799946  7.90868     185.469     2.73238     5.46862     
1 1 1 13 29 19 o 16.4236 5.01364 0.152738     0.830063  1.09936      0.799553  9.28731     158.889     0.643008    338.889     
1 1 1 13 29 20 o 12.2457 4.09422 0.258645     0.712183  -0.921168    0.69975   2.12158     2.58667     0.965599    182.587     
1 1 1 13 29 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 29 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 30 0  o 18.9984 7.7126  1.67675      1.20941   1.67675      1.20941   13.7441     90          1.48685     270         
1 1 1 13 30 1  o 15.4783 5.15833 0.866921     1.12543   -0.956674    1.07063   6.29192     124.44      2.40245     304.44      
1 1 1 13 30 2  o 19.5095 6.02511 0.652064     1.20753   1.78365      1.16962   8.38517     262.768     3.85891     262.768     
1 1 1 13 30 3  o 16.5031 5.3408  -1.32954     1.11363   1.4918       1.12658   7.5446      183.624     5.06965     3.62364     
1 1 1 13 30 4  o 18.6947 5.87875 1.64787      1.17973   0.387236     1.17195   4.90813     251.874     2.2232      251.874     
1 1 1 13 30 5  o 17.1139 5.63081 1.16832      1.28913   0.0390892    1.12608   8.42191     151.673     4.32611     331.673     
1 1 1 13 30 6  f 15.8732 5.31531 -0.159135    1.26535   0.45807      1.1014    11.302      63.2562     0           0           
1 1 1 13 30 7  o 16.739  5.50451 1.06352      1.36198   0.222095     0.904992  8.45526     285.749     2.21194     105.749     
1 1 1 13 30 8  o 16.7986 4.61538 -0.682547    0.714982  1.49921      0.717998  5.47866     140.801     2.07582     140.801     
1 1 1 13 30 9  o 18.7259 5.28415 0.649757     0.81052   1.39305      0.791101  8.43632     241.834     4.16191     241.834     
1 1 1 13 30 10 o 18.3952 5.37871 1.03201      0.844457  1.02939      0.826008  8.15924     264.988     3.83107     264.988     
1 1 1 13 30 11 o 12.6674 4.19804 -0.983618    0.700299  0.422666     0.738229  3.19093     112.064     2.73201     292.064     
1 1 1 13 30 12 o 16.6072 5.21977 0.384573     0.94302   0.95642      0.889971  8.78986     232.004     1.40947     232.004     
1 1 1 13 30 13 o 17.8079 5.29822 0.746696     0.857421  1.14567      0.824511  10.7194     351.987     1.99727     171.987     
1 1 1 13 30 14 o 29.897  6.14051 3.67362      1.07449   2.41401      0.979834  26.4462     189.074     6.81305     189.074     
1 1 1 13 30 15 o 14.244  4.63981 0.469494     0.829028  -0.105323    0.758063  6.34126     261.782     1.36501     81.782      
1 1 1 13 30 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 30 17 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 31 0  o 19.6097 7.85949 1.89871      1.23353   1.89871      1.23353   15.951      270         8.01784     270         
1 1 1 13 31 1  o 12.3818 4.33772 -0.64789     1.01397   -1.66418     1.09835   2.62561     18.343      1.47792     198.343     
1 1 1 13 31 2  f 18.1443 5.80344 1.97279      1.25332   -0.0320818   1.1707    7.54934     39.9779     0           0           
1 1 1 13 31 3  o 17.8535 5.73432 2.0119       1.26287   -0.290703    1.13733   11.1929     64.7407     2.5534      64.7407     
1 1 1 13 31 4  o 15.1436 5.12492 0.0372995    1.16328   0.103482     1.12313   6.38675     183.567     0.715696    183.567     
1 1 1 13 31 5  o 15.0979 5.09596 -0.158775    1.1651    0.286821     1.07811   7.31692     84.2367     2.64854     264.237     
1 1 1 13 31 6  o ?       ?       ?            ?         ?            ?         6.29173     290.669     0           0           
1 1 1 13 31 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 31 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 31 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 13 31 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 0  0  o 45.5413 7.57215 4.38779      1.55292   4.38779      1.55292   116.785     2.22939e-05 326.358     2.22939e-05 
1 1 1 14 0  1  o 515.199 4.15819 487.987      11.1015   487.987      11.1015   677.9       270         233.545     270         
1 1 1 14 0  2  o 61.8145 3.80392 7.1763       1.19672   7.1763       1.19672   5.34294     0           123.173     180         
1 1 1 14 0  3  o 12.2858 5.41726 0.168956     0.701594  0.168956     0.701594  59.5875     270         127.393     270         
1 1 1 14 0  4  f 188.466 2.90944 65.2797      2.83926   65.2797      2.83926   156.825     180         0           0           
1 1 1 14 0  5  o 308.003 2.81187 174.176      4.48763   174.176      4.48763   364.16      270         58.4597     270         
1 1 1 14 0  6  o 94.857  2.8085  16.599       1.37542   16.599       1.37542   122.725     180         39.4845     180         
1 1 1 14 0  7  o 125.659 2.65999 29.0519      1.7291    29.0519      1.7291    134.555     270         3.74838     90          
1 1 1 14 0  8  f 69.9761 2.98171 9.08561      1.07246   9.08561      1.07246   129.509     4.11588e-07 0           0           
1 1 1 14 0  9  o 126.333 2.50233 29.3528      1.63577   29.3528      1.63577   145.25      270         16.7534     270         
1 1 1 14 0  10 o 148.456 2.29676 40.4905      1.76553   40.4905      1.76553   110.472     180         100.337     8.65876e-06 
1 1 1 14 0  11 o 291.942 2.41445 156.449      3.65268   156.449      3.65268   386.29      270         141.645     270         
1 1 1 14 0  12 o 20.4014 5.47357 1.037        0.543619  1.037        0.543619  4.78946     8.62946e-06 13.9212     8.62946e-06 
1 1 1 14 0  13 o 65.1529 2.88029 7.88418      0.96393   7.88418      0.96393   49.141      90          41.6183     270         
1 1 1 14 0  14 o 11.1446 4.76478 0.217835     0.50547   0.217835     0.50547   9.98984     180         21.6662     180         
1 1 1 14 0  15 o 112.638 2.3606  23.3428      1.37554   23.3428      1.37554   144.092     90          46.4173     90          
1 1 1 14 0  16 o 57.9389 2.78474 6.24814      0.827331  6.24814      0.827331  40.175      180         25.8196     180         
1 1 1 14 0  17 o 12.5283 5.0224  0.378948     0.50386   0.378948     0.50386   28.8322     90          64.6356     90          
1 1 1 14 0  18 o 69.0649 2.6285  8.83252      0.934746  8.83252      0.934746  91.9629     2.3249e-06  67.9062     2.3249e-06  
1 1 1 14 0  19 o 121.768 2.36883 27.2748      1.49264   27.2748      1.49264   169.161     90          79.2842     90          
1 1 1 14 0  20 o 58.6059 2.83828 6.39613      0.852798  6.39613      0.852798  42.2562     360         39.6512     180         
1 1 1 14 0  21 o 100.289 2.46494 18.5313      1.2779    18.5313      1.2779    109.25      90          6.27365     90          
1 1 1 14 0  22 o 183.228 2.35921 61.6942      2.23906   61.6942      2.23906   189.145     0           8.35257     180         
1 1 1 14 0  23 o 6.16861 3.13607 -0.838194    0.487797  -0.838194    0.487797  10.3999     270         21.5122     270         
1 1 1 14 0  24 o 46.8127 3.14562 4.13761      0.7465    4.13761      0.7465    3.43806     360         2.13261     360         
1 1 1 14 0  25 o 22.1686 5.798   1.21713      0.617589  1.21713      0.617589  14.0956     90          57.0449     90          
1 1 1 14 0  26 o 227.13  2.40332 94.8606      2.82812   94.8606      2.82812   277.276     6.83614e-12 81.2834     6.83613e-12 
1 1 1 14 0  27 o 39.9858 3.54494 3.08355      0.703517  3.08355      0.703517  9.9449      270         5.917       270         
1 1 1 14 0  28 o 8.32821 4.00259 -0.283068    0.523797  -0.283068    0.523797  10.594      180         23.7252     180         
1 1 1 14 0  29 o 48.3405 4.00384 4.50239      0.967285  4.50239      0.967285  69.0924     90          39.3057     90          
1 1 1 14 0  30 o 82.966  2.5803  12.7577      1.10479   12.7577      1.10479   94.1978     360         18.0492     360         
1 1 1 14 0  31 o 17.4996 5.63887 0.835639     0.554856  0.835639     0.554856  1.8548      89.9999     6.09983     270         
1 1 1 14 0  32 f 41.4325 3.39389 3.30765      0.703462  3.30765      0.703462  30.3997     360         0           0           
1 1 1 14 0  33 o 23.4737 5.78345 1.35449      0.635959  1.35449      0.635959  13.212      90.0001     3.62125     90.0001     
1 1 1 14 0  34 o 54.4646 3.36566 5.64685      0.932786  5.64685      0.932786  44.8764     180         20.207      8.65138e-06 
1 1 1 14 0  35 o 53.8679 3.01284 5.49564      0.828813  5.49564      0.828813  81.919      90          55.5864     90          
1 1 1 14 0  36 o 9.46104 4.40638 -0.0740146   0.551658  -0.0740146   0.551658  1.03527     360         4.48606     360         
1 1 1 14 0  37 o 16.4066 6.04982 0.781372     0.671704  0.781372     0.671704  8.9692      270         10.9488     90          
1 1 1 14 0  38 o 7.50312 3.67086 -0.367       0.487456  -0.367       0.487456  4.28004     8.65209e-06 14.942      8.65209e-06 
1 1 1 14 0  39 o 30.2764 5.00808 2.00881      0.683131  2.00881      0.683131  29.5103     90          0.649635    270         
1 1 1 14 0  40 o 17.8531 5.94735 0.927412     0.620152  0.927412     0.620152  14.6275     360         6.28811     360         
1 1 1 14 0  41 o 40.7327 4.59473 3.43065      0.896252  3.43065      0.896252  29.149      90          21.1465     270         
1 1 1 14 0  42 o 19.0894 6.37223 1.09348      0.712236  1.09348      0.712236  18.4955     8.18241e-07 3.1023      8.18241e-07 
1 1 1 14 0  43 o 14.6874 5.87556 0.634715     0.687647  0.634715     0.687647  9.26177     270         1.20647     90          
1 1 1 14 0  44 o 53.0478 3.75425 5.58957      1.00681   5.58957      1.00681   53.2051     0           4.66744     0           
1 1 1 14 0  45 o 26.1509 5.76817 1.7162       0.685476  1.7162       0.685476  19.9675     270         9.92494     90          
1 1 1 14 0  46 o 5.94722 3.06019 -1.10087     0.540681  -1.10087     0.540681  2.03604     180         6.62268     180         
1 1 1 14 0  47 o 24.4192 6.25546 1.66509      0.726932  1.66509      0.726932  22.7407     90          0.495617    270         
1 1 1 14 0  48 o 6.92337 3.48687 -0.656462    0.548231  -0.656462    0.548231  0.249971    8.62925e-06 1.29738     8.62925e-06 
1 1 1 14 0  49 o 8.26905 4.09364 -0.469711    0.656309  -0.469711    0.656309  0.734396    90          7.55167     90          
1 1 1 14 0  50 o 26.8536 5.99621 1.95511      0.733504  1.95511      0.733504  32.1587     180         14.9294     180         
1 1 1 14 0  51 o 8.16406 4.01189 -0.328415    0.598975  -0.328415    0.598975  0.345157    90          4.93923     90          
1 1 1 14 0  52 o 13.8721 5.63847 0.712141     0.647569  0.712141     0.647569  8.20357     0           1.35232     180         
1 1 1 14 0  53 o 7.69187 3.85925 -0.585995    0.648934  -0.585995    0.648934  0.825083    270         3.44015     270         
1 1 1 14 0  54 o 11.8701 5.53678 0.342107     0.876196  0.342107     0.876196  2.49224     360         11.1514     180         
1 1 1 14 0  55 o 7.50567 3.79442 -0.696575    0.673236  -0.696575    0.673236  2.14037     270         9.55774     270         
1 1 1 14 0  56 o 8.43683 4.13    -0.21893     0.619214  -0.21893     0.619214  0.708971    360         9.98985     360         
1 1 1 14 1  0  o 35.325  5.09895 2.56015      0.82577   2.56015      0.82577   0.308756    8.90055e-06 15.7915     8.90056e-06 
1 1 1 14 1  1  o 65.899  3.22872 7.7374       1.13491   8.31467      1.0511    49.573      188.654     21.061      8.65442     
1 1 1 14 1  2  o 44.3803 4.03591 3.23372      0.90645   4.17192      0.890801  5.39401     99.5586     58.7028     279.559     
1 1 1 14 1  3  o 106.975 2.87174 20.8908      1.65451   21.2288      1.52046   130.474     226.392     44.9362     226.392     
1 1 1 14 1  4  o 229.508 2.8007  100.863      3.49995   92.7953      3.16509   265.195     328.675     36.8168     328.675     
1 1 1 14 1  5  o 122.905 2.68314 27.8299      1.71198   27.7248      1.70272   135.577     18.496      14.0079     18.496      
1 1 1 14 1  6  o 211.746 2.56792 78.7416      2.90396   86.0553      2.71755   255.024     348.902     55.4196     348.902     
1 1 1 14 1  7  o 96.4268 2.56939 17.4103      1.27973   16.8013      1.28384   26.8139     53.6779     149.72      233.678     
1 1 1 14 1  8  o 71.6199 2.75502 9.75419      1.00937   9.15895      1.02705   24.2775     33.6954     98.0392     213.695     
1 1 1 14 1  9  o 131.239 2.46078 33.2927      1.67028   30.0675      1.67148   194.284     99.6395     118.112     99.6395     
1 1 1 14 1  10 o 87.4444 2.61918 15.8278      1.18935   12.4276      1.16875   98.642      278.633     21.966      278.633     
1 1 1 14 1  11 o 153.289 2.45237 44.1187      1.94564   42.2301      1.95079   164.136     65.4559     3.43907     65.4561     
1 1 1 14 1  12 o 84.9986 2.5564  12.8218      1.07819   13.7892      1.1697    70.7657     64.743      31.7433     244.743     
1 1 1 14 1  13 o 51.3017 2.83972 4.61609      0.74725   5.13006      0.7494    38.7435     259.187     8.20498     79.1873     
1 1 1 14 1  14 o 79.4598 2.49145 12.1137      1.02686   11.1493      1.01937   86.5193     167.041     17.1363     167.041     
1 1 1 14 1  15 o 99.1117 2.39656 18.0796      1.22897   18.0638      1.2299    96.8003     116.507     9.71449     296.507     
1 1 1 14 1  16 o 247.896 2.36555 112.518      3.04033   113.331      3.03908   292.235     95.0053     57.6254     95.0053     
1 1 1 14 1  17 o 113.995 2.36007 23.4404      1.39038   24.3656      1.39546   95.256      248.756     46.7565     68.7564     
1 1 1 14 1  18 o 32.2603 3.78282 1.89546      0.610449  2.04822      0.609823  1.84812     168.069     52.5724     168.069     
1 1 1 14 1  19 o 34.438  3.6838  1.79664      0.624013  2.72483      0.630313  5.875       88.1554     42.2277     268.155     
1 1 1 14 1  20 o 79.2738 2.56474 11.4424      1.05371   11.7227      1.04833   64.6932     193.784     31.2278     13.7836     
1 1 1 14 1  21 o 116.532 2.40495 25.398       1.45652   24.5871      1.44568   94.7462     212.216     52.6264     32.2161     
1 1 1 14 1  22 o 85.8969 2.5456  13.6181      1.131     13.5815      1.13086   46.7154     229.436     82.6662     49.4363     
1 1 1 14 1  23 o 84.5937 2.56719 12.6591      1.12296   13.7448      1.12168   86.6271     120.428     3.42955     120.428     
1 1 1 14 1  24 o 49.8495 3.05227 3.79225      0.759708  5.52685      0.782903  14.576      220.149     66.7714     40.1491     
1 1 1 14 1  25 o 73.672  2.62816 9.59177      0.997232  10.4755      1.00229   37.4122     279.347     72.9386     99.3468     
1 1 1 14 1  26 o 51.6777 3.00209 4.79975      0.795858  5.13883      0.797608  54.5576     343.383     25.2147     343.383     
1 1 1 14 1  27 o 21.3743 4.69453 0.782501     0.572587  0.926476     0.578689  10.1702     304.984     48.9385     304.984     
1 1 1 14 1  28 o 42.9378 3.78472 4.14722      0.777102  2.88685      0.831464  46.2956     172.989     21.0805     172.989     
1 1 1 14 1  29 o 50.2032 3.50383 4.55341      0.914274  4.9406       0.882232  40.9533     94.6587     16.7809     274.659     
1 1 1 14 1  30 o 86.5567 2.7518  14.0647      1.23988   13.8006      1.22315   64.6412     197.491     46.0846     17.4912     
1 1 1 14 1  31 o 24.1024 4.47931 1.08614      0.56318   1.20565      0.571254  9.75308     353.203     1.63164     353.203     
1 1 1 14 1  32 o 70.5842 2.77849 9.45124      1.04491   9.17662      0.979948  79.2779     247.573     18.7656     247.573     
1 1 1 14 1  33 o 22.9175 4.62513 1.56329      0.646403  0.502053     0.580213  12.5753     47.3017     9.10981     227.302     
1 1 1 14 1  34 o 35.9537 3.89495 2.72696      0.696875  2.32678      0.704303  35.3665     174.208     4.43612     174.208     
1 1 1 14 1  35 o 23.2164 4.83177 1.10459      0.647974  1.07714      0.593254  14.0146     119.883     11.6905     299.883     
1 1 1 14 1  36 o 55.8958 3.92106 5.61788      1.09857   6.62634      1.13999   41.1917     172.282     27.4626     352.282     
1 1 1 14 1  37 o 16.8807 4.5885  -0.797552    0.656088  1.00337      0.696096  4.05731     10.3081     19.9849     190.308     
1 1 1 14 1  38 o 14.557  4.09754 0.605769     0.527299  -0.416092    0.509512  5.97466     338.548     0.279754    158.548     
1 1 1 14 1  39 o 55.3319 3.09859 5.71252      0.836822  6.10427      0.925926  65.3163     165.788     23.7129     165.788     
1 1 1 14 1  40 o 25.3907 4.80311 1.92691      0.673577  0.820805     0.689906  18.9948     214.734     7.99661     34.7345     
1 1 1 14 1  41 o 11.3593 3.74129 -0.223643    0.552785  -0.591763    0.526394  1.69366     231.364     3.30124     51.3639     
1 1 1 14 1  42 o 11.558  3.80494 -0.536993    0.547744  -0.249952    0.564537  2.27754     229.532     4.50061     49.5315     
1 1 1 14 1  43 o 29.1649 4.54423 1.85603      0.673786  1.82827      0.663081  18.3137     338.138     17.0336     158.138     
1 1 1 14 1  44 o 18.8828 4.341   -0.129003    0.567267  1.39273      0.60313   11.5582     63.3118     8.84839     243.312     
1 1 1 14 1  45 o 23.2315 4.6136  1.87743      0.645203  0.55774      0.633001  20.5866     319.583     0.966021    319.583     
1 1 1 14 1  46 o 26.7583 4.76833 2.19067      0.67195   1.18638      0.699713  30.2837     127.696     14.7995     127.696     
1 1 1 14 1  47 o 31.3861 4.64164 2.82093      0.725651  1.83653      0.740165  34.9999     304.337     14.1764     304.337     
1 1 1 14 1  48 o 24.7284 4.91888 1.07304      0.683204  2.02869      0.690136  19.0089     62.0605     5.21845     242.06      
1 1 1 14 1  49 o 18.6069 5.26084 0.737287     0.767157  1.03027      0.77566   11.8162     345.907     6.10887     165.907     
1 1 1 14 1  50 o 17.1309 4.94811 0.53766      0.691431  0.874348     0.70888   11.6186     84.289      1.88468     264.289     
1 1 1 14 1  51 o 12.2329 4.00897 0.345932     0.647907  -0.852228    0.614332  4.60936     254.323     4.0819      74.3232     
1 1 1 14 1  52 o 13.2603 4.19304 -0.359421    0.629895  0.516224     0.61108   4.17893     86.2954     9.80383     266.295     
1 1 1 14 1  53 o 20.6586 5.4583  1.66602      0.834608  1.18081      0.74061   14.3842     70.0558     7.96735     70.0558     
1 1 1 14 1  54 o 19.4757 5.76402 1.29596      0.935197  1.58212      1.01579   13.7536     287.122     5.54661     287.122     
1 1 1 14 1  55 o 17.1415 5.11363 1.14151      0.790803  0.779643     0.772402  11.4236     328.963     2.8967      328.963     
1 1 1 14 1  56 o ?       ?       ?            ?         ?            ?         7.07219     221.016     0           0           
1 1 1 14 2  0  o 180.408 2.26782 59.7549      2.11927   59.7549      2.11927   210.227     4.7145e-06  27.8531     4.7145e-06  
1 1 1 14 2  1  o 244.168 2.33726 113.461      2.95989   105.525      2.95379   270.498     63.71       15.0106     63.7101     
1 1 1 14 2  2  o 150.678 2.44552 38.5875      1.89904   44.9149      1.91395   79.1194     132.523     164.092     312.523     
1 1 1 14 2  3  o 68.7252 2.80589 8.75359      1.00275   8.66154      0.987917  52.69       141.238     27.0138     321.238     
1 1 1 14 2  4  o 15.8796 4.45732 0.326728     0.573927  0.160449     0.522285  32.8814     127.857     75.93       127.857     
1 1 1 14 2  5  o 116.695 2.4937  24.9446      1.51402   25.1217      1.49928   134.496     45.773      25.6795     45.773      
1 1 1 14 2  6  o 86.8331 2.62002 13.0362      1.1752    14.7437      1.17445   80.2213     221.599     17.014      41.5986     
1 1 1 14 2  7  o 64.4276 2.82208 7.33919      0.933735  7.98398      0.940935  46.7525     167.347     32.3272     347.347     
1 1 1 14 2  8  o 49.37   3.04996 4.01295      0.79031   5.04983      0.738503  30.8542     165.741     23.2245     345.741     
1 1 1 14 2  9  o 137.64  2.46309 34.9517      1.74982   34.6948      1.76196   133.104     178.601     25.1898     358.601     
1 1 1 14 2  10 o 69.6823 2.77017 9.77304      0.994886  8.17112      0.992159  78.294      81.6302     28.5452     81.6302     
1 1 1 14 2  11 o 84.3287 2.63561 14.19        1.14073   12.0453      1.15088   17.6447     321.753     140.254     141.753     
1 1 1 14 2  12 o 73.0169 2.72833 9.85032      1.01613   9.80788      1.0416    71.5692     178.587     0.678551    178.587     
1 1 1 14 2  13 o 19.6974 4.42014 1.12176      0.55942   0.140986     0.556343  15.906      281.419     43.718      281.419     
1 1 1 14 2  14 o 66.0849 2.71601 8.08125      0.896022  8.03393      0.955525  56.9939     241.374     13.0273     61.3739     
1 1 1 14 2  15 o 25.9336 4.25514 1.42803      0.558923  1.1588       0.565076  9.13988     235.876     41.1239     235.876     
1 1 1 14 2  16 o 161.884 2.30041 46.512       1.92449   49.8172      1.93488   185.906     165.677     31.4383     165.677     
1 1 1 14 2  17 o 56.0134 2.80978 5.10276      0.80399   6.54464      0.807157  29.1206     140.377     49.6288     320.377     
1 1 1 14 2  18 o 116.52  2.3669  25.9855      1.43586   23.9805      1.41922   101.899     286.601     38.5719     106.601     
1 1 1 14 2  19 o 117.37  2.37981 24.6156      1.44137   26.0783      1.45072   135.531     138.252     28.7888     138.252     
1 1 1 14 2  20 o 29.8853 4.15341 1.47412      0.623784  1.95473      0.61528   12.358      138.615     75.1728     138.615     
1 1 1 14 2  21 o 179.999 2.34129 60.7386      2.19464   58.4088      2.17412   210.716     241.846     44.8364     241.846     
1 1 1 14 2  22 o 45.517  3.18347 4.61336      0.751173  3.17056      0.715094  32.8257     228.525     15.002      48.5251     
1 1 1 14 2  23 o 97.1696 2.46969 16.7549      1.23811   18.0526      1.24466   108.826     79.2411     21.0901     79.2411     
1 1 1 14 2  24 o 167.969 2.36631 52.1738      2.06865   51.672       2.05197   180.284     47.0651     12.6181     47.0651     
1 1 1 14 2  25 o 91.7191 2.52515 16.8363      1.20796   14.2639      1.18406   97.7131     207.689     11.8842     207.688     
1 1 1 14 2  26 o 104.77  2.55736 20.1985      1.43441   20.3346      1.33701   105.579     23.3356     1.48773     203.336     
1 1 1 14 2  27 o 58.2522 3.03067 5.79471      0.909041  6.85692      0.902347  72.9432     92.0322     40.941      92.0322     
1 1 1 14 2  28 o 111.902 2.62978 23.8657      1.54003   22.5001      1.50636   107.843     251.657     12.6426     71.657      
1 1 1 14 2  29 o 69.2367 3.16074 10.0509      1.1549    7.91742      1.09534   55.528      90.752      28.3184     270.752     
1 1 1 14 2  30 o 20.7023 4.60443 -0.070829    0.635682  1.41506      0.650709  3.77301     46.3004     2.04492     226.3       
1 1 1 14 2  31 o 17.1401 4.34298 -0.241656    0.561507  0.89392      0.558457  0.964649    98.3063     14.5381     278.306     
1 1 1 14 2  32 o 101.911 2.78655 19.0632      1.40757   19.7306      1.53007   107.567     277.207     10.2038     277.207     
1 1 1 14 2  33 o 23.9374 4.61047 0.84449      0.565335  1.45592      0.627858  15.8729     165.092     0.813128    165.092     
1 1 1 14 2  34 o 49.6805 3.0568  4.53967      0.776986  4.82765      0.78122   63.662      262.629     32.9841     262.629     
1 1 1 14 2  35 o 23.0851 4.61159 1.25362      0.563693  0.893902     0.602955  13.6346     34.9389     12.626      214.939     
1 1 1 14 2  36 o 33.901  4.8583  3.17758      0.842333  1.64039      0.811661  36.6449     222.628     11.2181     222.628     
1 1 1 14 2  37 o 34.4535 4.60455 2.9951       0.827484  1.91577      0.754989  36.725      236.255     9.30743     236.255     
1 1 1 14 2  38 o 36.9608 3.6713  2.57068      0.68808   2.82404      0.677695  45.1327     188.06      21.0828     188.06      
1 1 1 14 2  39 o 18.8933 4.71592 0.865016     0.607321  0.486203     0.555141  14.1527     130.559     6.22117     130.559     
1 1 1 14 2  40 o 60.854  3.13246 7.13968      0.99388   7.24144      0.96832   68.368      210.29      19.2799     210.29      
1 1 1 14 2  41 o 49.8625 3.2395  5.53839      0.829863  4.26554      0.814599  41.7128     277.248     12.1583     97.248      
1 1 1 14 2  42 o 17.2507 4.47242 1.00351      0.609244  -0.0643994   0.542875  5.73403     37.4307     17.7822     217.431     
1 1 1 14 2  43 o 23.445  4.90251 1.55546      0.659075  0.887426     0.65074   24.5434     105.363     13.6235     105.363     
1 1 1 14 2  44 o 23.5376 4.02268 -0.113404    0.623258  2.36135      0.636714  18.1343     324.113     5.40107     144.113     
1 1 1 14 2  45 o 37.4243 3.98464 2.82283      0.745183  3.14055      0.751093  39.529      336.377     10.2089     336.377     
1 1 1 14 2  46 o 41.4273 3.81452 4.29926      0.802484  3.04891      0.775563  47.134      287.906     18.0757     287.906     
1 1 1 14 2  47 o 17.5525 4.40526 1.33989      0.629684  -0.303354    0.587557  15.5718     181.295     5.79036     181.295     
1 1 1 14 2  48 o 10.604  3.58176 -0.494094    0.563609  -0.472293    0.541142  2.68962     273.369     4.94572     93.3685     
1 1 1 14 2  49 o 21.4317 5.11137 0.443848     0.73757   1.97294      0.775749  18.4098     262.878     2.332       262.878     
1 1 1 14 2  50 o 13.5016 4.21452 0.56048      0.624968  -0.406122    0.588563  3.32187     323.502     0.402643    323.502     
1 1 1 14 2  51 o 21.4573 4.81908 1.97215      0.696891  0.570475     0.648353  20.1851     294.307     7.01014     294.307     
1 1 1 14 2  52 o 18.9618 5.09244 1.56494      0.750507  0.547437     0.707205  15.0528     336.332     5.62403     336.332     
1 1 1 14 2  53 o 14.8474 4.61989 0.17744      0.678476  0.675397     0.711999  5.20381     321.397     10.0632     141.397     
1 1 1 14 2  54 o 15.5358 4.91868 0.681298     0.748521  0.380448     0.918043  6.88334     158.24      0.926194    158.24      
1 1 1 14 2  55 o 13.4287 4.46202 -0.350927    0.772554  0.495288     0.823038  4.26059     326.256     0.302866    146.256     
1 1 1 14 2  56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 3  0  o 80.9308 2.46735 12.0828      1.0307    12.0828      1.0307    50.5471     180         74.7689     360         
1 1 1 14 3  1  o 189.056 2.27981 65.2234      2.23202   66.0171      2.23632   208.312     280.905     11.7471     280.905     
1 1 1 14 3  2  o 90.3633 2.41752 14.8542      1.12999   15.1787      1.1306    50.6129     247.231     86.6537     67.2314     
1 1 1 14 3  3  o 81.0017 2.48328 12.3756      1.04201   11.7739      1.03799   54.0896     247.721     57.8108     67.7213     
1 1 1 14 3  4  o 285.343 2.47692 146.376      3.53829   152.735      3.78871   270.625     312.366     75.2355     132.366     
1 1 1 14 3  5  o 111.762 2.50511 22.1777      1.44712   23.7668      1.45056   107.837     70.3521     18.45       250.352     
1 1 1 14 3  6  o 12.9895 4.03024 -0.18149     0.538729  -0.0892056   0.504183  35.0718     67.6813     77.9494     67.6813     
1 1 1 14 3  7  o 24.9507 4.36799 0.499945     0.618808  1.85739      0.597295  9.04778     220.685     35.7088     220.685     
1 1 1 14 3  8  o 92.2832 2.60127 15.392       1.24493   15.9561      1.23831   126.65      334.454     74.4893     334.454     
1 1 1 14 3  9  o 23.1822 4.44821 1.01098      0.547157  1.03956      0.548976  19.4075     71.9181     61.5871     71.9181     
1 1 1 14 3  10 o 44.7628 3.02476 3.68671      0.6957    3.75188      0.690822  1.58507     158.856     79.8264     338.856     
1 1 1 14 3  11 o 168.095 2.28877 51.7993      2.00079   51.9995      1.98773   222.926     179.431     91.0966     179.431     
1 1 1 14 3  12 o 84.983  2.52977 13.4737      1.14866   13.1198      1.07476   91.2008     316.538     12.6182     316.538     
1 1 1 14 3  13 o 145.324 2.46406 39.9045      1.85251   37.733       1.85858   168.805     198.522     32.5788     198.522     
1 1 1 14 3  14 o 72.1129 2.75664 10.6982      1.02704   8.54551      1.01708   78.9479     28.8148     21.4702     28.8148     
1 1 1 14 3  15 o 141.605 2.47803 37.085       1.81776   36.6279      1.82002   130.785     207.157     35.9231     27.1568     
1 1 1 14 3  16 f 18.6977 3.76264 1.3779       0.531727  -0.715655    0.541613  35.0789     229.581     0           0           
1 1 1 14 3  17 o 197.269 2.32001 71.5873      2.37857   71.4343      2.36613   220.995     290.274     25.6533     290.274     
1 1 1 14 3  18 o 148.437 2.31799 42.2105      1.79846   38.8079      1.76742   174.293     116.409     38.6166     116.409     
1 1 1 14 3  19 o 171.791 2.39895 53.6773      2.2029    54.8297      2.06573   229.947     4.90763     100.959     4.90763     
1 1 1 14 3  20 o 130.271 2.4479  30.5121      1.70011   31.9514      1.5983    133.897     282.121     3.08826     102.121     
1 1 1 14 3  21 o 34.2203 3.93163 1.73457      0.671496  2.76038      0.648437  7.07449     301.817     75.8389     301.817     
1 1 1 14 3  22 o 137.286 2.44786 36.4217      1.81323   32.994       1.67031   153.985     106.625     24.0328     106.624     
1 1 1 14 3  23 o 43.3451 3.51837 3.5185       0.781685  3.51587      0.770673  24.7674     247.971     27.1417     67.9708     
1 1 1 14 3  24 o 81.1805 2.65732 11.8318      1.07535   12.5132      1.15516   81.4802     213.221     1.70592     213.221     
1 1 1 14 3  25 o 43.8551 3.40231 4.24517      0.735287  3.01176      0.759519  21.4744     241.848     36.1988     61.8476     
1 1 1 14 3  26 o 57.1403 2.94674 6.14097      0.841359  5.99301      0.890682  49.6209     262.749     10.0394     82.7492     
1 1 1 14 3  27 o 103.969 2.56018 20.0656      1.3313    19.9029      1.42204   99.0154     119.537     13.4913     299.537     
1 1 1 14 3  28 o 67.7895 2.90614 9.04724      1.03041   8.06285      1.00123   78.1347     108.784     22.2084     108.783     
1 1 1 14 3  29 o 47.3233 3.62989 4.8633       0.895442  3.64926      0.847171  55.4249     163.856     21.8039     163.856     
1 1 1 14 3  30 o 86.2767 2.87796 13.4578      1.32058   14.2943      1.24153   121.417     167.148     71.1492     167.148     
1 1 1 14 3  31 o 20.7164 4.67477 0.978501     0.577468  0.635929     0.567058  2.94975     231.225     25.9733     51.2249     
1 1 1 14 3  32 o 56.0629 2.88246 6.89224      0.840147  4.98512      0.810314  35.592      96.2525     39.6747     276.253     
1 1 1 14 3  33 o 18.6678 4.45252 0.859046     0.541364  0.400498     0.502344  3.98515     251.476     39.044      251.476     
1 1 1 14 3  34 o 56.4043 2.91834 6.32289      0.855494  5.71382      0.838219  61.7157     91.913      13.2948     91.913      
1 1 1 14 3  35 o 40.6111 3.41702 3.11357      0.707165  3.25884      0.702761  38.7085     207.768     0.337856    27.7675     
1 1 1 14 3  36 o 22.6048 5.26016 1.42751      0.762807  0.592607     0.717186  15.918      91.1644     6.53951     271.164     
1 1 1 14 3  37 o 35.9708 4.84782 2.29343      0.851687  3.07429      0.88833   35.3929     177.931     2.94244     177.931     
1 1 1 14 3  38 o 30.1563 4.31929 2.52379      0.656905  1.26772      0.650331  30.1954     276.352     4.74953     276.352     
1 1 1 14 3  39 o 99.0814 2.79531 19.6135      1.4613    17.877       1.40402   111.269     166.922     28.7265     166.922     
1 1 1 14 3  40 o 55.4597 3.03666 6.32874      0.878142  5.61135      0.852961  59.1397     354.881     11.5658     354.881     
1 1 1 14 3  41 o 27.2443 4.53202 1.36489      0.642267  1.81012      0.622653  22.2619     80.7557     4.949       260.756     
1 1 1 14 3  42 o 39.0643 3.83992 2.50366      0.734952  3.7868       0.748632  42.3049     93.4943     11.8771     93.4943     
1 1 1 14 3  43 o 12.9549 4.07819 -0.00472438  0.563153  -0.13646     0.542118  2.2979      110.947     14.5356     290.947     
1 1 1 14 3  44 o 12.8905 4.0938  0.13125      0.589887  -0.415589    0.57057   4.98307     241.883     1.6943      61.8834     
1 1 1 14 3  45 o 14.4185 4.3102  0.0861824    0.567377  0.324636     0.549658  8.41718     141.06      3.26519     321.06      
1 1 1 14 3  46 o 16.5555 4.60304 0.151476     0.600643  0.808242     0.605366  10.3046     164.2       5.32562     164.2       
1 1 1 14 3  47 o 30.1028 4.55551 2.96287      0.722227  1.39843      0.684051  29.8714     3.64332     5.92529     3.64332     
1 1 1 14 3  48 o 13.7541 4.24312 -0.258682    0.594884  0.453612     0.591044  7.23926     68.4344     0.165196    68.4344     
1 1 1 14 3  49 o 17.4446 4.85891 -0.11671     0.72094   1.30142      0.72719   12.895      280.378     3.9899      280.378     
1 1 1 14 3  50 o 15.3035 4.57357 0.343976     0.627207  0.561494     0.625836  9.42515     316.713     0.828136    136.713     
1 1 1 14 3  51 o 20.6675 5.19001 1.74126      0.767871  0.800202     0.674106  18.9547     130.123     7.25372     130.123     
1 1 1 14 3  52 o 14.6084 4.3784  -0.774377    0.630705  1.09943      0.691128  6.23716     161.518     0.682568    161.518     
1 1 1 14 3  53 o 12.3958 4.06138 0.243421     0.64581   -0.333528    0.603876  2.80799     113.107     4.09955     293.107     
1 1 1 14 3  54 o 17.7495 5.28757 1.09601      0.799012  0.95874      0.870025  11.9423     296.667     1.50309     296.667     
1 1 1 14 3  55 o 16.4068 5.07716 0.964668     0.78711   0.701732     0.876981  9.6355      221.654     2.87255     221.654     
1 1 1 14 3  56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 4  0  o 35.3209 3.71217 2.43782      0.635545  2.43782      0.635545  44.2406     180         163.217     180         
1 1 1 14 4  1  o 112.446 2.33007 23.7417      1.35728   22.7374      1.35561   123.769     181.567     13.1927     181.567     
1 1 1 14 4  2  o 72.2871 2.52048 9.32815      0.940914  9.91925      0.941461  38.6368     70.68       69.5777     250.68      
1 1 1 14 4  3  o 155.571 2.27872 44.1039      1.83466   44.7735      1.8405    100.197     350.464     132.433     170.464     
1 1 1 14 4  4  o 153.315 2.28579 44.7177      1.82109   41.6298      1.81065   179.633     259.106     34.1831     259.106     
1 1 1 14 4  5  o 22.6639 4.41509 0.732159     0.545475  1.21316      0.54342   18.1716     254.841     56.427      254.841     
1 1 1 14 4  6  o 130.732 2.47949 32.0265      1.69239   30.8151      1.66503   155.915     283.284     37.702      283.284     
1 1 1 14 4  7  o 107.184 2.55082 20.641       1.42558   21.6282      1.40362   105.777     233.659     11.3302     53.659      
1 1 1 14 4  8  o 182.291 2.4448  59.2354      2.31105   62.8858      2.30758   249.863     348.498     113.428     348.498     
1 1 1 14 4  9  o 83.3215 2.6286  12.8349      1.14366   12.735       1.12119   63.9909     174.689     42.0095     354.689     
1 1 1 14 4  10 o 37.6528 3.37996 3.26813      0.647493  2.10174      0.619727  8.92088     112.261     83.6127     112.261     
1 1 1 14 4  11 o 153.807 2.28771 42.5469      1.82322   44.3708      1.82405   152.751     143.976     19.72       323.976     
1 1 1 14 4  12 o 105.365 2.37257 22.1374      1.30531   18.7686      1.2784    84.638      177.824     49.6904     357.824     
1 1 1 14 4  13 o 64.1107 2.69833 8.21483      0.924618  6.9793       0.860271  68.1267     202.55      23.5437     202.55      
1 1 1 14 4  14 o 48.7242 3.19772 3.84969      0.832937  5.00696      0.732866  8.08663     73.0125     75.8356     253.013     
1 1 1 14 4  15 o 208.334 2.59672 80.6696      2.90938   78.942       2.69711   249.792     97.3281     59.0501     97.3281     
1 1 1 14 4  16 o 196.262 2.68345 74.765       2.73676   67.0289      2.71805   249.505     255.091     85.6161     255.091     
1 1 1 14 4  17 o 116.879 2.6726  25.0417      1.55356   25.2637      1.67865   161.948     155.76      85.95       155.76      
1 1 1 14 4  18 o 114.621 2.74101 23.8832      1.42014   24.5177      1.81282   160.025     298.79      87.1454     298.79      
1 1 1 14 4  19 f 53.0404 3.02108 5.06228      0.79988   5.36931      0.847484  58.2288     281.771     0           0           
1 1 1 14 4  20 o 65.2431 2.76577 7.58194      0.900233  8.15025      0.962209  35.3268     349.053     60.2416     169.053     
1 1 1 14 4  21 o 57.877  2.80059 6.25707      0.839971  6.1384       0.830321  60.131      215.097     13.4447     215.097     
1 1 1 14 4  22 o 136.784 2.37157 35.1281      1.69299   33.7167      1.66992   161.679     340.203     41.4372     340.203     
1 1 1 14 4  23 o 17.0905 3.86092 -0.849566    0.527745  1.13852      0.538104  26.3869     346.469     70.9401     346.469     
1 1 1 14 4  24 o 170.336 2.35612 53.3396      2.08098   53.4973      2.07969   186.246     68.4538     20.7733     68.4538     
1 1 1 14 4  25 o 100.893 2.46522 17.8472      1.27989   19.7428      1.29292   140.686     220.026     81.6894     220.026     
1 1 1 14 4  26 o 85.7242 2.5452  13.7739      1.13893   13.3949      1.11804   96.294      54.3654     21.3873     54.3654     
1 1 1 14 4  27 o 96.0613 2.61259 16.4404      1.33466   17.7269      1.25659   105.054     35.9086     15.8025     35.9085     
1 1 1 14 4  28 o 27.838  4.48294 1.14396      0.636233  1.90901      0.641224  19.7039     35.289      3.35162     35.289      
1 1 1 14 4  29 o 64.6759 3.31521 7.36775      1.07558   8.33418      1.1317    76.896      147.173     26.246      147.173     
1 1 1 14 4  30 o 39.7146 3.88565 3.04258      0.789468  3.00476      0.767484  41.0103     268.529     30.6849     268.529     
1 1 1 14 4  31 o 105.781 2.4817  22.2797      1.37375   19.368       1.34101   123.585     149.327     34.3834     149.327     
1 1 1 14 4  32 o 84.6516 2.59912 12.6994      1.13411   14.0653      1.13935   91.5416     323.93      14.1852     323.93      
1 1 1 14 4  33 f 34.0493 3.66242 2.24173      0.632471  2.25616      0.619516  25.7238     150.706     0           0           
1 1 1 14 4  34 o 22.0237 4.35823 0.47873      0.555207  1.42458      0.553441  15.9214     203.874     0.526083    203.874     
1 1 1 14 4  35 o 41.9144 3.31098 3.46078      0.717534  3.31278      0.696698  35.617      162.909     9.66251     342.909     
1 1 1 14 4  36 o 71.1319 3.20909 10.4455      1.20012   8.98429      1.15186   72.406      281.096     4.79665     281.096     
1 1 1 14 4  37 o 24.1169 5.11638 0.653433     0.723665  1.72914      0.740085  14.5936     101.204     14.6787     281.204     
1 1 1 14 4  38 o 14.2547 4.30417 -0.270481    0.585214  0.301428     0.574668  3.79509     238.074     14.3468     58.0739     
1 1 1 14 4  39 f 18.5999 4.60873 0.857207     0.572314  0.457219     0.541977  13.839      306.966     0           0           
1 1 1 14 4  40 o 56.7157 3.05412 7.41521      0.893765  5.17669      0.867668  66.1714     220.419     23.5708     220.419     
1 1 1 14 4  41 o 13.1904 4.01085 0.382883     0.548646  -0.546315    0.512297  0.669889    83.6868     19.1902     263.687     
1 1 1 14 4  42 o 29.2632 4.50152 1.61433      0.656357  2.08033      0.672744  24.2117     71.4499     4.91575     251.45      
1 1 1 14 4  43 o 15.5694 4.30343 0.756033     0.561046  -0.210455    0.544499  3.08173     211.05      19.7935     31.0496     
1 1 1 14 4  44 o 29.7313 4.75975 2.29635      0.716536  1.69966      0.722748  24.8826     20.9433     4.19441     200.943     
1 1 1 14 4  45 o 31.2709 4.59129 1.45295      0.704253  3.07627      0.753299  36.3183     260.747     17.2046     260.747     
1 1 1 14 4  46 o 16.8201 4.64478 0.232091     0.613697  0.819684     0.601453  4.40138     28.5599     19.9759     208.56      
1 1 1 14 4  47 o 15.1687 4.51119 0.371016     0.615114  0.335629     0.589315  7.22638     108.083     9.77175     288.083     
1 1 1 14 4  48 o 13.6397 4.1718  0.586466     0.598611  -0.462565    0.562207  6.41848     85.953      0.39008     85.953      
1 1 1 14 4  49 o 14.4171 4.55858 0.120996     0.69572   0.259852     0.701507  7.5903      197.507     2.19326     17.5068     
1 1 1 14 4  50 o 12.9164 4.10171 0.614737     0.658023  -0.768011    0.552278  5.4887      125.62      4.46205     305.62      
1 1 1 14 4  51 o 22.4822 5.3511  1.69301      0.748578  1.37493      0.733966  20.5696     263.036     5.56981     263.036     
1 1 1 14 4  52 o 14.355  4.33308 0.911181     0.645868  -0.447662    0.610877  6.59801     84.8279     1.01931     264.828     
1 1 1 14 4  53 o 13.8522 4.38795 0.028197     0.660921  0.46282      0.654377  5.16377     295.838     5.00354     115.838     
1 1 1 14 4  54 o 26.7678 5.79701 3.19799      0.948543  1.82494      0.898825  28.2297     263.754     17.6816     263.754     
1 1 1 14 4  55 o 20.6127 5.47539 1.36076      0.79353   1.72807      0.803361  17.9102     339.559     7.33994     339.559     
1 1 1 14 4  56 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 5  0  o 51.8223 2.81748 5.01563      0.746289  5.01563      0.746289  47.266      2.33663e-05 6.2114      180         
1 1 1 14 5  1  o 132.064 2.30394 34.0783      1.58479   30.0603      1.56467   148.443     257.85      19.1163     257.85      
1 1 1 14 5  2  o 76.8862 2.50077 10.2469      0.990615  11.5369      0.994928  74.2518     55.5905     4.14559     235.59      
1 1 1 14 5  3  o 155.662 2.26948 44.064       1.82947   44.9274      1.83286   196.283     279.405     63.6555     279.405     
1 1 1 14 5  4  o 38.7199 3.30852 2.2872       0.641454  3.36389      0.635182  12.5374     261.45      27.1297     81.4495     
1 1 1 14 5  5  o 148.482 2.27996 40.3061      1.75754   40.6699      1.75203   161.853     211.656     9.61337     211.656     
1 1 1 14 5  6  o 116.616 2.3739  26.0018      1.48492   24.0187      1.38261   108.661     43.0296     26.8901     223.03      
1 1 1 14 5  7  o 72.5436 2.78736 10.6108      1.09618   8.83752      0.992554  75.6364     204.756     11.6215     204.756     
1 1 1 14 5  8  o 55.8749 3.02315 6.50719      0.924745  5.09024      0.813265  23.3319     214.235     61.0446     34.2353     
1 1 1 14 5  9  o 86.3665 2.74519 13.9573      1.27667   13.5285      1.17422   89.3957     6.10371     5.15535     6.10371     
1 1 1 14 5  10 o 80.2238 2.76267 11.4326      1.20221   12.3002      1.07924   89.9576     330.463     23.0505     330.463     
1 1 1 14 5  11 o 109.935 2.43337 21.8494      1.33446   22.615       1.43506   91.8251     292.199     45.1135     112.199     
1 1 1 14 5  12 o 180.038 2.37151 58.1107      2.13886   61.0251      2.28767   181.18      314.289     18.7389     134.289     
1 1 1 14 5  13 o 144.348 2.38444 38.2457      1.72913   38.3326      1.83759   156.271     208.497     10.1567     208.497     
1 1 1 14 5  14 f 151.048 2.30714 43.7988      1.81643   40.0848      1.79465   111.305     206.08      0           0           
1 1 1 14 5  15 o 28.29   4.14258 2.2263       0.601132  0.918192     0.5871    23.4373     10.3346     92.1931     10.3346     
1 1 1 14 5  16 o 104.088 2.48374 20.8027      1.39053   19.0959      1.28642   95.0571     269.508     24.5417     89.5081     
1 1 1 14 5  17 o 91.4158 2.6349  15.461       1.24654   15.3307      1.24537   79.4994     32.6228     27.9618     212.623     
1 1 1 14 5  18 o 41.7933 3.57591 3.38064      0.748113  3.15981      0.767907  20.9002     318.586     31.6363     138.586     
1 1 1 14 5  19 o 243.571 2.56128 110.432      3.23276   107.846      3.23448   274.55      153.207     37.0064     153.207     
1 1 1 14 5  20 o 131.699 2.37805 31.3182      1.62146   32.5233      1.62234   150.895     188.654     29.5559     188.654     
1 1 1 14 5  21 o 79.4496 2.57138 12.2684      1.07117   11.033       1.04032   87.2186     120.613     17.0619     120.613     
1 1 1 14 5  22 o 68.7536 2.69869 9.19265      0.973568  8.28725      0.941861  65.3288     329.331     3.45428     149.331     
1 1 1 14 5  23 o 98.8178 2.45544 19.1378      1.2711    16.9037      1.23862   62.1194     82.03       77.4783     262.03      
1 1 1 14 5  24 o 64.003  2.70668 7.65485      0.898729  7.51046      0.889033  47.2356     357.66      30.402      177.66      
1 1 1 14 5  25 o 66.025  2.73388 6.52653      0.903865  9.78967      0.935138  69.1552     41.7114     10.6697     41.7113     
1 1 1 14 5  26 o 111.818 2.44743 23.0374      1.41944   23.1527      1.41429   119.709     304.864     11.9342     304.864     
1 1 1 14 5  27 o 46.0941 3.28421 4.27621      0.781361  3.71013      0.764358  56.2467     259.138     33.3624     259.138     
1 1 1 14 5  28 o 58.1025 3.21048 6.31985      0.967269  6.32436      0.951161  61.4667     171.71      8.56954     171.71      
1 1 1 14 5  29 o 43.328  3.84646 5.22746      0.836898  2.23848      0.7574    43.4128     259.593     5.13376     259.593     
1 1 1 14 5  30 o 23.4099 4.35477 1.8394       0.632099  0.263376     0.582726  10.9417     154.441     0.032388    154.441     
1 1 1 14 5  31 o 53.7486 2.91751 6.56491      0.814041  4.39582      0.778952  55.1641     50.2421     5.92214     50.2421     
1 1 1 14 5  32 o 41.1052 3.2874  3.6916       0.699599  2.78052      0.668183  37.1765     3.4089      3.65391     183.409     
1 1 1 14 5  33 o 65.7646 2.75518 8.1804       0.944006  8.08895      0.926027  77.4595     338.456     25.763      338.456     
1 1 1 14 5  34 o 21.6242 4.41689 0.500042     0.554776  1.33584      0.554203  11.8838     8.04195     12.7182     188.042     
1 1 1 14 5  35 o 35.0982 3.68942 2.31925      0.648983  2.52171      0.651803  22.3303     343.725     22.5141     163.725     
1 1 1 14 5  36 o 25.4666 5.0713  1.45385      0.700237  1.26639      0.697522  14.5475     103.125     17.587      283.126     
1 1 1 14 5  37 o 21.2166 5.0366  1.00846      0.682205  0.793404     0.62661   11.6067     281.005     14.5148     101.005     
1 1 1 14 5  38 o 33.9824 4.28541 2.7368       0.729998  2.00276      0.717719  34.7754     280.578     6.08095     280.578     
1 1 1 14 5  39 o 41.6256 3.60781 3.81976      0.803104  3.08206      0.720938  46.8316     144.53      14.9653     144.53      
1 1 1 14 5  40 o 25.8139 4.50702 1.54818      0.601083  1.29233      0.600474  28.7244     254.988     14.1737     254.988     
1 1 1 14 5  41 o 39.2915 3.65378 2.9566       0.72995   3.27901      0.71926   33.7048     250.688     6.59476     70.6882     
1 1 1 14 5  42 o 23.2231 4.69299 1.49439      0.621007  0.879503     0.590126  21.582      222.93      3.97323     222.93      
1 1 1 14 5  43 o 10.6817 3.49505 -1.09946     0.49821   0.0585554    0.488438  1.81804     54.0079     5.539       234.008     
1 1 1 14 5  44 o 21.2628 4.73605 0.586512     0.599243  1.43931      0.629272  21.0522     343.42      8.56585     343.42      
1 1 1 14 5  45 o 16.1724 4.6797  0.60069      0.635891  0.224741     0.625832  9.72332     313.831     6.11009     133.831     
1 1 1 14 5  46 o 13.2158 4.10217 0.354838     0.564277  -0.342703    0.5584    6.85473     86.5719     0.490448    86.5719     
1 1 1 14 5  47 o 40.7748 4.04334 3.30174      0.823255  4.12432      0.82663   46.4827     334.446     18.992      334.446     
1 1 1 14 5  48 o 23.7273 4.79803 0.731168     0.671246  2.17398      0.700668  19.4448     4.01634     1.50846     184.016     
1 1 1 14 5  49 o 19.3097 5.01452 0.130459     0.780848  1.63008      0.737353  16.434      106.778     5.63999     106.778     
1 1 1 14 5  50 o 15.1761 4.4636  -0.425214    0.650569  0.991304     0.655655  9.45726     350.844     0.387017    350.844     
1 1 1 14 5  51 o 13.8572 4.37926 0.296094     0.668042  0.18429      0.61753   6.57673     197.738     4.12559     17.7382     
1 1 1 14 5  52 o 13.8724 4.39095 0.225937     0.646379  0.294963     0.652753  3.96542     244.902     10.9905     64.9021     
1 1 1 14 5  53 o 23.4536 4.88449 2.64952      0.772505  0.63032      0.726515  21.2689     220.154     6.43811     220.154     
1 1 1 14 5  54 o 14.6282 4.67168 0.0449409    0.785041  0.710725     0.75628   7.26142     194.666     2.43738     14.6664     
1 1 1 14 5  55 o 13.3917 4.36839 0.353677     0.741152  0.0447874    0.667399  1.40607     175.172     0.248844    175.172     
1 1 1 14 6  0  o 98.5807 2.47784 17.8997      1.26255   17.8997      1.26255   108.412     180         4.06638     180         
1 1 1 14 6  1  f 105.778 2.54275 20.9228      1.43943   20.2462      1.34458   122.514     339.888     0           0           
1 1 1 14 6  2  o 227.432 2.38735 94.0861      2.89809   95.9501      2.72634   254.569     235.376     22.7909     235.376     
1 1 1 14 6  3  o 84.215  2.59158 13.493       1.12628   12.6301      1.12986   49.7495     354.083     73.7611     174.083     
1 1 1 14 6  4  o 62.0537 2.69479 7.56986      0.837207  6.65433      0.881519  61.0614     128.192     10.8865     128.192     
1 1 1 14 6  5  o 202.524 2.36018 76.1472      2.4026    74.5471      2.54889   277.376     309.468     125.006     309.468     
1 1 1 14 6  6  o 34.6681 3.48492 2.04695      0.598076  2.47885      0.616044  10.1145     77.6406     77.2134     77.6406     
1 1 1 14 6  7  f 31.6255 3.69554 1.97648      0.58798   1.80898      0.580926  54.3767     104.737     0           0           
1 1 1 14 6  8  o 49.4433 3.08339 4.10766      0.785442  4.98081      0.770866  33.8612     111.078     14.5172     291.078     
1 1 1 14 6  9  o 93.2015 2.59461 14.7794      1.24819   17.2536      1.24812   72.7691     200.303     46.0697     20.303      
1 1 1 14 6  10 o 12.1642 3.81036 0.0644229    0.505505  -0.553044    0.480493  32.5737     292.771     71.666      292.771     
1 1 1 14 6  11 o 188.788 2.29934 66.7656      2.25774   64.2079      2.24218   237.981     215.753     77.8336     215.753     
1 1 1 14 6  12 o 80.2014 2.49392 10.3915      1.01774   13.3955      1.04073   46.3463     330.002     70.5896     150.002     
1 1 1 14 6  13 o 55.9708 2.75798 5.59799      0.804806  5.98562      0.783884  37.7733     97.261      29.6678     277.261     
1 1 1 14 6  14 o 65.9373 2.66883 9.48253      0.911172  6.68391      0.887709  75.6784     307.397     49.2286     307.397     
1 1 1 14 6  15 o 81.5977 2.50068 12.2544      1.06294   12.2731      1.04738   78.0204     102.264     7.8988      282.264     
1 1 1 14 6  16 o 65.7048 2.66632 7.8229       0.908861  8.11226      0.899289  36.9223     252.535     57.3826     72.5354     
1 1 1 14 6  17 o 82.5985 2.5146  12.5563      1.07717   12.5825      1.07105   111.666     6.10024     63.6903     6.10024     
1 1 1 14 6  18 o 22.618  4.65198 0.784188     0.608313  1.13335      0.562799  10.1259     306.495     46.1873     306.495     
1 1 1 14 6  19 o 137.987 2.55689 37.1454      1.83896   33.0078      1.81348   105.2       226.529     76.8256     46.5287     
1 1 1 14 6  20 o 129.729 2.55506 31.1299      1.71636   30.8669      1.71664   130.654     351.645     6.58441     171.645     
1 1 1 14 6  21 o 165.268 2.44525 53.6857      2.02932   46.9552      2.14386   216.938     149.873     92.7523     149.873     
1 1 1 14 6  22 o 46.8675 3.04261 4.11748      0.734775  4.05822      0.727106  41.1722     152.26      11.7278     152.26      
1 1 1 14 6  23 o 110.685 2.41989 23.3539      1.40109   21.8332      1.37201   114.054     86.9897     3.4123      86.9897     
1 1 1 14 6  24 o 59.2898 2.86714 8.34634      0.885041  4.92447      0.831482  46.8872     345.977     20.8143     165.977     
1 1 1 14 6  25 o 26.0365 4.31739 0.984012     0.587531  1.66038      0.572535  0.353393    145.498     40.797      145.498     
1 1 1 14 6  26 o 89.3964 2.53744 14.7405      1.18504   14.8391      1.16164   70.3356     263.499     40.6619     83.4985     
1 1 1 14 6  27 o 77.2791 2.97602 12.6188      1.2036    9.71419      1.16089   53.6823     323.966     49.0255     143.966     
1 1 1 14 6  28 o 57.7156 3.23897 5.7464       0.950166  6.77211      0.967916  65.6992     218.344     18.6886     218.344     
1 1 1 14 6  29 o 20.9218 4.6677  0.355228     0.615916  1.20638      0.593867  15.7511     325.042     68.9724     325.042     
1 1 1 14 6  30 o 71.7324 2.86384 10.3389      1.07891   8.93808      1.04025   73.656      42.4765     4.85643     42.4765     
1 1 1 14 6  31 o 32.7026 3.82381 2.02812      0.634347  2.12809      0.615985  32.2791     217.041     8.60844     217.041     
1 1 1 14 6  32 o 17.2104 4.35223 0.229267     0.515652  0.71516      0.503187  4.32364     215.343     9.04422     35.3434     
1 1 1 14 6  33 o 17.9344 4.38703 0.786627     0.510698  0.338631     0.510315  7.21851     98.4261     9.64237     278.426     
1 1 1 14 6  34 o 25.0356 4.38064 0.871978     0.599853  1.67833      0.564946  21.1225     219.959     0.702487    39.9589     
1 1 1 14 6  35 o 54.2089 3.25814 5.97839      0.893075  5.33892      0.91613   57.498      173.515     9.47882     173.515     
1 1 1 14 6  36 o 27.2151 4.97069 0.981607     0.769993  2.11306      0.711737  24.2919     318.658     0.7193      138.658     
1 1 1 14 6  37 o 47.1911 3.53473 5.10259      0.863814  3.66358      0.823533  55.428      160.88      20.4037     160.88      
1 1 1 14 6  38 o 60.2406 2.95144 8.3218       0.922504  5.74759      0.888725  58.274      128.025     0.222385    308.023     
1 1 1 14 6  39 o 15.6517 4.46383 0.592595     0.597891  -0.076614    0.562919  7.1289      21.4872     9.96819     201.487     
1 1 1 14 6  40 o 54.3806 3.18001 6.52301      0.941056  5.10946      0.835275  52.1237     209.258     0.210676    209.258     
1 1 1 14 6  41 f 30.8705 4.28975 1.50101      0.655619  2.58192      0.664716  20.2251     56.8068     0           0           
1 1 1 14 6  42 o 19.8955 4.79935 0.982975     0.596975  0.692297     0.600713  14.8546     50.6503     3.11913     230.65      
1 1 1 14 6  43 o 22.0558 4.24013 0.116404     0.601259  1.89268      0.607286  20.3784     139.723     14.4326     139.723     
1 1 1 14 6  44 o 13.5285 4.16823 -0.0200182   0.561174  0.165567     0.541097  3.40027     98.0331     0.737979    98.0331     
1 1 1 14 6  45 o 28.3307 4.74263 1.88108      0.711618  1.86409      0.659912  29.952      220.077     10.0717     220.077     
1 1 1 14 6  46 o 23.4502 5.16218 1.06517      0.709455  1.73655      0.716136  21.1046     238.654     2.00753     238.654     
1 1 1 14 6  47 f 17.4691 4.65974 0.141614     0.626259  1.11265      0.62522   5.11231     87.0208     0           0           
1 1 1 14 6  48 o 12.4034 4.04215 0.104349     0.643858  -0.335888    0.558434  4.26077     89.4684     2.42428     269.468     
1 1 1 14 6  49 o 22.7539 5.41588 2.35968      0.868189  0.687016     0.813802  20.9274     71.8762     5.60294     71.8762     
1 1 1 14 6  50 o 13.9433 4.28076 -0.345843    0.616765  0.676077     0.614297  7.45        282.162     2.09147     102.162     
1 1 1 14 6  51 o 21.4969 5.02418 1.91638      0.71288   0.807919     0.687418  17.8445     317.834     2.00055     317.834     
1 1 1 14 6  52 o 13.3334 4.23048 0.170046     0.616209  0.234197     0.598323  4.3089      242.827     3.30818     62.8274     
1 1 1 14 6  53 o 14.8216 4.50782 0.0386595    0.655207  0.813285     0.648662  5.79781     241.362     0.462744    241.362     
1 1 1 14 6  54 o 13.5954 4.53668 0.281485     0.794034  -0.139919    0.897728  2.16194     158.801     0.158164    158.801     
1 1 1 14 6  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 7  0  o 118.176 2.45862 25.6939      1.50314   25.6939      1.50314   139.252     7.06529e-06 24.3011     7.0653e-06  
1 1 1 14 7  1  o 37.96   3.30996 2.63525      0.654375  2.75111      0.618768  5.01842     147.029     75.275      147.029     
1 1 1 14 7  2  o 77.0227 2.54858 10.5104      1.04466   11.3505      0.979933  45.3072     29.5162     65.7714     209.516     
1 1 1 14 7  3  o 137.555 2.35176 34.9064      1.72852   34.6141      1.62401   154.408     181.825     20.6318     181.825     
1 1 1 14 7  4  o 215.69  2.44355 87.0387      2.74135   83.9417      2.72228   258.772     233.142     59.0683     233.142     
1 1 1 14 7  5  o 184.028 2.35849 62.964       2.18138   61.4798      2.31445   152.932     145.707     85.1673     325.707     
1 1 1 14 7  6  o 134.375 2.35126 31.0715      1.58362   35.3683      1.69057   156.516     260.922     32.7363     260.922     
1 1 1 14 7  7  o 89.819  2.46186 14.8352      1.12002   14.8608      1.16758   109.768     193.554     42.0948     193.554     
1 1 1 14 7  8  o 108.654 2.49587 21.4368      1.31584   22.0069      1.48854   105.919     219.682     12.5076     39.6822     
1 1 1 14 7  9  o 13.6388 4.01143 -0.438033    0.511117  0.332221     0.495492  16.3491     107.542     37.185      107.542     
1 1 1 14 7  10 o 79.9034 2.67697 12.2178      1.12081   11.3242      1.09015   41.1164     258.851     80.6504     78.8513     
1 1 1 14 7  11 o 100.434 2.48076 18.9114      1.34557   18.2188      1.23272   117.099     356.743     30.5296     356.743     
1 1 1 14 7  12 o 73.1075 2.53257 10.1928      0.969215  9.51193      0.944253  78.8124     150.361     16.4122     150.361     
1 1 1 14 7  13 o 17.2254 4.06034 0.933751     0.503445  -0.132562    0.475508  54.6461     32.2024     133.026     32.2024     
1 1 1 14 7  14 o 58.5748 2.74752 6.35955      0.834106  6.31971      0.824909  19.0531     242.848     77.9668     62.848      
1 1 1 14 7  15 o 59.6137 2.75238 6.19115      0.856968  6.95284      0.830586  39.3128     41.9368     37.8223     221.937     
1 1 1 14 7  16 o 98.8329 2.4382  17.0868      1.24682   18.8989      1.24505   71.9301     154.746     59.9636     334.746     
1 1 1 14 7  17 o 172.354 2.32718 52.6997      2.07388   56.5574      2.08272   192.971     355.887     26.0721     355.887     
1 1 1 14 7  18 o 26.6101 4.29423 1.03685      0.582992  1.70669      0.586297  1.87924     57.4184     14.5677     237.418     
1 1 1 14 7  19 o 138.944 2.36548 35.8003      1.71508   35.2209      1.69231   200.423     35.9538     116.962     35.9538     
1 1 1 14 7  20 o 34.8612 3.97196 2.22147      0.68862   2.39362      0.697757  13.9973     110.449     23.1768     290.449     
1 1 1 14 7  21 o 139.889 2.54466 36.456       1.84421   35.6798      1.84298   159.558     170.176     32.1062     170.177     
1 1 1 14 7  22 o 70.9758 2.85592 8.39248      1.03402   10.3092      1.05173   59.2885     295.501     20.7658     115.501     
1 1 1 14 7  23 o 32.5166 3.80712 2.19875      0.634268  1.83828      0.603311  14.6867     129.297     9.01074     309.297     
1 1 1 14 7  24 o 19.9557 4.55334 0.59101      0.543334  0.85432      0.537796  1.7861      43.7265     13.9572     43.7265     
1 1 1 14 7  25 o 102.775 2.46745 19.6717      1.31777   19.3822      1.30744   85.0154     317.81      39.1476     137.81      
1 1 1 14 7  26 o 56.9056 3.19001 5.78652      0.930716  6.33474      0.934379  53.3697     2.82913     5.66628     182.829     
1 1 1 14 7  27 o 25.2444 4.52547 0.737366     0.619348  1.76574      0.619633  0.665193    356.137     46.8058     356.137     
1 1 1 14 7  28 o 69.4721 2.6631  9.76919      0.971776  8.23618      0.936361  76.7284     202.935     15.6131     202.935     
1 1 1 14 7  29 f 27.3719 4.45071 1.81455      0.646908  1.17226      0.598316  27.9364     119.335     0           0           
1 1 1 14 7  30 o 15.4676 4.36535 0.0309977    0.570678  0.410712     0.51008   2.89893     260.96      23.7007     260.96      
1 1 1 14 7  31 o 43.3292 3.18117 3.95296      0.721509  3.20445      0.683522  44.2444     41.1721     6.31215     41.1721     
1 1 1 14 7  32 o 36.8389 3.45825 2.69939      0.655541  2.53965      0.632657  46.2027     75.1181     29.2524     75.1181     
1 1 1 14 7  33 o 17.3895 4.35568 0.722836     0.519067  0.326027     0.481189  6.58002     301.867     12.2985     121.867     
1 1 1 14 7  34 o 39.634  3.44193 2.89535      0.688255  3.21108      0.694817  39.5707     94.7418     3.63051     94.7418     
1 1 1 14 7  35 o 66.9981 3.14954 8.34876      1.09353   8.86188      1.08029   65.8117     282.542     0.243888    282.542     
1 1 1 14 7  36 o 71.3602 3.23084 10.3398      1.19824   9.27721      1.17752   85.3046     151.331     31.321      151.331     
1 1 1 14 7  37 o 44.9963 3.71332 2.99796      0.814104  5.13309      0.826706  50.2146     126.691     14.5613     126.692     
1 1 1 14 7  38 o 50.6704 3.13712 4.67509      0.817384  5.31655      0.81011   43.5616     112.835     10.4051     292.835     
1 1 1 14 7  39 o 51.9117 3.22543 5.12577      0.822149  5.44212      0.895965  44.6405     97.6314     10.2121     277.631     
1 1 1 14 7  40 o 16.0259 4.40118 -0.340875    0.570424  0.84486      0.605333  9.9979      167.541     1.57906     347.541     
1 1 1 14 7  41 o 15.8412 4.34369 -0.147209    0.590882  0.717762     0.529621  7.08404     327.515     2.12555     327.515     
1 1 1 14 7  42 o 12.1411 3.89644 0.0497012    0.558101  -0.481213    0.522689  3.89868     213.302     4.60434     33.3018     
1 1 1 14 7  43 o 12.7376 4.00778 -0.042462    0.534974  -0.0390454   0.530358  5.52029     246.507     3.93605     66.5072     
1 1 1 14 7  44 o 17.6127 4.76064 0.542229     0.597361  0.722436     0.61688   8.38007     351.449     12.9346     171.449     
1 1 1 14 7  45 o 15.5975 4.09072 -0.736524    0.541325  1.09396      0.578106  9.26502     300.829     4.61661     300.829     
1 1 1 14 7  46 o 16.515  4.28228 -0.626522    0.618526  1.2105       0.601245  11.9142     137.007     1.80838     317.007     
1 1 1 14 7  47 o 16.7169 4.76522 0.757906     0.647478  0.434284     0.633232  11.9993     202.655     3.76308     202.655     
1 1 1 14 7  48 o 29.2809 5.21278 3.24177      0.882938  1.49904      0.771698  34.1565     55.9685     20.4427     55.9685     
1 1 1 14 7  49 o 14.107  4.47191 -0.00879275  0.65658   0.389931     0.701282  7.16958     162.264     3.92139     342.264     
1 1 1 14 7  50 o 14.0068 4.3747  0.0821744    0.648764  0.424032     0.613067  7.22823     40.2375     1.56503     220.238     
1 1 1 14 7  51 o 25.3961 5.54188 1.98206      0.725682  2.07157      0.897948  22.4764     221.482     3.85105     221.482     
1 1 1 14 7  52 o 12.2425 4.04424 -0.123155    0.668598  -0.0499522   0.603116  1.95788     72.2969     1.94104     252.297     
1 1 1 14 7  53 f 13.787  4.45587 0.259713     0.717498  0.218347     0.705543  14.7903     264.602     0           0           
1 1 1 14 7  54 o 9.40805 3.32867 -1.04789     0.705605  -1.27576     0.643096  0.0586335   157.231     8.54793     337.231     
1 1 1 14 7  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 8  0  f 230.482 2.30868 97.5322      2.75699   97.5322      2.75699   212.746     180         0           0           
1 1 1 14 8  1  o 69.4871 2.51891 8.60059      0.906282  9.19982      0.901256  65.7204     155.073     2.07214     335.073     
1 1 1 14 8  2  o 25.2431 4.09293 1.44568      0.53425   1.01018      0.518908  10.1193     57.1278     41.5069     57.1278     
1 1 1 14 8  3  o 130.756 2.2818  32.6607      1.55177   30.1999      1.53873   150.174     259.42      28.4784     259.42      
1 1 1 14 8  4  o 92.8417 2.3897  15.6378      1.15175   16.0826      1.14423   94.8667     298.733     1.7784      298.733     
1 1 1 14 8  5  o 67.6946 2.53909 8.35429      0.890964  8.54023      0.884425  76.815      242.773     35.5265     242.773     
1 1 1 14 8  6  o 111.109 2.34506 22.9803      1.3583    22.428       1.33993   145.734     193.878     66.3349     193.878     
1 1 1 14 8  7  o 145.067 2.37116 38.5418      1.8414    38.7993      1.72224   198.93      336.034     97.3623     336.034     
1 1 1 14 8  8  o 16.119  4.25728 0.565514     0.505353  0.0991256    0.479938  16.9572     231.89      41.6113     231.89      
1 1 1 14 8  9  o 60.2031 2.86229 6.06057      0.880129  7.36874      0.890035  24.9996     183.151     68.4407     3.15121     
1 1 1 14 8  10 o 111.109 2.64156 22.8996      1.57879   22.5568      1.45805   134.918     176.595     42.749      176.595     
1 1 1 14 8  11 o 66.7191 3.09451 7.95828      1.07613   8.50999      1.05041   43.6553     130.404     44.9131     310.404     
1 1 1 14 8  12 o 90.381  2.53512 14.5661      1.15885   15.5278      1.21203   94.1812     332.918     5.53106     332.918     
1 1 1 14 8  13 o 52.1871 2.88217 5.09892      0.769503  4.98742      0.777289  49.8905     200.961     11.0677     200.961     
1 1 1 14 8  14 o 58.7755 2.82486 6.21603      0.845727  6.56101      0.865267  61.1171     118.518     13.9507     118.518     
1 1 1 14 8  15 o 115.364 2.39459 25.2006      1.43231   23.79        1.42773   70.541      311.6       98.6105     131.6       
1 1 1 14 8  16 o 116.45  2.38049 25.78        1.44329   24.1457      1.42688   133.973     119.333     28.8428     119.333     
1 1 1 14 8  17 o 71.8185 2.60126 9.7663       0.970392  9.27245      0.959682  64.0562     350.72      14.2568     170.72      
1 1 1 14 8  18 o 49.6772 2.97427 3.89341      0.743212  5.3257       0.761199  9.3328      178.584     77.5878     358.584     
1 1 1 14 8  19 o 86.871  2.48798 14.5199      1.13716   13.3208      1.09865   72.6844     278.615     29.8        98.6153     
1 1 1 14 8  20 o 24.2749 4.31845 1.54693      0.56773   0.736029     0.550677  3.66869     28.4103     28.4969     28.4103     
1 1 1 14 8  21 o 30.6807 3.99261 2.27467      0.654315  1.38056      0.568008  34.6077     2.85613     125.268     2.85613     
1 1 1 14 8  22 o 16.5546 4.41218 -0.10638     0.539578  0.691864     0.56577   13.8489     263.734     40.5073     263.734     
1 1 1 14 8  23 o 74.7593 2.82236 10.0624      1.09009   10.6635      1.08865   60.8827     169.592     27.6079     349.592     
1 1 1 14 8  24 o 92.394  2.74576 15.6018      1.2552    16.038       1.36785   116.127     169.274     47.0375     169.274     
1 1 1 14 8  25 o 67.5308 2.89974 8.81398      1.04854   8.16914      0.97237   68.7646     123.985     2.81397     123.985     
1 1 1 14 8  26 o 30.7383 4.28875 1.72415      0.657253  1.95984      0.660655  23.5782     128.961     5.66024     308.961     
1 1 1 14 8  27 o 45.436  3.29865 4.85197      0.780741  3.04477      0.726201  52.8258     109.054     21.1954     109.054     
1 1 1 14 8  28 o 89.6913 2.53301 15.7754      1.1907    14.1666      1.15876   99.288      281.169     19.0296     281.169     
1 1 1 14 8  29 o 43.8853 3.39846 3.4973       0.773655  3.83321      0.743477  42.4645     325.306     1.79418     325.306     
1 1 1 14 8  30 o 57.3234 2.911   5.65332      0.827714  6.7412       0.889922  36.5419     97.3417     40.0645     277.342     
1 1 1 14 8  31 o 29.2534 3.99898 1.88777      0.591072  1.50588      0.577165  28.2467     69.4859     6.92392     69.4859     
1 1 1 14 8  32 o 19.7449 4.4075  0.558889     0.514563  0.946644     0.513028  4.94369     135.165     23.8026     315.165     
1 1 1 14 8  33 o 33.2954 3.85824 2.29091      0.657226  2.0972       0.628528  25.7795     140.594     11.2246     320.594     
1 1 1 14 8  34 o 34.2259 3.9416  2.42401      0.693463  2.2422       0.657215  35.0993     7.65768     6.29624     7.65768     
1 1 1 14 8  35 o 17.6394 4.33826 1.03009      0.566196  -0.124238    0.543814  10.2012     205.284     8.57989     25.2837     
1 1 1 14 8  36 f 19.7652 4.59736 0.305586     0.599177  1.14134      0.574558  20.1425     17.0478     0           0           
1 1 1 14 8  37 o 35.2731 3.98493 2.11334      0.721428  2.94375      0.659071  32.5274     196.68      1.25073     16.6796     
1 1 1 14 8  38 o 17.7652 4.59534 0.435535     0.561372  0.713884     0.55386   9.83022     295.981     9.53537     115.981     
1 1 1 14 8  39 o 32.4297 4.10532 2.93739      0.680702  1.51434      0.63211   16.2637     31.267      28.3204     211.267     
1 1 1 14 8  40 o 13.2776 4.10396 -0.142928    0.5116    0.149902     0.563719  4.69514     347.651     2.26632     167.651     
1 1 1 14 8  41 o 18.9698 4.83516 0.306001     0.652575  1.06217      0.632049  15.1232     61.9228     6.90768     61.9228     
1 1 1 14 8  42 o 22.2022 4.37795 1.81283      0.614596  0.313173     0.588293  21.9214     157.751     7.27367     157.751     
1 1 1 14 8  43 o 42.5328 3.60004 3.96385      0.779449  3.55031      0.774071  46.4629     233.223     14.3115     233.223     
1 1 1 14 8  44 o 18.6921 4.07026 1.63918      0.614218  -0.534196    0.555037  15.828      109.934     1.28012     109.934     
1 1 1 14 8  45 o 17.5027 4.74073 0.744779     0.619605  0.603294     0.584075  2.94521     284.539     24.4272     104.539     
1 1 1 14 8  46 o 17.3228 4.49859 1.22508      0.624203  -0.0454016   0.574502  11.743      355.007     6.38822     355.007     
1 1 1 14 8  47 o 13.9954 4.38024 0.1656       0.652189  0.190471     0.604254  6.01598     184.352     0.231112    184.352     
1 1 1 14 8  48 f 13.4695 4.48849 0.0805352    0.777627  -0.620091    0.883123  4.20951     120.488     0           0           
1 1 1 14 8  49 o 20.6362 5.37271 1.22844      0.807939  1.34418      0.718007  13.4977     86.3115     6.76909     266.312     
1 1 1 14 8  50 o 12.6245 4.08472 -0.259908    0.626644  0.244293     0.596425  4.45811     100.181     4.04274     280.181     
1 1 1 14 8  51 o 18.7497 5.06436 1.08469      0.682549  1.04251      0.688251  13.4318     245.722     1.68153     245.722     
1 1 1 14 8  52 o 17.0375 4.9003  0.690855     0.678316  0.972365     0.686482  9.47144     321.941     5.35567     141.941     
1 1 1 14 8  53 o 16.7596 5.03955 1.00357      0.802913  0.755849     0.726784  10.8836     297.852     1.27945     297.852     
1 1 1 14 8  54 o 13.837  4.44698 0.055253     0.738723  0.494583     0.677695  6.81021     208.084     0.248112    28.0841     
1 1 1 14 9  0  o 274.401 2.37944 138.241      3.38333   138.241      3.38333   291.831     180         1.73273     8.65148e-06 
1 1 1 14 9  1  o 96.6816 2.37737 16.6589      1.18262   17.7443      1.19611   122.28      16.1566     51.8442     16.1566     
1 1 1 14 9  2  o 84.689  2.42352 13.8176      1.06501   12.6016      1.05703   107.677     75.5715     52.1542     75.5715     
1 1 1 14 9  3  f 76.9336 2.48533 10.9735      0.99532   10.8304      0.981713  131.693     326.752     0           0           
1 1 1 14 9  4  o 115.504 2.33564 23.1252      1.39326   25.9849      1.3973    104.447     27.8871     30.542      207.887     
1 1 1 14 9  5  f 133.39  2.40159 33.1498      1.73011   32.2759      1.58804   123.592     264.157     0           0           
1 1 1 14 9  6  o 76.0085 2.59674 10.4411      1.06087   10.8556      0.975375  63.0037     310.309     25.7078     130.309     
1 1 1 14 9  7  f 46.9055 3.03408 3.84309      0.757843  4.33196      0.692737  48.5515     165.692     0           0           
1 1 1 14 9  8  o 63.0534 2.70037 8.44843      0.92576   6.3083       0.828329  52.4786     314.919     16.4866     134.919     
1 1 1 14 9  9  o 60.8322 2.82175 6.00257      0.905556  7.72835      0.843097  65.9768     284.468     40.9504     284.468     
1 1 1 14 9  10 o 157.351 2.4897  45.0047      2.04057   46.0387      2.02036   149.679     215.49      29.8812     35.4895     
1 1 1 14 9  11 o 137.081 2.51819 33.342       1.79124   35.8103      1.78372   132.106     291.923     21.1463     111.923     
1 1 1 14 9  12 o 166.995 2.41567 50.8746      2.17672   51.6674      2.00021   180.211     88.7299     11.6209     88.7299     
1 1 1 14 9  13 f 54.606  2.82392 5.6419       0.808645  5.39564      0.779038  36.8858     201.244     0           0           
1 1 1 14 9  14 o 71.3635 2.65276 9.5599       1.00914   9.23656      0.946423  43.447      155.394     56.762      335.394     
1 1 1 14 9  15 o 21.0506 4.3945  1.19812      0.56179   0.447458     0.509675  14.8519     189.118     53.456      189.118     
1 1 1 14 9  16 o 47.8845 3.02058 4.70745      0.765147  3.83533      0.716553  28.2381     89.6388     32.2342     269.639     
1 1 1 14 9  17 o 149.037 2.59698 41.9239      1.92608   39.9084      2.07695   175.978     55.4706     45.0993     55.4706     
1 1 1 14 9  18 o 81.7528 2.64588 11.9467      1.12043   12.7363      1.11504   99.756      2.8488      40.4824     2.8488      
1 1 1 14 9  19 o 97.4366 2.50838 17.7932      1.24018   17.2336      1.2879    110.09      154.449     25.2833     154.449     
1 1 1 14 9  20 o 68.6956 2.68886 9.38112      0.946848  8.1043       0.955832  57.5439     69.8088     19.4464     249.809     
1 1 1 14 9  21 o 89.5316 2.53133 15.0434      1.15287   14.5748      1.19078   75.0733     126.887     30.3305     306.887     
1 1 1 14 9  22 o 23.9212 4.02213 1.94577      0.571587  0.269228     0.538816  3.93693     116.741     14.2608     296.741     
1 1 1 14 9  23 o 111.786 2.78587 22.0234      1.59761   24.3181      1.62405   143.01      121.152     59.9193     121.152     
1 1 1 14 9  24 o 62.3539 3.15113 6.24797      0.988832  8.35514      1.02181   59.1468     282.041     5.61653     102.041     
1 1 1 14 9  25 o 53.353  3.24728 5.22663      0.846967  5.46235      0.931097  45.8269     7.23619     13.1118     187.236     
1 1 1 14 9  26 o 107.314 2.61841 20.7173      1.45816   22.0856      1.4491    114.307     163.125     12.0474     163.125     
1 1 1 14 9  27 o 99.9522 2.48925 19.3912      1.29784   17.7561      1.27648   81.4885     25.6704     38.2878     205.67      
1 1 1 14 9  28 o 72.7938 2.61754 10.3803      1.00106   9.41029      0.96737   55.8157     133.577     33.3199     313.577     
1 1 1 14 9  29 o 49.0957 3.21937 3.99489      0.805618  5.18623      0.800755  42.4015     211.168     10.4085     31.1681     
1 1 1 14 9  30 o 30.0042 4.07355 2.21181      0.60356   1.38709      0.611013  17.9953     167.726     19.259      347.726     
1 1 1 14 9  31 o 40.2268 3.28787 3.36633      0.680115  2.86087      0.662959  44.6488     74.1206     13.6324     74.1206     
1 1 1 14 9  32 o 12.9522 3.93376 -0.0854937   0.500976  0.0957159    0.454931  5.55723     55.92       30.7085     55.92       
1 1 1 14 9  33 o 14.3697 4.1198  0.0119893    0.493633  0.360301     0.481331  1.0179      122.396     19.943      302.396     
1 1 1 14 9  34 o 27.6154 4.38619 1.92754      0.630241  1.22327      0.60383   33.0027     160.765     20.9642     160.765     
1 1 1 14 9  35 o 26.4885 4.35421 0.789778     0.60573   2.15962      0.6253    14.3083     235.586     20.6687     55.5862     
1 1 1 14 9  36 o 18.196  4.15456 1.34899      0.604841  -0.45661     0.531131  8.01241     4.32563     15.3136     184.326     
1 1 1 14 9  37 o 15.4169 4.21807 0.0406549    0.526166  0.571407     0.481096  8.51042     13.8011     4.71102     193.801     
1 1 1 14 9  38 o 22.5903 4.65529 0.976548     0.585356  1.20833      0.576825  10.4947     202.184     19.5894     22.1844     
1 1 1 14 9  39 o 32.4897 4.11253 2.79587      0.675629  1.66315      0.645509  25.1821     338.965     9.79232     158.965     
1 1 1 14 9  40 o 25.2546 4.58026 1.17653      0.625245  1.61295      0.592542  22.1002     5.1467      0.154776    185.147     
1 1 1 14 9  41 o 18.6891 4.80729 0.335186     0.619579  1.0385       0.637914  13.6159     97.4096     7.28058     97.4096     
1 1 1 14 9  42 o 56.828  3.45665 6.6216       1.00757   6.5704       1.00911   63.8608     237.547     21.3518     237.547     
1 1 1 14 9  43 o 46.4168 3.48702 4.1842       0.829956  4.75953      0.816941  55.4896     207.704     25.4013     207.704     
1 1 1 14 9  44 o 10.8411 3.64162 -0.123395    0.5466    -1.20894     0.627139  1.2242      95.8922     0.447919    275.892     
1 1 1 14 9  45 o 16.2113 4.39812 1.17163      0.651761  -0.4153      0.555221  12.3845     93.4914     2.32836     93.4914     
1 1 1 14 9  46 f 12.7315 4.04584 -0.0384101   0.567312  0.0698001    0.549279  10.7317     245.956     0           0           
1 1 1 14 9  47 o 18.9208 5.09559 0.955721     0.705809  0.95078      0.679294  9.50111     120.191     12.0011     300.191     
1 1 1 14 9  48 o 16.979  4.98936 0.961391     0.755237  0.437663     0.706929  11.8803     251.825     0.146815    71.825      
1 1 1 14 9  49 f 14.8508 4.40055 -0.250549    0.602587  0.919771     0.637331  7.45792     133.135     0           0           
1 1 1 14 9  50 o 15.7152 4.57938 0.282812     0.639728  0.839179     0.607716  8.83615     36.8036     1.8713      216.804     
1 1 1 14 9  51 o 13.6864 4.3226  0.437923     0.640668  0.0347864    0.620479  4.64878     329.454     2.20009     149.454     
1 1 1 14 9  52 o 11.9831 3.97757 -0.0652728   0.628555  -0.138284    0.625189  1.80343     51.7947     1.23061     231.795     
1 1 1 14 9  53 o 12.5146 4.13975 0.504459     0.71512   -0.708282    0.655697  4.49747     246.184     2.40441     66.1842     
1 1 1 14 9  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 10 0  o 95.3424 2.41675 16.7475      1.19091   16.7475      1.19091   71.0577     3.41723e-06 60.2878     180         
1 1 1 14 10 1  o 172.318 2.38155 51.9118      2.18688   57.2983      2.05515   170.736     156.994     20.0279     336.994     
1 1 1 14 10 2  o 114.267 2.45135 23.7347      1.50617   24.3123      1.39044   155.471     113.475     79.312      113.475     
1 1 1 14 10 3  o 86.2693 2.62509 12.8776      1.16194   14.5719      1.17785   96.7186     155.844     21.4114     155.844     
1 1 1 14 10 4  f 112.711 2.53554 22.5119      1.46841   24.2656      1.48972   115.826     62.4812     0           0           
1 1 1 14 10 5  o 59.067  2.89156 6.7871       0.884492  6.1244       0.873894  49.4605     234.775     12.9904     54.7755     
1 1 1 14 10 6  o 135.148 2.49022 33.1443      1.74046   34.0633      1.74544   169.913     72.5263     60.6209     72.5263     
1 1 1 14 10 7  f 54.5561 3.00892 6.14856      0.846681  4.91262      0.834225  109.046     302.69      0           0           
1 1 1 14 10 8  o 126.02  2.52291 29.839       1.65233   28.6197      1.64015   135.311     329.725     9.97217     329.725     
1 1 1 14 10 9  o 132.973 2.51319 32.6623      1.73547   32.4159      1.726     140.652     7.78482     5.64544     7.78476     
1 1 1 14 10 10 o 22.3154 4.73825 0.643392     0.583108  1.21094      0.625018  2.42824     42.7833     14.7255     42.7833     
1 1 1 14 10 11 o 88.9513 2.94466 14.8729      1.37099   14.3386      1.33703   94.776      278.061     10.0556     278.061     
1 1 1 14 10 12 o 155.563 2.64157 44.1825      2.22783   44.9183      2.0236    171.39      105.871     19.9779     105.871     
1 1 1 14 10 13 o 124.323 2.45648 28.8087      1.6533    28.1049      1.50792   114.326     164.752     27.7109     344.752     
1 1 1 14 10 14 o 96.398  2.43708 17.2338      1.22301   17.0028      1.20864   58.1142     358.738     81.01       178.738     
1 1 1 14 10 15 o 45.2882 3.19161 3.99739      0.712053  3.65014      0.761421  37.6852     253.138     11.2698     253.138     
1 1 1 14 10 16 o 39.5061 3.308   3.60392      0.668238  2.3137       0.637179  19.9016     233.334     25.6712     53.334      
1 1 1 14 10 17 o 92.6698 2.45502 15.4338      1.17679   16.2449      1.17705   92.4912     351.219     0.701643    171.22      
1 1 1 14 10 18 o 42.3051 3.14295 3.31189      0.689982  3.37553      0.667347  29.2424     182.887     10.991      2.88726     
1 1 1 14 10 19 o 107.208 2.40548 21.7232      1.34346   20.6872      1.32648   134.194     351.485     53.1549     351.485     
1 1 1 14 10 20 o 42.2863 3.21038 3.53195      0.720153  3.17224      0.665581  2.1553      278.88      76.7458     98.8802     
1 1 1 14 10 21 o 135.938 2.57816 34.8698      1.88437   33.4538      1.74532   135.603     161.543     6.32541     341.543     
1 1 1 14 10 22 o 79.462  2.74757 12.2924      1.17002   11.1547      1.08706   86.7459     10.6295     14.4286     10.6295     
1 1 1 14 10 23 o 46.3444 3.17406 3.7772       0.750567  4.29471      0.752654  48.0149     119.206     7.80763     119.206     
1 1 1 14 10 24 o 25.3588 4.39162 0.458575     0.657678  2.01787      0.606998  14.2346     341.282     11.0555     161.282     
1 1 1 14 10 25 o 12.0313 3.78831 0.112459     0.512902  -0.733575    0.497476  17.5899     179.796     50.3632     179.796     
1 1 1 14 10 26 f 20.0295 4.60716 0.390436     0.532366  1.08165      0.604823  21.0569     319.886     0           0           
1 1 1 14 10 27 o 46.8754 3.0421  3.97505      0.723777  4.32161      0.737546  49.291      338.044     9.51428     338.044     
1 1 1 14 10 28 o 16.065  3.84239 0.976621     0.507762  -0.523388    0.459134  1.3055      115.657     24.2838     115.657     
1 1 1 14 10 29 o 43.4069 3.42504 3.30586      0.759455  3.9344       0.748427  33.9438     354.307     15.7375     174.307     
1 1 1 14 10 30 o 15.5782 4.19395 0.566836     0.479386  0.0395163    0.503014  0.058266    160.371     23.6523     160.372     
1 1 1 14 10 31 o 32.9384 3.7667  2.09359      0.627614  2.18335      0.614163  31.0793     32.7796     1.07265     32.7797     
1 1 1 14 10 32 o 23.8344 4.44249 1.23052      0.576368  1.102        0.537012  20.9158     48.824      1.23817     48.8239     
1 1 1 14 10 33 o 22.2462 4.13078 0.316003     0.548043  1.6405       0.541077  14.3067     19.3492     11.1639     199.349     
1 1 1 14 10 34 f 17.6381 4.51411 0.711643     0.549567  0.384354     0.523635  11.3157     310.625     0           0           
1 1 1 14 10 35 o 73.7294 2.93141 12.2641      1.13125   8.72955      1.08187   71.466      76.9696     0.280335    256.97      
1 1 1 14 10 36 o 19.0802 4.74425 0.674777     0.598511  0.748818     0.567151  14.0065     158.08      2.65099     338.08      
1 1 1 14 10 37 o 10.1383 3.36729 -0.254519    0.469239  -0.567273    0.432698  4.52534     166.02      23.3716     166.02      
1 1 1 14 10 38 o 13.3697 3.88549 -0.486197    0.485773  0.497403     0.482984  2.45795     238.298     15.2308     58.2979     
1 1 1 14 10 39 o 13.4501 4.04669 -0.11806     0.508625  0.276103     0.499728  3.45646     247.148     12.7888     67.1484     
1 1 1 14 10 40 o 15.7054 4.47638 0.182498     0.537868  0.530221     0.592363  9.54601     124.863     1.77869     124.863     
1 1 1 14 10 41 o 30.7647 4.59516 1.78947      0.663257  2.44634      0.759711  34.9081     231.634     15.4225     231.634     
1 1 1 14 10 42 o 16.2531 4.6994  0.153167     0.62698   0.656669     0.652581  10.8894     210.352     2.95515     30.3519     
1 1 1 14 10 43 o 25.1513 5.16142 1.88963      0.791284  1.2775       0.638034  19.7335     268.069     4.75838     88.0692     
1 1 1 14 10 44 o 15.0854 4.46501 0.489397     0.598066  0.196532     0.581172  7.1415      91.7153     9.59858     271.715     
1 1 1 14 10 45 o 20.0578 4.9562  0.869475     0.646972  1.17231      0.634502  17.3322     204.845     3.25234     204.845     
1 1 1 14 10 46 o 18.2545 4.81538 0.385114     0.627002  1.23144      0.660707  14.3914     5.94738     5.21746     5.94738     
1 1 1 14 10 47 o 13.2456 4.13501 -0.404005    0.627336  0.459302     0.56173   6.05078     21.7473     2.89704     201.747     
1 1 1 14 10 48 o 23.712  5.76685 1.95045      0.880583  1.68112      0.835448  19.7566     74.2132     0.619224    74.2132     
1 1 1 14 10 49 o 13.242  4.29356 -0.134211    0.633007  0.289664     0.702403  4.03791     79.5052     9.2867      259.505     
1 1 1 14 10 50 o 19.3907 5.06164 0.919861     0.682248  1.35347      0.682659  13.8362     51.5692     5.53062     51.5692     
1 1 1 14 10 51 o 12.2142 4.00589 -0.583683    0.642882  0.307393     0.616376  0.399162    283.187     15.7136     103.187     
1 1 1 14 10 52 o 16.3566 4.61154 -0.280892    0.675938  1.46903      0.700017  10.6777     173.301     1.04537     173.301     
1 1 1 14 10 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 11 0  o 45.1565 3.29367 3.8651       0.750533  3.8651       0.750533  8.72427     180         77.345      8.65117e-06 
1 1 1 14 11 1  o 157.659 2.48145 45.7751      2.02508   45.6316      2.03079   158.565     148.507     11.5854     328.507     
1 1 1 14 11 2  o 28.8942 4.18856 2.16554      0.612975  1.09006      0.604008  2.31272     134.52      5.59581     314.52      
1 1 1 14 11 3  o 101.089 2.55897 19.2027      1.34266   18.4368      1.33456   105.869     174.535     5.40015     174.535     
1 1 1 14 11 4  o 12.2245 3.74613 0.15419      0.453243  -0.493646    0.472436  34.4315     294.535     78.761      294.535     
1 1 1 14 11 5  o 38.7381 3.43645 3.08302      0.684922  2.55084      0.661463  23.0939     266.905     1.50227     266.905     
1 1 1 14 11 6  o 105.292 2.46219 19.2687      1.28631   21.5819      1.39846   121.593     313.787     28.4492     313.787     
1 1 1 14 11 7  o 110.746 2.48685 22.2344      1.37201   22.927       1.47895   133.774     155.723     41.597      155.723     
1 1 1 14 11 8  o 52.3767 2.94009 4.60714      0.763329  5.58526      0.818651  47.8622     328.529     0.690562    328.529     
1 1 1 14 11 9  o 98.7333 2.52307 18.2294      1.24131   17.6874      1.33365   61.3316     316.405     80.0341     136.405     
1 1 1 14 11 10 f 28.828  4.3683  1.59806      0.582843  1.59757      0.682934  15.7799     259.951     0           0           
1 1 1 14 11 11 o 132.145 2.80541 31.6476      1.91768   32.7453      1.92093   134.979     293.767     1.98923     113.767     
1 1 1 14 11 12 o 41.8894 3.86939 3.49221      0.832265  3.11601      0.806936  27.1313     223.28      14.9138     43.2798     
1 1 1 14 11 13 o 39.6074 3.79951 2.91878      0.722902  2.99236      0.795828  25.3513     223.415     1.56011     43.4153     
1 1 1 14 11 14 o 94.1747 2.63875 15.3602      1.27494   17.401       1.29348   83.8771     107.847     22.1274     287.847     
1 1 1 14 11 15 o 111.649 2.58031 22.6935      1.48684   23.2951      1.49573   133.521     13.7936     42.2561     13.7936     
1 1 1 14 11 16 o 94.1553 2.5715  15.81        1.30317   16.9294      1.19479   92.5635     238.546     3.65859     58.5462     
1 1 1 14 11 17 o 30.6828 3.80327 2.70786      0.589359  1.05076      0.547913  10.4135     172.173     19.2808     352.173     
1 1 1 14 11 18 o 93.7903 2.4436  16.9663      1.19455   15.5361      1.17637   95.3986     78.8568     2.28355     78.8568     
1 1 1 14 11 19 o 82.7782 2.49842 12.8701      1.07459   12.4736      1.0645    116.97      243.088     72.9867     243.088     
1 1 1 14 11 20 o 24.0756 4.35799 0.902554     0.555218  1.35531      0.54902   8.11726     64.175      14.5128     244.175     
1 1 1 14 11 21 o 16.3425 4.05434 0.85781      0.512651  -0.24131     0.470262  2.67594     269.006     23.1575     269.006     
1 1 1 14 11 22 o 10.7523 3.40565 -0.690691    0.435834  0.0565547    0.404568  8.50672     40.1891     23.7608     40.1891     
1 1 1 14 11 23 o 26.4284 4.14451 1.08537      0.57598   1.65837      0.535949  15.6653     92.4485     11.7065     272.448     
1 1 1 14 11 24 o 79.1865 2.71641 12.3546      1.13253   11.0333      1.0901    75.4826     201.288     7.07215     21.2877     
1 1 1 14 11 25 o 15.5472 4.26114 0.184474     0.513363  0.410137     0.477284  10.7222     212.926     44.2135     212.926     
1 1 1 14 11 26 o 48.4718 3.25681 5.0923       0.80585   3.85515      0.797838  44.8899     203.453     3.54592     23.453      
1 1 1 14 11 27 o 25.8634 4.64489 1.23647      0.658099  1.44945      0.594272  16.4034     31.0232     11.0631     211.023     
1 1 1 14 11 28 o 43.1165 3.45371 4.07003      0.750679  3.10366      0.751599  37.2822     14.0512     8.1243      194.051     
1 1 1 14 11 29 o 19.4155 4.65892 0.616862     0.596889  0.786215     0.5303    8.78871     66.7842     13.2397     246.784     
1 1 1 14 11 30 o 12.2594 3.85734 -0.155888    0.489371  -0.112862    0.497588  2.27063     356.461     20.0592     356.461     
1 1 1 14 11 31 o 21.0197 4.64777 0.927601     0.57055   0.851751     0.55423   3.50284     165.686     30.9902     345.686     
1 1 1 14 11 32 o 26.8318 4.23974 2.09017      0.592242  0.899403     0.589616  25.8423     49.9088     3.43144     49.9088     
1 1 1 14 11 33 o 12.6463 3.89708 -0.0641532   0.480431  0.00613971   0.479764  5.75437     338.285     32.5051     338.285     
1 1 1 14 11 34 o 21.6111 4.62823 0.932515     0.56025   1.00689      0.566148  20.842      5.42707     9.1033      5.42707     
1 1 1 14 11 35 o 14.7761 4.26663 0.174002     0.504959  0.305243     0.530447  6.80769     301.324     0.325247    121.324     
1 1 1 14 11 36 o 24.5633 5.04338 1.36814      0.657151  1.26639      0.705656  22.3313     64.0048     2.21338     64.0049     
1 1 1 14 11 37 o 41.0428 3.72557 2.59431      0.711758  4.31979      0.815341  42.1556     354.437     7.618       354.437     
1 1 1 14 11 38 o 24.6461 4.74868 1.41333      0.674305  1.26381      0.572496  22.1236     334.907     1.62459     334.907     
1 1 1 14 11 39 o 17.8611 4.38367 0.000431934  0.566404  1.0925       0.559007  8.20451     123.189     13.7023     303.189     
1 1 1 14 11 40 o 17.6398 4.59853 0.411404     0.590158  0.79649      0.546102  10.3056     273.627     8.41227     93.6265     
1 1 1 14 11 41 o 14.7987 4.01786 -0.584148    0.540098  0.823556     0.514978  8.83376     181.507     4.3505      1.5072      
1 1 1 14 11 42 o 10.8719 3.60146 -0.412933    0.520539  -0.265882    0.500572  2.20738     92.1891     1.17996     272.189     
1 1 1 14 11 43 o 12.1669 3.98945 -0.150741    0.606881  -0.314604    0.594265  3.85124     219.043     9.86007     39.0426     
1 1 1 14 11 44 o 36.8318 4.3852  3.30619      0.867883  2.98774      0.74565   37.8904     341.207     9.80104     341.207     
1 1 1 14 11 45 o 23.6152 5.08121 1.66172      0.69824   1.31342      0.662224  24.0822     156.516     11.5886     156.516     
1 1 1 14 11 46 f 11.4851 3.76401 0.0544155    0.541233  -0.453015    0.541953  16.3022     114.595     0           0           
1 1 1 14 11 47 o 12.7841 4.09993 -0.408521    0.634642  0.322918     0.588648  5.40542     138.078     2.38718     318.078     
1 1 1 14 11 48 o 15.3438 4.58873 0.897202     0.663453  -0.024028    0.667964  8.87069     1.30608     1.05986     181.306     
1 1 1 14 11 49 o 10.6713 3.62905 -0.542496    0.584078  -0.334689    0.594047  0.396485    153.508     9.45305     333.508     
1 1 1 14 11 50 o 15.3651 4.64713 0.548535     0.648919  0.54959      0.666365  5.928       242.792     0.926328    242.792     
1 1 1 14 11 51 o 17.3144 4.67198 1.60024      0.701855  -0.0656028   0.649676  11.2536     331.635     4.28359     331.635     
1 1 1 14 11 52 o 11.4408 3.87527 0.0399925    0.690333  -0.629664    0.614143  1.03226     106.026     0.462024    286.026     
1 1 1 14 11 53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 12 0  o 68.8182 3.08127 8.80762      1.08894   8.80762      1.08894   69.7813     180         4.81        360         
1 1 1 14 12 1  o 77.3762 2.96076 10.1043      1.17055   12.0625      1.19      98.5319     262.602     48.3335     262.602     
1 1 1 14 12 2  o 114.118 2.70044 24.963       1.52413   23.0523      1.65607   142.79      143.876     53.5488     143.876     
1 1 1 14 12 3  o 22.2038 4.33464 0.63008      0.511126  1.24994      0.546281  12.7522     107.847     51.5018     107.847     
1 1 1 14 12 4  o 145.98  2.32447 41.6442      1.77207   36.8007      1.74243   157.874     132.371     14.2439     132.371     
1 1 1 14 12 5  o 64.0792 2.59695 7.36883      0.863253  7.79729      0.85387   69.3953     189.065     18.0611     189.065     
1 1 1 14 12 6  o 112.044 2.36485 22.0543      1.3666    24.1894      1.37544   116.087     184.251     3.45223     184.251     
1 1 1 14 12 7  o 42.9123 3.06479 2.84272      0.654416  4.07179      0.674548  31.8463     276.456     4.99365     96.4564     
1 1 1 14 12 8  o 172.913 2.3289  54.8499      2.08794   55.1367      2.08689   194.061     191.261     30.7722     191.261     
1 1 1 14 12 9  o 25.1858 4.12084 1.43573      0.532367  1.01608      0.527345  3.24154     41.8732     32.402      41.8732     
1 1 1 14 12 10 o 109.538 2.37862 21.4612      1.34794   22.7461      1.34919   127.196     116.591     33.171      116.591     
1 1 1 14 12 11 o 73.1042 2.79229 9.38289      1.05608   10.3906      1.04977   61.8329     161.906     20.1413     341.907     
1 1 1 14 12 12 o 81.5963 2.73229 11.4142      1.15053   13.223       1.14921   69.1705     130.84      23.9165     310.84      
1 1 1 14 12 13 o 92.6666 2.66739 16.4869      1.28068   15.242       1.27519   94.8142     273.795     4.68803     273.795     
1 1 1 14 12 14 o 91.6795 2.54807 14.5386      1.15439   16.5301      1.26353   102.499     125.168     22.6712     125.168     
1 1 1 14 12 15 o 11.559  3.66529 0.0108122    0.472635  -0.592192    0.470649  2.03987     87.3257     4.8063      87.3257     
1 1 1 14 12 16 o 115.449 2.60664 25.0273      1.56117   24.2318      1.55444   126.822     211.273     19.8313     211.273     
1 1 1 14 12 17 o 57.6449 3.02772 7.38221      0.906358  5.09811      0.871153  43.7947     114.46      25.0408     294.46      
1 1 1 14 12 18 o 93.4443 2.65398 17.8063      1.3575    14.6191      1.20928   90.8978     215.169     6.74674     35.1688     
1 1 1 14 12 19 o 23.9659 4.34737 1.26312      0.558859  0.983481     0.529735  9.12357     155.048     19.7044     335.048     
1 1 1 14 12 20 o 32.8608 3.80223 1.76272      0.625802  2.40504      0.6132    21.9078     295.552     15.8879     115.552     
1 1 1 14 12 21 o 57.3989 2.75802 5.34873      0.814705  6.99302      0.802777  59.8347     182.401     7.52985     182.401     
1 1 1 14 12 22 f 34.3857 3.54544 2.60774      0.641332  1.93954      0.582082  14.8534     263.327     0           0           
1 1 1 14 12 23 o 26.37   4.15624 1.51119      0.573787  1.23148      0.534757  18.0238     94.4505     4.58629     274.451     
1 1 1 14 12 24 o 55.254  2.94846 5.6063       0.844251  5.8701       0.83147   46.7013     334.023     14.5275     154.023     
1 1 1 14 12 25 o 20.1432 4.29462 0.949982     0.495012  0.620949     0.487759  3.74292     312.113     24.3453     132.113     
1 1 1 14 12 26 o 39.7754 3.23588 3.0803       0.662287  2.96408      0.647781  26.1736     315.111     23.817      135.111     
1 1 1 14 12 27 o 41.1741 3.3773  2.7459       0.718139  3.80842      0.664842  27.6392     74.5887     23.999      254.589     
1 1 1 14 12 28 o 24.0656 4.69374 1.46292      0.648406  0.914127     0.573435  20.5076     120.684     2.23498     120.684     
1 1 1 14 12 29 o 23.3713 4.55679 0.418965     0.586112  1.80209      0.665243  10.9335     87.0312     20.0913     267.031     
1 1 1 14 12 30 o 72.6802 2.79288 9.46385      1.04718   10.5908      1.04649   75.0857     52.8452     7.92416     52.8452     
1 1 1 14 12 31 o 14.6645 4.11655 0.147308     0.478272  0.363524     0.463882  7.22396     75.6526     4.17983     255.653     
1 1 1 14 12 32 o 38.917  3.64357 2.64028      0.691228  3.3532       0.73862   39.3746     357.714     5.08712     357.714     
1 1 1 14 12 33 o 18.7319 4.62225 0.0686645    0.53739   1.18226      0.661911  2.13221     68.4493     29.0623     248.449     
1 1 1 14 12 34 o 29.3279 4.6586  1.88047      0.750366  1.76821      0.631496  14.32       190.718     25.9873     10.718      
1 1 1 14 12 35 o 14.8301 4.3508  -0.0783476   0.608368  0.395578     0.526715  6.40471     29.7074     8.82175     209.707     
1 1 1 14 12 36 o 32.5522 4.61069 1.70472      0.777424  2.87248      0.717662  31.5992     31.1245     3.86431     31.1245     
1 1 1 14 12 37 o 17.9637 4.2673  -0.0520828   0.551193  1.12835      0.540491  12.5798     246.108     2.97937     66.1081     
1 1 1 14 12 38 o 21.1698 4.78933 0.965079     0.584628  1.00892      0.603313  19.2286     152.102     4.44808     152.102     
1 1 1 14 12 39 o 39.4292 3.61258 3.15826      0.718338  3.24994      0.723618  42.9171     152.17      13.3677     152.17      
1 1 1 14 12 40 o 9.82138 3.30654 -0.0949579   0.498411  -1.06064     0.438744  0.416061    99.045      13.5379     99.045      
1 1 1 14 12 41 o 34.064  4.09682 2.57418      0.691845  2.51273      0.702893  39.7708     155.417     18.6626     155.417     
1 1 1 14 12 42 o 36.4526 4.01791 2.86796      0.720552  3.0079       0.748457  33.8899     71.3789     1.54789     71.3788     
1 1 1 14 12 43 o 16.5521 4.70177 0.366217     0.576088  0.764065     0.661901  11.6634     83.2431     1.00588     263.243     
1 1 1 14 12 44 o 13.1413 4.21497 0.399169     0.655032  -0.6944      0.655934  5.6263      44.2865     3.12518     224.286     
1 1 1 14 12 45 f 20.9323 5.05351 1.15265      0.721056  1.23743      0.609794  5.45069     321.026     0           0           
1 1 1 14 12 46 o 22.3181 4.7053  0.637249     0.65703   2.02143      0.662882  21.5163     280.694     8.03124     280.694     
1 1 1 14 12 47 o 15.891  4.71437 1.10489      0.736692  -0.0398588   0.640397  9.74706     164.23      1.65608     344.23      
1 1 1 14 12 48 o 8.77701 3.07703 -1.10677     0.532043  -0.729702    0.527403  1.12296     224.73      7.83902     224.73      
1 1 1 14 12 49 o 23.8915 5.11312 1.30644      0.709812  2.0943       0.713198  21.167      73.0543     5.35675     73.0544     
1 1 1 14 12 50 o 13.4156 4.26711 -0.241362    0.629996  0.577748     0.651865  2.57239     45.9922     0.128484    225.992     
1 1 1 14 12 51 o 11.1321 3.75129 -0.0562135   0.608098  -0.485963    0.593282  2.65361     102.64      4.2205      282.641     
1 1 1 14 12 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 13 0  o 32.5848 4.75584 2.18846      0.709239  2.18846      0.709239  11.7734     180         29.6739     8.65174e-06 
1 1 1 14 13 1  o 212.678 2.6507  84.3384      2.79798   82.2605      3.03807   249.749     60.0243     59.5057     60.0243     
1 1 1 14 13 2  o 142.649 2.51146 37.1527      1.85908   37.7833      1.85338   129.338     216.188     34.6561     36.1876     
1 1 1 14 13 3  o 132.568 2.43531 31.507       1.60254   33.2307      1.7415    158.085     174.222     45.8537     174.222     
1 1 1 14 13 4  o 57.7546 2.75723 5.18932      0.805047  7.24358      0.820219  64.4756     280.226     32.9809     280.226     
1 1 1 14 13 5  o 243.694 2.3665  114.007      3.00779   104.656      2.96843   278.189     174.929     51.9561     174.929     
1 1 1 14 13 6  o 93.82   2.4135  15.7188      1.17102   16.7361      1.17169   93.9703     116.344     0.0107785   296.347     
1 1 1 14 13 7  o 111.939 2.37517 22.1168      1.38366   24.0749      1.36692   127.185     103.822     28.5693     103.822     
1 1 1 14 13 8  o 50.2329 2.82287 4.75816      0.737056  4.6084       0.720966  30.4638     209.569     31.824      29.5686     
1 1 1 14 13 9  o 26.8012 3.97862 1.64913      0.545362  1.1323       0.526963  15.0797     67.8612     71.637      67.8612     
1 1 1 14 13 10 o 50.4725 2.84039 4.85626      0.742538  4.60702      0.731312  38.254      121.983     15.5724     301.983     
1 1 1 14 13 11 f 14.8537 3.95251 -0.31725     0.445048  0.645299     0.490089  41.6142     58.1515     0           0           
1 1 1 14 13 12 o 73.8378 2.78514 8.96308      1.05436   11.2956      1.0592    76.3832     105.159     8.26635     105.159     
1 1 1 14 13 13 o 66.9479 2.78492 7.51309      0.995818  9.14414      0.909982  70.1842     45.4869     10.6271     45.4869     
1 1 1 14 13 14 o 15.9612 3.81242 -0.395758    0.467824  0.864774     0.460245  12.2863     175.083     39.7601     175.083     
1 1 1 14 13 15 o 15.5239 4.15794 0.422291     0.471795  0.224768     0.45243   11.6563     124.396     39.4818     124.396     
1 1 1 14 13 16 o 37.3598 3.39942 2.77813      0.642298  2.50177      0.642115  1.76777     87.3024     75.8734     87.3024     
1 1 1 14 13 17 o 64.2446 2.94057 7.95677      0.928672  7.42889      1.01315   79.2841     163.747     32.9095     163.747     
1 1 1 14 13 18 o 54.6046 3.25602 5.41041      0.902029  5.78038      0.923834  39.0522     22.8563     29.5256     202.856     
1 1 1 14 13 19 o 43.5403 3.45368 4.07247      0.768085  3.13226      0.753358  30.3313     22.3627     23.1073     202.363     
1 1 1 14 13 20 o 38.4611 3.33782 2.92091      0.690146  2.69442      0.612781  30.3714     353.122     11.162      173.122     
1 1 1 14 13 21 o 38.1037 3.38103 2.49845      0.667543  3.03895      0.626284  25.2729     242.335     21.2695     62.3351     
1 1 1 14 13 22 o 72.0195 2.6929  9.8757       1.00888   9.49953      0.994539  75.3981     185.307     8.75833     185.307     
1 1 1 14 13 23 o 56.1644 2.93818 5.57334      0.851561  6.30655      0.843764  48.5005     273.803     12.6779     93.8028     
1 1 1 14 13 24 o 19.2923 4.23855 1.00597      0.494448  0.386235     0.487912  5.7431      268.474     17.0566     88.4741     
1 1 1 14 13 25 o 64.9272 2.66417 7.51612      0.894057  8.33076      0.889287  63.685      309.521     0.013592    129.534     
1 1 1 14 13 26 o 63.7581 2.70516 7.36536      0.889958  7.95753      0.888741  62.8017     270.516     0.681638    270.516     
1 1 1 14 13 27 o 48.0498 3.14561 4.91139      0.793421  3.95296      0.752004  58.6719     280.209     25.7924     280.209     
1 1 1 14 13 28 o 30.5721 4.93547 1.34038      0.753637  2.60398      0.804469  27.1518     83.7468     1.64067     263.747     
1 1 1 14 13 29 o 39.3274 4.30839 2.52055      0.836347  3.74415      0.836379  48.031      99.5115     22.8159     99.5115     
1 1 1 14 13 30 o 32.1701 4.32353 2.98798      0.703696  1.34455      0.675271  37.2793     32.2091     16.1187     32.2091     
1 1 1 14 13 31 o 20.9977 4.41342 0.429301     0.586447  1.29231      0.531395  15.2033     284.322     5.74672     104.322     
1 1 1 14 13 32 f 39.3247 3.55292 3.63693      0.728545  2.52888      0.674312  46.302      236.744     0           0           
1 1 1 14 13 33 o 27.2393 4.44037 1.56792      0.626126  1.55894      0.60216   30.4172     305.481     14.0768     305.481     
1 1 1 14 13 34 o 52.2546 3.08254 4.38327      0.80667   6.34936      0.825543  59.6294     177.593     20.3782     177.593     
1 1 1 14 13 35 o 22.0547 4.06026 1.99713      0.625546  -0.0337925   0.539392  19.8567     39.5254     13.2083     39.5254     
1 1 1 14 13 36 o 28.7272 4.51106 1.73381      0.687208  1.82672      0.621537  21.0989     314.92      9.90276     134.92      
1 1 1 14 13 37 o 21.0521 4.57731 0.617346     0.57195   1.29862      0.571778  13.4138     289.623     9.48421     109.623     
1 1 1 14 13 38 o 14.6428 4.20528 0.533328     0.522976  -0.0429624   0.516237  6.21163     248.415     10.2757     68.4149     
1 1 1 14 13 39 o 14.53   4.11079 0.688938     0.53239   -0.284298    0.50216   8.8313      355.71      2.72483     175.71      
1 1 1 14 13 40 o 26.8308 4.5566  1.4402       0.625412  1.89052      0.632433  30.6865     306.792     15.8379     306.792     
1 1 1 14 13 41 o 23.4067 4.85804 1.51055      0.654638  1.18301      0.604869  20.5361     66.3546     0.953819    66.3546     
1 1 1 14 13 42 o 15.2432 4.29005 0.800226     0.563119  -0.0726993   0.5295    10.2259     318.192     0.23972     318.192     
1 1 1 14 13 43 f 9.80199 3.34323 -0.56924     0.525586  -0.528458    0.490987  9.71288     252.939     0           0           
1 1 1 14 13 44 o 18.4759 5.02397 0.426552     0.640033  1.34694      0.756876  14.6657     155.914     3.57256     155.914     
1 1 1 14 13 45 o 26.3972 5.46039 1.39735      0.828703  2.7357       0.856494  22.9941     28.2512     1.58439     28.2512     
1 1 1 14 13 46 o 24.0631 4.87312 2.30825      0.710043  0.95884      0.679379  16.8752     23.2408     6.62765     203.241     
1 1 1 14 13 47 o 12.9839 4.13387 -0.607281    0.651984  0.514441     0.60872   3.25368     81.0362     1.35858     261.036     
1 1 1 14 13 48 o 22.8867 5.08002 2.05546      0.711193  1.07345      0.714748  17.4752     136.663     1.12752     316.663     
1 1 1 14 13 49 o 15.1046 4.56867 0.874637     0.674575  0.122169     0.633464  6.08258     145.918     9.02941     325.918     
1 1 1 14 13 50 o 16.2463 4.74745 0.637748     0.667819  0.873397     0.642298  9.73972     132.394     2.96358     132.394     
1 1 1 14 13 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 14 0  o 14.0394 5.06448 0.535312     0.463974  0.535312     0.463974  20.5002     360         50.3789     360         
1 1 1 14 14 1  o 50.4583 2.92742 4.69233      0.784233  4.77002      0.732126  49.116      207.602     21.3892     207.602     
1 1 1 14 14 2  o 82.3817 2.66107 11.8296      1.12158   13.2699      1.14341   85.0695     211.314     8.03685     211.314     
1 1 1 14 14 3  o 68.292  2.7682  8.07348      0.973432  9.2092       0.974944  53.4007     159.397     26.4767     339.397     
1 1 1 14 14 4  o 167.7   2.333   52.2718      2.02594   51.3115      2.03      190.474     190.021     38.0243     190.021     
1 1 1 14 14 5  o 85.5403 2.43983 13.2753      1.08045   13.7347      1.0785    97.5936     297.398     26.8814     297.398     
1 1 1 14 14 6  o 34.5903 3.48903 3.0282       0.603853  1.60442      0.572885  17.1459     170.101     17.0509     350.101     
1 1 1 14 14 7  f 40.3221 2.99442 3.10609      0.623158  2.96995      0.60991   20.8584     53.8731     0           0           
1 1 1 14 14 8  o 55.0722 2.72108 5.51712      0.780014  5.73679      0.763085  63.058      266.242     28.9864     266.242     
1 1 1 14 14 9  o 12.877  3.79185 0.213773     0.44504   -0.111208    0.406307  9.4739      331.24      24.2239     331.24      
1 1 1 14 14 10 o 11.3684 3.4983  -0.288522    0.406644  0.074567     0.384793  3.77088     155.38      9.23253     155.38      
1 1 1 14 14 11 o 44.5962 3.08039 3.2985       0.676428  4.1655       0.72671   48.3466     161.074     22.4437     161.074     
1 1 1 14 14 12 o 55.5174 3.02198 5.21724      0.865896  6.3          0.851981  57.0953     74.0355     7.57712     74.0355     
1 1 1 14 14 13 o 50.6505 3.0904  3.90194      0.81421   5.78106      0.749573  44.8432     335.743     8.26473     155.743     
1 1 1 14 14 14 o 41.799  3.12137 3.16823      0.661554  3.39691      0.670206  49.0008     292.385     24.1351     292.385     
1 1 1 14 14 15 f 50.3516 2.89459 4.47693      0.744442  5.00338      0.751967  49.5934     176.874     0           0           
1 1 1 14 14 16 o 113.747 2.50987 22.4457      1.47      25.5686      1.48204   120.517     279.758     11.7187     279.758     
1 1 1 14 14 17 o 100.324 2.48198 17.4122      1.30991   19.9738      1.25861   96.2264     63.8372     9.05766     243.837     
1 1 1 14 14 18 o 14.2501 3.95894 0.208096     0.443935  0.256779     0.412464  2.9917      336.39      16.512      336.39      
1 1 1 14 14 19 o 33.8664 3.70643 2.07506      0.603957  2.34517      0.655736  13.2128     172.932     37.0636     352.932     
1 1 1 14 14 20 f 37.0755 3.83786 2.46836      0.73695   2.84164      0.685754  41.3731     324.002     0           0           
1 1 1 14 14 21 o 45.7233 3.51944 3.8571       0.83129   4.12611      0.807911  42.9387     221.324     1.21328     41.3242     
1 1 1 14 14 22 o 59.7864 3.04747 6.63199      0.991581  6.86596      0.878021  70.168      319.861     24.5763     319.861     
1 1 1 14 14 23 o 33.5133 4.21796 1.50618      0.58779   3.07695      0.83253   30.6311     352.663     0.306749    352.663     
1 1 1 14 14 24 o 56.2255 2.93646 5.71459      0.808571  6.2662       0.891426  48.1587     46.3399     13.4225     226.34      
1 1 1 14 14 25 o 45.7134 3.17185 4.08669      0.786821  3.91899      0.695388  45.2335     7.11639     2.75416     7.11637     
1 1 1 14 14 26 o 56.7044 3.04202 5.82021      0.929823  6.46052      0.833779  51.3793     12.3608     7.56463     192.361     
1 1 1 14 14 27 o 78.3411 2.85798 10.9877      1.20606   12.3334      1.09351   74.5559     324.903     4.23203     144.903     
1 1 1 14 14 28 o 54.9962 2.97545 6.0981       0.883885  5.47419      0.800278  56.7928     63.8084     7.215       63.8084     
1 1 1 14 14 29 o 43.1794 3.46273 3.4715       0.764751  3.81209      0.75558   33.8813     54.5672     14.9869     234.567     
1 1 1 14 14 30 o 27.8866 4.50957 1.95321      0.657519  1.30883      0.626052  26.6102     356.064     3.06239     356.064     
1 1 1 14 14 31 o 70.8223 2.97212 9.1777       1.07053   10.1618      1.10096   60.3902     66.1103     15.7995     246.11      
1 1 1 14 14 32 o 45.0962 3.3891  4.00976      0.776208  4.01786      0.784007  53.634      336.318     22.7526     336.318     
1 1 1 14 14 33 o 15.8649 4.24113 0.771525     0.54175   -0.0725617   0.490368  9.38745     284.554     3.53254     104.554     
1 1 1 14 14 34 o 28.2359 4.16273 2.21966      0.610188  1.19196      0.576807  20.2384     318.878     10.8242     138.878     
1 1 1 14 14 35 o 23.1674 4.78457 1.19946      0.627768  1.16864      0.59309   14.8072     85.447      11.0698     265.447     
1 1 1 14 14 36 o 12.571  3.83623 -0.205552    0.468208  0.233081     0.467173  4.77671     113.353     3.58657     293.353     
1 1 1 14 14 37 o 26.3627 4.45111 1.21838      0.608934  1.88455      0.606113  25.8683     200.314     5.69564     200.314     
1 1 1 14 14 38 o 17.058  4.55942 0.623523     0.567792  0.541274     0.535906  6.82206     317.759     4.0518      317.759     
1 1 1 14 14 39 o 8.1134  2.82935 -0.9089      0.474537  -0.664591    0.373245  1.6878      150.781     12.1094     150.781     
1 1 1 14 14 40 o 29.337  4.50123 2.00037      0.668884  2.00625      0.660709  35.0378     140.371     19.8413     140.371     
1 1 1 14 14 41 o 18.6831 4.58532 0.365595     0.583811  1.22529      0.585599  15.4984     37.2276     2.30473     37.2276     
1 1 1 14 14 42 o 24.3954 5.00277 1.57776      0.673251  1.52718      0.665601  16.839      355.587     8.05103     175.587     
1 1 1 14 14 43 o 15.3698 4.16677 -0.340538    0.561195  0.988992     0.54332   9.47424     310.748     1.67039     310.748     
1 1 1 14 14 44 o 33.3475 4.37906 2.93429      0.742911  2.48754      0.714709  30.0867     5.49677     1.84861     5.49678     
1 1 1 14 14 45 o 12.3543 4.04961 -0.248103    0.559321  0.123237     0.666883  2.12229     241.094     0.514124    61.0937     
1 1 1 14 14 46 o 13.2565 4.34952 -0.456803    0.767065  0.311626     0.705571  1.48272     45.8263     0.288494    225.826     
1 1 1 14 14 47 o 11.6859 3.88357 -0.512837    0.597978  0.0789247    0.615774  1.81138     111.531     3.59688     291.531     
1 1 1 14 14 48 o 16.1072 4.57199 0.0969442    0.644401  1.11171      0.62663   6.91853     4.47058     2.33768     4.47058     
1 1 1 14 14 49 o 14.1968 4.40094 0.38299      0.625347  0.448181     0.615142  5.91293     260.663     7.35427     80.6629     
1 1 1 14 14 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 15 0  o 117.445 2.33856 25.4145      1.42114   25.4145      1.42114   101.317     1.23858e-06 38.774      180         
1 1 1 14 15 1  o 83.4262 2.44683 12.7053      1.05536   13.0177      1.05618   80.7978     321.395     4.67321     141.395     
1 1 1 14 15 2  o 157.557 2.41493 44.9772      2.03854   46.609       1.90061   187.961     257.733     55.4209     257.733     
1 1 1 14 15 3  o 110.405 2.54542 21.6801      1.44725   23.3865      1.46121   118.522     199.851     14.3281     199.851     
1 1 1 14 15 4  o 156.772 2.41007 45.2875      1.88443   45.398       2.03003   153.967     227.042     11.5031     47.0423     
1 1 1 14 15 5  o 80.0435 2.47829 11.8938      1.02744   11.8036      1.02412   93.192      67.5365     28.2293     67.5365     
1 1 1 14 15 6  o 98.9276 2.39166 17.5038      1.22272   18.6672      1.22568   112.609     203.033     26.6594     203.033     
1 1 1 14 15 7  o 18.6444 4.07711 0.864823     0.456643  0.416113     0.435116  7.96849     353.576     41.3322     353.576     
1 1 1 14 15 8  o 127.371 2.33805 30.2097      1.54723   29.7222      1.53748   133.485     183.651     8.75162     183.651     
1 1 1 14 15 9  o 92.6955 2.39203 15.4409      1.14862   16.3495      1.14542   82.4211     10.0115     22.0233     190.012     
1 1 1 14 15 10 o 41.4783 2.98335 3.75145      0.637658  2.73869      0.616544  35.6377     325.01      6.98457     145.01      
1 1 1 14 15 11 o 72.4297 2.50765 9.5961       0.941405  9.86264      0.935612  86.0805     24.616      29.0377     24.616      
1 1 1 14 15 12 o 69.9525 2.97561 7.83895      1.05873   10.51        1.07254   60.6711     53.4999     17.7914     233.5       
1 1 1 14 15 13 o 34.5749 3.74557 2.35903      0.663774  2.22264      0.636205  34.8234     124.747     19.4057     124.747     
1 1 1 14 15 14 o 20.7791 4.17618 0.943942     0.480491  0.731768     0.465077  1.97288     149.741     28.2607     329.741     
1 1 1 14 15 15 f 33.4397 3.49941 1.84162      0.603472  2.45697      0.553278  29.0987     345.305     0           0           
1 1 1 14 15 16 f 94.2299 2.39383 16.1569      1.16913   16.8139      1.16515   81.6414     228.476     0           0           
1 1 1 14 15 17 o 24.5508 3.99928 0.98327      0.50292   1.39641      0.499238  14.7483     72.4008     6.65485     252.401     
1 1 1 14 15 18 o 18.1244 4.42116 0.819291     0.488043  0.210369     0.588041  1.01886     294.565     23.0196     114.565     
1 1 1 14 15 19 o 20.4807 4.31687 0.886414     0.502835  0.752404     0.48376   9.20965     209.829     4.39342     29.8294     
1 1 1 14 15 20 o 15.3334 4.17099 0.512407     0.530304  0.132431     0.412547  5.05762     291.495     32.6363     291.495     
1 1 1 14 15 21 o 83.5877 2.89598 14.9928      1.41314   11.4543      1.0942    87.9379     327.53      11.0855     327.53      
1 1 1 14 15 22 o 24.3744 4.3136  0.593654     0.539628  1.84481      0.615807  17.4361     167.963     6.77912     347.963     
1 1 1 14 15 23 o 18.3579 4.29423 1.07563      0.543263  0.028868     0.52709   4.78847     36.6125     20.7764     216.612     
1 1 1 14 15 24 o 44.4955 3.31213 3.88763      0.806554  3.7502       0.695017  29.4386     178.31      27.0445     358.31      
1 1 1 14 15 25 o 39.7125 3.27503 3.37655      0.679173  2.74198      0.641019  22.7258     235.685     30.8821     55.6849     
1 1 1 14 15 26 o 70.308  2.73864 9.22206      1.01011   9.51869      0.977244  68.5225     186.06      0.133175    186.061     
1 1 1 14 15 27 o 43.1324 3.13106 3.15881      0.691454  4.04547      0.675553  47.2791     73.7363     12.6357     73.7363     
1 1 1 14 15 28 o 49.2958 3.22726 4.33459      0.823844  5.09912      0.798634  47.9299     315.208     1.52601     315.208     
1 1 1 14 15 29 o 14.5486 4.12914 0.227812     0.469277  0.284764     0.480742  4.37389     101.115     13.6373     281.115     
1 1 1 14 15 30 o 21.9884 4.40632 0.964075     0.532737  1.06664      0.518899  8.95983     173.825     21.5022     353.825     
1 1 1 14 15 31 o 20.2478 4.45076 1.30666      0.590192  0.380769     0.510759  17.1834     197.587     2.2211      197.587     
1 1 1 14 15 32 o 24.8368 4.83443 1.66352      0.659343  1.03632      0.648793  14.0828     141.933     16.3714     321.933     
1 1 1 14 15 33 o 31.3413 4.27228 2.65397      0.637991  1.54173      0.685909  26.4696     103.526     4.09821     283.526     
1 1 1 14 15 34 o 18.8378 4.35654 1.16335      0.54091   0.204057     0.544531  11.9469     137.056     7.33934     317.056     
1 1 1 14 15 35 o 14.1997 3.95585 -0.708529    0.534257  0.717425     0.507586  7.74386     229.089     0.37039     49.0892     
1 1 1 14 15 36 o 28.5071 4.36657 1.98388      0.633889  1.60478      0.620748  19.1811     216.022     13.1658     36.0221     
1 1 1 14 15 37 o 31.3152 4.13395 2.10421      0.665609  2.17714      0.626026  30.5393     110.542     4.91878     110.542     
1 1 1 14 15 38 o 47.587  3.2747  5.01179      0.811455  4.34904      0.781908  45.8699     283.537     4.17504     283.537     
1 1 1 14 15 39 o 37.4442 4.05709 2.20752      0.721742  4.11137      0.746961  39.2052     72.1345     11.0203     72.1345     
1 1 1 14 15 40 o 14.1113 4.17316 0.0472528    0.517476  0.481377     0.526382  6.11711     346.671     8.57907     166.671     
1 1 1 14 15 41 o 10.614  3.52683 -0.125444    0.507325  -0.504335    0.488156  1.01538     181.231     1.66771     1.2308      
1 1 1 14 15 42 o 12.5135 3.91732 0.395392     0.541196  -0.363853    0.504701  3.61543     29.1465     0.873053    209.146     
1 1 1 14 15 43 o 27.2128 4.82703 2.08835      0.678533  1.79084      0.684793  24.4288     44.0598     2.75571     44.0597     
1 1 1 14 15 44 o 11.3054 3.7269  -0.25298     0.55419   -0.0870007   0.519209  2.17134     9.81311     8.6284      189.813     
1 1 1 14 15 45 o 14.0833 4.2535  0.663818     0.57865   -0.0715115   0.570906  5.65659     141.191     1.37749     321.191     
1 1 1 14 15 46 o 9.83484 3.43733 -0.843291    0.553581  -0.8768      0.706562  0.0869234   98.6587     2.74001     278.659     
1 1 1 14 15 47 o 14.4714 4.48863 1.26871      0.800475  -0.770429    0.580411  6.57144     7.22168     4.34397     187.222     
1 1 1 14 15 48 o 15.2957 4.57814 0.370834     0.641394  0.798371     0.632597  7.83432     257.718     1.75137     257.718     
1 1 1 14 15 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 16 0  o 24.6423 4.32308 1.30959      0.477897  1.30959      0.477897  14.5532     1.71544e-05 1.83286     1.71544e-05 
1 1 1 14 16 1  o 106.782 2.35102 21.0137      1.29698   21.1566      1.3025    104.97      26.7425     5.42885     206.742     
1 1 1 14 16 2  o 85.8958 2.406   13.9719      1.07319   13.3465      1.06485   97.715      255.664     23.8609     255.664     
1 1 1 14 16 3  o 46.3391 2.89763 3.96537      0.715739  4.0634       0.659729  54.9538     294.816     24.5199     294.816     
1 1 1 14 16 4  o 24.4796 4.06453 1.51646      0.522793  0.839564     0.506731  8.44161     329.904     23.3728     149.904     
1 1 1 14 16 5  o 36.8693 3.18787 2.12842      0.5697    3.04445      0.613587  39.9806     323.413     23.3587     323.413     
1 1 1 14 16 6  o 46.8511 2.84745 4.7038       0.687369  3.54316      0.672519  48.2638     181.485     7.77622     181.485     
1 1 1 14 16 7  o 34.9718 3.11299 2.67424      0.558828  1.97353      0.536349  16.7314     11.1864     32.1744     191.186     
1 1 1 14 16 8  o 40.605  2.90976 2.88134      0.603039  3.31511      0.602076  8.93762     211.186     60.8886     31.1858     
1 1 1 14 16 9  o 53.8561 2.74272 5.81144      0.753007  5.02703      0.763809  49.2286     310.784     6.2113      130.784     
1 1 1 14 16 10 o 52.3002 2.75882 5.69137      0.743218  4.55864      0.735075  36.6222     76.1651     28.8974     256.165     
1 1 1 14 16 11 o 62.131  2.6383  7.34704      0.841715  7.04128      0.849336  71.1336     137.132     21.5322     137.132     
1 1 1 14 16 12 o 47.0918 4.24724 4.80646      0.728378  3.75213      1.1558    52.1481     72.6515     16.4295     72.6515     
1 1 1 14 16 13 o 14.4894 4.05233 0.468901     0.473532  -0.165275    0.485617  3.28347     157.226     19.1338     157.226     
1 1 1 14 16 14 o 36.7385 3.079   2.50017      0.587174  2.61799      0.56128   37.1663     283.874     9.08889     283.874     
1 1 1 14 16 15 o 57.4136 2.8151  6.17712      0.880702  6.18786      0.780965  52.1754     49.7336     7.37864     229.734     
1 1 1 14 16 16 o 19.6483 3.62546 -0.227006    0.527002  1.40591      0.444756  0.748558    205.303     30.5016     25.3027     
1 1 1 14 16 17 o 31.1955 3.69037 1.6122       0.582035  2.19458      0.557503  22.2995     145.074     12.0219     325.074     
1 1 1 14 16 18 o 50.4957 2.91442 4.53499      0.760867  5.1125       0.748192  44.3091     228.04      8.98676     48.0399     
1 1 1 14 16 19 o 78.7231 2.61149 11.9877      1.08008   11.2714      1.04534   85.2625     277.065     15.9286     277.065     
1 1 1 14 16 20 o 13.6541 3.77495 -0.098796    0.409556  0.443996     0.412729  1.63785     309.909     5.60199     129.909     
1 1 1 14 16 21 o 38.1864 3.15525 3.2235       0.620081  2.41109      0.596508  38.874      302.896     6.07327     302.896     
1 1 1 14 16 22 o 18.3571 4.17121 0.826281     0.463367  0.467053     0.454009  11.835      322.574     1.33587     142.574     
1 1 1 14 16 23 o 21.4594 4.21198 1.292        0.524798  0.577573     0.482336  10.8685     105.693     16.1615     285.693     
1 1 1 14 16 24 o 41.9925 3.42297 2.82814      0.684217  4.08298      0.771019  48.7252     303.189     18.1005     303.189     
1 1 1 14 16 25 o 45.0634 3.47347 3.04321      0.767943  4.97979      0.785161  42.1445     349.941     1.8206      169.941     
1 1 1 14 16 26 o 90.1721 2.63992 16.0865      1.29745   14.7684      1.16539   100.996     27.2567     27.262      27.2567     
1 1 1 14 16 27 o 21.3041 4.22196 0.65596      0.50787   1.20488      0.492194  3.76354     81.9754     31.1133     261.975     
1 1 1 14 16 28 o 32.6675 4.1763  1.64241      0.673607  2.80454      0.670349  23.9156     356.698     12.9028     176.698     
1 1 1 14 16 29 f 39.1205 3.42685 2.95384      0.662508  3.11709      0.697737  34.5844     35.6174     0           0           
1 1 1 14 16 30 o 17.2776 4.37702 0.674553     0.508216  0.451382     0.492544  11.8437     307.327     3.28852     307.327     
1 1 1 14 16 31 o 22.7199 4.51637 1.29111      0.570343  0.937666     0.545265  18.1506     37.5149     2.56351     217.515     
1 1 1 14 16 32 o 25.3882 3.96936 0.172601     0.63036   2.53855      0.590454  21.684      128.988     1.31034     308.988     
1 1 1 14 16 33 o 33.7008 4.22493 2.73515      0.706813  2.10995      0.708774  35.8662     41.9099     11.0182     41.9099     
1 1 1 14 16 34 o 25.8012 4.93495 1.34279      0.654054  1.72196      0.702084  23.0535     298.129     1.1262      298.129     
1 1 1 14 16 35 o 14.481  4.21724 0.546477     0.547245  -0.110262    0.519017  6.57786     315.186     9.05731     135.186     
1 1 1 14 16 36 o 21.9981 4.49937 0.746478     0.570093  1.47489      0.563334  20.1376     81.437      3.3991      81.437      
1 1 1 14 16 37 o 16.0005 4.38984 0.614703     0.526659  0.381535     0.521812  11.256      320.324     1.79329     140.324     
1 1 1 14 16 38 o 45.0962 3.46925 4.35352      0.804286  4.26778      0.791557  43.4185     102.618     4.78185     102.618     
1 1 1 14 16 39 o 15.3515 4.36019 0.608486     0.542174  0.274709     0.530959  8.7894      162.655     4.69773     342.655     
1 1 1 14 16 40 o 22.6535 4.7704  1.7831       0.643443  0.863294     0.626102  18.7073     162.966     0.231336    162.966     
1 1 1 14 16 41 o 17.7076 4.81251 1.03437      0.693316  0.573125     0.550129  13.514      152.102     3.48169     152.102     
1 1 1 14 16 42 o 12.5302 3.99513 0.126073     0.552531  -0.0285249   0.546567  5.00931     225.284     3.95736     45.2835     
1 1 1 14 16 43 o 16.123  4.54011 0.34117      0.577164  0.891456     0.593744  10.2104     223.446     0.371148    43.4457     
1 1 1 14 16 44 o 20.8792 4.81408 0.780836     0.638582  1.67629      0.638609  17.5124     144.117     5.21279     144.117     
1 1 1 14 16 45 o 16.9241 4.59237 0.179373     0.625287  1.2046       0.616894  8.94248     30.8986     2.74893     30.8986     
1 1 1 14 16 46 o 10.5209 3.58241 -0.765608    0.611342  -0.201399    0.563844  1.01273     238.988     3.25914     58.9881     
1 1 1 14 16 47 o 14.8111 4.61161 0.526216     0.615412  0.44981      0.775712  7.80416     221.666     2.86952     41.6659     
1 1 1 14 16 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 17 0  o 44.863  2.82798 3.80217      0.645067  3.80217      0.645067  38.6308     4.77268e-06 13.4334     180         
1 1 1 14 17 1  o 125.485 2.33768 29.9328      1.52448   28.4199      1.5135    123.416     354.743     4.97716     174.743     
1 1 1 14 17 2  o 59.1136 2.51705 6.72398      0.76749   6.28524      0.767213  56.2586     178.056     2.81381     358.056     
1 1 1 14 17 3  o 52.5367 2.62938 4.89067      0.710266  5.41414      0.711091  44.6149     186.633     12.6301     6.6333      
1 1 1 14 17 4  o 49.5039 2.90853 4.68555      0.746624  4.50347      0.732597  49.3701     92.9535     4.26736     92.9535     
1 1 1 14 17 5  o 18.3389 4.55215 0.619995     0.439255  0.492628     0.651318  2.87625     259.773     8.65571     79.7725     
1 1 1 14 17 6  o 34.8236 4.0202  2.75074      0.561735  1.96375      0.777111  9.76329     5.14462     46.1579     185.145     
1 1 1 14 17 7  o 91.2372 2.50586 15.5293      1.18207   15.4197      1.18362   94.9785     76.374      8.81971     76.374      
1 1 1 14 17 8  o 23.7913 4.04649 1.25006      0.526296  0.985799     0.461134  13.1093     20.5891     7.6511      200.589     
1 1 1 14 17 9  o 16.8813 4.2135  0.308704     0.559978  0.58187      0.392112  0.407428    162.15      20.4629     162.15      
1 1 1 14 17 10 o 67.0974 2.76627 8.3261       1.01495   8.51921      0.89513   59.01       154.167     13.706      334.167     
1 1 1 14 17 11 o 27.8072 3.47849 1.22984      0.479631  1.78747      0.479207  22.509      231.209     0.19597     231.208     
1 1 1 14 17 12 o 23.8006 3.85118 1.63753      0.479083  0.625551     0.487479  14.471      151.493     8.12511     331.493     
1 1 1 14 17 13 o 84.3308 2.65033 14.3223      1.17019   12.3185      1.1382    89.9112     316.117     13.6648     316.117     
1 1 1 14 17 14 o 26.6141 3.80595 1.90017      0.565597  0.958146     0.456347  17.7137     46.352      10.7934     226.352     
1 1 1 14 17 15 o 77.6557 2.55558 11.3616      1.03016   11.2229      1.02163   88.0166     261.606     23.8488     261.606     
1 1 1 14 17 16 o 26.6705 3.82733 1.49791      0.525434  1.32033      0.496933  22.0402     206.112     1.96648     26.1117     
1 1 1 14 17 17 o 40.1879 3.12685 2.73486      0.645132  3.4669       0.623459  41.8294     205.982     8.12638     205.982     
1 1 1 14 17 18 o 14.6835 3.91119 0.264939     0.420987  0.376469     0.393384  1.74673     106.235     26.219      106.235     
1 1 1 14 17 19 o 29.0314 3.65621 1.44468      0.525432  1.89816      0.53084   20.6752     359.972     12.1184     179.972     
1 1 1 14 17 20 f 27.685  3.7848  1.00049      0.518506  2.12964      0.522135  22.1282     263.098     0           0           
1 1 1 14 17 21 o 13.5163 3.71595 0.484493     0.427473  -0.0931909   0.36323   1.57518     204.504     16.9507     24.5038     
1 1 1 14 17 22 o 30.3475 3.702   1.97241      0.577185  1.68796      0.545291  29.8999     204.814     4.07661     204.814     
1 1 1 14 17 23 o 46.675  3.01355 4.05445      0.736433  4.3151       0.70325   51.9347     240.192     15.125      240.192     
1 1 1 14 17 24 o 33.3778 3.39858 2.2359       0.579918  2.1461       0.562298  37.6409     108.426     14.1906     108.426     
1 1 1 14 17 25 f 68.3737 2.59461 8.64477      0.919239  9.13461      0.91238   54.5893     247.183     0           0           
1 1 1 14 17 26 o 41.8962 3.32845 3.60757      0.678216  3.29354      0.735468  46.0636     351.235     13.7902     351.235     
1 1 1 14 17 27 o 32.873  4.25196 2.03257      0.697744  2.45212      0.69533   18.8544     217.773     23.4651     37.7735     
1 1 1 14 17 28 o 48.5795 3.57925 4.74024      0.965126  4.67209      0.800676  46.6252     160.392     1.87419     160.392     
1 1 1 14 17 29 o 37.6575 3.62445 2.09724      0.633373  3.7334       0.716384  32.3927     237.638     4.9846      57.6378     
1 1 1 14 17 30 o 45.9723 3.22829 3.96049      0.754023  4.42         0.762507  43.1488     214.809     0.545936    214.808     
1 1 1 14 17 31 o 50.3155 3.10899 5.24731      0.822733  4.77558      0.782748  45.6006     182.789     2.78161     2.78928     
1 1 1 14 17 32 o 11.1533 3.55782 -0.0120591   0.455374  -0.261313    0.419149  0.845139    6.89549     17.9461     6.8955      
1 1 1 14 17 33 o 15.6901 3.9758  0.938179     0.505304  -0.237609    0.458359  8.67923     322.78      7.40802     142.78      
1 1 1 14 17 34 o 12.7891 3.96525 0.348797     0.569739  -0.354244    0.459473  3.33066     163.537     12.613      343.537     
1 1 1 14 17 35 o 26.0164 4.72325 1.33585      0.648435  1.86614      0.645968  27.5421     332.142     10.8029     332.142     
1 1 1 14 17 36 o 16.9264 4.26773 1.08185      0.549235  0.0193606    0.511978  14.0539     9.62416     4.87804     9.62416     
1 1 1 14 17 37 o 12.4593 3.87517 0.140911     0.502503  -0.0119303   0.466313  5.20851     20.6373     2.1286      200.637     
1 1 1 14 17 38 f 31.7049 4.45382 2.81314      0.697029  1.98385      0.711912  21.2475     336.792     0           0           
1 1 1 14 17 39 o 10.7216 3.50156 -0.770942    0.480698  0.140373     0.481271  0.38888     62.6151     0.477632    242.615     
1 1 1 14 17 40 o 17.4313 4.49228 1.15308      0.582282  0.285955     0.546891  12.1892     314.23      1.58028     134.23      
1 1 1 14 17 41 o 17.0569 4.59193 0.906666     0.577076  0.552518     0.560717  10.8485     50.8937     3.92985     230.894     
1 1 1 14 17 42 o 11.6219 3.75714 0.209794     0.527198  -0.386353    0.507571  2.40786     320.011     7.82214     140.011     
1 1 1 14 17 43 o 16.141  4.44388 1.11307      0.604565  0.073125     0.559849  7.18645     128.412     1.72528     128.412     
1 1 1 14 17 44 o 10.4448 3.507   -0.160402    0.521008  -0.466862    0.509301  0.238402    303.874     0.964359    123.874     
1 1 1 14 17 45 o 14.7362 4.51501 0.457131     0.6869    0.479941     0.590423  6.16894     158.158     0.56585     158.158     
1 1 1 14 17 46 o 12.7894 4.04153 0.640908     0.593926  -0.675428    0.611111  4.571       109.965     6.56782     289.965     
1 1 1 14 17 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 18 0  o 3.60038 1.86955 -0.645259    0.23445   -0.645259    0.23445   19.1857     8.65198e-06 39.6591     8.65199e-06 
1 1 1 14 18 1  f 51.54   2.88763 4.48717      0.76668   5.5257       0.754965  59.7663     13.0823     0           0           
1 1 1 14 18 2  o 54.8725 4.09442 5.52723      1.36114   6.05211      0.805797  44.6713     82.3306     16.9776     262.331     
1 1 1 14 18 3  o 45.7726 3.96864 3.86432      1.07499   4.20533      0.689169  32.2694     339.174     23.1582     159.174     
1 1 1 14 18 4  o 78.37   2.69942 10.9419      1.1338    12.0336      1.04419   72.2697     219.99      9.82932     39.99       
1 1 1 14 18 5  o 22.7601 3.97912 1.25028      0.475594  0.803701     0.468342  8.36102     161.833     20.7926     341.833     
1 1 1 14 18 6  o 50.1275 3.01671 5.27628      0.738319  4.2372       0.797216  59.7218     193.99      25.0599     193.99      
1 1 1 14 18 7  o 28.9563 3.5874  2.21987      0.514369  1.11951      0.502568  13.8428     193.571     24.8911     13.5706     
1 1 1 14 18 8  o 40.2642 2.94051 4.08729      0.604879  2.19718      0.564889  37.2411     225.508     0.922225    45.5083     
1 1 1 14 18 9  o 26.1875 3.50063 1.58142      0.464364  1.11366      0.449194  13.1052     16.7212     20.296      196.721     
1 1 1 14 18 10 o 74.1019 2.49169 10.0778      0.97845   10.4629      0.928233  92.4314     121.945     40.543      121.945     
1 1 1 14 18 11 o 58.0825 2.63352 6.19483      0.809916  6.48297      0.765299  59.0957     65.3757     5.66505     65.3756     
1 1 1 14 18 12 o 15.4739 3.78663 0.583393     0.382025  0.226528     0.381443  2.6098      94.9977     2.52356     274.998     
1 1 1 14 18 13 o 21.1082 4.10961 0.601605     0.496817  1.15807      0.4641    14.3255     20.9178     3.91438     200.918     
1 1 1 14 18 14 o 23.8942 3.91246 1.41971      0.519719  0.890471     0.437059  21.795      249.034     8.23998     249.034     
1 1 1 14 18 15 o 26.955  3.53049 1.43492      0.485864  1.42795      0.464264  17.6164     342.593     13.7999     162.593     
1 1 1 14 18 16 o 50.29   2.79436 5.34202      0.741576  4.29005      0.700488  58.9394     243.323     21.8997     243.323     
1 1 1 14 18 17 o 17.7391 3.88597 0.366323     0.416872  0.829617     0.404908  11.2123     254.618     1.60979     254.618     
1 1 1 14 18 18 o 24.3223 3.73663 0.867422     0.466914  1.52404      0.455895  21.6715     294.229     0.820312    294.229     
1 1 1 14 18 19 o 33.177  3.28498 1.72791      0.541041  2.59824      0.535058  24.3545     86.2571     13.8018     266.257     
1 1 1 14 18 20 o 39.5458 3.02756 3.2557       0.618373  2.77576      0.600819  45.5194     203.381     16.9906     203.381     
1 1 1 14 18 21 o 55.3657 2.70872 5.71237      0.780013  5.95799      0.764392  57.4624     230.297     8.92188     230.297     
1 1 1 14 18 22 o 19.1916 4.08562 0.91303      0.458092  0.575443     0.432391  13.4671     117.083     4.70015     297.083     
1 1 1 14 18 23 o 9.90008 3.17418 -0.133955    0.369957  -0.193758    0.332952  0.0282709   244.552     7.41885     244.553     
1 1 1 14 18 24 o 11.4783 3.36429 -0.465053    0.385388  0.325921     0.35876   0.866916    354.533     12.898      174.533     
1 1 1 14 18 25 o 45.2779 2.99682 4.43982      0.700878  3.55358      0.683435  40.2486     108.342     4.7317      288.342     
1 1 1 14 18 26 o 58.8692 2.78225 5.82787      0.835803  7.59315      0.840066  59.3083     295.776     7.33506     295.776     
1 1 1 14 18 27 o 25.9965 4.20199 1.34512      0.583875  1.50855      0.525202  25.0577     125.035     5.08593     125.035     
1 1 1 14 18 28 o 33.173  4.68679 2.71618      0.676118  2.04014      0.86221   27.4607     356.1       5.45584     176.1       
1 1 1 14 18 29 o 21.3979 5.02723 0.75126      0.657657  1.25123      0.668963  16.9287     121.459     1.6557      301.459     
1 1 1 14 18 30 o 35.147  4.28838 2.1866       0.783919  3.12756      0.68795   27.6729     19.1101     8.91334     199.11      
1 1 1 14 18 31 o 33.8815 3.78758 1.97045      0.628274  2.87487      0.641714  34.2053     79.9292     7.26026     79.9292     
1 1 1 14 18 32 f 16.6527 4.33256 0.53372      0.504888  0.580656     0.479689  11.2993     274.027     0           0           
1 1 1 14 18 33 o 42.4089 3.43435 3.21441      0.727717  4.28569      0.739425  37.1617     66.9908     3.29283     246.991     
1 1 1 14 18 34 o 15.0847 4.26495 0.76506      0.565048  -0.140415    0.523174  7.8672      287.731     7.94561     107.731     
1 1 1 14 18 35 o 12.4035 3.86424 -0.0526408   0.510803  0.1295       0.462931  3.22389     351.506     11.5228     171.506     
1 1 1 14 18 36 o 6.28946 2.24558 -1.00531     0.371628  -0.939014    0.303682  1.77521     273.484     5.81162     273.484     
1 1 1 14 18 37 o 11.5517 3.6943  0.227791     0.501698  -0.51796     0.485075  1.91654     347.371     1.38825     167.371     
1 1 1 14 18 38 o 10.8964 3.58026 -0.0717806   0.502978  -0.324789    0.472416  1.73838     125.025     2.14646     305.025     
1 1 1 14 18 39 o 28.6969 4.63209 2.6697       0.70271   1.5629       0.668186  31.1219     208.966     14.6698     208.966     
1 1 1 14 18 40 o 14.8246 4.34559 0.478988     0.552763  0.426522     0.541373  8.20742     12.8433     0.321796    192.843     
1 1 1 14 18 41 o 15.647  4.31307 1.02756      0.570312  -0.0516605   0.553339  8.82666     154.365     0.991921    334.365     
1 1 1 14 18 42 o 13.9121 4.26571 0.192995     0.567317  0.438733     0.575815  4.97856     87.4004     5.67146     267.4       
1 1 1 14 18 43 o 8.66437 3.0021  -0.490023    0.456761  -0.795144    0.456973  0.730519    283.04      5.53222     283.04      
1 1 1 14 18 44 f 8.97624 3.10763 -0.0532992   0.501556  -1.51379     0.456761  5.18366     195.612     0           0           
1 1 1 14 18 45 o 13.8218 4.38992 0.209923     0.65353   0.3909       0.659068  5.53232     80.2588     7.50178     260.259     
1 1 1 14 18 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 19 0  o 7.47213 3.43911 -0.020105    0.321668  -0.020105    0.321668  5.4449      180         13.9101     180         
1 1 1 14 19 1  o 13.707  3.33933 0.652336     0.359441  -0.270548    0.339307  0.403018    145.395     15.9537     145.395     
1 1 1 14 19 2  o 21.1448 3.96683 0.68006      0.444486  1.09949      0.452915  13.5465     317.237     4.09225     137.237     
1 1 1 14 19 3  o 70.348  2.73084 8.60752      0.981516  10.0304      0.99908   82.8609     306.382     28.9959     306.382     
1 1 1 14 19 4  o 42.6726 2.98787 3.48629      0.665478  3.43664      0.638855  52.8949     280.694     27.1595     280.694     
1 1 1 14 19 5  o 15.8706 3.72718 0.0199586    0.397357  0.77228      0.40393   1.16768     47.4119     0.608899    227.412     
1 1 1 14 19 6  o 46.7291 3.34856 4.20097      0.756798  4.17093      0.839722  55.822      227.661     23.6483     227.661     
1 1 1 14 19 7  o 25.2782 3.90214 1.55576      0.466225  0.99748      0.532304  20.4274     109.799     2.32902     289.799     
1 1 1 14 19 8  o 10.1958 3.06253 0.0275443    0.289285  0.00937718   0.274895  1.67121     198.452     8.19118     198.452     
1 1 1 14 19 9  o 71.1958 2.64057 9.89816      0.941227  9.1961       0.996716  85.8437     34.517      33.569      34.517      
1 1 1 14 19 10 f 54.5247 2.70038 5.40079      0.760753  5.84226      0.754739  51.8865     229.663     0           0           
1 1 1 14 19 11 o 85.2852 2.62107 12.8731      1.19769   14.5521      1.10207   80.9454     332.455     4.6742      152.455     
1 1 1 14 19 12 o 69.6562 3.05846 8.33256      1.14188   10.2042      1.02967   55.2412     296.707     25.0589     116.706     
1 1 1 14 19 13 o 23.111  3.98293 1.1455       0.506783  1.0144       0.43899   19.9519     35.2609     0.950989    35.261      
1 1 1 14 19 14 o 38.52   2.94258 3.20272      0.602596  2.50443      0.551742  36.5177     200.13      0.301595    200.13      
1 1 1 14 19 15 o 13.2055 3.45847 0.424047     0.347405  0.101218     0.297042  1.39734     66.5872     17.1965     246.587     
1 1 1 14 19 16 o 25.8889 3.46334 1.69366      0.457069  0.998218     0.434625  21.5287     171.734     3.72593     351.734     
1 1 1 14 19 17 o 34.0994 3.00146 2.59929      0.525621  1.91551      0.504157  35.6778     121.498     8.20234     121.498     
1 1 1 14 19 18 o 43.8606 2.81728 3.64111      0.637189  3.72464      0.629684  24.9426     213.898     33.8664     33.8978     
1 1 1 14 19 19 o 15.3727 3.75621 0.608314     0.390241  0.237543     0.358081  8.87651     342.481     1.7998      162.481     
1 1 1 14 19 20 o 32.7191 3.23684 2.04463      0.530749  2.15991      0.536998  31.4182     260.556     2.63382     260.556     
1 1 1 14 19 21 o 59.5942 2.60436 6.55457      0.801242  7.00241      0.799095  72.5328     20.6358     32.2042     20.6358     
1 1 1 14 19 22 o 33.1897 3.23407 2.18997      0.54935   2.15612      0.533855  41.2234     323.048     23.5842     323.048     
1 1 1 14 19 23 o 18.3127 4.03058 0.421913     0.44581   0.912902     0.436112  9.81225     237.632     10.8591     57.6324     
1 1 1 14 19 24 o 17.845  4.17654 0.583371     0.462225  0.69468      0.44041   10.2843     323.387     4.97369     323.387     
1 1 1 14 19 25 o 48.1264 2.89977 4.25624      0.716457  4.77216      0.714162  48.5512     222.821     7.36607     222.821     
1 1 1 14 19 26 f 17.2639 4.12758 0.703089     0.452637  0.490565     0.430242  13.8185     249.124     0           0           
1 1 1 14 19 27 o 19.1846 4.16754 0.306329     0.522433  1.15819      0.481835  15.7611     30.25       1.37056     30.25       
1 1 1 14 19 28 o 46.1111 3.6053  5.56952      0.847378  3.25103      0.798158  45.6997     199.643     6.29994     199.643     
1 1 1 14 19 29 o 20.9969 4.40885 1.1993       0.538145  0.759965     0.506047  20.9813     205.989     10.178      205.989     
1 1 1 14 19 30 o 41.0906 3.54139 3.49364      0.697718  3.50212      0.776029  42.1739     130.48      9.44425     130.48      
1 1 1 14 19 31 o 12.7561 3.96625 0.464967     0.584192  -0.837306    0.525864  6.15975     116.916     3.65074     296.916     
1 1 1 14 19 32 o 14.4373 4.00254 -0.126225    0.502479  0.645795     0.460239  8.89249     84.7553     3.28025     264.755     
1 1 1 14 19 33 o 16.841  4.44753 0.372436     0.516409  0.829736     0.549167  9.41047     3.0672      8.18992     183.067     
1 1 1 14 19 34 o 14.9016 4.30545 0.6566       0.575233  0.0724131    0.504094  7.10139     338.292     2.15822     338.292     
1 1 1 14 19 35 o 18.2461 4.30528 1.30075      0.562019  0.232046     0.495609  14.4119     282.806     2.53312     282.806     
1 1 1 14 19 36 o 20.1171 4.76389 1.03689      0.60385   1.05417      0.566882  16.2463     339.512     1.32879     339.512     
1 1 1 14 19 37 o 11.8987 3.65013 -0.736726    0.492146  0.463898     0.464439  4.01439     1.43557     4.11012     181.436     
1 1 1 14 19 38 o 14.1878 4.22038 0.0334346    0.518101  0.622554     0.564332  7.57226     351.2       1.87129     171.2       
1 1 1 14 19 39 o 10.2411 3.35743 -0.949418    0.451888  0.202987     0.462851  0.597922    139.06      8.36824     319.06      
1 1 1 14 19 40 o 15.386  4.32528 0.121935     0.550829  0.877785     0.549481  6.24002     296.23      0.814211    296.23      
1 1 1 14 19 41 f 11.3657 3.70434 -0.184836    0.491414  0.0274369    0.521265  2.29489     114.93      0           0           
1 1 1 14 19 42 o 8.92057 3.07737 -0.538255    0.472403  -0.600285    0.454966  2.6632      125.981     14.4666     125.981     
1 1 1 14 19 43 o 15.363  4.55831 0.470303     0.595488  0.730721     0.632613  6.32973     164.305     2.02776     164.305     
1 1 1 14 19 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 20 0  o 37.2599 3.18512 2.69946      0.591308  2.69946      0.591308  40.7743     180         8.34756     180         
1 1 1 14 20 1  o 45.1572 2.95761 4.77491      0.666842  3.09382      0.671014  47.2501     277.774     8.80173     277.774     
1 1 1 14 20 2  o 45.7823 2.87569 3.13012      0.644803  4.95273      0.683474  50.7062     3.05054     14.673      3.05054     
1 1 1 14 20 3  o 21.4775 3.58484 1.40357      0.42324   0.465278     0.407084  10.6287     154.24      6.53533     154.24      
1 1 1 14 20 4  o 11.7568 3.339   0.116929     0.323936  0.159425     0.298469  1.41022     26.5401     17.2876     26.5402     
1 1 1 14 20 5  o 19.205  3.77509 0.949973     0.409937  0.522353     0.38577   8.61016     58.1087     4.18473     58.1087     
1 1 1 14 20 6  o 56.874  2.89208 6.18921      0.858913  6.11473      0.83487   60.3454     258.213     11.3679     258.213     
1 1 1 14 20 7  o 46.1325 2.82935 4.10618      0.653097  3.99662      0.685561  48.3454     22.9597     8.93937     22.9597     
1 1 1 14 20 8  o 29.1959 3.49241 1.96446      0.464384  1.4048       0.534373  33.1495     71.0987     15.1326     71.0987     
1 1 1 14 20 9  o 47.0563 2.78525 4.5539       0.605829  3.8794       0.719645  40.0066     321.735     10.0877     141.735     
1 1 1 14 20 10 o 58.4608 3.07022 6.24869      0.811637  6.83402      1.02963   56.7035     13.1618     0.90673     13.1617     
1 1 1 14 20 11 f 51.4463 3.16762 4.69203      0.726178  5.50269      0.94431   45.7914     327.794     0           0           
1 1 1 14 20 12 o 16.2203 4.17721 0.882763     0.540064  -0.353034    0.528449  4.48113     302.905     1.57895     302.905     
1 1 1 14 20 13 o 37.1394 5.09583 4.32706      0.957006  1.66407      0.932994  41.0484     311.57      13.8128     311.57      
1 1 1 14 20 14 o 31.2214 5.09509 2.44733      0.896596  1.71748      0.724481  25.8573     240.299     5.4941      60.2991     
1 1 1 14 20 15 o 28.1344 4.56369 0.951009     0.646739  2.43479      0.707206  26.7684     294.799     3.37308     294.799     
1 1 1 14 20 16 o 36.2674 5.12995 3.24293      0.846716  2.36403      1.00131   34.4453     274.479     1.99903     274.479     
1 1 1 14 20 17 o 45.2524 3.84861 2.94702      0.691407  5.44356      1.09327   36.4704     12.1252     12.4548     192.125     
1 1 1 14 20 18 o 20.206  3.67028 1.13405      0.362079  0.487731     0.46321   10.9785     124.57      13.0792     304.57      
1 1 1 14 20 19 f 49.6257 3.17117 5.81316      0.674655  3.87236      0.849439  37.1417     99.0546     0           0           
1 1 1 14 20 20 o 25.2603 3.50783 1.36064      0.449643  1.22257      0.436257  18.8491     159.995     7.30134     339.995     
1 1 1 14 20 21 o 17.5603 3.80261 0.663804     0.381007  0.589507     0.376992  6.7458      205.951     15.9869     25.951      
1 1 1 14 20 22 o 28.2867 3.57804 1.49641      0.497019  1.76094      0.513088  18.5057     147.716     14.2302     327.716     
1 1 1 14 20 23 o 19.4994 4.05834 0.762343     0.441735  0.83166      0.434423  11.5187     62.154      9.76613     242.154     
1 1 1 14 20 24 o 24.1188 3.70048 2.05339      0.497886  0.465611     0.474525  26.7732     248.211     17.1765     248.211     
1 1 1 14 20 25 o 23.0002 4.11658 0.94513      0.491962  1.33525      0.498757  20.1666     1.09813     1.23373     1.09813     
1 1 1 14 20 26 o 10.7834 3.24371 0.323974     0.380929  -0.487045    0.319467  1.41123     1.6096      10.8225     181.61      
1 1 1 14 20 27 o 23.5059 4.20225 0.673466     0.568573  1.76301      0.533177  10.0925     43.4899     21.5735     223.49      
1 1 1 14 20 28 o 25.4278 4.46889 1.41697      0.600955  1.50302      0.572942  24.7571     292.711     5.88856     292.711     
1 1 1 14 20 29 o 13.7925 3.92088 -0.0458842   0.488462  0.478561     0.423589  8.25913     181.229     0.884212    1.22894     
1 1 1 14 20 30 o 14.4153 4.15219 0.56498      0.550695  0.078858     0.436584  9.4388      211.236     1.43761     211.236     
1 1 1 14 20 31 f 16.3416 4.47501 0.527017     0.60783   0.556807     0.480267  14.2283     159.04      0           0           
1 1 1 14 20 32 o 14.2671 4.30828 0.0329475    0.553006  0.447682     0.587461  5.87333     155.287     9.19773     335.287     
1 1 1 14 20 33 o 24.5679 5.72671 1.93904      0.883036  1.53799      0.81167   17.946      210.286     5.2059      30.286      
1 1 1 14 20 34 o 11.5836 3.67962 -0.414555    0.532143  0.182731     0.439522  1.45729     24.5593     0.840863    204.559     
1 1 1 14 20 35 o 12.8636 3.98884 0.442959     0.561792  -0.229861    0.480349  5.3045      241.639     4.07731     61.6385     
1 1 1 14 20 36 o 11.0217 3.37634 -1.49201     0.461655  0.511567     0.444772  2.67113     27.2206     2.73689     207.221     
1 1 1 14 20 37 o 10.4569 3.49186 -0.333637    0.545163  -0.224327    0.447342  0.435035    47.5383     0.921902    227.538     
1 1 1 14 20 38 o 12.201  3.90702 -0.308884    0.605943  0.229495     0.500673  2.13603     103.107     10.1011     283.107     
1 1 1 14 20 39 o 12.1102 3.93624 -0.153328    0.588547  0.073663     0.550539  2.40184     196.757     4.51178     16.7565     
1 1 1 14 20 40 o 11.4768 3.76423 -0.3189      0.554269  0.0687485    0.529279  2.08933     18.795      5.45749     198.795     
1 1 1 14 20 41 o 12.3502 3.97723 0.0626628    0.601354  0.0990168    0.520937  3.02189     131.246     1.52728     311.246     
1 1 1 14 20 42 o 13.1533 4.15746 0.266596     0.605688  0.192643     0.55349   5.60563     18.011      3.80821     198.011     
1 1 1 14 20 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 21 0  o 8.86432 3.80708 0.14476      0.325789  0.14476      0.325789  1.99369     180         11.9779     180         
1 1 1 14 21 1  o 33.6195 3.07964 2.13965      0.523121  2.23266      0.524856  16.328      15.6619     30.8055     195.662     
1 1 1 14 21 2  o 30.2489 3.28402 2.23131      0.497018  1.3908       0.482078  31.4982     261.053     8.1627      261.053     
1 1 1 14 21 3  o 12.6162 3.27059 -0.0546066   0.311253  0.440441     0.302866  3.66094     169.266     7.70358     349.266     
1 1 1 14 21 4  o 18.6019 3.72435 0.627307     0.377786  0.755116     0.374998  5.51212     18.2409     21.5078     198.241     
1 1 1 14 21 5  o 33.7753 3.15773 1.73034      0.487358  2.75649      0.586015  38.8074     86.7464     16.0411     86.7464     
1 1 1 14 21 6  o 39.5141 3.70143 2.30321      0.677667  3.95813      0.778718  40.716      260.291     7.59341     260.291     
1 1 1 14 21 7  o 21.9743 5.10905 0.717798     0.66482   1.23951      0.702858  7.8053      210.912     23.5633     30.9124     
1 1 1 14 21 8  o 24.8159 4.80862 1.66326      0.645426  0.910633     0.668857  20.3232     164.459     2.89279     344.459     
1 1 1 14 21 9  o 34.6886 4.35264 2.979        0.759885  1.9784       0.737167  44.4225     349.589     27.7322     349.589     
1 1 1 14 21 10 o 44.0432 3.77363 3.69474      0.846199  4.0017       0.839867  49.6243     122.724     16.9846     122.724     
1 1 1 14 21 11 o 44.8769 3.80911 3.59777      0.859452  4.42988      0.868244  44.0482     259.081     3.79769     259.081     
1 1 1 14 21 12 o 17.882  4.63765 0.245895     0.565752  0.849498     0.598743  10.3144     170.755     7.95258     350.755     
1 1 1 14 21 13 o 11.8017 3.865   -0.180672    0.487786  -0.655458    0.654619  0.649798    279.295     14.1026     99.2953     
1 1 1 14 21 14 o 19.9264 4.92705 1.56291      0.827073  -0.0464726   0.557249  13.3939     13.5642     7.45014     13.5642     
1 1 1 14 21 15 o 35.4744 4.51206 2.88198      0.789515  2.38315      0.804339  32.1551     36.5136     0.774116    216.514     
1 1 1 14 21 16 o 29.3954 4.6214  0.863733     0.694208  2.96334      0.765308  35.7408     141.923     24.185      141.923     
1 1 1 14 21 17 o 32.2717 4.65017 1.64225      0.726371  2.8571       0.781659  33.6864     113.346     9.80725     113.346     
1 1 1 14 21 18 o 28.0193 4.91546 1.37047      0.712012  2.08253      0.72617   27.6509     353.627     6.66251     353.627     
1 1 1 14 21 19 o 18.2443 4.23542 1.37756      0.613448  -0.547343    0.586294  13.4914     344.89      0.444418    164.891     
1 1 1 14 21 20 o 22.6331 4.91411 0.438815     0.683258  1.73348      0.707618  15.368      7.59931     8.0887      187.599     
1 1 1 14 21 21 o 30.8411 4.83665 0.86106      0.8513    3.4637       0.806336  18.0669     327.571     19.799      147.571     
1 1 1 14 21 22 o 15.252  4.51122 0.0322152    0.606151  0.428312     0.605682  8.9391      161.195     2.31021     341.195     
1 1 1 14 21 23 o 24.4367 4.57357 1.83977      0.569416  0.755896     0.720338  19.9599     126.68      2.38205     306.68      
1 1 1 14 21 24 o 11.1667 3.22056 -0.150392    0.297046  0.31339      0.327255  0.949832    83.4475     13.9206     263.448     
1 1 1 14 21 25 o 32.6588 3.63504 1.70103      0.579618  2.80985      0.581041  35.5736     94.5638     13.1454     94.5638     
1 1 1 14 21 26 o 23.3617 4.06459 0.863458     0.504808  1.56532      0.499035  18.8651     262.167     2.58685     82.1668     
1 1 1 14 21 27 o 16.9009 4.21256 0.485639     0.47955   0.721823     0.451412  13.5587     6.87867     2.09367     6.87867     
1 1 1 14 21 28 f 24.6206 4.16473 1.30513      0.518565  1.44488      0.530698  27.5505     235.246     0           0           
1 1 1 14 21 29 o 24.0139 4.12472 1.83405      0.541977  0.850359     0.515417  20.12       20.2439     0.669146    200.244     
1 1 1 14 21 30 o 35.5651 3.72455 3.08364      0.683704  2.46034      0.644523  29.272      202.845     4.65104     22.8452     
1 1 1 14 21 31 o 9.33109 3.08704 -0.311475    0.37933   -0.189664    0.36717   0.187712    255.463     5.69437     75.4634     
1 1 1 14 21 32 o 12.1885 3.67612 -0.289531    0.441244  0.405859     0.436644  0.102089    233.395     17.6485     53.3944     
1 1 1 14 21 33 o 23.0299 4.78185 1.96222      0.666951  0.843465     0.63593   16.3072     311.078     5.61215     131.078     
1 1 1 14 21 34 o 13.6806 4.24847 0.344089     0.526713  0.0106711    0.663845  3.76276     151.696     12.5282     331.696     
1 1 1 14 21 35 o 17.1917 4.9345  0.956921     0.706909  0.577291     0.675964  7.61579     345.023     11.1818     165.023     
1 1 1 14 21 36 o 20.2339 4.74765 1.09608      0.588598  1.14828      0.574293  15.5607     245.498     1.27565     245.498     
1 1 1 14 21 37 o 14.8734 4.31117 0.651174     0.542231  0.289066     0.534024  6.45244     250.503     4.74752     70.503      
1 1 1 14 21 38 o 23.9448 4.82023 1.99756      0.662045  1.21935      0.625235  22.0474     336.989     7.92794     336.989     
1 1 1 14 21 39 o 14.7948 4.19014 1.05005      0.583704  -0.300961    0.529581  4.70764     349.329     11.8738     169.329     
1 1 1 14 21 40 o 13.9455 4.29097 0.210903     0.625999  0.486452     0.552885  6.37856     216.714     0.497121    36.7138     
1 1 1 14 21 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 22 0  o 15.3297 4.63602 0.637662     0.375874  0.637662     0.375874  1.70659     1.01861e-05 25.5317     180         
1 1 1 14 22 1  o 27.4305 3.46551 0.995832     0.459241  2.08788      0.471584  25.5136     86.8896     2.14554     86.8896     
1 1 1 14 22 2  o 55.7831 2.6182  6.52613      0.756595  5.36346      0.74406   64.713      116.695     24.2441     116.695     
1 1 1 14 22 3  o 26.4558 3.76557 1.88357      0.461337  0.989539     0.529746  24.05       138.704     1.32907     138.704     
1 1 1 14 22 4  o 29.4099 4.58326 1.65617      0.661777  1.98262      0.699191  29.5472     316.2       6.97634     316.2       
1 1 1 14 22 5  o 26.1641 4.76167 1.64844      0.632683  1.26513      0.676981  17.7361     162.66      11.3306     342.66      
1 1 1 14 22 6  o 12.1443 3.7727  0.0972696    0.439204  -0.286872    0.498849  2.64287     242.511     3.44985     62.5111     
1 1 1 14 22 7  o 19.1784 4.89536 0.981925     0.633921  0.336715     0.66652   9.38945     282.653     13.4109     102.653     
1 1 1 14 22 8  o 23.4266 5.10161 1.20651      0.625057  1.14556      0.74263   11.7871     229.92      17.8275     49.9201     
1 1 1 14 22 9  o 54.4538 3.6057  7.23732      1.00017   4.63959      0.97042   53.0689     271.61      3.7525      271.61      
1 1 1 14 22 10 o 29.7947 4.62163 2.57128      0.710658  1.25916      0.702879  32.9213     344.731     14.1387     344.731     
1 1 1 14 22 11 o 20.0318 4.90608 0.973387     0.623515  0.639545     0.632496  16.2257     205.267     1.70323     205.267     
1 1 1 14 22 12 o 26.9385 4.03843 -0.19882     0.683477  3.20336      0.729153  29.289      154.901     12.9933     154.901     
1 1 1 14 22 13 o 12.1534 3.95567 -1.09919     0.41683   0.352772     0.707192  0.667379    87.6784     15.3281     267.678     
1 1 1 14 22 14 o 28.2602 5.46666 2.7308       0.907577  0.890992     0.897702  29.8007     296.813     11.779      296.813     
1 1 1 14 22 15 o 28.0999 4.67763 2.64385      0.71763   0.845471     0.72637   17.1849     320.417     16.0811     140.417     
1 1 1 14 22 16 o 31.0847 4.66531 2.13117      0.716815  2.04091      0.74001   33.6313     345.475     12.8873     345.475     
1 1 1 14 22 17 o 25.8387 4.56358 2.41028      0.690921  0.497214     0.700234  23.4264     39.6694     2.27567     39.6694     
1 1 1 14 22 18 o 32.6089 4.6178  1.37297      0.731072  3.41991      0.791321  40.5544     282.951     25.4298     282.951     
1 1 1 14 22 19 o 27.4387 5.04008 2.00478      0.732314  1.43725      0.728408  30.553      326.852     15.4128     326.852     
1 1 1 14 22 20 o 22.9114 5.15836 0.797036     0.693396  1.61559      0.734161  22.9464     26.5757     9.74213     26.5757     
1 1 1 14 22 21 o 16.9132 4.64359 0.0123286    0.593683  0.90711      0.643978  11.7434     122.896     2.01621     302.896     
1 1 1 14 22 22 o 17.4043 4.86034 0.644242     0.662878  0.489574     0.633565  6.34969     149.283     16.2815     329.283     
1 1 1 14 22 23 o 20.3163 5.04016 0.114508     0.672679  1.6707       0.791006  19.3085     59.9131     9.59777     59.9131     
1 1 1 14 22 24 o 56.7659 4.1415  7.03353      1.18472   7.00995      1.21705   60.3395     92.7076     17.06       92.7076     
1 1 1 14 22 25 o 10.9568 3.70444 -0.419666    0.565396  -0.730356    0.63038   3.37154     16.5463     2.82066     196.546     
1 1 1 14 22 26 o 20.2153 5.32702 0.84217      0.768575  1.17251      0.741922  12.5529     329.857     8.33851     149.857     
1 1 1 14 22 27 o 10.4751 3.3986  0.0886652    0.287165  -1.15031     0.718411  2.07723     58.6142     4.29837     238.614     
1 1 1 14 22 28 o 20.428  4.11493 1.19804      0.483736  0.76238      0.442146  17.5467     343.081     3.09815     343.081     
1 1 1 14 22 29 o 16.7886 4.15426 0.77502      0.463439  0.516487     0.434974  11.9142     113.779     3.17105     113.779     
1 1 1 14 22 30 o 21.2759 4.15994 0.613116     0.518285  1.57301      0.511842  14.912      179.93      5.07443     359.93      
1 1 1 14 22 31 o 18.3858 4.30823 1.15928      0.515315  0.485981     0.492816  8.19366     13.7803     5.28165     13.7803     
1 1 1 14 22 32 o 20.4551 4.51995 0.611352     0.548035  1.55558      0.589919  14.1812     287.229     4.52537     107.229     
1 1 1 14 22 33 o 16.8204 4.57926 0.924958     0.59574   0.495658     0.543438  11.1179     174.11      2.41888     174.11      
1 1 1 14 22 34 o 13.0223 3.80625 0.688096     0.492651  -0.383407    0.442503  4.35678     57.877      4.78727     237.877     
1 1 1 14 22 35 o 13.1833 3.80867 0.799134     0.51048   -0.603697    0.460476  2.60935     119.462     1.13846     299.462     
1 1 1 14 22 36 o 10.3014 3.40777 -0.678152    0.471357  0.0800953    0.469376  0.400806    69.1299     7.26424     249.13      
1 1 1 14 22 37 o 13.1842 4.28644 0.214297     0.678994  -0.0297296   0.667071  2.45168     57.5492     0.41901     237.549     
1 1 1 14 22 38 o 12.846  4.11404 -0.0948309   0.665386  0.299535     0.546107  4.82764     226.8       3.30178     46.8004     
1 1 1 14 22 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 23 0  o 6.59168 3.06819 -0.0386283   0.266858  -0.0386283   0.266858  3.60236     2.23124e-05 10.7951     2.23124e-05 
1 1 1 14 23 1  o 38.5506 2.92628 3.22867      0.573252  2.57501      0.570751  28.4777     345.257     14.4122     165.257     
1 1 1 14 23 2  o 26.6291 4.1417  1.11439      0.482074  1.89711      0.638596  23.6397     249.077     0.673092    249.077     
1 1 1 14 23 3  o 19.2616 4.35378 1.2128       0.53746   0.132525     0.581674  15.2842     278.595     1.29815     278.595     
1 1 1 14 23 4  o 13.9344 4.092   0.279474     0.465243  0.0369701    0.519906  3.39384     281.08      0.213146    101.08      
1 1 1 14 23 5  o 11.3745 3.54708 -0.627834    0.394453  0.252748     0.474148  1.12543     354.567     11.0389     174.567     
1 1 1 14 23 6  o 23.4481 4.86949 1.51867      0.638518  0.855034     0.66393   16.4377     284.224     7.49183     104.224     
1 1 1 14 23 7  o 25.0036 4.8114  2.12753      0.7266    0.603327     0.677456  25.2403     93.0072     9.46699     93.0072     
1 1 1 14 23 8  o 14.8288 4.48309 0.0234195    0.592749  0.241119     0.632696  5.90199     41.0316     9.40208     221.032     
1 1 1 14 23 9  o 42.5588 4.21349 4.23763      0.896486  3.29287      0.896002  47.9845     274.975     18.4799     274.975     
1 1 1 14 23 10 o 9.71134 3.24286 -0.232184    0.409008  -0.734311    0.469965  0.614298    164.586     10.3149     164.586     
1 1 1 14 23 11 o 48.3712 3.99524 3.80301      0.934202  5.8927       0.997367  60.174      238.78      32.0811     238.78      
1 1 1 14 23 12 o 17.9558 4.80959 0.715428     0.596747  0.456249     0.646574  13.325      305.353     1.0877      305.353     
1 1 1 14 23 13 o 20.2179 4.65807 -0.425564    0.553665  1.96085      0.829139  17.8608     283.007     5.0533      283.007     
1 1 1 14 23 14 o 22.6074 5.77208 1.50679      0.88308   0.783026     0.897676  4.78575     27.6596     30.1668     207.66      
1 1 1 14 23 15 o 24.1456 5.0678  1.71695      0.698799  0.941747     0.710765  21.5263     62.8613     2.33142     62.8614     
1 1 1 14 23 16 o 18.3362 4.80248 0.249852     0.608632  1.04124      0.659527  13.3526     321.566     1.99131     141.566     
1 1 1 14 23 17 o 20.9075 5.1267  0.922094     0.663227  1.05957      0.693654  9.5759      245.206     16.7594     65.2056     
1 1 1 14 23 18 f 24.2647 4.86183 2.11817      0.71881   0.582169     0.71303   19.2281     220.679     0           0           
1 1 1 14 23 19 o 10.1329 3.44942 -0.714141    0.509908  -0.540779    0.555774  1.62605     326.983     2.84474     146.983     
1 1 1 14 23 20 o 16.7869 4.45172 -0.42943     0.567788  1.19884      0.66366   11.3064     193.327     5.7907      193.327     
1 1 1 14 23 21 o 26.3813 5.51014 1.8588       0.772421  1.69227      0.847509  25.3252     310.084     5.88631     310.084     
1 1 1 14 23 22 o 30.2029 5.50137 2.67546      0.867309  1.98555      0.885863  23.7708     188.607     5.51324     8.6074      
1 1 1 14 23 23 o 19.8204 5.36245 1.18839      0.779056  0.704647     0.782528  6.35109     241.264     20.8349     61.2637     
1 1 1 14 23 24 o 17.9388 5.14077 0.264835     0.727921  1.08352      0.799531  13.7373     221.236     5.00879     221.236     
1 1 1 14 23 25 o 16.2435 4.37321 1.33937      0.687544  -0.967581    0.611764  10.8198     311.578     0.616068    131.578     
1 1 1 14 23 26 o 15.2253 4.7108  0.674937     0.769587  -0.137529    0.66762   8.12575     98.0574     0.479787    98.0574     
1 1 1 14 23 27 o 28.5812 6.22785 2.63383      1.02974   2.39398      0.998744  27.6946     339.362     8.39533     339.362     
1 1 1 14 23 28 o 24.446  5.10891 2.56721      0.799107  0.678576     0.82283   23.6449     192.109     8.51158     192.109     
1 1 1 14 23 29 o 21.0117 5.43319 1.34752      0.757487  1.24177      0.788834  16.9269     46.8002     1.4301      46.8002     
1 1 1 14 23 30 o 11.2532 3.802   -0.275412    0.335425  0.0568584    0.766129  0.450126    86.8462     0.36503     266.846     
1 1 1 14 23 31 o 23.154  4.70719 1.68779      0.593317  1.17382      0.626797  22.4415     341.521     11.7111     341.521     
1 1 1 14 23 32 o 22.1077 4.46402 1.67546      0.573609  0.897199     0.54233   19.0357     159.924     5.15983     159.924     
1 1 1 14 23 33 o 18.111  4.58408 1.01477      0.591912  0.747703     0.498827  10.1771     342.208     4.21746     342.208     
1 1 1 14 23 34 o 34.9678 4.35047 2.43074      0.740805  3.71044      0.760243  39.1773     254.229     21.0897     254.229     
1 1 1 14 23 35 o 18.8766 4.85906 1.25145      0.595483  0.800756     0.694232  13.3333     190.562     0.226678    10.5619     
1 1 1 14 23 36 o 8.25414 2.87083 -0.39729     0.454512  -0.774994    0.372195  0.698143    203.578     5.7865      203.578     
1 1 1 14 23 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 23 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 24 0  o 17.0782 4.74655 0.774557     0.402821  0.774557     0.402821  5.26291     8.39823e-06 21.3395     180         
1 1 1 14 24 1  o 22.944  4.48885 1.54591      0.568933  0.728216     0.591141  17.4227     78.8947     4.26053     258.895     
1 1 1 14 24 2  o 32.7792 4.32836 2.81555      0.704697  1.79343      0.70188   32.5991     295.774     6.87437     295.774     
1 1 1 14 24 3  o 35.8231 4.21976 2.44714      0.726439  2.96839      0.785253  35.5127     169.593     6.59754     169.593     
1 1 1 14 24 4  o 25.5827 4.88252 0.936867     0.671814  2.01198      0.71105   24.6191     7.26288     6.02806     7.26288     
1 1 1 14 24 5  o 15.4439 4.47777 0.318425     0.561515  0.293589     0.583607  7.24567     107.556     1.94949     107.556     
1 1 1 14 24 6  o 16.7622 4.22266 1.10479      0.57419   -0.59682     0.596272  11.516      116.444     1.5088      296.444     
1 1 1 14 24 7  o 31.4466 4.94493 2.31807      0.782398  2.10887      0.788604  23.3929     322.704     9.52798     142.704     
1 1 1 14 24 8  o 28.5233 5.45861 1.96238      0.85093   1.8607       0.802336  23.3688     35.335      3.28687     215.335     
1 1 1 14 24 9  o 21.2492 5.19778 0.988179     0.626942  1.03037      0.772247  20.0493     221.917     8.65637     221.917     
1 1 1 14 24 10 o 22.9253 4.98278 1.64324      0.679348  0.718311     0.697809  18.7008     56.7131     1.21594     236.713     
1 1 1 14 24 11 o 13.8954 4.19956 0.424304     0.553927  -0.379971    0.587324  7.27856     292.768     0.895618    112.768     
1 1 1 14 24 12 o 22.3657 5.10351 0.78549      0.67543   1.52587      0.712909  16.4438     114.892     4.93871     294.892     
1 1 1 14 24 13 o 22.7213 5.01809 0.566376     0.691052  1.80432      0.73107   13.5745     103.234     12.0097     283.234     
1 1 1 14 24 14 o 27.3408 5.9511  1.74167      0.933361  2.09744      0.927311  22.4992     191.956     2.24097     11.9561     
1 1 1 14 24 15 o 13.9925 4.44586 0.306888     0.751919  -0.374558    0.592214  7.63988     7.36062     3.09563     187.361     
1 1 1 14 24 16 o 27.4033 5.05616 1.30631      0.734344  2.33276      0.760478  25.3997     113.769     3.54743     113.769     
1 1 1 14 24 17 o 13.7372 4.28799 0.264651     0.602239  -0.192072    0.613542  7.83963     175.566     1.4429      355.566     
1 1 1 14 24 18 o 23.0528 4.89482 0.183165     0.674383  2.38442      0.823519  23.4096     144.697     9.78069     144.697     
1 1 1 14 24 19 o 35.012  5.18725 2.6396       0.856695  3.35811      0.968323  38.5426     110.992     16.1919     110.992     
1 1 1 14 24 20 f 27.7783 5.25399 0.988415     0.791741  3.0864       0.904486  32.9685     152.749     0           0           
1 1 1 14 24 21 o 31.1956 5.53383 3.38227      0.912534  1.8209       0.967973  24.575      137.94      4.99366     317.94      
1 1 1 14 24 22 o 19.6977 5.1823  0.463388     0.715311  1.46792      0.771728  15.4046     251.329     1.20607     251.329     
1 1 1 14 24 23 o 10.2952 3.52884 -0.365323    0.57623   -1.17469     0.617319  0.249652    280.936     10.7578     100.936     
1 1 1 14 24 24 o 26.0929 5.53648 1.71478      0.80899   2.10479      0.816964  26.985      90.9771     13.1339     90.9771     
1 1 1 14 24 25 o 20.6222 4.41958 -0.930583    0.752863  2.31853      0.75422   18.0163     8.64244     4.65685     8.64244     
1 1 1 14 24 26 o 21.2264 5.55545 2.22817      0.958526  0.443543     0.795024  19.007      352.565     9.52643     352.565     
1 1 1 14 24 27 o 21.8929 5.6971  1.60286      0.791523  1.38402      0.947794  19.5073     238.366     6.88075     238.366     
1 1 1 14 24 28 o 16.8846 4.99264 0.517476     0.711299  0.891646     0.757004  9.20605     99.462      3.21196     99.462      
1 1 1 14 24 29 o 12.158  4.13967 -0.968649    0.698689  0.00597401   0.820237  2.45109     209.301     3.0744      29.3014     
1 1 1 14 24 30 o 15.5807 4.83802 0.750888     0.776408  0.189523     0.743273  7.15816     201.195     1.42627     21.1948     
1 1 1 14 24 31 o 21.8584 5.51011 0.971182     0.812697  2.06304      0.845471  18.1157     56.9313     6.04088     56.9313     
1 1 1 14 24 32 o 17.5287 5.42007 1.62581      1.0128    -0.0117985   0.958864  10.1309     39.1869     3.56035     219.187     
1 1 1 14 24 33 o 20.1494 5.32465 1.96792      0.822058  0.631001     0.810223  13.4448     294.246     3.37945     114.246     
1 1 1 14 24 34 o 8.25343 3.00357 -0.833116    0.290324  -0.69174     0.694163  0.296227    220.882     3.15068     220.882     
1 1 1 14 24 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 25 0  o 24.4801 8.75251 2.19567      1.37875   2.19567      1.37875   17.002      180         11.3268     8.65191e-06 
1 1 1 14 25 1  o 32.7955 6.52832 3.74354      1.49852   2.12109      0.827967  29.6381     18.2942     1.79358     18.2942     
1 1 1 14 25 2  o 15.3518 3.96149 0.80553      0.459717  -0.201655    0.496676  1.92718     128.92      21.5993     308.92      
1 1 1 14 25 3  o 35.8338 4.56418 3.3307       0.805919  2.37735      0.814758  32.5483     339.723     0.976169    339.723     
1 1 1 14 25 4  o 27.2608 5.06294 2.04631      0.724065  1.44503      0.745219  22.611      199.921     2.16719     19.9206     
1 1 1 14 25 5  o 14.0748 4.05923 0.679253     0.545484  -0.624849    0.534495  6.50183     185.488     1.53255     185.488     
1 1 1 14 25 6  o 40.5537 4.36292 3.53797      0.862006  3.64296      0.914079  41.0854     101.962     9.32627     101.962     
1 1 1 14 25 7  o 26.4928 4.6898  0.613472     0.684418  2.7176       0.767046  28.3386     95.479      12.2819     95.479      
1 1 1 14 25 8  f 27.1097 5.15343 2.27062      0.757331  1.27222      0.778965  24.9065     41.0918     0           0           
1 1 1 14 25 9  o 18.6568 5.15329 0.816423     0.688281  0.630087     0.765002  11.7594     149.633     6.69866     329.633     
1 1 1 14 25 10 o 22.2295 5.24181 1.43778      0.708757  0.9589       0.734872  16.4542     121.312     4.43428     301.312     
1 1 1 14 25 11 o 30.7797 4.99275 3.01658      0.807093  1.57724      0.793083  26.6879     139.753     0.678782    319.753     
1 1 1 14 25 12 o 16.7474 4.75658 0.589341     0.619133  0.462267     0.64561   11.6563     330.227     2.12781     150.227     
1 1 1 14 25 13 o 20.2619 4.83686 1.49206      0.664355  0.358533     0.664632  17.2722     154.552     11.4767     154.552     
1 1 1 14 25 14 o 19.3603 5.24031 0.313537     0.645212  1.46631      0.867025  15.5529     268.008     1.28683     268.008     
1 1 1 14 25 15 o 13.9122 4.40273 -1.20883     0.811303  0.498716     0.672989  1.84752     213.035     26.1503     213.035     
1 1 1 14 25 16 o 21.8281 5.38295 0.98104      0.705077  1.51629      0.800585  17.3951     1.93278     0.365801    181.933     
1 1 1 14 25 17 o 46.6123 4.64784 4.74799      1.06413   5.45867      1.11802   43.9323     124.276     4.95849     124.276     
1 1 1 14 25 18 o 25.8577 5.59484 2.39489      0.867708  1.31828      0.840327  23.9071     243.617     5.68726     243.617     
1 1 1 14 25 19 o 16.0935 4.87754 0.353822     0.714389  0.529951     0.741024  9.81943     173.591     0.38132     173.591     
1 1 1 14 25 20 o 18.629  5.26626 0.33361      0.799122  1.31035      0.813524  11.0684     156.943     6.63068     336.943     
1 1 1 14 25 21 o 13.4733 4.37775 -0.250835    0.676855  0.154285     0.724488  3.72713     222.976     0.00323115  222.973     
1 1 1 14 25 22 o 38.4496 5.02646 3.83495      0.970467  3.69813      0.959352  40.3092     327.525     14.4781     327.525     
1 1 1 14 25 23 o 13.0229 4.29027 -0.222089    0.6656    -0.0245597   0.743632  5.37415     109.669     3.17835     289.669     
1 1 1 14 25 24 o 12.3397 4.12273 -0.18216     0.6553    -0.383656    0.736836  3.11261     213.81      9.24916     33.8102     
1 1 1 14 25 25 o 12.1578 4.03129 -0.570088    0.649322  0.0760195    0.651146  3.01205     241.802     2.81516     61.8023     
1 1 1 14 25 26 o 21.8523 5.74385 1.19513      0.957092  1.88938      0.858389  18.3241     212.408     6.59512     212.408     
1 1 1 14 25 27 o 14.9003 4.80453 0.0624669    0.688191  0.574944     0.931781  4.81939     288.009     9.99085     108.009     
1 1 1 14 25 28 o 25.7405 6.0861  1.95551      0.940082  2.56466      0.983807  23.97       237.289     10.0594     237.289     
1 1 1 14 25 29 o 18.7989 5.3744  0.999924     0.810402  1.20335      0.814658  12.3767     77.247      1.20594     257.247     
1 1 1 14 25 30 o 18.6409 5.39371 1.2578       0.836682  0.988646     0.824868  11.8984     83.3012     2.6636      263.301     
1 1 1 14 25 31 o 16.7675 5.01264 1.41471      0.803384  -0.235458    0.902098  10.0315     78.0796     2.5124      258.08      
1 1 1 14 25 32 o 17.9099 5.42983 0.29987      0.962072  1.65794      0.950299  12.7077     297.093     2.77397     297.093     
1 1 1 14 25 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 26 0  o 16.0325 7.34147 0.718886     1.4402    0.718886     1.4402    12.9588     360         1.19695     360         
1 1 1 14 26 1  o 33.8293 8.18385 5.71964      1.88126   2.91166      1.79783   29.7028     280.337     1.28713     280.337     
1 1 1 14 26 2  o 23.6594 6.67445 2.50974      1.28622   0.430836     1.46525   22.8264     266.022     9.524       266.022     
1 1 1 14 26 3  o 29.9246 4.7897  2.48181      0.699     1.76179      0.764355  26.0739     257.613     0.0869002   257.612     
1 1 1 14 26 4  o 14.7543 4.22439 -0.223879    0.499292  0.754265     0.581453  5.98671     83.8833     10.807      263.883     
1 1 1 14 26 5  o 39.0669 4.57084 3.80037      0.848091  3.17781      0.920768  42.8446     239.665     16.9465     239.665     
1 1 1 14 26 6  f 19.6217 5.11858 0.702471     0.647809  1.14337      0.733719  12.472      230.951     0           0           
1 1 1 14 26 7  o 17.0847 4.83262 0.185271     0.611853  0.954019     0.717499  7.83428     250.042     4.32678     250.042     
1 1 1 14 26 8  o 15.265  4.60934 0.433734     0.622223  0.148296     0.68235   9.42164     122.531     1.0664      302.531     
1 1 1 14 26 9  o 35.1824 5.46245 2.63422      0.998422  3.67397      0.950586  35.3628     308.37      9.78893     308.37      
1 1 1 14 26 10 o 31.496  5.68288 1.80338      0.843081  3.5966       1.06316   26.9681     42.0397     0.286987    222.04      
1 1 1 14 26 11 o 18.1754 5.04484 0.245861     0.676812  1.20941      0.767969  9.72993     50.1527     9.18257     230.153     
1 1 1 14 26 12 o 29.8316 5.45245 1.67853      0.834142  3.09331      0.917497  27.0357     250.758     3.55617     250.758     
1 1 1 14 26 13 o 19.8264 5.30238 1.20896      0.740014  0.800044     0.777624  11.8533     79.578      7.72882     259.578     
1 1 1 14 26 14 o 18.7144 5.56555 0.490004     0.734666  1.31239      1.08141   12.0827     246.472     5.69959     246.472     
1 1 1 14 26 15 o 17.5147 5.34405 0.299399     0.982146  0.860408     0.837785  11.4106     244.386     1.72761     64.3855     
1 1 1 14 26 16 o 19.7082 5.19699 1.50289      0.748152  0.441012     0.796329  13.7621     51.2712     8.02126     51.2712     
1 1 1 14 26 17 o 20.7481 5.498   0.91052      0.774528  1.54087      0.842119  17.146      334.438     3.47873     334.438     
1 1 1 14 26 18 o 21.1004 5.48723 1.44455      0.785027  1.1239       0.805653  18.6442     224.426     7.34402     224.426     
1 1 1 14 26 19 o 9.57402 3.33273 -0.725095    0.607157  -0.990131    0.546356  0.574355    338.604     2.53105     158.604     
1 1 1 14 26 20 o 15.3308 4.67553 0.0833214    0.689896  0.691309     0.692959  8.30803     350.822     1.2042      350.822     
1 1 1 14 26 21 o 27.5557 5.68262 2.46258      0.855967  2.08713      0.879399  21.0908     122.831     3.29859     302.831     
1 1 1 14 26 22 o 26.161  5.7286  2.30119      0.849253  1.90681      0.881154  24.6107     118.816     8.65831     118.816     
1 1 1 14 26 23 o 18.0084 4.9396  -0.0708987   0.731056  1.58439      0.768814  11.5074     121.355     1.10534     301.355     
1 1 1 14 26 24 o 12.7934 4.20359 -0.00835524  0.680764  -0.125431    0.662297  0.810016    284.398     14.7375     104.398     
1 1 1 14 26 25 o 9.72222 3.40846 -1.15028     0.607516  -0.868676    0.675367  0.03066     246.19      3.43809     246.19      
1 1 1 14 26 26 o 20.2664 5.85543 1.59262      1.04374   1.3393       0.906334  11.7847     17.1408     6.83731     197.141     
1 1 1 14 26 27 o 11.0711 3.80898 -0.0934048   0.690446  -1.67934     0.771699  1.58473     251.911     3.74597     71.9113     
1 1 1 14 26 28 o 15.4313 4.79124 1.02808      0.78652   -0.115133    0.757809  7.89089     73.6167     4.19343     253.617     
1 1 1 14 26 29 o 12.2796 4.12963 -0.390876    0.719465  -0.0658804   0.720037  0.294495    314.597     0.0539232   134.597     
1 1 1 14 26 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 27 0  o 10.2196 5.08022 -0.68046     1.04234   -0.68046     1.04234   0.212635    180         0.643424    360         
1 1 1 14 27 1  f 26.1478 7.00163 3.22801      1.40214   1.6532       1.2762    18.5725     67.8197     0           0           
1 1 1 14 27 2  o 17.7795 5.74482 0.85527      1.25977   0.0702514    1.09726   10.3706     128.152     5.11547     308.152     
1 1 1 14 27 3  o 14.3652 4.88318 -0.803822    1.09011   -0.370935    1.04487   5.43335     190.533     0.108128    10.5332     
1 1 1 14 27 4  o 21.3262 4.86933 1.27636      0.603629  1.02519      0.633478  16.9802     88.6974     0.564221    88.6974     
1 1 1 14 27 5  o 28.7395 5.12257 2.77018      0.777886  1.53136      0.816201  30.5156     129.675     14.3713     129.675     
1 1 1 14 27 6  o 11.3225 3.64606 0.324937     0.526244  -1.2912      0.539989  2.55753     207.429     5.25004     27.429      
1 1 1 14 27 7  o 27.7092 5.74056 1.9249       0.871542  2.40744      0.893599  30.1154     238.637     17.7209     238.637     
1 1 1 14 27 8  o 16.8699 4.97268 0.436859     0.677269  0.76944      0.767153  8.71644     107.405     7.75222     287.405     
1 1 1 14 27 9  o 26.9048 5.67972 2.47979      0.865343  1.66492      0.888773  25.2885     200.298     6.9401      200.298     
1 1 1 14 27 10 o 22.135  5.70857 0.706899     0.860569  2.15458      0.950885  20.1981     32.4521     9.04606     32.4521     
1 1 1 14 27 11 o 28.6189 5.66407 1.86922      0.880298  2.80972      0.904366  25.9901     196.256     4.60378     196.256     
1 1 1 14 27 12 o 13.6438 4.42409 -0.02813     0.702932  0.0211732    0.715255  6.07231     46.2168     3.92923     226.217     
1 1 1 14 27 13 f 12.0512 4.00902 -0.517779    0.617534  -0.0517584   0.668923  2.81695     235.347     0           0           
1 1 1 14 27 14 o 16.1478 4.89605 0.964318     0.737975  -0.420513    0.911466  6.33028     123.78      11.8656     303.78      
1 1 1 14 27 15 o 16.3465 5.2167  0.564186     0.973105  0.354387     0.901158  9.89232     359.448     1.11851     179.448     
1 1 1 14 27 16 o 13.9909 4.46081 0.319099     0.680273  -0.0293439   0.698613  5.9134      298.786     5.21961     118.786     
1 1 1 14 27 17 o 15.802  4.77419 0.111003     0.697328  0.843044     0.724987  5.31798     54.5383     1.59166     54.5383     
1 1 1 14 27 18 o 14.8031 4.56564 -0.272684    0.693586  0.77511      0.700611  6.48773     246.219     1.18286     66.2192     
1 1 1 14 27 19 o 19.1306 5.26856 0.704654     0.770309  1.4086       0.777693  12.1761     21.1454     2.8564      201.145     
1 1 1 14 27 20 o 17.7893 5.01763 1.36355      0.746927  0.18314      0.771862  9.91755     221.889     4.49071     41.8888     
1 1 1 14 27 21 o 19.4183 5.16713 1.83987      0.818684  0.242224     0.754239  13.5164     113.748     0.543467    113.748     
1 1 1 14 27 22 o 15.1798 4.63408 1.11279      0.76177   -0.663134    0.72221   6.41114     316.957     0.0450843   136.957     
1 1 1 14 27 23 o 19.5039 5.39207 0.871528     0.785519  1.53847      0.823222  12.6471     26.882      3.00525     206.882     
1 1 1 14 27 24 o 18.3638 5.41584 1.20102      0.840995  0.975025     0.883064  9.68739     221.262     4.71956     221.262     
1 1 1 14 27 25 o 12.0014 4.06984 0.0771131    0.731759  -0.997389    0.762979  1.87536     1.85985     0.972001    181.86      
1 1 1 14 27 26 o 12.946  4.35265 0.307802     0.812354  -0.868696    0.819478  1.14202     283.052     0.0153957   283.052     
1 1 1 14 27 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 28 0  o 14.6453 6.79964 0.660381     1.29806   0.660381     1.29806   7.46881     180         8.70508     360         
1 1 1 14 28 1  o 15.0656 5.22915 -0.805667    1.19746   -0.593216    1.57073   5.2966      322.657     11.1605     142.657     
1 1 1 14 28 2  o 18.0809 5.89659 0.822377     1.17559   0.540397     1.42939   11.7758     88.7009     4.51079     88.7009     
1 1 1 14 28 3  o 20.0557 6.18653 2.02692      1.19492   -0.257495    1.64193   13.8016     215.902     2.54446     35.9017     
1 1 1 14 28 4  o 18.8749 6.10746 0.115385     1.15796   1.8906       1.49738   11.0122     107.91      5.56452     107.91      
1 1 1 14 28 5  o 21.2161 5.32401 1.46642      0.79621   1.12119      0.671747  15.8284     193.551     1.34093     13.5511     
1 1 1 14 28 6  o 9.80514 3.32977 -0.265729    0.476546  -0.793686    0.526538  0.574896    253.607     11.9606     253.607     
1 1 1 14 28 7  o 11.6238 3.74314 0.417801     0.558176  -1.32219     0.566425  1.07805     208.472     0.665237    28.472      
1 1 1 14 28 8  o 14.7898 4.59122 0.387599     0.67407   0.26075      0.681184  7.50592     302.051     1.61871     122.051     
1 1 1 14 28 9  o 15.9068 4.7743  0.875414     0.708172  0.0484776    0.721918  3.36623     204.483     1.27889     204.483     
1 1 1 14 28 10 o 13.4944 4.37042 -0.0606956   0.665267  0.148499     0.712307  3.3111      167.905     11.3404     347.905     
1 1 1 14 28 11 o 13.4431 4.42081 -0.225602    0.712816  0.112893     0.775586  4.12735     348.88      1.76792     168.88      
1 1 1 14 28 12 o 12.8663 4.22774 0.0696513    0.683343  -0.276347    0.681604  3.43097     206.981     7.15769     26.9811     
1 1 1 14 28 13 o 14.8852 4.64891 0.289941     0.699704  0.403028     0.708369  2.71698     300.7       0.238832    300.7       
1 1 1 14 28 14 o 21.6238 5.56777 1.81666      0.834686  1.11802      0.822446  15.3732     258.099     1.26104     78.0988     
1 1 1 14 28 15 o 16.1837 4.96043 0.907544     0.744437  -0.01403     0.903117  1.52508     59.2108     0.409823    59.2108     
1 1 1 14 28 16 o 14.51   4.678   -0.326842    0.883779  0.499307     0.743224  3.30738     226.804     0.247135    46.8042     
1 1 1 14 28 17 o 14.534  4.47379 -0.902793    0.69319   1.01202      0.733153  1.96093     230.463     0.143071    230.463     
1 1 1 14 28 18 o 24.8428 5.50735 1.22193      0.838035  2.67462      0.867908  23.1049     2.38661     9.76131     2.38661     
1 1 1 14 28 19 o 14.62   4.63271 0.512203     0.740156  0.13935      0.716276  6.44042     359.977     1.32371     179.977     
1 1 1 14 28 20 o 17.4421 5.18906 1.2174       0.837873  0.574493     0.772738  10.3726     29.3358     3.55214     29.3358     
1 1 1 14 28 21 o 17.4154 5.17    0.527945     0.799816  1.24222      0.813861  11.0481     106.093     3.65525     106.093     
1 1 1 14 28 22 o 12.8421 4.28937 0.114573     0.715676  -0.475287    0.814399  4.82673     85.2403     3.33141     265.24      
1 1 1 14 28 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 28 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 29 0  o 13.3425 6.26167 0.447031     1.14852   0.447031     1.14852   4.4801      180         4.6144      3.61502e-05 
1 1 1 14 29 1  o 17.0739 5.58579 -0.513822    1.12316   1.48062      1.25608   6.33367     61.2781     1.56923     61.2781     
1 1 1 14 29 2  o 16.6843 5.47223 1.16614      1.17792   -0.395093    1.13442   4.40246     51.1516     1.09336     51.1516     
1 1 1 14 29 3  o 23.917  6.80667 1.81988      1.29161   3.05274      1.35051   19.9168     320.201     8.93925     320.201     
1 1 1 14 29 4  o 15.5513 5.24098 -0.31654     1.1449    0.391244     1.19407   6.58161     88.3742     2.75365     268.374     
1 1 1 14 29 5  o 25.5849 6.41178 -0.125617    1.44667   4.60122      1.39377   22.8127     231.604     13.5741     231.604     
1 1 1 14 29 6  o 18.9085 5.1451  1.52522      0.804729  0.531337     0.650821  12.6633     130.792     2.69291     130.792     
1 1 1 14 29 7  o 11.5018 3.83711 -0.369214    0.573177  -0.159933    0.617533  1.0504      272.154     2.51411     92.1535     
1 1 1 14 29 8  o 16.0125 4.72625 1.03347      0.698781  -0.118681    0.720548  7.27407     21.1779     6.44625     201.178     
1 1 1 14 29 9  o 14.0558 4.36888 -0.970607    0.662135  0.907745     0.715675  4.92679     287.999     2.17119     107.999     
1 1 1 14 29 10 o 27.4814 5.73999 1.92091      0.88081   2.78574      0.904528  26.4431     211.998     11.1077     211.998     
1 1 1 14 29 11 o 15.2177 4.84359 0.836842     0.872711  -0.132149    0.7451    5.37403     135.544     0.388579    135.544     
1 1 1 14 29 12 o 14.234  4.57602 0.847561     0.779336  -1.67056     0.969745  5.61924     199.954     5.03837     19.9541     
1 1 1 14 29 13 o 14.074  4.60766 -0.490164    0.759448  0.613545     0.851423  5.06066     59.9781     1.10539     239.978     
1 1 1 14 29 14 o 25.4354 5.38708 3.3619       0.934105  0.715443     1.00546   22.9018     65.5037     6.90834     65.5037     
1 1 1 14 29 15 o 16.6793 5.20763 0.916917     0.799009  0.471623     1.03913   4.67173     65.3824     2.0074      65.3824     
1 1 1 14 29 16 o 14.5753 4.79852 0.236443     0.978858  0.205554     0.787714  3.73899     85.1594     0.73997     85.1594     
1 1 1 14 29 17 o 15.8228 4.91353 0.869567     0.786157  0.243437     0.794391  9.28379     138.748     0.128923    138.748     
1 1 1 14 29 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 29 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 30 0  o 9.67269 4.88611 -0.895601    1.10773   -0.895601    1.10773   0.131265    0.000241001 1.21756     180         
1 1 1 14 30 1  o 22.1891 6.64696 1.97153      1.34751   2.60917      1.32479   15.7573     272.867     9.13397     272.867     
1 1 1 14 30 2  o 16.9003 5.55575 1.36039      1.20344   -0.158495    1.21102   4.99843     115.359     1.96656     115.359     
1 1 1 14 30 3  o 15.7267 5.31175 -1.42608     1.1768    1.41657      1.29238   6.81131     219.995     0.99087     219.995     
1 1 1 14 30 4  o 13.0527 4.57025 -0.734137    1.18848   -1.14939     1.10873   4.26738     54.5704     4.38        234.57      
1 1 1 14 30 5  o 13.7917 4.79966 -0.21501     1.22701   -1.10653     1.17805   4.57724     293.695     7.86713     113.695     
1 1 1 14 30 6  o 19.3818 6.12017 1.74351      1.2531    1.32238      1.26329   11.6316     77.0044     5.67052     77.0044     
1 1 1 14 30 7  o 13.7002 4.64567 -1.22842     1.17932   0.254712     0.864788  5.29633     66.3945     1.6882      246.395     
1 1 1 14 30 8  o 11.6109 3.90602 -0.0320715   0.638156  -0.653727    0.669012  2.41213     312.321     2.27663     132.321     
1 1 1 14 30 9  o 16.9059 5.09321 1.03462      0.791642  0.518413     0.800355  10.8727     278.35      1.3227      278.35      
1 1 1 14 30 10 o 20.4345 5.2282  2.22518      0.842755  0.188444     0.860901  15.8485     352.365     9.34032     352.365     
1 1 1 14 30 11 o 35.6716 5.79085 3.41702      1.01949   4.40111      1.08461   37.2273     13.829      16.9625     13.829      
1 1 1 14 30 12 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 30 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 14 30 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 0  1  o 12.9395 5.16227 0.408446     0.528923  0.408446     0.528923  17.4373     90          39.2384     90          
1 1 1 15 0  2  o 33.3913 4.10041 2.22508      0.645646  2.22508      0.645646  9.1832      8.42155e-06 83.08       8.42156e-06 
1 1 1 15 0  3  o 177.457 2.32984 57.8386      2.14147   57.8386      2.14147   270.255     90          147.127     90          
1 1 1 15 0  4  o 139.135 2.33185 35.5789      1.67965   35.5789      1.67965   76.3937     180         155.503     8.65488e-06 
1 1 1 15 0  5  o 110.166 2.41561 22.3345      1.37645   22.3345      1.37645   133.752     90          23.5462     90          
1 1 1 15 0  6  o 93.4138 2.48356 16.0815      1.19872   16.0815      1.19872   130.322     180         54.0848     180         
1 1 1 15 0  7  o 46.8022 3.12046 4.12876      0.740651  4.12876      0.740651  37.9513     90          7.3696      90          
1 1 1 15 0  8  o 35.1045 3.85212 2.42218      0.650715  2.42218      0.650715  6.42552     180         83.0211     180         
1 1 1 15 0  9  o 15.4567 5.57138 0.646393     0.561239  0.646393     0.561239  1.04612     89.9994     2.52453     89.9994     
1 1 1 15 0  10 o 98.7531 2.4429  17.9632      1.24704   17.9632      1.24704   164.513     4.22415e-06 112.741     4.22415e-06 
1 1 1 15 0  11 o 138.356 2.35498 35.1897      1.68674   35.1897      1.68674   204.605     270         104.757     270         
1 1 1 15 0  12 o 69.0978 2.63718 8.84111      0.938244  8.84111      0.938244  29.4732     360         92.8616     180         
1 1 1 15 0  13 o 25.4601 5.28889 1.46372      0.606451  1.46372      0.606451  1.76976     270         14.6905     270         
1 1 1 15 0  14 o 164.823 2.34422 49.9175      2.00101   49.9175      2.00101   193.936     4.01836e-06 26.962      4.01836e-06 
1 1 1 15 0  15 f 11.1258 4.82465 0.186564     0.534493  0.186564     0.534493  4.27407     270         0           0           
1 1 1 15 0  16 o 120.641 2.39488 26.7773      1.49498   26.7773      1.49498   183.889     180         104.652     180         
1 1 1 15 0  17 o 79.2719 2.61948 11.6138      1.071     11.6138      1.071     111.026     90          49.6831     90          
1 1 1 15 0  18 o 90.695  2.5637  15.1761      1.20088   15.1761      1.20088   91.0702     1.63283e-06 14.7876     180         
1 1 1 15 0  19 o 36.2585 3.94396 2.58445      0.68917   2.58445      0.68917   26.479      90          7.84535     270         
1 1 1 15 0  20 o 11.7066 5.00201 0.244446     0.556352  0.244446     0.556352  63.2676     8.65161e-06 142.676     8.65161e-06 
1 1 1 15 0  21 o 105.003 2.50477 20.3207      1.35981   20.3207      1.35981   104.668     90          16.9102     270         
1 1 1 15 0  22 o 101.766 2.50569 19.0964      1.31814   19.0964      1.31814   78.4096     180         61.8339     8.6515e-06  
1 1 1 15 0  23 o 16.473  5.73548 0.742081     0.584623  0.742081     0.584623  3.62145     270         10.4782     270         
1 1 1 15 0  24 o 18.516  5.88125 0.92155      0.60314   0.92155      0.60314   17.5262     360         60.2664     360         
1 1 1 15 0  25 o 79.9207 2.63054 11.8281      1.08437   11.8281      1.08437   74.2493     270         21.6328     90          
1 1 1 15 0  26 o 25.919  5.99916 1.59324      0.714295  1.59324      0.714295  13.3695     6.60724e-11 21.0624     180         
1 1 1 15 0  27 o 88.6866 3.0142  14.6138      1.37835   14.6138      1.37835   78.077      270         31.3508     90          
1 1 1 15 0  28 o 13.0987 5.27885 0.422474     0.560672  0.422474     0.560672  0.347032    180         1.64129     180         
1 1 1 15 0  29 o 68.9958 2.72448 8.86899      0.967398  8.86899      0.967398  97.2446     270         49.6866     270         
1 1 1 15 0  30 o 77.1696 2.66804 11.0781      1.06141   11.0781      1.06141   73.9646     180         13.4007     8.6514e-06  
1 1 1 15 0  31 o 10.2862 4.6002  0.0946434    0.525586  0.0946434    0.525586  7.78399     270         23.6638     270         
1 1 1 15 0  32 o 8.44809 4.05175 -0.255944    0.531061  -0.255944    0.531061  3.32224     8.65239e-06 9.03726     8.65239e-06 
1 1 1 15 0  33 o 58.3715 3.14988 6.45386      0.939985  6.45386      0.939985  54.6899     90          11.1433     270         
1 1 1 15 0  34 o 26.1836 5.3226  1.58143      0.626317  1.58143      0.626317  27.5693     180         1.99399     180         
1 1 1 15 0  35 o 13.2409 5.49759 0.42747      0.636778  0.42747      0.636778  2.9415      270         15.0239     90          
1 1 1 15 0  36 o 21.3718 5.60913 1.17298      0.57698   1.17298      0.57698   18.3477     2.18579e-10 6.42002     180         
1 1 1 15 0  37 o 41.9626 3.50816 3.44786      0.735075  3.44786      0.735075  47.5302     270         9.999       270         
1 1 1 15 0  38 o 5.58075 2.87173 -1.02004     0.476399  -1.02004     0.476399  7.67377     180         19.8584     180         
1 1 1 15 0  39 o 5.17445 2.68677 -1.29065     0.483716  -1.29065     0.483716  3.4831      90          8.7644      90          
1 1 1 15 0  40 o 7.62074 3.77956 -0.540061    0.566978  -0.540061    0.566978  1.00495     180         4.52841     180         
1 1 1 15 0  41 o 8.44426 4.07797 -0.27487     0.557754  -0.27487     0.557754  2.74932     270         15.068      270         
1 1 1 15 0  42 o 14.8024 5.71466 0.662798     0.623845  0.662798     0.623845  3.21232     180         22.1521     360         
1 1 1 15 0  43 o 23.5911 6.03377 1.4901       0.676919  1.4901       0.676919  30.2564     270         15.2398     270         
1 1 1 15 0  44 o 12.6435 5.47117 0.396862     0.684031  0.396862     0.684031  0.790941    8.65025e-06 25.7154     8.65029e-06 
1 1 1 15 0  45 o 54.6481 3.49664 5.96107      0.970921  5.96107      0.970921  44.5405     90          17.0163     270         
1 1 1 15 0  46 o 10.579  4.93374 0.0539643    0.695277  0.0539643    0.695277  0.901364    360         0.214458    180         
1 1 1 15 0  47 o 6.48068 3.32517 -1.10669     0.613401  -1.10669     0.613401  4.37735     270         15.5308     270         
1 1 1 15 0  48 o 14.8718 6.14495 0.800292     0.789151  0.800292     0.789151  3.86328     1.93649e-05 1.53769     1.93649e-05 
1 1 1 15 0  49 o 13.0853 5.64768 0.5664       0.724676  0.5664       0.724676  7.18987     270         0.632908    90          
1 1 1 15 0  50 o 7.552   3.79743 -0.643073    0.640797  -0.643073    0.640797  1.63265     360         9.96529     360         
1 1 1 15 0  51 o 13.2093 5.61961 0.63494      0.696039  0.63494      0.696039  2.85703     90.0001     0.232103    90.0001     
1 1 1 15 0  52 o 22.1467 6.82869 1.74678      0.81378   1.74678      0.81378   22.9803     4.6937e-06  6.37324     4.6937e-06  
1 1 1 15 0  53 o 7.13519 3.67504 -1.34771     0.790926  -1.34771     0.790926  4.21063     90          14.7999     90          
1 1 1 15 0  54 o 8.20504 4.07402 -0.384188    0.664435  -0.384188    0.664435  0.901238    8.65142e-06 8.41416     8.65142e-06 
1 1 1 15 0  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 1  0  f 124.384 2.34889 28.4475      1.51202   28.4475      1.51202   115.366     270         0           0           
1 1 1 15 1  1  o 103.249 2.42063 19.2658      1.29943   19.9505      1.28749   130.263     185.971     43.5713     185.971     
1 1 1 15 1  2  o 110.943 2.39654 22.8862      1.37689   22.3813      1.37619   107.465     238.361     23.1711     58.3609     
1 1 1 15 1  3  o 91.6828 2.46867 14.1016      1.15518   16.8958      1.18193   88.4303     274.866     16.4696     94.8657     
1 1 1 15 1  4  o 136.029 2.33714 32.145       1.64216   35.9114      1.64886   141.85      250.72      10.9846     70.7196     
1 1 1 15 1  5  o 48.9693 3.07847 3.82428      0.764231  5.11788      0.768764  38.1812     68.2179     5.94184     68.2179     
1 1 1 15 1  6  o 99.8584 2.41814 18.293       1.24803   18.3938      1.25166   101.011     108.658     9.67991     288.658     
1 1 1 15 1  7  o 102.146 2.42109 18.9826      1.27756   19.4059      1.28262   70.7635     113.087     77.4521     293.087     
1 1 1 15 1  8  o 60.6074 2.73499 7.20494      0.858767  6.37233      0.848749  63.7711     291.673     34.2935     291.673     
1 1 1 15 1  9  o 107.733 2.41223 23.6735      1.35849   19.1463      1.32422   116.285     88.2011     3.83708     88.2011     
1 1 1 15 1  10 f 134.154 2.33463 32.8869      1.62468   33.2508      1.62227   171.342     338.954     0           0           
1 1 1 15 1  11 o 63.0437 2.72972 7.02237      0.890798  7.65923      0.883032  69.5137     135.799     23.9341     135.799     
1 1 1 15 1  12 o 31.9906 3.9581  1.68002      0.63009   2.22494      0.62903   1.24029     193.508     49.156      193.508     
1 1 1 15 1  13 o 101.636 2.43064 19.4294      1.28694   18.5937      1.27035   83.7452     121.998     48.6785     301.998     
1 1 1 15 1  14 o 180.023 2.34349 60.6441      2.1928    58.4869      2.18059   191.614     340.918     6.64836     160.918     
1 1 1 15 1  15 o 131.523 2.37477 31.8587      1.6221    31.7739      1.6133    100.783     32.0663     81.468      212.066     
1 1 1 15 1  16 o 91.0748 2.52258 14.6635      1.18462   15.9022      1.19133   109.516     276.198     29.9206     276.198     
1 1 1 15 1  17 o 119.709 2.43648 25.5591      1.51295   27.1969      1.50633   111.106     228.062     33.4802     48.062      
1 1 1 15 1  18 o 163.246 2.37057 49.1128      2.00612   48.8924      2.00585   149.298     266.212     52.5562     86.212      
1 1 1 15 1  19 o 77.2573 2.65393 11.8794      1.06401   10.1797      1.05129   57.4254     107.373     46.0008     287.373     
1 1 1 15 1  20 o 165.496 2.37794 49.8089      2.0378    50.968       2.04193   173.046     169.993     7.71202     349.993     
1 1 1 15 1  21 f 39.1365 3.69798 2.25291      0.705968  3.59265      0.725976  43.4217     149.487     0           0           
1 1 1 15 1  22 o 41.954  3.40452 3.4659       0.728388  3.13346      0.724036  32.7916     14.6967     4.80364     14.6967     
1 1 1 15 1  23 o 103.337 2.4972  20.8048      1.34843   18.6311      1.32119   109.869     102.711     4.58115     102.711     
1 1 1 15 1  24 o 21.254  4.68376 0.944753     0.567938  0.734325     0.580656  2.27705     354.685     19.6325     354.685     
1 1 1 15 1  25 o 38.9071 3.55023 2.71407      0.696175  3.00812      0.700941  28.7425     29.0673     13.8442     209.067     
1 1 1 15 1  26 o 108.119 2.6784  23.3009      1.51641   20.0699      1.47741   123.159     44.6955     20.288      44.6955     
1 1 1 15 1  27 o 89.0013 3.00754 15.5162      1.39731   14.008       1.36822   87.1107     148.635     11.2045     328.635     
1 1 1 15 1  28 o 75.2796 2.77994 9.42305      1.02918   11.7479      1.13175   91.0148     160.718     27.5164     160.718     
1 1 1 15 1  29 o 89.7041 2.60365 15.2196      1.20918   14.7246      1.20679   89.4535     35.4579     6.77307     215.458     
1 1 1 15 1  30 o 83.0107 2.70133 13.3367      1.19973   12.3972      1.11914   86.9308     198.508     3.17529     198.508     
1 1 1 15 1  31 o 14.2669 4.19696 -0.38224     0.541525  0.400772     0.54898   0.574169    343.367     11.0412     343.367     
1 1 1 15 1  32 o 37.5157 3.89725 2.87453      0.688839  2.61463      0.772206  34.2929     351.152     4.11107     171.152     
1 1 1 15 1  33 o 50.5801 3.30182 5.27922      0.861045  4.52843      0.847285  49.7943     11.1073     1.79183     191.107     
1 1 1 15 1  34 o 47.7335 3.63659 4.18922      0.903172  4.67406      0.861499  56.2163     149.002     17.9035     149.002     
1 1 1 15 1  35 o 15.6847 4.56351 0.518233     0.632446  -0.194403    0.610977  3.86832     333.769     17.7351     153.769     
1 1 1 15 1  36 o 27.8792 4.59486 1.36732      0.681754  1.85545      0.629537  25.0754     124.825     2.66003     304.825     
1 1 1 15 1  37 o 49.4862 3.33222 4.3724       0.858449  5.16299      0.819925  48.5179     279.183     1.43766     99.183      
1 1 1 15 1  38 o 23.9282 4.08049 2.23673      0.629376  0.102612     0.57971   16.8572     358.652     11.0539     178.652     
1 1 1 15 1  39 o 11.2697 3.76602 -0.641681    0.587642  -0.459159    0.572797  1.28132     152.354     11.7181     332.354     
1 1 1 15 1  40 o 27.7263 4.99089 1.93779      0.743846  1.4562       0.700842  23.0783     233.138     5.65901     53.1384     
1 1 1 15 1  41 o 20.297  4.94202 1.03779      0.623433  0.690356     0.654214  13.3653     289.714     8.99092     109.714     
1 1 1 15 1  42 o 28.045  4.80346 1.49058      0.679054  2.02415      0.709879  27.9432     305.023     4.46096     305.023     
1 1 1 15 1  43 o 13.2102 4.19724 -0.0605838   0.580556  -0.110102    0.619157  5.76394     338.453     7.39056     158.453     
1 1 1 15 1  44 o 14.5782 4.3554  0.530758     0.598518  -0.217342    0.584805  9.6588      232.47      0.698125    232.47      
1 1 1 15 1  45 o 29.7174 4.83844 2.18564      0.744039  1.98981      0.716219  24.6693     222.523     5.9328      42.5228     
1 1 1 15 1  46 o 16.3237 4.6393  0.0145418    0.627177  0.893253     0.64565   11.2166     148.208     4.36183     328.208     
1 1 1 15 1  47 o 20.5711 4.82097 1.71051      0.685758  0.332668     0.674123  14.3276     315.855     7.21197     135.855     
1 1 1 15 1  48 o 18.7737 5.26642 0.890968     0.758477  0.991368     0.769118  14.4498     344.329     0.81145     164.329     
1 1 1 15 1  49 f 20.7162 5.24849 1.35152      0.698773  1.13402      0.743366  12.6763     23.5755     0           0           
1 1 1 15 1  50 o 14.8207 4.59748 0.450355     0.67055   0.314797     0.687028  4.64316     93.7988     1.87026     93.7988     
1 1 1 15 1  51 o 11.8894 3.93958 -0.347116    0.607814  0.0337794    0.618597  2.61215     161.578     1.47946     341.578     
1 1 1 15 1  52 o 16.7881 4.75731 -0.349709    0.71424   1.54609      0.753096  9.52153     185.614     2.71062     185.614     
1 1 1 15 1  53 o 17.7425 5.64718 0.348269     1.09096   1.84027      1.14964   11.9497     192.687     2.93278     192.687     
1 1 1 15 1  54 o 15.2238 4.76213 0.519945     0.720815  0.70445      0.761281  9.11181     269.946     1.60432     89.9462     
1 1 1 15 1  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 2  0  o 10.4557 4.69533 0.0620688    0.554077  0.0620688    0.554077  2.52299     269.999     5.43106     269.999     
1 1 1 15 2  1  o 183.475 2.39515 58.2218      2.18321   65.5773      2.37396   174.627     59.5121     52.8166     239.512     
1 1 1 15 2  2  o 85.8934 2.61177 13.4086      1.11335   13.763       1.2061    95.9        342.272     14.3363     342.272     
1 1 1 15 2  3  o 62.6575 2.84718 7.20403      0.880612  7.2954       0.957819  41.7531     344.543     42.6895     164.543     
1 1 1 15 2  4  o 126.681 2.44938 28.6956      1.5443    30.3348      1.6696    98.1736     238.615     78.3248     58.6151     
1 1 1 15 2  5  o 41.7992 3.47286 2.86914      0.7003    3.6817       0.773888  9.85708     167.823     55.0906     347.823     
1 1 1 15 2  6  o 167.04  2.4014  51.1056      2.00314   51.4306      2.15317   189.233     176.807     14.9597     176.807     
1 1 1 15 2  7  o 168.914 2.31808 55.5413      2.03542   49.3841      2.01954   210.352     152.829     54.0071     152.829     
1 1 1 15 2  8  f 142.614 2.32435 36.641       1.7157    38.1016      1.72046   129.079     303.936     0           0           
1 1 1 15 2  9  o 123.133 2.36272 27.3272      1.50919   28.4383      1.50355   155.051     3.43273     48.0081     3.43273     
1 1 1 15 2  10 o 134.697 2.34381 34.2547      1.64233   32.4542      1.62872   110.973     212.335     69.118      32.335      
1 1 1 15 2  11 o 33.7205 3.74566 2.41683      0.629753  1.89419      0.629723  6.85054     109.705     12.6296     289.705     
1 1 1 15 2  12 o 21.7093 4.32047 1.44009      0.573103  0.26263      0.54939   14.5849     157.027     48.2556     157.027     
1 1 1 15 2  13 o 86.6524 2.53007 14.4569      1.13975   13.2145      1.127     108.239     337.978     39.6142     337.978     
1 1 1 15 2  14 o 142.182 2.35223 36.973       1.73434   37.3361      1.73286   157.883     135.513     10.327      135.513     
1 1 1 15 2  15 o 201.359 2.35871 73.3808      2.46088   75.6764      2.46256   210.675     61.441      14.848      241.441     
1 1 1 15 2  16 o 131.263 2.38363 32.5676      1.6263    30.8348      1.61411   99.9288     162.589     82.164      342.589     
1 1 1 15 2  17 o 43.2228 3.30779 3.86018      0.738269  3.12852      0.715392  34.3496     302.914     13.1801     302.914     
1 1 1 15 2  18 f 48.2295 3.16667 5.25794      0.79122   3.48391      0.753154  53.5657     229.51      0           0           
1 1 1 15 2  19 o 49.768  3.07233 5.00613      0.791257  4.21323      0.774486  44.5432     270.27      3.68862     90.2698     
1 1 1 15 2  20 o 82.2598 2.57261 12.3896      1.09331   12.5739      1.09516   72.452      146.257     25.7781     326.257     
1 1 1 15 2  21 o 130.541 2.41673 29.1855      1.62312   33.6485      1.64075   110.771     51.3775     55.4124     231.378     
1 1 1 15 2  22 f 85.9436 2.57806 13.1288      1.13841   14.1522      1.15265   101.754     100.858     0           0           
1 1 1 15 2  23 f 46.3944 3.17847 3.94227      0.743114  4.09388      0.766594  64.4627     33.6255     0           0           
1 1 1 15 2  24 o 79.1909 2.60738 11.5942      1.06718   11.6041      1.06757   77.9565     81.1929     6.77147     261.193     
1 1 1 15 2  25 o 19.6564 4.63849 0.398623     0.579684  0.928011     0.565026  1.04856     299.204     17.0371     299.204     
1 1 1 15 2  26 o 59.0942 3.06927 5.90246      0.922131  7.16081      0.939524  39.7773     210.554     41.7087     30.5539     
1 1 1 15 2  27 o 15.6585 4.61782 0.253111     0.63162   -0.035272    0.623115  5.75943     270.906     31.7126     270.906     
1 1 1 15 2  28 o 25.3126 4.12261 0.00465577   0.634833  2.42078      0.651256  1.12738     332.699     44.9334     152.699     
1 1 1 15 2  29 o 14.8876 4.366   0.254402     0.594959  0.0150399    0.511927  5.14466     154.347     28.2477     154.347     
1 1 1 15 2  30 o 38.4274 3.92774 3.70141      0.784726  2.11244      0.70666   35.0743     42.2976     3.58402     222.298     
1 1 1 15 2  31 o 10.2625 3.37636 -1.45329     0.471796  -0.00111859  0.482499  10.19       225.038     30.0284     225.038     
1 1 1 15 2  32 o 39.9027 3.88862 3.10642      0.831352  3.09334      0.730163  41.7941     283.086     6.28181     283.086     
1 1 1 15 2  33 o 44.9535 3.7805  5.00717      0.814367  2.97132      0.843987  59.6676     110.955     32.4225     110.955     
1 1 1 15 2  34 o 64.4251 3.55914 8.29557      1.1151    7.75128      1.23315   74.5574     315.026     19.2014     315.026     
1 1 1 15 2  35 f 24.4844 5.20165 1.16154      0.757408  1.33864      0.677079  4.75978     323.989     0           0           
1 1 1 15 2  36 f 50.3789 3.29703 4.70901      0.82189   5.11951      0.880897  41.9431     330.063     0           0           
1 1 1 15 2  37 o 39.8303 3.64185 3.82942      0.723808  2.50081      0.713482  38.2935     150.202     1.74441     330.202     
1 1 1 15 2  38 o 24.0169 4.95304 1.29694      0.667091  1.1745       0.642376  26.6975     157.734     14.5018     157.734     
1 1 1 15 2  39 o 20.1902 4.80587 0.457596     0.638276  1.15362      0.611328  7.82075     8.13201     21.3119     188.132     
1 1 1 15 2  40 o 39.3529 3.85205 2.31618      0.724403  4.09465      0.755966  41.7064     211.484     7.53349     211.484     
1 1 1 15 2  41 o 18.183  4.84738 0.75766      0.61504   0.468376     0.644134  11.2397     4.82718     8.26611     184.827     
1 1 1 15 2  42 o 24.0215 4.96082 1.70955      0.678722  0.888493     0.687014  26.9398     272.205     14.9852     272.205     
1 1 1 15 2  43 o 15.0714 4.45908 0.368898     0.594664  0.15963      0.57671   5.21019     229.488     14.8346     49.4876     
1 1 1 15 2  44 o 24.3365 4.97432 1.56145      0.680255  1.25391      0.649669  28.3781     237.978     16.458      237.978     
1 1 1 15 2  45 o 24.7754 4.88046 1.05363      0.663363  1.93285      0.682984  26.7827     199.608     10.0649     199.608     
1 1 1 15 2  46 o 25.4833 5.02675 1.80659      0.695067  1.46921      0.689726  27.8968     10.8241     11.071      10.8241     
1 1 1 15 2  47 o 19.1399 5.02715 0.915587     0.66034   0.942937     0.669163  15.8418     205.926     0.400435    205.926     
1 1 1 15 2  48 o 29.0212 5.2282  1.34622      0.848546  3.36738      0.875302  30.3716     15.2632     9.61723     15.2631     
1 1 1 15 2  49 o 13.0201 4.1894  0.312453     0.649186  -0.295253    0.606442  6.12062     282.526     3.83508     102.526     
1 1 1 15 2  50 o 16.0481 4.65909 -0.1513      0.68706   1.12628      0.684892  9.07477     320.652     7.22772     140.652     
1 1 1 15 2  51 o 15.5486 4.623   -0.385343    0.714047  1.14595      0.708127  9.46305     327.211     1.87852     147.211     
1 1 1 15 2  52 o 12.918  4.20471 0.391806     0.667573  -0.374073    0.660707  3.69371     31.5351     2.44679     211.535     
1 1 1 15 2  53 o 14.8821 4.81567 0.110545     0.831976  0.69282      0.849918  6.66475     17.6508     0.645339    17.6508     
1 1 1 15 2  54 o 13.9827 4.54974 0.222709     0.730672  0.42148      0.785632  2.68796     137.099     0.655846    137.099     
1 1 1 15 2  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 3  0  o 62.9955 3.1323  7.39535      1.011     7.39535      1.011     26.7435     90          85.8098     270         
1 1 1 15 3  1  o 58.4754 3.20589 6.16578      0.965719  6.50028      0.961918  40.3667     38.6917     34.2314     218.692     
1 1 1 15 3  2  o 58.062  3.16711 5.66724      0.965066  6.84434      0.913378  50.3478     243.888     9.23417     63.8884     
1 1 1 15 3  3  o 47.7637 3.23781 4.97683      0.781295  3.55998      0.782247  35.6965     299.447     2.58242     119.447     
1 1 1 15 3  4  o 100.765 2.58163 19.0312      1.3368    18.3468      1.35487   85.0281     101.553     44.8875     281.553     
1 1 1 15 3  5  o 178.741 2.48816 61.5065      2.30353   55.9865      2.3033    200.861     324.732     12.1202     324.732     
1 1 1 15 3  6  o 101.025 2.59231 19.7417      1.35556   17.8549      1.35251   113.571     123.285     14.3161     123.285     
1 1 1 15 3  7  o 183.058 2.47988 64.7831      2.35135   58.4751      2.35034   188.136     314.212     22.8326     134.212     
1 1 1 15 3  8  f 78.3961 2.74653 11.3391      1.10247   11.3227      1.1227    76.1966     135.761     0           0           
1 1 1 15 3  9  o 39.3301 3.60243 2.97003      0.716029  2.82909      0.717879  9.44676     309.175     1.58175     129.175     
1 1 1 15 3  10 o 126.974 2.48428 31.0559      1.5753    28.2918      1.6822    140.147     45.9273     8.43661     45.9273     
1 1 1 15 3  11 o 22.2091 4.543   0.415225     0.549537  1.41974      0.626117  8.59602     337.994     30.8591     337.994     
1 1 1 15 3  12 o 157.113 2.33777 46.1679      1.91045   44.5649      1.89711   195.379     25.0516     52.5167     25.0516     
1 1 1 15 3  13 o 96.7217 2.46121 15.9656      1.2182    18.5216      1.24218   105.839     34.1137     8.76585     34.1137     
1 1 1 15 3  14 f 147.533 2.34934 41.6301      1.80259   38.4115      1.78906   142.363     352.41      0           0           
1 1 1 15 3  15 o 82.6713 2.55398 12.4506      1.09078   12.7359      1.09278   99.0347     265.575     28.7198     265.575     
1 1 1 15 3  16 o 85.1903 2.57388 14.9634      1.15159   11.8731      1.10924   83.3026     154.019     11.2825     334.019     
1 1 1 15 3  17 o 164.702 2.35081 51.6532      2.01744   48.1287      1.99539   231.201     305.218     110.159     305.218     
1 1 1 15 3  18 o 57.0981 2.87899 6.21632      0.856484  5.85754      0.836444  35.6598     280.618     43.8298     100.618     
1 1 1 15 3  19 o 123.692 2.40906 28.894       1.5498    27.4521      1.53603   166.465     202.054     72.7239     202.054     
1 1 1 15 3  20 o 35.636  3.79773 2.27911      0.690334  2.52759      0.666022  8.35998     113.557     46.1374     293.557     
1 1 1 15 3  21 o 69.188  2.73414 8.44741      0.983279  9.26393      0.967575  52.3705     352.237     36.2246     172.237     
1 1 1 15 3  22 o 61.259  2.96825 7.95388      0.971405  6.03542      0.897118  56.8765     233.805     6.32184     53.8051     
1 1 1 15 3  23 o 51.2094 3.09925 4.78997      0.836232  4.98089      0.79135   56.8443     142.367     26.4767     142.367     
1 1 1 15 3  24 o 126.498 2.52358 28.8133      1.69475   30.3016      1.60715   121.374     300.714     23.4056     120.714     
1 1 1 15 3  25 o 93.2399 2.74935 15.5658      1.31955   16.6635      1.33142   118.791     249.187     44.8568     249.187     
1 1 1 15 3  26 o 116.06  2.65586 25.3946      1.59926   24.535       1.59185   135.118     285.73      27.2084     285.73      
1 1 1 15 3  27 o 66.46   3.3172  7.61628      1.03754   8.97245      1.23512   77.3856     261.911     19.1397     261.911     
1 1 1 15 3  28 o 114.638 3.02452 23.8402      1.70895   25.226       1.87889   142.02      173.128     45.7119     173.128     
1 1 1 15 3  29 o 19.1414 4.47493 1.13915      0.579494  -0.0538614   0.603249  4.51963     48.4781     41.2411     48.4781     
1 1 1 15 3  30 o 37.0373 3.85153 2.25557      0.669323  3.08018      0.763615  29.7252     169.353     11.9749     349.353     
1 1 1 15 3  31 o 72.2446 2.71932 10.5536      1.03132   9.04124      0.995727  75.2969     6.41151     3.26533     6.4115      
1 1 1 15 3  32 o 56.3438 2.94825 6.62743      0.864201  5.4147       0.840706  55.829      224.336     1.94495     44.3362     
1 1 1 15 3  33 o 18.8186 4.60272 0.392377     0.587663  0.856865     0.540551  5.46848     355.753     1.49121     355.753     
1 1 1 15 3  34 o 62.7942 3.24727 8.17705      1.00365   6.97373      1.08066   84.1282     201.686     42.4917     201.686     
1 1 1 15 3  35 o 31.2609 5.31133 2.07341      0.841569  2.07814      0.858277  34.3817     196.309     10.3927     196.309     
1 1 1 15 3  36 o 27.1139 4.59315 1.1788       0.662115  1.88515      0.630721  17.9556     240.477     16.1255     60.4766     
1 1 1 15 3  37 o 67.5621 3.02991 8.70492      1.06915   8.85438      1.04158   82.5176     81.6983     30.0698     81.6983     
1 1 1 15 3  38 o 52.8714 3.27308 5.10749      0.913296  5.82467      0.852325  61.2448     80.3497     18.1206     80.3497     
1 1 1 15 3  39 o 27.339  4.67011 1.67895      0.672087  1.53363      0.636884  16.7866     83.6563     18.3593     263.656     
1 1 1 15 3  40 o 17.496  4.64374 0.762519     0.594048  0.323271     0.567114  12.2976     48.6701     3.40742     228.67      
1 1 1 15 3  41 o 41.6904 3.65503 3.0279       0.757624  4.06527      0.772415  35.3209     66.0414     10.0887     246.041     
1 1 1 15 3  42 o 25.2887 4.14177 2.80171      0.711607  -0.105868    0.665766  15.1808     198.171     16.8599     18.1714     
1 1 1 15 3  43 o 15.0945 4.49142 0.506264     0.616661  -0.0876908   0.61377   0.469509    353.99      27.4598     353.99      
1 1 1 15 3  44 o 27.137  4.85208 1.70894      0.683764  1.74286      0.681955  26.8015     170.851     4.1879      170.851     
1 1 1 15 3  45 o 12.089  3.93564 -0.212125    0.567996  -0.174523    0.57003   5.73513     251.227     4.19608     71.2271     
1 1 1 15 3  46 o 14.941  4.50514 0.358444     0.618149  0.264881     0.611852  10.6136     335.744     0.259855    155.744     
1 1 1 15 3  47 o 12.547  4.05967 -0.0432725   0.610235  -0.113463    0.574592  5.76352     71.8177     2.88594     251.818     
1 1 1 15 3  48 o 13.9086 4.47789 0.164911     0.718698  -0.0170687   0.701856  4.6113      249.13      0.788575    249.13      
1 1 1 15 3  49 o 23.5204 5.20017 1.99305      0.743195  1.1917       0.704949  21.5201     175.934     3.0768      175.934     
1 1 1 15 3  50 o 20.7859 5.3122  1.10027      0.741785  1.55906      0.747068  18.0932     28.6976     2.63611     28.6976     
1 1 1 15 3  51 o 11.4141 3.837   0.0553257    0.613904  -0.905657    0.671575  2.32575     86.2114     8.20859     266.211     
1 1 1 15 3  52 o 12.2617 4.05342 -0.537041    0.648285  0.248004     0.657035  2.52325     6.0635      2.13281     186.064     
1 1 1 15 3  53 f 19.4655 5.58897 1.51113      0.884309  1.31137      0.881133  9.9534      189.173     0           0           
1 1 1 15 3  54 o 15.8309 4.83977 0.0181409    0.732126  1.30671      0.799111  7.78726     142.255     8.51762     322.255     
1 1 1 15 3  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 4  0  o 124.106 2.73356 28.3569      1.75468   28.3569      1.75468   133.212     90          7.72177     270         
1 1 1 15 4  1  o 134.145 2.7247  31.1628      1.87577   35.1283      1.9061    134.662     353.462     20.4986     173.462     
1 1 1 15 4  2  o 11.846  3.83888 -0.178033    0.548929  -0.679394    0.533397  48.2482     126.474     105.674     126.474     
1 1 1 15 4  3  o 105.876 2.80803 19.8951      1.52957   21.4115      1.54615   108.977     214.066     7.07031     34.066      
1 1 1 15 4  4  o 80.6755 2.82273 13.0549      1.23484   10.991       1.11924   86.6404     257.519     8.44395     257.519     
1 1 1 15 4  5  o 94.0616 2.63829 16.8307      1.27949   15.763       1.28682   60.4424     242.307     79.3804     62.3074     
1 1 1 15 4  6  o 53.235  3.05205 4.75557      0.820045  5.76941      0.845841  41.8377     45.1218     13.8224     225.122     
1 1 1 15 4  7  o 48.4441 3.205   4.55834      0.791048  4.16429      0.798063  37.6962     140.607     1.802       140.607     
1 1 1 15 4  8  o 174.429 2.49785 57.0023      2.2556    54.8626      2.26064   232.391     6.26874     87.8527     6.26874     
1 1 1 15 4  9  o 78.9654 2.74109 11.6198      1.11016   11.3743      1.12663   93.5017     127.458     28.8001     127.458     
1 1 1 15 4  10 o 25.1829 4.68561 1.35955      0.621433  1.07405      0.622856  9.16267     139.717     43.4092     139.717     
1 1 1 15 4  11 o 76.3425 2.77081 10.0835      1.07703   11.4383      1.10694   85.4332     265.007     16.9188     265.007     
1 1 1 15 4  12 o 39.2547 3.74688 2.28328      0.711639  3.57934      0.749754  19.8492     21.8014     2.19008     201.801     
1 1 1 15 4  13 o 66.3897 2.83521 8.41314      0.933025  7.87245      1.00448   64.8931     151.611     2.91495     331.611     
1 1 1 15 4  14 o 18.1975 4.61446 0.392225     0.556584  0.633989     0.557159  11.1553     241.12      33.1409     241.12      
1 1 1 15 4  15 o 167.478 2.35574 52.2226      2.05353   50.9058      2.03661   184.966     91.3492     9.4468      91.3492     
1 1 1 15 4  16 o 91.0691 2.59649 14.6077      1.2558    15.9729      1.18432   93.5736     6.86292     3.79601     186.863     
1 1 1 15 4  17 o 116.327 2.49535 27.227       1.5626    22.7075      1.44245   133.355     2.73634     20.4075     2.73634     
1 1 1 15 4  18 o 83.2831 2.66618 13.1163      1.20043   12.4798      1.09525   83.8088     79.8386     4.91839     259.839     
1 1 1 15 4  19 o 43.9636 3.5493  3.84962      0.80593   3.39358      0.781418  34.8488     309.536     6.8746      129.536     
1 1 1 15 4  20 o 14.9452 4.3948  0.389212     0.610556  -0.376       0.567937  11.9478     12.9158     30.9353     12.9158     
1 1 1 15 4  21 o 42.3814 3.51489 3.33839      0.737084  3.40055      0.777662  21.4641     302.142     34.7441     122.142     
1 1 1 15 4  22 o 101.478 2.57393 18.8489      1.30562   19.1728      1.39699   77.3122     140.716     57.8077     320.716     
1 1 1 15 4  23 o 27.2329 4.10388 2.72427      0.643687  0.189337     0.643192  6.97312     341.621     60.2528     341.621     
1 1 1 15 4  24 o 125.194 2.43514 29.1693      1.58334   28.7212      1.57425   167.68      230.348     73.786      230.348     
1 1 1 15 4  25 o 89.4349 2.76188 15.5465      1.28351   14.141       1.2695    102.983     203.646     20.5217     203.646     
1 1 1 15 4  26 o 74.6441 2.84393 10.0175      1.10502   10.7218      1.08582   67.5734     209.864     19.5237     29.8643     
1 1 1 15 4  27 o 61.1085 3.23718 6.72915      1.01431   7.28449      1.02051   45.1674     79.7681     35.0946     259.768     
1 1 1 15 4  28 o 82.3935 3.01641 12.0742      1.28893   13.3321      1.27556   69.5518     116.66      31.2953     296.66      
1 1 1 15 4  29 o 100.275 2.54746 18.2025      1.32648   19.2335      1.31636   113.451     146.98      19.8348     146.98      
1 1 1 15 4  30 o 99.9891 2.55035 19.6693      1.33942   17.6465      1.29888   118.235     35.7487     30.7413     35.7487     
1 1 1 15 4  31 o 46.6182 3.16533 4.75918      0.763457  3.54656      0.736725  52.088      290.35      12.3798     290.35      
1 1 1 15 4  32 o 57.2301 2.89276 5.73518      0.85108   6.67272      0.849558  69.0832     30.5843     23.499      30.5843     
1 1 1 15 4  33 o 68.5318 2.78389 9.65104      0.99655   8.14259      0.969439  84.8886     230.125     31.3638     230.125     
1 1 1 15 4  34 o 88.3399 2.81776 14.0454      1.2716    15.5704      1.30104   103.824     342.817     28.3327     342.817     
1 1 1 15 4  35 o 62.0876 3.677   7.2971       1.12312   7.75216      1.22187   63.5014     186.065     2.16519     186.065     
1 1 1 15 4  36 o 58.7448 3.46499 5.86882      1.03457   7.61239      1.04079   60.0402     358.316     2.51728     358.316     
1 1 1 15 4  37 f 16.7011 4.64659 0.698025     0.654743  0.0710071    0.553653  7.65704     192.811     0           0           
1 1 1 15 4  38 o 27.987  4.4447  1.71278      0.63469   1.58614      0.623561  29.5944     146.997     7.47302     146.997     
1 1 1 15 4  39 o 38.8395 3.62585 3.19254      0.711208  2.87257      0.710937  42.3081     52.0168     9.69991     52.0168     
1 1 1 15 4  40 o 14.258  4.2731  0.289655     0.556714  -0.0264979   0.548629  6.94045     150.084     0.754164    330.084     
1 1 1 15 4  41 o 16.9004 4.59883 0.649837     0.578049  0.336242     0.569732  10.5627     99.2135     6.24123     279.214     
1 1 1 15 4  42 o 12.3548 3.95706 -0.0959207   0.557351  -0.209935    0.533732  4.82046     227.152     5.22393     47.1523     
1 1 1 15 4  43 o 26.0716 5.12046 1.65724      0.707463  1.55888      0.727092  31.6044     46.2338     19.9457     46.2338     
1 1 1 15 4  44 o 35.1088 4.36711 2.79924      0.747073  2.68998      0.782969  38.0414     244.141     10.3831     244.141     
1 1 1 15 4  45 o 26.304  5.03299 1.51599      0.709041  1.91639      0.705915  24.3958     141.575     1.10231     141.575     
1 1 1 15 4  46 o 15.2951 4.4739  0.801031     0.638363  -0.174248    0.593052  9.91572     16.3086     4.0317      196.309     
1 1 1 15 4  47 o 37.7552 4.32561 3.12662      0.814134  3.56029      0.817921  47.6264     211.477     26.6454     211.477     
1 1 1 15 4  48 o 12.6371 4.18145 0.0451223    0.702229  -0.466352    0.671297  5.16838     227.139     5.22477     47.1395     
1 1 1 15 4  49 o 12.5133 4.10788 -0.0275945   0.653758  -0.155486    0.623878  5.41293     311.865     2.76548     131.865     
1 1 1 15 4  50 f 13.2573 4.32188 0.134892     0.714419  -0.0176431   0.662821  6.97961     276.637     0           0           
1 1 1 15 4  51 o 15.935  4.72533 0.382309     0.681902  0.85569      0.660832  9.11751     118.313     1.65465     118.313     
1 1 1 15 4  52 f 15.1504 4.63099 0.209419     0.676207  0.777712     0.682512  5.85612     40.9882     0           0           
1 1 1 15 4  53 o 12.9829 4.34193 -0.203246    0.778543  0.130822     0.771407  5.08249     54.3203     4.54359     234.32      
1 1 1 15 4  54 o 10.8885 3.73166 -0.432868    0.664704  -0.436606    0.640648  2.67613     358.94      6.40524     178.94      
1 1 1 15 4  55 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 5  0  o 8.09688 3.89217 -0.27627     0.495796  -0.27627     0.495796  29.5815     90          61.748      90          
1 1 1 15 5  1  o 70.1189 2.85677 7.64716      1.02167   10.6242      1.02453   59.9981     131.186     21.9491     311.186     
1 1 1 15 5  2  o 51.5785 3.13253 5.6796       0.844331  4.24028      0.80512   22.596      0.318793    150.848     0.318793    
1 1 1 15 5  3  o 94.901  2.62889 16.6839      1.29806   16.4844      1.2834    81.9726     117.226     36.6397     297.226     
1 1 1 15 5  4  f 44.4077 3.37336 4.09232      0.784575  3.27971      0.740424  103.7       209.221     0           0           
1 1 1 15 5  5  o 81.0286 2.7098  12.1631      1.1407    12.0398      1.12919   47.769      118.243     74.5803     298.243     
1 1 1 15 5  6  o 56.8733 2.91277 6.70269      0.902401  5.30411      0.803177  32.9132     274.747     46.2088     94.7466     
1 1 1 15 5  7  o 57.3187 2.77185 5.99509      0.81775   6.14831      0.819377  58.8239     37.5336     24.6786     37.5336     
1 1 1 15 5  8  o 272.415 2.41039 134.634      3.40806   138.158      3.39877   327.845     307.817     61.3051     307.817     
1 1 1 15 5  9  o 21.5962 4.68987 0.669975     0.601868  1.03582      0.566413  1.92601     112.754     6.93912     112.754     
1 1 1 15 5  10 o 161.111 2.50346 47.2684      2.22057   48.1751      1.94921   204.354     252.605     62.0562     252.605     
1 1 1 15 5  11 o 23.8085 4.78632 0.60826      0.679212  1.47779      0.623751  7.5464      335.91      35.9992     335.91      
1 1 1 15 5  12 o 114.501 2.71612 26.2721      1.67424   22.1104      1.54491   102.229     305.663     39.9001     125.663     
1 1 1 15 5  13 o 190.326 2.73072 67.6188      2.68794   65.6878      2.69957   213.614     67.7622     16.2228     67.7622     
1 1 1 15 5  14 o 81.6131 2.92542 13.6683      1.18725   10.995       1.25909   18.1995     182.991     136.537     2.99131     
1 1 1 15 5  15 o 21.6822 4.99377 0.538827     0.620667  1.13279      0.693042  7.0286      249.312     33.9153     249.312     
1 1 1 15 5  16 o 141.827 2.6014  37.5609      1.76689   36.5         2.04142   146.66      142.036     9.84255     322.036     
1 1 1 15 5  17 o 169.216 2.36674 52.9717      2.07981   52.3617      2.07213   198.442     160.338     35.0004     160.338     
1 1 1 15 5  18 o 123.8   2.42632 28.171       1.5578    28.2733      1.55327   144.52      85.6555     27.6531     85.6555     
1 1 1 15 5  19 o 113.461 2.45113 25.2382      1.45247   22.2431      1.42459   143.057     72.458      49.1054     72.458      
1 1 1 15 5  20 o 56.4239 2.87357 6.38952      0.844687  5.43573      0.822247  27.0876     48.9846     58.8332     228.985     
1 1 1 15 5  21 o 185.94  2.39364 64.6812      2.32176   62.6933      2.29235   224.315     28.4239     54.4387     28.4239     
1 1 1 15 5  22 o 53.0627 2.97184 4.70976      0.810875  5.79151      0.802201  58.6759     13.0039     20.3351     13.0039     
1 1 1 15 5  23 o 83.6681 2.59023 12.2273      1.11426   13.6912      1.12485   71.386      8.26077     30.6216     188.261     
1 1 1 15 5  24 o 165.329 2.57562 48.655       2.1996    52.4045      2.21316   195.85      296.343     43.364      296.343     
1 1 1 15 5  25 o 61.4204 3.03446 6.42395      0.952241  7.68138      0.962365  73.6733     241.527     23.1075     241.527     
1 1 1 15 5  26 o 115.414 2.83524 25.6391      1.69987   23.9025      1.68623   130.142     177.589     19.3285     177.589     
1 1 1 15 5  27 o 60.4679 3.21801 6.84053      1.01368   6.8909       0.988527  68.3224     285.24      14.3745     285.24      
1 1 1 15 5  28 o 97.9211 2.73352 16.7726      1.37914   19.0081      1.38657   132.756     169.641     64.073      169.641     
1 1 1 15 5  29 o 18.2813 4.46316 0.925127     0.568322  0.182491     0.517784  1.88312     88.3793     32.649      88.3793     
1 1 1 15 5  30 o 35.211  3.74067 2.66281      0.664155  2.15473      0.653972  37.3345     311.456     9.4493      311.456     
1 1 1 15 5  31 o 91.0096 2.60072 16.4013      1.2367    14.6593      1.21039   102.472     87.1671     18.714      87.1671     
1 1 1 15 5  32 o 22.2838 4.3124  0.364405     0.566881  1.57392      0.568652  15.5286     316.38      7.23146     136.38      
1 1 1 15 5  33 o 28.7205 4.32684 2.46584      0.630908  0.962142     0.647388  25.1667     81.5737     3.61324     261.574     
1 1 1 15 5  34 o 62.6182 3.05814 7.71533      0.985329  7.29353      0.986996  69.3081     264.501     12.6586     264.501     
1 1 1 15 5  35 o 36.335  4.51173 2.29668      0.834771  3.11394      0.786433  33.3368     338.611     4.43868     158.611     
1 1 1 15 5  36 o 65.326  3.19194 7.17184      1.01935   9.37378      1.12561   58.2333     214.198     14.5123     34.1983     
1 1 1 15 5  37 o 57.8932 3.2602  6.63505      0.965365  6.42303      0.974754  65.8238     95.5498     16.8419     95.5498     
1 1 1 15 5  38 o 11.9347 3.84541 -0.0171838   0.565459  -0.486889    0.489243  3.27408     196.579     6.17601     16.5791     
1 1 1 15 5  39 o 14.9835 4.17773 -0.404293    0.54319   0.695953     0.538964  6.49711     326.557     10.9327     146.557     
1 1 1 15 5  40 o 34.0824 4.13315 2.32622      0.71298   2.53381      0.693027  28.5162     178.986     8.12224     358.986     
1 1 1 15 5  41 o 13.2234 4.05045 -0.636889    0.532201  0.417092     0.572806  4.45297     214.672     0.401348    34.6723     
1 1 1 15 5  42 o 13.4763 4.15489 0.180858     0.560946  -0.0761634   0.535866  7.0554      334.858     2.40366     154.858     
1 1 1 15 5  43 o 19.3137 4.51598 -0.0202287   0.622849  1.43972      0.621838  16.7859     7.49708     1.00853     7.49707     
1 1 1 15 5  44 o 13.0415 4.16656 -0.292899    0.603095  0.106164     0.609008  4.57503     203.868     11.3887     23.8681     
1 1 1 15 5  45 o 18.6678 4.84553 0.52559      0.629129  1.0854       0.635005  15.3483     279.534     0.722889    99.5343     
1 1 1 15 5  46 o 38.9051 4.26252 4.35854      0.835737  2.66077      0.792136  37.1038     219.28      1.53989     219.28      
1 1 1 15 5  47 o 22.9427 5.41082 1.36756      0.842253  1.6102       0.701965  22.8475     41.8787     8.18643     41.8787     
1 1 1 15 5  48 o 15.6578 4.83301 0.491752     0.754884  0.412008     0.725876  10.0702     320.172     2.11869     140.172     
1 1 1 15 5  49 o 18.2087 5.08815 0.796675     0.734895  1.06034      0.69864   14.5669     168.858     1.27343     168.858     
1 1 1 15 5  50 o 14.5302 4.45293 0.751164     0.658624  -0.0543683   0.622861  7.81225     215.033     4.12685     35.0328     
1 1 1 15 5  51 o 18.7229 5.04802 1.64976      0.760777  0.448865     0.693166  13.4107     209.816     1.14961     29.8155     
1 1 1 15 5  52 o 22.2441 5.30838 1.57332      0.739269  1.59791      0.713668  18.9704     131.581     2.6363      131.581     
1 1 1 15 5  53 o 14.6513 4.70051 -0.034629    0.812256  0.800044     0.781709  6.66651     290.94      1.07772     290.94      
1 1 1 15 5  54 o 12.9605 4.25676 0.413664     0.702633  -0.25546     0.691594  6.10926     115.881     1.49413     295.881     
1 1 1 15 6  0  o 156.85  2.32167 45.2047      1.88576   45.2047      1.88576   66.1394     270         212.41      90          
1 1 1 15 6  1  o 187.978 2.31164 63.5459      2.24889   66.3195      2.2554    200.282     86.1985     7.86511     266.199     
1 1 1 15 6  2  o 73.7107 2.72784 9.37266      1.02013   10.6892      1.05574   67.7484     204.883     14.2664     24.883      
1 1 1 15 6  3  o 107.925 2.65578 22.0935      1.53486   20.8059      1.43239   125.219     26.6671     22.8729     26.6671     
1 1 1 15 6  4  o 227.449 2.73603 96.6786      3.49043   93.6426      2.94593   298.758     170.911     103.019     170.911     
1 1 1 15 6  5  o 77.0516 2.88548 10.5606      1.19291   11.3565      1.09682   29.6167     157.348     102.677     337.348     
1 1 1 15 6  6  o 85.7796 2.92976 13.77        1.3269    13.378       1.27081   77.9299     84.664      22.9928     264.664     
1 1 1 15 6  7  o 59.6177 2.95745 6.05295      0.911787  7.11653      0.898395  46.9356     165.498     23.3576     345.498     
1 1 1 15 6  8  o 111.793 2.47654 22.7874      1.39152   23.2085      1.47465   120.364     119.377     3.52942     119.377     
1 1 1 15 6  9  o 73.1167 2.70072 8.50523      0.978837  11.316       1.0547    64.6066     349.51      20.5253     169.51      
1 1 1 15 6  10 o 147.596 2.42675 39.9068      1.80159   40.1847      1.91045   190.342     209.661     64.8736     209.661     
1 1 1 15 6  11 o 83.8601 2.53774 13.366       1.11004   12.551       1.09085   82.7273     61.4568     8.82025     241.457     
1 1 1 15 6  12 o 49.6847 3.07804 4.94622      0.795916  4.2308       0.771331  11.5633     272.37      76.3312     92.3695     
1 1 1 15 6  13 o 26.0268 4.54581 0.960352     0.653912  1.63727      0.589482  17.8936     262.019     78.6933     262.019     
1 1 1 15 6  14 o 126.228 2.58635 30.571       1.68836   28.131       1.69033   186.314     135.265     107.069     135.265     
1 1 1 15 6  15 o 65.721  2.99521 8.1662       1.01068   7.8185       1.01862   56.1353     339.708     21.316      159.708     
1 1 1 15 6  16 o 109.028 2.67207 23.8104      1.51175   20.0917      1.49686   116.595     201.185     3.46126     201.185     
1 1 1 15 6  17 o 57.3479 3.14008 6.51384      0.92541   5.7059       0.923639  27.6985     301.829     60.4707     121.829     
1 1 1 15 6  18 o 59.412  2.95472 5.69718      0.857933  7.44387      0.947629  65.3339     200.123     18.0257     200.123     
1 1 1 15 6  19 o 118.784 2.4385  26.6247      1.50822   25.387       1.49122   113.233     286.35      23.505      106.35      
1 1 1 15 6  20 o 101.979 2.49083 19.5086      1.32969   18.8646      1.29981   135.615     142.069     62.1889     142.069     
1 1 1 15 6  21 o 138.288 2.41077 37.5792      1.74873   33.006       1.70311   161.211     40.5599     31.7031     40.56       
1 1 1 15 6  22 o 54.9982 2.91078 5.85517      0.835604  5.39876      0.811749  35.2686     220.33      39.7933     40.3297     
1 1 1 15 6  23 o 137.147 2.51702 36.7699      1.74194   32.7882      1.8245    132.826     342.617     22.8761     162.617     
1 1 1 15 6  24 o 132.54  2.7063  34.2783      1.93313   30.8688      1.78262   144.644     222.758     11.1239     222.758     
1 1 1 15 6  25 o 72.1457 3.05375 9.19061      1.13528   10.2506      1.13555   75.4385     277.807     2.33403     277.807     
1 1 1 15 6  26 o 83.3045 2.74934 13.965       1.20166   11.9073      1.16313   75.3751     248.925     21.7534     68.9249     
1 1 1 15 6  27 o 62.7599 3.04734 6.39467      0.979879  8.44569      0.973852  61.4106     36.8586     4.90425     216.859     
1 1 1 15 6  28 o 89.5673 2.78844 15.4379      1.30896   14.5431      1.27387   74.9487     63.2641     34.8997     243.264     
1 1 1 15 6  29 o 56.355  2.91747 6.15549      0.849262  5.79831      0.842985  69.2669     327.924     26.3948     327.924     
1 1 1 15 6  30 o 61.7375 2.80413 7.29933      0.905111  7.04499      0.880223  59.0964     21.4661     6.87173     201.466     
1 1 1 15 6  31 o 52.0178 2.99949 5.63759      0.819268  4.65745      0.781437  58.6001     323.325     13.4168     323.325     
1 1 1 15 6  32 o 52.4888 3.02396 5.77203      0.823401  4.75403      0.803137  54.506      318.435     3.85281     318.435     
1 1 1 15 6  33 o 42.9608 3.60482 3.63632      0.789738  3.57228      0.784509  30.9503     240.305     23.7487     60.3046     
1 1 1 15 6  34 o 53.8178 3.42289 6.30325      0.963547  4.96412      0.918986  56.9357     330.936     6.29098     330.936     
1 1 1 15 6  35 f 46.3502 3.89729 4.62088      0.959677  3.91116      0.876488  47.6024     179.594     0           0           
1 1 1 15 6  36 o 39.3034 3.59207 3.03613      0.729183  3.07586      0.699463  52.1267     0.660378    28.9455     0.660378    
1 1 1 15 6  37 o 31.6145 4.31885 2.90453      0.667015  1.34704      0.685794  41.4404     97.8806     25.7791     97.8806     
1 1 1 15 6  38 o 17.25   4.52638 -0.168114    0.603227  0.969682     0.606154  10.9731     108.939     4.55233     108.939     
1 1 1 15 6  39 o 23.3039 4.85794 1.16632      0.627147  1.21463      0.626459  23.9767     205.865     8.33578     205.865     
1 1 1 15 6  40 o 11.5201 3.76563 -0.381417    0.52915   -0.235941    0.529401  2.69539     205.937     7.42097     25.9367     
1 1 1 15 6  41 o 19.2722 4.58726 0.262398     0.594482  1.21107      0.589646  16.6295     252.475     1.6473      252.475     
1 1 1 15 6  42 o 18.3241 4.77912 0.938286     0.620445  0.424338     0.60662   9.85455     157.225     12.3156     337.225     
1 1 1 15 6  43 o 16.355  4.37878 1.02129      0.603866  -0.276422    0.563477  12.2872     132.452     1.30777     312.452     
1 1 1 15 6  44 o 10.8904 3.63902 -0.495048    0.553602  -0.331044    0.529913  3.87935     202.089     3.41169     22.0885     
1 1 1 15 6  45 o 15.191  4.60257 0.158258     0.630207  0.472981     0.669215  10.1436     107.244     3.05828     287.244     
1 1 1 15 6  46 o 21.9755 4.90043 0.807549     0.664964  1.67281      0.655741  23.1484     350.968     11.6445     350.968     
1 1 1 15 6  47 o 29.388  5.4239  3.00286      0.871097  1.83253      0.847643  28.5279     25.4511     4.87652     25.4511     
1 1 1 15 6  48 o 18.0712 5.2128  0.611719     0.743029  1.16529      0.811184  13.1635     279.447     2.03183     99.4468     
1 1 1 15 6  49 o 21.6224 4.74229 2.2709       0.737705  0.292885     0.672575  22.245      32.9207     11.3961     32.9207     
1 1 1 15 6  50 o 13.469  4.30013 0.334297     0.658427  0.0267201    0.62005   5.92636     297.285     3.82777     117.285     
1 1 1 15 6  51 o 15.0616 4.34373 -0.558977    0.662479  1.09942      0.618597  7.78151     84.5612     1.0701      264.561     
1 1 1 15 6  52 o 24.2354 5.76018 1.44618      0.763811  2.78864      0.972606  22.5156     59.6441     6.27566     59.6441     
1 1 1 15 6  53 o 14.568  4.81329 1.27852      1.00281   -0.684419    0.800018  4.76542     108.542     1.27036     108.542     
1 1 1 15 6  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 7  0  o 171.077 2.47651 53.7864      2.19408   53.7864      2.19408   164.937     90          44.8224     270         
1 1 1 15 7  1  o 176.977 2.58239 56.5529      2.26954   58.6382      2.46735   199.358     77.587      16.0029     77.5871     
1 1 1 15 7  2  o 46.093  3.33698 4.56514      0.735767  3.39023      0.805972  25.0863     200.354     33.8606     20.3537     
1 1 1 15 7  3  o 149.974 2.48316 41.153       1.81234   41.5427      2.04259   179.137     152.096     36.1733     152.096     
1 1 1 15 7  4  o 114.62  2.55853 23.555       1.42131   24.8133      1.61323   146.639     35.3943     51.7852     35.3943     
1 1 1 15 7  5  o 102.071 2.68722 18.2977      1.38615   20.1023      1.45244   102.919     178.546     9.66684     358.546     
1 1 1 15 7  6  o 109.548 2.59605 21.1746      1.47694   23.0316      1.46469   123.017     180.702     14.4542     180.702     
1 1 1 15 7  7  o 14.7379 4.23614 0.493258     0.579053  -0.451993    0.519003  34.9288     235.056     83.6687     235.056     
1 1 1 15 7  8  o 178.54  2.42837 57.9321      2.33316   59.2683      2.15585   207.612     301.195     30.276      301.195     
1 1 1 15 7  9  o 72.7592 2.57945 9.94852      0.982301  9.57343      0.95724   98.0529     87.0979     58.3515     87.0979     
1 1 1 15 7  10 o 125.428 2.37995 27.7414      1.54996   30.1647      1.53943   107.334     174.689     53.6941     354.689     
1 1 1 15 7  11 o 10.7853 3.54717 -0.412847    0.501098  -0.450304    0.45691   14.1873     222.29      31.7812     222.29      
1 1 1 15 7  12 o 20.5702 4.61899 0.799621     0.559696  0.74365      0.547076  18.5356     68.9748     63.5139     68.9748     
1 1 1 15 7  13 o 45.4416 3.19519 3.36852      0.735406  4.3517       0.739352  41.1348     237.105     4.32213     237.105     
1 1 1 15 7  14 o 151.445 2.36295 44.6325      1.87618   39.7964      1.8315    209.862     22.7879     98.1607     22.7879     
1 1 1 15 7  15 o 211.85  2.38684 83.8016      2.63566   81.3263      2.60645   262.447     305.412     71.1545     305.412     
1 1 1 15 7  16 o 109.802 2.52136 22.7196      1.4939    21.7167      1.37203   98.8557     318.807     33.7241     138.806     
1 1 1 15 7  17 o 144.041 2.57689 38.1803      1.91618   38.2863      1.92879   184.37      211.096     64.8205     211.096     
1 1 1 15 7  18 o 96.6242 2.69866 18.3952      1.34976   16.1168      1.34402   134.682     35.5251     73.4948     35.5251     
1 1 1 15 7  19 o 151.263 2.50004 42.828       1.89163   41.5042      2.02411   146.54      184.01      26.6452     4.00972     
1 1 1 15 7  20 o 28.1187 4.2847  1.32434      0.604294  1.74301      0.609686  6.36537     48.6901     8.15813     228.69      
1 1 1 15 7  21 o 58.0572 2.82204 6.78559      0.860632  5.75375      0.825592  71.259      327.676     32.4523     327.676     
1 1 1 15 7  22 o 10.6184 3.45462 -0.0606755   0.463931  -0.880695    0.45534   11.0649     123.446     27.0002     123.446     
1 1 1 15 7  23 o 30.8452 4.45279 1.41779      0.685104  2.32361      0.69177   23.734      13.812      4.76265     193.812     
1 1 1 15 7  24 o 64.6827 3.11692 9.65903      1.06365   6.17063      0.987926  87.3202     331.39      44.5249     331.39      
1 1 1 15 7  25 o 86.9601 2.76473 12.6256      1.16678   15.594       1.3204    102.426     305.621     25.3649     305.621     
1 1 1 15 7  26 o 75.315  2.66238 9.09646      1.01761   12.142       1.04075   75.9544     145.656     2.75023     325.656     
1 1 1 15 7  27 o 34.6829 3.86662 2.80492      0.71287   1.89079      0.626752  24.998      111.37      16.2077     291.37      
1 1 1 15 7  28 o 70.1822 2.93585 10.1524      1.0898    8.38634      1.03379   74.1297     205.484     5.47721     205.484     
1 1 1 15 7  29 o 24.5022 4.25344 1.80305      0.584657  0.621564     0.549615  8.94846     317.44      26.8207     137.44      
1 1 1 15 7  30 o 46.5591 3.22568 5.24163      0.776055  3.16217      0.728581  50.2562     356.315     8.46256     356.315     
1 1 1 15 7  31 o 11.4077 3.64642 -0.474497    0.486651  -0.0441656   0.454975  5.47054     16.8845     25.8176     16.8845     
1 1 1 15 7  32 o 22.1453 4.56924 0.774615     0.566167  1.21437      0.565429  19.108      4.18693     1.73394     4.18693     
1 1 1 15 7  33 o 14.2146 4.16282 -0.579746    0.580976  0.486612     0.537513  4.73337     278.921     10.4248     98.9214     
1 1 1 15 7  34 o 42.9937 3.7527  3.61647      0.830789  3.67115      0.805788  53.3108     225.584     22.4599     225.584     
1 1 1 15 7  35 o 55.7647 3.33789 4.85426      0.931929  7.34844      0.944367  68.7385     94.6163     26.9543     94.6163     
1 1 1 15 7  36 o 41.9845 3.45919 3.59226      0.757245  3.36297      0.720385  47.7559     324.941     13.7069     324.941     
1 1 1 15 7  37 o 54.1692 3.08387 6.26281      0.865151  5.19176      0.846987  60.7226     102.04      14.8686     102.04      
1 1 1 15 7  38 o 15.4267 4.43241 0.494698     0.555723  0.0213318    0.585265  7.437       322.872     9.61304     142.872     
1 1 1 15 7  39 o 20.581  4.43076 -0.0933001   0.624652  1.64114      0.637067  19.1551     353.271     4.4282      353.271     
1 1 1 15 7  40 f 33.6503 4.21987 2.27548      0.715288  2.52372      0.7012    27.2078     182.268     0           0           
1 1 1 15 7  41 o 16.1865 4.48086 0.0465641    0.574669  0.73918      0.575112  11.946      179.926     2.79805     179.926     
1 1 1 15 7  42 o 14.6485 4.15765 0.792144     0.579959  -0.536861    0.522604  8.08853     81.6306     7.01108     261.631     
1 1 1 15 7  43 o 19.6054 4.90191 1.02381      0.629054  0.753363     0.622635  19.3004     88.232      10.4612     88.2321     
1 1 1 15 7  44 o 13.2999 3.88802 0.825852     0.581794  -1.30835     0.503885  3.87279     44.9519     1.49328     44.9519     
1 1 1 15 7  45 o 14.4482 4.43448 0.419913     0.622995  0.00889084   0.625311  9.29006     114.599     1.23839     114.599     
1 1 1 15 7  46 o 14.3254 4.27629 -0.740239    0.584272  0.886237     0.652264  6.01604     278.94      1.65293     278.94      
1 1 1 15 7  47 o 12.9387 4.16585 -1.7723      0.71021   0.664874     0.702927  4.84543     95.6842     8.4223      275.684     
1 1 1 15 7  48 o 18.3785 4.99719 0.378664     0.678648  1.4324       0.739567  12.6357     333.884     4.59109     153.884     
1 1 1 15 7  49 o 15.4039 4.73335 0.602524     0.67058   0.39105      0.749903  8.12238     11.086      6.82284     191.086     
1 1 1 15 7  50 f 22.5794 5.37759 1.50414      0.808945  1.73542      0.709058  6.7653      98.2398     0           0           
1 1 1 15 7  51 o 12.3148 4.0588  -0.00131734  0.630046  -0.104723    0.638335  3.52117     331.818     4.90597     151.818     
1 1 1 15 7  52 o 12.3453 4.14153 0.021472     0.730064  -0.276156    0.695921  3.90935     133.483     2.42078     313.483     
1 1 1 15 7  53 o 12.9061 4.27089 -0.339583    0.723266  0.377966     0.724762  3.44244     40.6842     0.213824    40.6842     
1 1 1 15 7  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 8  0  o 23.4233 5.35256 1.28185      0.574091  1.28185      0.574091  3.20438     270         18.1112     270         
1 1 1 15 8  1  o 23.305  4.40864 0.721199     0.551638  1.35238      0.560837  28.9377     316.117     93.2791     316.117     
1 1 1 15 8  2  o 52.8354 2.85156 5.08993      0.769354  5.24448      0.780794  46.2961     322.737     5.58935     142.737     
1 1 1 15 8  3  o 29.5876 4.04583 0.761923     0.598276  2.75937      0.605009  3.12336     134.849     26.9196     314.849     
1 1 1 15 8  4  o 66.6083 2.74758 8.63632      0.981951  7.7559       0.907611  72.3536     320.39      13.6633     320.39      
1 1 1 15 8  5  o 147.885 2.50977 38.7572      1.9053    41.6939      1.94178   143.968     133.767     29.735      313.767     
1 1 1 15 8  6  o 46.6871 3.51673 4.3102       0.886827  3.82734      0.789901  40.8284     247.066     4.97116     247.066     
1 1 1 15 8  7  o 48.467  3.43317 4.09831      0.879796  4.66031      0.811979  27.3411     146.383     16.4855     146.383     
1 1 1 15 8  8  o 56.3948 3.33922 5.46971      0.982134  6.35572      0.943869  41.2702     236.582     29.4229     56.5818     
1 1 1 15 8  9  o 171.031 2.42093 52.9199      2.08322   54.6556      2.20911   186.071     138.271     4.73324     138.271     
1 1 1 15 8  10 o 79.0099 2.62937 12.5995      1.0592    10.4717      1.07929   64.6715     210.896     35.2809     30.8958     
1 1 1 15 8  11 o 33.1497 3.84807 1.88196      0.631005  2.29465      0.64262   2.2899      270.032     53.8418     90.0317     
1 1 1 15 8  12 o 27.7758 4.19112 2.16001      0.622949  0.884204     0.569137  5.41974     112.574     54.7717     112.574     
1 1 1 15 8  13 f 123.779 2.40296 28.1539      1.54338   28.2569      1.53727   174.618     62.1091     0           0           
1 1 1 15 8  14 o 35.7714 3.60041 2.52116      0.661571  2.30479      0.635854  5.49059     165.16      53.4178     345.16      
1 1 1 15 8  15 o 82.4203 2.55978 12.3129      1.09619   12.7516      1.08523   99.4664     327.004     31.8805     327.004     
1 1 1 15 8  16 o 91.2911 2.49296 16.3779      1.19113   14.3923      1.1618    101.978     82.8452     16.0418     82.8452     
1 1 1 15 8  17 o 30.8677 4.06215 1.25618      0.617968  2.47296      0.619035  4.28557     167.54      37.9957     347.54      
1 1 1 15 8  18 o 81.9628 2.65673 13.2514      1.17571   11.6079      1.07645   67.2541     231.09      34.2481     51.0905     
1 1 1 15 8  19 o 45.1471 3.44307 3.63334      0.782106  4.0149       0.803181  44.1785     110.864     12.2667     110.864     
1 1 1 15 8  20 o 61.2888 3.18775 7.12289      0.962917  6.87359      1.04461   62.6722     25.5019     3.34092     25.5019     
1 1 1 15 8  21 o 106.769 2.65679 22.5794      1.4547    19.6692      1.47457   118.456     108.105     14.3593     108.105     
1 1 1 15 8  22 o 54.6666 3.1902  5.2518       0.92325   5.94018      0.859917  74.9092     14.9946     44.8831     14.9946     
1 1 1 15 8  23 o 32.5239 4.25074 2.63944      0.701885  1.52749      0.669356  27.7492     210.894     3.56467     30.8945     
1 1 1 15 8  24 o 53.5098 3.11192 4.97067      0.856991  5.78438      0.849058  34.9617     163.052     38.9877     343.052     
1 1 1 15 8  25 o 62.1382 2.75789 7.40087      0.895108  7.01835      0.872542  51.1096     244.564     24.6273     64.5639     
1 1 1 15 8  26 o 14.6839 4.02427 0.599906     0.502072  -0.322669    0.470148  0.382587    53.5454     6.70466     53.5454     
1 1 1 15 8  27 o 30.6419 4.15453 2.20218      0.67379   1.51884      0.599053  13.1695     224.433     32.0733     44.4329     
1 1 1 15 8  28 o 54.209  3.17608 4.79467      0.873731  6.39757      0.87979   53.6262     63.497      1.45869     243.497     
1 1 1 15 8  29 o 35.4824 3.62278 2.58259      0.659367  2.30931      0.634265  34.7416     127.227     1.68899     127.227     
1 1 1 15 8  30 o 60.182  2.82116 7.44006      0.894561  6.28121      0.853695  73.8261     336.648     26.9376     336.648     
1 1 1 15 8  31 o 28.6595 4.29763 1.30376      0.616381  2.05214      0.625408  25.5571     239.432     2.51864     59.4319     
1 1 1 15 8  32 o 47.9731 3.51096 4.92537      0.884774  4.04818      0.833403  53.8164     303.157     12.5466     303.157     
1 1 1 15 8  33 o 53.0342 3.29658 5.85945      0.898076  5.02644      0.891616  59.1775     248.289     12.6862     248.289     
1 1 1 15 8  34 o 19.656  4.71774 0.878123     0.587912  0.63444      0.564298  7.41072     199.767     21.1875     19.7668     
1 1 1 15 8  35 o 26.84   4.85172 1.75942      0.714833  1.32364      0.644648  23.9041     224.87      2.20176     44.8706     
1 1 1 15 8  36 o 24.0213 4.62159 1.42799      0.606095  1.03793      0.58355   16.1981     286.242     12.1909     106.242     
1 1 1 15 8  37 o 12.9163 3.97314 -0.215351    0.510611  0.169553     0.50088   0.744311    241.933     0.124637    61.9334     
1 1 1 15 8  38 o 14.1191 4.18977 -0.00608821  0.523003  0.309012     0.524881  6.62159     255.755     0.749807    75.755      
1 1 1 15 8  39 o 31.3696 4.50192 2.7584       0.690542  1.54186      0.723032  29.1503     272.049     0.550599    92.049      
1 1 1 15 8  40 o 25.0562 5.08674 1.8255       0.715203  1.06796      0.715122  26.7438     176.209     9.87873     176.209     
1 1 1 15 8  41 o 17.4437 4.51703 1.01124      0.593618  0.108564     0.556776  14.8671     174.506     3.76705     174.506     
1 1 1 15 8  42 o 22.6727 4.63845 0.595098     0.623554  1.77727      0.635298  18.8728     143.533     2.78632     323.533     
1 1 1 15 8  43 o 17.9309 4.64551 1.14992      0.627788  0.173614     0.592253  12.1367     250.002     6.40336     70.002      
1 1 1 15 8  44 o 12.896  4.01375 0.489882     0.581175  -0.741262    0.555909  5.45909     247.982     1.01276     247.982     
1 1 1 15 8  45 o 16.505  4.43997 1.1888       0.626014  -0.468698    0.649013  5.56667     125.928     3.21587     125.928     
1 1 1 15 8  46 o 12.3662 4.1378  -0.434954    0.622179  -0.147062    0.766581  0.80386     152.643     21.0592     152.643     
1 1 1 15 8  47 o 12.7678 4.24441 0.207395     0.727203  -0.88616     0.762183  4.55529     86.271      8.67332     266.271     
1 1 1 15 8  48 o 16.2523 4.71555 0.255332     0.672769  0.945897     0.651976  9.86961     303.365     5.57844     123.365     
1 1 1 15 8  49 o 13.6062 4.32257 0.51952      0.67899   -0.140035    0.605415  5.66868     251.697     0.922464    71.6973     
1 1 1 15 8  50 o 11.4353 3.83227 0.170284     0.632487  -0.900239    0.616334  1.96801     2.11835     5.47456     182.118     
1 1 1 15 8  51 o 22.929  5.37876 1.78515      0.752879  1.63502      0.739559  19.1096     207.474     1.08054     207.474     
1 1 1 15 8  52 o 16.3438 5.04433 0.800595     0.865013  0.861573     0.758166  10.9129     353.523     0.57134     353.523     
1 1 1 15 8  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 9  0  o 55.2126 2.91391 5.69207      0.823032  5.69207      0.823032  60.7487     89.9999     41.6337     89.9999     
1 1 1 15 9  1  o 194.347 2.34452 70.4615      2.36326   68.4014      2.36022   227.951     345.527     37.5329     345.527     
1 1 1 15 9  2  o 61.248  2.72428 7.18987      0.868621  6.67409      0.852055  57.7507     330.664     5.72013     150.664     
1 1 1 15 9  3  o 93.7109 2.4887  16.6801      1.21259   15.6699      1.20038   79.909      218.767     37.5545     38.7672     
1 1 1 15 9  4  o 91.2302 2.49799 14.9926      1.17686   15.668       1.18092   115.208     59.0562     42.1571     59.0562     
1 1 1 15 9  5  o 105.683 2.41957 21.2389      1.33029   19.8859      1.3165    99.1741     167.609     25.3424     347.609     
1 1 1 15 9  6  o 51.0627 3.11603 4.83359      0.781282  4.84612      0.850559  43.923      72.2059     28.6662     72.2059     
1 1 1 15 9  7  o 57.0749 3.0498  5.76514      0.906573  6.31271      0.881672  47.1938     260.864     18.8781     80.8639     
1 1 1 15 9  8  o 52.2616 3.20569 4.94674      0.874698  5.20113      0.843297  37.4416     295.68      27.5478     115.68      
1 1 1 15 9  9  o 99.5425 2.60263 16.9525      1.38813   19.6137      1.27687   105.307     317.943     1.93806     317.943     
1 1 1 15 9  10 o 140.17  2.38241 36.2127      1.74155   36.0632      1.72047   162.617     115.561     27.6301     115.561     
1 1 1 15 9  11 o 57.9113 2.88196 6.20505      0.886255  6.2146       0.831967  61.4196     11.1705     12.5081     11.1705     
1 1 1 15 9  12 o 197.41  2.45217 70.6856      2.59022   72.7472      2.42269   221.242     19.1362     21.0205     19.1362     
1 1 1 15 9  13 o 103.24  2.51367 19.6258      1.3838    19.6628      1.3012    96.6102     72.1592     22.9363     252.159     
1 1 1 15 9  14 o 132.198 2.52886 31.022       1.72404   33.4144      1.73728   179.001     16.0596     81.4463     16.0596     
1 1 1 15 9  15 o 80.8772 2.63759 11.0713      1.07321   13.1354      1.13037   101.775     2.38375     42.1441     2.38375     
1 1 1 15 9  16 o 118.85  2.49506 24.9865      1.49218   27.1384      1.57907   97.6191     90.3612     54.3038     270.361     
1 1 1 15 9  17 o 59.0913 2.88527 6.72221      0.866468  6.24258      0.888201  35.3838     323.399     47.9671     143.399     
1 1 1 15 9  18 o 56.5456 2.91506 6.48635      0.844268  5.42208      0.846889  48.7816     147.017     14.2734     327.017     
1 1 1 15 9  19 o 12.9812 3.91917 0.220392     0.504029  -0.350209    0.461645  5.65859     291.36      15.4941     291.36      
1 1 1 15 9  20 o 45.4498 3.47474 3.262        0.813901  4.56659      0.764237  33.8921     239.728     21.6788     59.7281     
1 1 1 15 9  21 o 164.746 2.86819 52.7104      2.56254   48.017       2.3375    181.657     88.4068     17.3409     88.4068     
1 1 1 15 9  22 o 18.5849 4.68057 0.939544     0.618849  0.0514439    0.60139   3.13119     273.049     6.70706     93.0487     
1 1 1 15 9  23 o 29.4195 4.40616 2.5301       0.647871  0.943016     0.682651  18.672      19.4782     16.1409     199.478     
1 1 1 15 9  24 o 10.5171 3.44344 -0.424446    0.472749  -0.295252    0.417732  10.3        21.6417     29.0607     21.6417     
1 1 1 15 9  25 o 73.3806 2.64676 10.5178      1.00988   9.58228      0.995884  69.8214     11.0911     10.3851     191.091     
1 1 1 15 9  26 o 40.2917 3.42424 2.40599      0.675694  3.879        0.691533  36.0177     115.737     6.2557      295.737     
1 1 1 15 9  27 o 40.087  3.5006  3.20287      0.756199  2.96892      0.667284  36.8289     164.618     4.40211     344.618     
1 1 1 15 9  28 o 31.6433 4.18625 1.74633      0.665388  2.24059      0.653636  19.7794     180.839     21.2229     0.839423    
1 1 1 15 9  29 o 83.8245 2.6264  13.3508      1.15076   13.066       1.12601   82.5492     171.313     5.58355     351.313     
1 1 1 15 9  30 o 45.6961 3.2885  4.227        0.791946  3.82152      0.744434  38.474      315.286     14.1333     135.286     
1 1 1 15 9  31 o 17.0732 4.53254 0.626788     0.561003  0.302606     0.537649  7.39172     339.302     1.6658      339.302     
1 1 1 15 9  32 o 18.2839 4.69514 0.639873     0.580034  0.552242     0.569915  11.8205     355.879     5.13935     355.879     
1 1 1 15 9  33 o 37.2183 3.84069 2.90053      0.72658   2.61598      0.710773  42.5403     176.452     13.0783     176.452     
1 1 1 15 9  34 o 39.9211 3.95716 4.45121      0.741808  2.12635      0.753288  40.9676     84.5347     4.13148     84.5347     
1 1 1 15 9  35 o 25.5861 4.87715 1.47807      0.683721  1.34456      0.639383  22.9339     166.568     1.06986     346.568     
1 1 1 15 9  36 o 10.673  3.48876 -0.901169    0.478939  -0.00703339  0.47793   0.442672    223.461     14.9943     223.46      
1 1 1 15 9  37 f 31.0783 4.24638 1.93329      0.662166  2.12635      0.656     42.3941     93.3272     0           0           
1 1 1 15 9  38 o 31.261  4.30626 2.55846      0.694296  1.63661      0.650142  23.5626     51.9885     12.0812     231.988     
1 1 1 15 9  39 o 22.2405 4.30677 1.89354      0.625219  0.183266     0.586014  23.576      271.859     15.1234     271.859     
1 1 1 15 9  40 o 12.2334 3.94683 -0.0528944   0.547364  -0.367037    0.572646  5.0216      19.0704     4.09875     199.07      
1 1 1 15 9  41 o 25.3187 4.96874 1.70555      0.707324  1.33492      0.646426  26.6929     148.65      8.65049     148.65      
1 1 1 15 9  42 o 20.7072 5.14373 1.13856      0.626959  0.909385     0.770441  20.9047     280.911     12.8658     280.911     
1 1 1 15 9  43 o 11.5615 3.80067 -0.753337    0.604588  0.0158151    0.541457  5.18985     107.002     2.70324     287.002     
1 1 1 15 9  44 o 11.0703 3.66169 -0.737981    0.545117  -0.00508212  0.533119  2.5625      263.027     1.23287     83.0266     
1 1 1 15 9  45 o 16.3884 4.40966 -0.631246    0.627466  1.29718      0.654899  11.08       189.4       4.43256     189.4       
1 1 1 15 9  46 o 29.5546 5.03547 3.05408      0.818935  1.67872      0.745688  27.6374     268.187     2.62885     268.187     
1 1 1 15 9  47 o 17.1701 5.10134 1.16695      0.811112  0.280997     0.775735  12.6615     39.7416     5.0119      39.7416     
1 1 1 15 9  48 o 14.92   4.54253 0.390338     0.643787  0.516251     0.630906  8.72798     341.51      2.39423     161.51      
1 1 1 15 9  49 o 15.8188 4.69307 1.01274      0.697684  0.152742     0.649649  8.48768     350.959     5.32789     170.959     
1 1 1 15 9  50 o 10.7143 3.6448  -0.417282    0.60235   -0.416728    0.587711  1.15751     6.65341     7.72702     186.653     
1 1 1 15 9  51 o 15.2068 4.61324 0.294763     0.665911  0.824428     0.663527  6.59613     111.229     1.89698     111.229     
1 1 1 15 9  52 o 13.1578 4.32146 -0.442465    0.714131  0.552821     0.737872  5.72945     75.1953     5.74821     255.195     
1 1 1 15 9  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 10 0  f 160.107 2.35279 47.1171      1.95075   47.1171      1.95075   137.312     90          0           0           
1 1 1 15 10 1  o 186.618 2.34702 65.1947      2.27455   62.8824      2.26582   217.554     73.8007     35.3181     73.8007     
1 1 1 15 10 2  o 109.52  2.43701 21.4734      1.38001   22.6981      1.38282   123.698     293.159     16.8778     293.159     
1 1 1 15 10 3  o 176.579 2.34638 56.6188      2.148     58.049       2.14707   205.935     36.4293     34.2069     36.4293     
1 1 1 15 10 4  o 44.58   3.11278 4.41502      0.710595  3.04645      0.69115   32.2965     244.663     16.9609     64.6625     
1 1 1 15 10 5  o 170.409 2.35011 52.9077      2.07391   53.8967      2.07783   188.132     8.44307     12.24       8.44308     
1 1 1 15 10 6  o 35.5966 3.62043 2.80081      0.646149  2.00839      0.637602  16.3253     261.344     25.3846     81.3441     
1 1 1 15 10 7  o 163.118 2.43196 47.7724      1.98015   50.1412      2.13243   199.255     354.516     51.5165     354.516     
1 1 1 15 10 8  o 43.3173 3.65903 2.706        0.782625  4.43601      0.781417  13.1712     106.113     56.7227     286.113     
1 1 1 15 10 9  o 49.3518 3.2708  4.89711      0.839529  4.18608      0.812104  42.5509     13.1297     5.98635     193.13      
1 1 1 15 10 10 o 185.532 2.35216 65.0206      2.27554   61.6599      2.24816   216.881     151.488     39.0915     151.488     
1 1 1 15 10 11 o 118.594 2.40531 24.3763      1.471     27.4821      1.47969   148.017     164.625     48.4913     164.625     
1 1 1 15 10 12 o 189.968 2.37007 65.9537      2.34102   66.9037      2.32645   222.147     67.6513     41.2464     67.6513     
1 1 1 15 10 13 o 11.1889 3.5881  -0.5458      0.471947  -0.0871371   0.450195  8.08067     348.463     18.3042     348.463     
1 1 1 15 10 14 o 73.0513 2.62349 9.91667      0.999549  9.81235      0.980799  72.7957     58.9489     1.35619     238.949     
1 1 1 15 10 15 o 118.408 2.42256 27.1556      1.49777   24.5961      1.47137   149.835     293.38      53.5866     293.38      
1 1 1 15 10 16 o 93.9098 2.50431 15.9704      1.22017   16.612       1.21308   92.8345     108.197     8.78755     288.197     
1 1 1 15 10 17 o 83.7999 2.62    14.1881      1.18531   11.8532      1.08511   92.0091     329.143     11.9919     329.143     
1 1 1 15 10 18 o 55.7909 3.0513  6.25379      0.917834  5.37019      0.833859  58.5162     13.6652     6.55463     13.6652     
1 1 1 15 10 19 o 105.336 2.68828 19.8342      1.50876   21.3063      1.41562   118.969     156.195     18.6313     156.195     
1 1 1 15 10 20 o 104.659 2.70264 20.9956      1.52929   19.6658      1.39833   131.498     348.939     45.7029     348.939     
1 1 1 15 10 21 o 14.0963 4.16602 -0.376359    0.583448  0.317842     0.49817   7.26056     292.492     30.63       292.492     
1 1 1 15 10 22 f 18.7882 4.81784 0.818313     0.630601  0.274461     0.611415  32.7324     215.514     0           0           
1 1 1 15 10 23 o 90.7246 2.85682 14.4818      1.27581   16.2761      1.40545   104.003     52.6841     21.546      52.6841     
1 1 1 15 10 24 o 12.3287 3.85851 -0.422603    0.466805  0.0748186    0.525144  5.85582     51.1502     21.6877     51.1502     
1 1 1 15 10 25 o 33.0361 3.84791 1.71706      0.622483  2.56574      0.635955  30.1213     288.67      0.706677    108.67      
1 1 1 15 10 26 o 62.2844 2.79415 7.84725      0.912239  6.75705      0.88078   70.6841     182.761     16.0735     182.761     
1 1 1 15 10 27 o 30.1834 4.24917 1.786        0.682643  1.84754      0.598539  27.211      296.541     1.25393     116.541     
1 1 1 15 10 28 o 23.9195 4.57981 0.743556     0.610559  1.56921      0.600566  21.2438     344.757     2.959       344.757     
1 1 1 15 10 29 o 17.1001 4.31096 0.852265     0.533857  0.0492512    0.506718  0.21297     124.704     29.5654     304.704     
1 1 1 15 10 30 o 36.9231 3.66036 2.61148      0.69317   2.74918      0.667857  30.2501     58.9726     11.9647     238.973     
1 1 1 15 10 31 o 11.8333 3.77743 -0.221933    0.497077  -0.178207    0.487588  0.815076    156.12      14.5111     336.12      
1 1 1 15 10 32 o 24.6711 4.59716 0.969979     0.607694  1.56819      0.60586   10.5874     354.424     25.8419     174.424     
1 1 1 15 10 33 o 34.9713 4.03823 1.61518      0.67625   3.47793      0.680195  28.7617     127.176     10.4113     307.176     
1 1 1 15 10 34 o 25.9281 4.49069 0.526818     0.658484  2.34098      0.678113  28.7843     39.4176     11.6029     39.4177     
1 1 1 15 10 35 o 30.6241 4.51808 2.37504      0.718468  1.62356      0.672931  26.6917     105.935     4.59285     285.935     
1 1 1 15 10 36 o 39.6543 3.56449 3.04759      0.717673  3.27185      0.713361  39.7932     165.004     3.23695     165.004     
1 1 1 15 10 37 o 33.8457 4.00358 2.53705      0.672332  2.22641      0.680245  32.0077     240.699     0.0856715   60.6991     
1 1 1 15 10 38 o 19.8269 4.9668  0.908273     0.569336  0.720976     0.732788  9.68718     132.54      15.8962     312.54      
1 1 1 15 10 39 o 23.186  4.75443 1.74835      0.677289  0.719287     0.59041   19.9184     208.288     1.50361     28.2877     
1 1 1 15 10 40 o 15.2418 4.44337 0.433209     0.600469  0.224639     0.535524  9.28545     296.992     5.37786     116.992     
1 1 1 15 10 41 o 20.2355 5.18177 0.936032     0.722338  1.00354      0.678782  13.7391     330.275     8.00047     150.275     
1 1 1 15 10 42 o 22.2263 4.26876 -0.153095    0.690376  2.19204      0.654255  18.086      205.264     3.55155     25.2642     
1 1 1 15 10 43 o 11.6288 3.79035 -0.0165753   0.545477  -0.360638    0.519671  3.11304     134.822     10.556      314.822     
1 1 1 15 10 44 o 20.3524 5.00475 1.30401      0.651984  0.857293     0.666564  19.143      235.55      6.57125     235.55      
1 1 1 15 10 45 o 16.6208 4.75494 0.681816     0.631381  0.590998     0.640442  11.1947     353.768     2.7939      173.768     
1 1 1 15 10 46 o 14.5079 4.42672 0.867794     0.693313  -0.388767    0.596632  8.10106     329.97      4.49002     149.97      
1 1 1 15 10 47 o 15.155  4.46119 -0.871048    0.712637  1.14781      0.684649  7.09455     28.9013     9.27121     208.901     
1 1 1 15 10 48 o 20.2825 4.96162 1.73078      0.685959  0.654052     0.704488  17.9102     276.188     6.97684     276.188     
1 1 1 15 10 49 o 20.0676 4.93049 0.50022      0.706126  1.84331      0.707348  16.7921     146.13      6.43429     146.13      
1 1 1 15 10 50 o 10.5401 3.58965 -0.652994    0.599451  -0.229816    0.572511  1.45026     251.762     6.14589     71.7624     
1 1 1 15 10 51 o 16.8178 4.91034 0.851042     0.703115  0.921554     0.687573  11.3121     98.9207     1.64848     278.921     
1 1 1 15 10 52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 11 0  o 94.9383 2.48199 16.6197      1.21765   16.6197      1.21765   119.714     270         35.3239     270         
1 1 1 15 11 1  o 42.7503 3.22571 3.15415      0.700782  3.67603      0.703078  21.5142     69.1683     36.365      249.168     
1 1 1 15 11 2  f 69.5718 2.62592 8.58766      0.939801  9.2923       0.946413  92.7057     20.235      0           0           
1 1 1 15 11 3  o 58.9855 2.75116 7.20791      0.84918   5.7086       0.818105  50.5497     47.6549     15.0718     227.655     
1 1 1 15 11 4  o 131.83  2.38049 30.777       1.62431   33.2148      1.62588   152.748     318.11      27.7036     318.11      
1 1 1 15 11 5  o 31.867  3.73222 2.06627      0.608078  1.79339      0.581384  9.16221     148.938     28.4396     328.938     
1 1 1 15 11 6  f 120.087 2.39924 25.3985      1.48694   27.742       1.49518   136.391     344.659     0           0           
1 1 1 15 11 7  o 26.2346 4.27326 1.18089      0.563309  1.47989      0.577122  6.05801     296.301     49.1678     296.301     
1 1 1 15 11 8  o 59.1076 2.99793 7.06584      0.930257  5.91741      0.89192   55.9625     195.122     2.48089     15.1225     
1 1 1 15 11 9  o 93.9321 2.6851  15.4137      1.31033   17.1879      1.29514   99.5714     35.008      5.54363     35.0079     
1 1 1 15 11 10 o 53.7661 3.09467 4.66504      0.881652  6.13406      0.79998   47.9274     9.64584     5.3076      189.646     
1 1 1 15 11 11 o 68.3786 2.61605 8.86         0.927069  8.4322       0.920242  73.4459     161.014     12.1514     161.014     
1 1 1 15 11 12 o 93.5231 2.4901  15.9199      1.20395   16.3693      1.20591   105.107     64.9794     18.1042     64.9794     
1 1 1 15 11 13 o 29.8228 3.97994 1.18011      0.590274  2.30381      0.582324  11.3899     182.979     11.529      2.97872     
1 1 1 15 11 14 o 104.186 2.44773 20.0226      1.32817   20.0592      1.31193   102.933     12.0347     10.8655     192.035     
1 1 1 15 11 15 o 41.9863 3.14636 3.1181       0.683248  3.49251      0.661678  29.8386     141.814     19.8499     321.814     
1 1 1 15 11 16 o 26.9543 4.38184 1.40086      0.612876  1.43019      0.586031  11.6856     115.727     18.0848     295.727     
1 1 1 15 11 17 o 35.5143 3.65761 2.32329      0.658461  2.47818      0.647583  22.0906     1.00287     23.4557     181.003     
1 1 1 15 11 18 o 65.4951 2.8012  7.76614      0.947499  8.20144      0.944972  71.0735     131.619     8.57194     131.619     
1 1 1 15 11 19 o 21.9317 4.08744 0.164579     0.562336  1.57805      0.529709  9.69886     157.363     11.0998     337.363     
1 1 1 15 11 20 o 32.3191 3.87246 2.36102      0.645505  1.69564      0.601608  8.30529     254.247     46.1424     74.247      
1 1 1 15 11 21 o 89.4227 2.70377 17.3261      1.27025   12.6381      1.21455   107.908     143.098     32.3001     143.098     
1 1 1 15 11 22 o 54.9356 2.9034  5.52111      0.804351  5.80101      0.837361  59.5129     16.2992     9.45963     16.2992     
1 1 1 15 11 23 o 72.1845 2.74374 9.88175      1.07691   9.6108       0.967021  74.8229     153.318     2.89584     153.318     
1 1 1 15 11 24 o 36.7763 3.97125 2.66986      0.752329  2.59308      0.713734  25.6647     75.3447     20.0501     255.345     
1 1 1 15 11 25 o 31.8837 4.31215 2.21529      0.699305  1.83234      0.67384   23.8248     144.178     12.6774     324.178     
1 1 1 15 11 26 o 24.9751 4.54336 1.1172       0.571871  1.41568      0.614119  22.9309     300.194     8.29142     300.194     
1 1 1 15 11 27 o 39.6449 3.7052  2.77489      0.781721  3.36576      0.678124  40.6486     209.798     4.01275     209.798     
1 1 1 15 11 28 o 19.3287 4.35259 -0.24433     0.603513  1.34491      0.598693  11.7471     328.229     8.58624     148.229     
1 1 1 15 11 29 o 69.3456 2.95899 10.7062      1.06037   7.74036      1.03741   82.3573     233.959     25.5398     233.959     
1 1 1 15 11 30 o 17.6594 4.43782 0.596858     0.508508  0.534767     0.512635  12.469      230.959     4.35349     230.959     
1 1 1 15 11 31 o 65.3296 3.07692 8.96226      1.02101   7.46219      1.04111   77.0681     274.676     23.9594     274.676     
1 1 1 15 11 32 o 17.3317 4.58371 0.38961      0.553773  0.629961     0.562491  12.026      147.304     3.43436     327.304     
1 1 1 15 11 33 o 15.5458 4.33304 0.444322     0.522502  0.233179     0.510797  9.18189     282.988     4.624       102.988     
1 1 1 15 11 34 o 35.9956 4.81221 2.51159      0.776831  3.03427      0.954297  34.4131     229.469     0.0193748   49.4636     
1 1 1 15 11 35 o 19.6569 4.53276 -0.118831    0.637994  1.42414      0.631391  15.373      6.67043     2.55305     186.67      
1 1 1 15 11 36 o 18.5681 4.65616 0.438768     0.620292  0.88505      0.542929  14.6768     290.343     0.256689    110.343     
1 1 1 15 11 37 o 37.8202 3.92316 3.90663      0.780134  2.14075      0.683149  35.9073     85.4189     0.213504    265.419     
1 1 1 15 11 38 o 17.2633 4.54652 0.822183     0.573665  0.306098     0.544471  13.3178     146.421     0.41654     326.421     
1 1 1 15 11 39 f 29.2884 4.39457 1.41299      0.64284   2.44204      0.659426  26.9517     98.3212     0           0           
1 1 1 15 11 40 o 18.3309 4.64111 0.499482     0.565702  0.959672     0.577447  4.20586     156.322     24.4698     336.322     
1 1 1 15 11 41 o 40.1259 3.82265 3.73746      0.786668  3.25263      0.761034  48.5393     8.21202     22.1881     8.21202     
1 1 1 15 11 42 f 21.6986 4.55293 2.13528      0.711977  -0.0242227   0.672409  11.8214     213.967     0           0           
1 1 1 15 11 43 o 24.7136 5.33629 1.85563      0.791248  1.47087      0.703237  23.426      255.923     4.20421     255.923     
1 1 1 15 11 44 o 31.6603 4.76176 3.13296      0.779444  1.95356      0.745665  32.711      182.925     8.81743     182.925     
1 1 1 15 11 45 f 11.7689 3.85171 -0.418301    0.590751  0.0655155    0.543088  6.95541     168.079     0           0           
1 1 1 15 11 46 o 14.4711 4.31467 -1.20118     0.669662  1.08904      0.679933  4.40556     237.484     1.6489      237.484     
1 1 1 15 11 47 o 16.6687 4.83628 0.949373     0.663901  0.476612     0.70629   11.0677     238.511     1.24732     58.5113     
1 1 1 15 11 48 o 19.2359 5.04813 1.36427      0.703745  0.894963     0.647229  14.95       289.915     4.21731     289.915     
1 1 1 15 11 49 o 14.6959 4.53281 0.71523      0.661515  0.122335     0.670993  7.54414     17.3236     2.11884     197.324     
1 1 1 15 11 50 o 15.4821 4.65733 0.538294     0.673068  0.742684     0.643311  4.19177     119.274     1.73822     119.274     
1 1 1 15 11 51 o 11.9338 4.00783 0.0315495    0.703     -0.320202    0.63454   4.45372     108.434     2.25176     288.434     
1 1 1 15 12 0  o 41.6284 3.2524  3.30288      0.679973  3.30288      0.679973  24.0974     270         10.5284     270         
1 1 1 15 12 1  o 208.749 2.35662 79.5471      2.55069   80.8741      2.54923   252.198     18.6872     61.8215     18.6872     
1 1 1 15 12 2  o 124.699 2.39107 28.91        1.5413    28.3864      1.54681   125.485     346.495     10.4937     166.495     
1 1 1 15 12 3  o 93.4624 2.45513 16.5488      1.19391   15.6731      1.18049   126.649     35.4483     64.8497     35.4483     
1 1 1 15 12 4  o 30.4362 3.93395 2.0202       0.62406   1.53734      0.571386  23.7479     257.116     103.011     257.116     
1 1 1 15 12 5  o 118.251 2.47045 26.6217      1.57874   24.9509      1.44673   127.962     42.2153     9.35437     42.2153     
1 1 1 15 12 6  o 108.434 2.51287 21.1154      1.45633   22.2668      1.35957   110.095     246.648     5.12674     66.6482     
1 1 1 15 12 7  o 63.9049 2.87181 8.06045      0.96284   7.09163      0.928782  71.6326     20.223      20.4222     20.223      
1 1 1 15 12 8  o 103.491 2.75431 18.0559      1.38954   21.6078      1.56181   90.9337     181.206     33.4123     1.20568     
1 1 1 15 12 9  o 150.48  2.82977 41.8668      2.21258   41.8242      2.19809   199.66      352.549     84.4632     352.549     
1 1 1 15 12 10 o 85.0492 3.04236 12.1823      1.32891   14.7011      1.3362    73.3169     10.698      28.5858     190.698     
1 1 1 15 12 11 o 59.4474 2.8624  6.59762      0.923503  6.52693      0.827719  66.6637     29.2911     17.8708     29.2911     
1 1 1 15 12 12 o 77.3978 2.66707 11.9052      1.12265   10.3084      1.0119    103.91      338.677     52.9358     338.677     
1 1 1 15 12 13 o 56.9605 2.98094 5.02436      0.88717   7.15125      0.824424  48.723      98.8247     16.7428     278.825     
1 1 1 15 12 14 o 48.2377 3.12601 3.80119      0.76958   4.94299      0.763395  40.4105     295.132     14.5234     115.132     
1 1 1 15 12 15 o 30.6842 3.94487 1.68295      0.607125  1.9505       0.600001  23.9801     101.7       5.74409     281.7       
1 1 1 15 12 16 o 54.8002 2.92935 5.48608      0.820432  5.72835      0.831371  49.0022     105.776     12.8453     285.776     
1 1 1 15 12 17 o 106.628 2.52847 19.8038      1.41853   22.3939      1.36443   130.878     340.677     41.0081     340.677     
1 1 1 15 12 18 o 75.3452 2.76407 9.5565       1.07122   11.6404      1.07214   102.964     282.626     53.4158     282.626     
1 1 1 15 12 19 o 52.8142 3.00146 5.94852      0.832567  4.56312      0.79032   47.861      304.453     10.198      124.453     
1 1 1 15 12 20 o 17.6333 4.15864 0.0834702    0.507591  0.885721     0.475078  2.72413     335.549     7.0297      155.549     
1 1 1 15 12 21 o 31.9304 3.72466 1.68539      0.589998  2.28243      0.591561  26.7565     138.733     4.74137     318.733     
1 1 1 15 12 22 o 14.979  4.00596 -0.0529103   0.462181  0.556162     0.448623  1.284       238.977     19.2684     238.977     
1 1 1 15 12 23 f 16.0097 4.0485  -0.074546    0.487677  0.729353     0.458464  9.6887      165.489     0           0           
1 1 1 15 12 24 o 46.3384 3.09926 3.37685      0.72605   4.8561       0.721437  38.2221     195.709     15.7455     15.7094     
1 1 1 15 12 25 o 50.1028 3.10471 4.35181      0.821258  5.23166      0.76066   50.5144     233.935     1.26433     233.935     
1 1 1 15 12 26 o 58.6702 3.24561 5.93709      0.971503  7.27666      0.978638  69.7355     138.818     22.3444     138.818     
1 1 1 15 12 27 o 20.2085 4.84273 0.5171       0.606488  1.03803      0.629067  14.2071     64.8251     4.9969      244.825     
1 1 1 15 12 28 o 15.0031 4.33381 0.154805     0.556141  0.280933     0.51498   0.0632369   105.632     25.4638     285.633     
1 1 1 15 12 29 o 88.0753 2.7187  14.1235      1.18976   15.3006      1.28715   90.6305     299.541     4.17169     299.541     
1 1 1 15 12 30 o 52.5743 3.71432 5.37891      0.866513  5.49526      1.11191   62.7747     308.84      21.9286     308.84      
1 1 1 15 12 31 o 53.8317 3.44321 6.23767      1.04063   5.14409      0.862194  70.4043     191.3       35.3674     191.3       
1 1 1 15 12 32 o 20.7172 4.82614 1.18325      0.671108  0.611004     0.54518   19.5213     150.775     6.05312     150.775     
1 1 1 15 12 33 o 13.8764 4.12352 0.282212     0.538524  -0.0013364   0.47082   6.60317     357.952     4.19705     177.952     
1 1 1 15 12 34 o 16.4906 4.55062 0.856086     0.641472  -0.190132    0.577127  1.75438     222.458     33.0395     222.458     
1 1 1 15 12 35 o 42.1258 4.04675 2.6849       0.838996  4.75602      0.793664  45.9476     271.403     11.3889     271.403     
1 1 1 15 12 36 o 43.5504 3.55062 3.15454      0.772609  4.58299      0.769741  45.7464     92.8664     8.12378     92.8664     
1 1 1 15 12 37 o 32.3114 4.23399 2.11549      0.675566  2.38187      0.690148  23.7107     184.819     13.5741     4.81937     
1 1 1 15 12 38 o 34.8379 4.05482 2.35283      0.708835  2.86216      0.697966  39.9067     141.66      15.0026     141.66      
1 1 1 15 12 39 o 9.61675 3.28367 -0.376475    0.503947  -0.949015    0.489219  0.78236     359.536     14.9758     359.536     
1 1 1 15 12 40 o 18.5194 4.52249 1.30782      0.60581   0.112381     0.588721  17.9242     352.46      8.79275     352.46      
1 1 1 15 12 41 o 13.2377 3.76971 -1.33212     0.512249  0.811955     0.529395  7.71291     332.729     2.92277     152.729     
1 1 1 15 12 42 o 27.3378 5.13772 1.47678      0.707658  2.46178      0.799762  30.9609     118.72      15.093      118.72      
1 1 1 15 12 43 o 10.8922 3.7145  -0.861205    0.653817  -0.381353    0.612877  2.48905     209.173     4.57619     29.1728     
1 1 1 15 12 44 o 24.0368 5.21878 1.99349      0.77795   1.29244      0.657851  18.3374     341.056     5.06019     161.056     
1 1 1 15 12 45 o 27.0655 5.13807 2.09098      0.75863   1.99378      0.713431  21.735      245.835     4.2028      65.8353     
1 1 1 15 12 46 o 9.99035 3.47884 -0.305262    0.668793  -1.1937      0.53398   2.65568     172.317     18.8424     172.317     
1 1 1 15 12 47 o 12.0118 3.92506 -0.453272    0.592337  0.238076     0.584831  2.66719     46.1274     3.25299     226.127     
1 1 1 15 12 48 o 23.8767 5.30134 1.46803      0.757739  2.0991       0.742306  18.886      5.5525      1.67812     185.553     
1 1 1 15 12 49 o 8.4704  3.00713 -1.38557     0.565906  -1.04587     0.585101  0.37452     0.264261    4.9917      0.264261    
1 1 1 15 12 50 o 14.5051 4.2353  1.27573      0.661001  -1.07762     0.624481  8.56833     56.5226     1.13289     56.5226     
1 1 1 15 12 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 13 0  o 35.7653 3.52695 2.48975      0.617506  2.48975      0.617506  26.3721     270         13.1109     90          
1 1 1 15 13 1  o 71.8928 2.65686 9.30422      1.02538   9.82295      0.943209  84.4322     319.263     26.3211     319.263     
1 1 1 15 13 2  o 63.4081 2.80296 6.6918       0.933737  8.25406      0.885256  76.0808     184.07      30.6122     184.07      
1 1 1 15 13 3  f 120.639 2.56895 26.3225      1.60327   27.4197      1.60554   103.964     249.358     0           0           
1 1 1 15 13 4  o 150.593 2.53942 41.4104      1.97923   42.2502      1.98529   175.879     113.157     36.1728     113.157     
1 1 1 15 13 5  o 25.4315 4.40095 1.57588      0.591084  0.94571      0.575205  4.0806      303.628     47.4562     303.628     
1 1 1 15 13 6  o 38.8798 3.69667 2.08499      0.69343   3.75206      0.709039  8.35519     179.786     57.61       359.786     
1 1 1 15 13 7  o 59.0429 2.92094 7.13457      0.897779  5.85452      0.874057  67.359      297.549     20.1518     297.549     
1 1 1 15 13 8  o 49.2647 3.23102 5.2037       0.813754  3.91757      0.804368  23.8957     260.021     50.2559     80.0214     
1 1 1 15 13 9  o 43.6329 3.91044 4.28035      0.895588  2.98897      0.821114  29.0054     310.579     26.3706     130.579     
1 1 1 15 13 10 o 26.6081 4.80565 2.07984      0.734423  0.705078     0.67381   13.7903     103.204     77.2824     103.204     
1 1 1 15 13 11 o 88.025  2.92904 14.1157      1.40318   14.6735      1.25434   108.92      41.6851     36.938      41.6851     
1 1 1 15 13 12 o 39.985  3.78149 3.79345      0.765045  2.36728      0.732647  26.5353     0.539517    25.3955     180.54      
1 1 1 15 13 13 o 15.8739 4.28695 -0.182324    0.54447   0.630686     0.522953  20.0788     73.613      66.7775     73.613      
1 1 1 15 13 14 o 28.4374 4.48433 1.8055       0.646205  1.37502      0.645141  17.549      24.0676     15.4652     204.068     
1 1 1 15 13 15 o 59.4107 3.0748  7.86003      0.981153  5.46164      0.889348  81.9358     58.903      47.0983     58.903      
1 1 1 15 13 16 o 24.2872 4.28054 0.455234     0.636488  1.78876      0.54639   4.33234     99.9707     34.8013     279.971     
1 1 1 15 13 17 o 81.196  2.81801 13.4594      1.25785   11.1954      1.10855   94.0391     60.4893     22.3181     60.4893     
1 1 1 15 13 18 o 36.2902 3.62412 3.51124      0.662494  1.69677      0.611501  25.2921     107.629     19.1815     287.629     
1 1 1 15 13 19 o 45.5164 3.14207 3.71058      0.735153  4.1297       0.726041  44.2118     184.139     0.714977    4.13933     
1 1 1 15 13 20 o 59.055  2.83859 6.34703      0.85187   6.75296      0.875613  60.8648     117.571     3.26347     117.571     
1 1 1 15 13 21 o 61.0782 2.71584 7.28141      0.872073  6.7258       0.838887  76.204      208.616     30.6364     208.616     
1 1 1 15 13 22 o 29.1649 3.93089 1.40693      0.575856  1.96824      0.56494   19.2669     166.39      16.1883     346.39      
1 1 1 15 13 23 o 41.4144 3.20789 2.92662      0.67561   3.66072      0.669778  47.1143     270.955     14.0189     270.955     
1 1 1 15 13 24 o 20.8167 4.37452 0.636039     0.523867  1.08016      0.511804  14.2488     266.623     5.81707     86.623      
1 1 1 15 13 25 o 33.1304 4.36487 1.8166       0.644656  2.65621      0.803573  23.9137     236.558     16.3314     56.5578     
1 1 1 15 13 26 o 23.6026 4.7659  1.2236       0.611039  1.07782      0.614709  16.0025     243.53      11.1797     63.5301     
1 1 1 15 13 27 o 49.2027 4.00958 4.63697      1.06757   4.94137      0.924652  52.5562     75.7098     7.81694     75.7099     
1 1 1 15 13 28 o 34.7616 4.26822 2.31319      0.718626  2.58802      0.76404   31.9575     8.13136     3.37159     188.131     
1 1 1 15 13 29 o 23.3592 4.60388 0.536787     0.585564  1.74532      0.657438  22.6557     260.495     4.14771     260.495     
1 1 1 15 13 30 o 31.699  4.24908 2.72261      0.678807  1.48641      0.657463  24.2962     255.711     12.2125     75.7108     
1 1 1 15 13 31 o 24.8873 4.55186 1.6633       0.603859  0.980574     0.605094  19.7883     274.565     6.2076      94.5646     
1 1 1 15 13 32 o 64.926  2.88459 9.09816      0.991294  7.25524      0.936026  86.149      211.449     45.4327     211.449     
1 1 1 15 13 33 o 24.7966 4.38631 0.804815     0.596081  1.84514      0.584687  24.2369     324.22      4.27906     324.22      
1 1 1 15 13 34 o 18.7034 4.60813 1.19131      0.631326  0.113839     0.569346  13.6133     10.6654     3.79214     190.665     
1 1 1 15 13 35 o 21.4856 4.7803  1.09071      0.601484  0.948697     0.587652  17.5394     358.752     2.34361     178.752     
1 1 1 15 13 36 o 21.8568 4.79258 0.994521     0.602965  1.16664      0.59874   18.4806     338.858     1.28447     158.858     
1 1 1 15 13 37 o 15.827  4.49824 0.600482     0.596928  0.199641     0.544428  11.3408     113.782     1.15857     293.782     
1 1 1 15 13 38 o 15.5905 4.44218 0.405774     0.572671  0.412109     0.531596  9.65486     43.5172     4.37035     43.5172     
1 1 1 15 13 39 o 51.4674 3.31864 6.01156      0.896583  5.03415      0.852066  53.6904     59.6945     9.81728     59.6945     
1 1 1 15 13 40 o 9.71568 3.32076 -0.773242    0.513755  -0.469211    0.506381  0.804551    262.028     15.3219     262.028     
1 1 1 15 13 41 o 14.0489 4.21724 0.538259     0.562909  -0.101457    0.545332  7.15926     182.729     1.28136     182.729     
1 1 1 15 13 42 o 14.9861 4.32975 -0.288638    0.578475  0.873907     0.601578  6.80364     113.273     9.65594     293.273     
1 1 1 15 13 43 o 23.0853 5.28956 1.53386      0.680737  1.51747      0.77239   19.8912     122.102     0.759274    122.102     
1 1 1 15 13 44 o 18.9844 5.2166  1.29984      0.736881  0.769118     0.773444  12.9328     336.656     5.11483     156.656     
1 1 1 15 13 45 o 12.7903 4.20282 0.0106507    0.749484  -0.047936    0.587932  4.61345     105.709     1.76259     285.709     
1 1 1 15 13 46 o 17.2898 4.98183 1.09607      0.725229  0.597097     0.699185  8.58503     101.115     3.50654     101.115     
1 1 1 15 13 47 f 16.5506 4.80072 0.763781     0.675912  0.730678     0.640891  8.6206      52.1357     0           0           
1 1 1 15 13 48 o 16.3493 4.81646 0.614209     0.68297   0.906246     0.679758  9.84181     263.546     2.98585     263.546     
1 1 1 15 13 49 o 10.1138 3.45339 -1.6415      0.564678  0.155621     0.573662  0.922724    122.724     1.38398     302.724     
1 1 1 15 13 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 14 0  f 62.2731 2.8909  7.23382      0.923821  7.23382      0.923821  69.5318     90          0           0           
1 1 1 15 14 1  o 67.1112 2.81697 9.42296      0.978893  7.36448      0.962331  84.4641     212.561     35.4311     212.561     
1 1 1 15 14 2  o 120.924 2.5877  28.088       1.62187   26.018       1.61682   156.658     111.478     62.3884     111.478     
1 1 1 15 14 3  o 33.4049 3.87726 1.78178      0.636558  2.517        0.649522  16.0239     129.581     29.494      309.581     
1 1 1 15 14 4  f 13.6238 3.60865 0.619777     0.430937  -0.760328    0.448138  6.02348     14.716      0           0           
1 1 1 15 14 5  o 135.107 2.47273 31.9862      1.66133   35.5474      1.80018   139.818     270.716     2.45918     90.7162     
1 1 1 15 14 6  o 96.6313 2.45245 17.9002      1.23089   16.6574      1.22108   92.6507     78.9221     15.099      258.922     
1 1 1 15 14 7  o 43.3114 3.12485 4.25867      0.69229   2.85043      0.670303  41.7527     262.882     0.446703    82.8823     
1 1 1 15 14 8  o 56.8305 2.85658 5.93621      0.800731  6.10101      0.870596  76.8678     347.829     42.3269     347.829     
1 1 1 15 14 9  o 59.308  2.95444 5.97269      0.852366  7.18077      0.953252  61.4        78.9927     2.97021     78.9927     
1 1 1 15 14 10 o 92.3449 2.87324 15.2228      1.37595   16.5145      1.36577   104.371     335.147     18.3184     335.147     
1 1 1 15 14 11 o 34.8021 3.92899 1.86591      0.705417  2.8341       0.626434  30.6863     181.274     3.10163     1.27441     
1 1 1 15 14 12 o 18.1768 4.0823  1.01282      0.495118  0.0988092    0.463842  2.2576      323.818     17.7419     143.818     
1 1 1 15 14 13 o 62.332  2.74723 6.56033      0.892372  7.96643      0.863966  70.094      131.793     14.7291     131.793     
1 1 1 15 14 14 o 66.8049 2.83698 8.48322      0.971694  8.19161      0.983569  68.56       284.137     1.72997     284.137     
1 1 1 15 14 15 o 40.0385 3.54896 2.86363      0.688412  3.25849      0.752884  37.16       100.423     2.48159     280.423     
1 1 1 15 14 16 o 19.4692 4.59292 0.994909     0.583071  0.353165     0.54655   5.337       227.248     4.87327     47.248      
1 1 1 15 14 17 o 74.5994 3.01184 10.3238      1.16164   10.5805      1.15779   86.5072     33.9485     22.113      33.9485     
1 1 1 15 14 18 o 29.3782 4.35871 1.55173      0.628775  1.88248      0.6572    22.5584     309.961     7.97248     129.961     
1 1 1 15 14 19 o 12.7951 3.86055 -0.12446     0.500668  0.123192     0.415765  5.9183      174.735     27.3665     174.735     
1 1 1 15 14 20 o 41.7157 3.64615 3.40718      0.681985  3.31544      0.845615  41.6404     284.204     2.07923     284.204     
1 1 1 15 14 21 o 14.5392 4.12631 -0.000424348 0.455165  0.412552     0.511285  3.20766     176.366     28.986      176.366     
1 1 1 15 14 22 o 48.2862 3.13805 4.77854      0.821722  4.1463       0.732441  50.0358     119.517     4.46164     119.517     
1 1 1 15 14 23 o 25.0572 4.71012 1.55012      0.709998  1.06034      0.53809   12.3404     82.0532     22.2238     262.053     
1 1 1 15 14 24 o 58.4567 3.11379 5.93355      0.966589  7.17993      0.887974  55.7501     137.18      5.35206     317.18      
1 1 1 15 14 25 o 32.0528 3.94414 1.38616      0.612327  2.82298      0.619859  28.3995     204.392     4.84999     24.3921     
1 1 1 15 14 26 o 21.4918 4.22983 1.36376      0.529051  0.506481     0.5067    14.422      216.616     10.3374     36.6156     
1 1 1 15 14 27 o 22.7209 4.78114 0.995859     0.618789  1.14971      0.594202  20.7961     304.198     1.629       304.198     
1 1 1 15 14 28 o 16.23   4.39767 0.546065     0.537602  0.271649     0.505883  8.36409     66.1504     9.75216     246.15      
1 1 1 15 14 29 o 14.0316 4.21266 0.373734     0.557825  -0.337575    0.561563  6.18012     179.034     1.1909      359.034     
1 1 1 15 14 30 o 42.7692 3.65823 3.46257      0.752141  3.86402      0.8375    49.3671     3.4073      16.4249     3.4073      
1 1 1 15 14 31 f 21.5021 4.41565 0.715627     0.546817  1.23169      0.524972  18.0858     109.086     0           0           
1 1 1 15 14 32 o 22.4721 4.51857 1.30812      0.566155  0.874447     0.550323  20.3802     110.839     1.72901     110.839     
1 1 1 15 14 33 o 11.7334 3.74322 -0.225872    0.493075  -0.0800968   0.474714  1.5527      53.5702     21.3717     53.5702     
1 1 1 15 14 34 o 25.6987 4.44311 2.49924      0.704084  0.485633     0.626043  25.2717     95.049      4.45176     95.049      
1 1 1 15 14 35 o 19.0361 4.24109 1.37478      0.566241  0.0305842    0.532446  13.7529     0.763615    5.30659     180.764     
1 1 1 15 14 36 o 13.7231 3.61633 -1.41255     0.467153  0.910749     0.506436  7.46137     109.487     5.93591     289.487     
1 1 1 15 14 37 o 15.9315 4.43722 0.308877     0.564701  0.593665     0.528295  10.5356     183.475     5.05465     183.475     
1 1 1 15 14 38 o 30.2943 4.48849 2.1858       0.68654   2.06345      0.678039  24.6652     203.189     6.64087     23.1886     
1 1 1 15 14 39 o 14.9124 4.26366 -0.0884299   0.540465  0.715036     0.550787  10.2902     109.727     2.50791     109.727     
1 1 1 15 14 40 o 14.464  4.24988 -0.311787    0.56574   0.732878     0.581026  6.93366     107.666     8.27241     287.666     
1 1 1 15 14 41 o 13.4621 4.20343 0.174171     0.591182  0.135523     0.55843   6.40727     96.6092     1.16957     276.609     
1 1 1 15 14 42 o 14.3273 4.30248 0.521059     0.569305  0.130351     0.559427  7.65868     348.177     5.04635     168.177     
1 1 1 15 14 43 f 13.6781 4.17343 -0.257269    0.560798  0.628069     0.580939  6.1618      263.802     0           0           
1 1 1 15 14 44 o 24.3594 5.20384 1.01952      0.70178   2.60268      0.826249  24.2605     161.96      9.04087     161.96      
1 1 1 15 14 45 o 18.3289 5.49749 1.61806      1.01688   0.62916      0.794569  12.9104     115.929     2.78625     115.929     
1 1 1 15 14 46 o 13.9841 4.42534 0.260019     0.637899  0.314732     0.680264  5.92409     260.528     2.12883     80.5276     
1 1 1 15 14 47 o 13.7721 4.31708 -0.126572    0.641611  0.633715     0.630286  6.07073     325.336     0.896273    145.336     
1 1 1 15 14 48 o 10.1003 3.48712 -0.286859    0.629179  -0.833093    0.547161  0.144744    275.757     12.9404     275.757     
1 1 1 15 14 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 15 0  o 63.257  3.25746 7.5089       1.05482   7.5089       1.05482   31.0007     270         70.3903     90          
1 1 1 15 15 1  o 30.1688 4.08007 1.78708      0.587614  1.74187      0.641048  21.0226     25.5908     12.3136     205.591     
1 1 1 15 15 2  o 10.5865 3.36665 -0.14049     0.369387  -0.226452    0.40524   12.1599     236.416     33.408      236.416     
1 1 1 15 15 3  f 68.5903 2.56882 9.31033      0.914959  8.18125      0.902923  67.6209     115.78      0           0           
1 1 1 15 15 4  o 54.0536 2.77846 5.07969      0.773038  5.8317       0.769991  27.0839     55.5506     55.7161     235.551     
1 1 1 15 15 5  o 39.2526 3.21028 2.71191      0.635063  3.11062      0.645087  47.6568     187.374     29.5989     187.374     
1 1 1 15 15 6  o 49.5689 2.96269 4.27584      0.748595  4.93767      0.756877  27.9121     134.484     44.0949     314.484     
1 1 1 15 15 7  o 36.7821 3.44668 1.88851      0.611311  3.35867      0.628385  26.129      10.7967     18.5264     190.797     
1 1 1 15 15 8  o 38.5324 3.22764 2.69349      0.633637  2.92617      0.629368  32.7588     136.829     8.43445     316.829     
1 1 1 15 15 9  o 56.2175 2.82532 6.28649      0.827181  5.5396       0.807239  59.8629     355.245     7.469       355.245     
1 1 1 15 15 10 o 32.318  4.15066 2.03598      0.681083  2.03161      0.658253  27.5837     219.255     3.08787     39.2545     
1 1 1 15 15 11 o 35.4982 3.79044 2.56848      0.713959  2.28618      0.638131  34.0009     25.0054     2.70308     25.0054     
1 1 1 15 15 12 o 22.9387 4.26618 0.863997     0.534673  1.20571      0.503571  0.999918    94.7213     38.7737     274.721     
1 1 1 15 15 13 o 26.0024 4.05279 1.68472      0.556897  1.0066       0.514278  15.61       315.034     13.4035     135.034     
1 1 1 15 15 14 o 62.6169 2.99042 6.61054      0.898042  8.173        1.03328   62.93       251.091     0.0194102   71.1021     
1 1 1 15 15 15 o 15.4725 4.37912 0.344998     0.461064  0.114108     0.621443  0.815548    36.2787     12.6032     216.279     
1 1 1 15 15 16 o 21.1973 4.27962 0.999532     0.515226  0.779725     0.474198  12.179      100.143     0.838435    280.143     
1 1 1 15 15 17 o 49.5422 3.14202 4.62091      0.832881  4.70474      0.760872  36.9554     251.421     24.9581     71.4207     
1 1 1 15 15 18 o 35.0828 3.85636 2.50569      0.678553  2.31326      0.677648  29.5772     171.179     8.22759     351.179     
1 1 1 15 15 19 o 21.3303 4.37937 1.36259      0.552868  0.386442     0.561466  8.72843     48.9451     20.49       228.945     
1 1 1 15 15 20 o 36.2897 3.90408 2.30949      0.7039    2.89479      0.711852  37.9566     166.707     6.44258     166.707     
1 1 1 15 15 21 o 15.696  3.90571 -0.70189     0.506991  0.935323     0.514606  0.965964    172.262     0.00791629  172.262     
1 1 1 15 15 22 o 44.368  3.41939 3.59739      0.8254    4.04211      0.702587  51.9039     261.381     17.129      261.381     
1 1 1 15 15 23 o 34.784  3.68611 1.98743      0.641738  2.81514      0.626481  32.3069     173.919     2.72531     353.919     
1 1 1 15 15 24 o 50.5607 2.9786  4.99735      0.786121  4.79758      0.761079  56.6914     241.562     13.5688     241.562     
1 1 1 15 15 25 o 21.0487 4.33417 0.601668     0.527159  1.18747      0.512696  11.4702     317.266     15.5543     137.266     
1 1 1 15 15 26 o 89.4142 2.59196 15.909       1.21407   14.4504      1.18267   90.1301     311.611     2.21694     311.611     
1 1 1 15 15 27 o 25.3755 4.61968 1.59315      0.631528  1.14283      0.598991  23.3169     270.349     0.472783    270.349     
1 1 1 15 15 28 o 64.1527 3.10196 8.30874      0.989575  7.69348      1.05522   66.8655     296.827     7.63814     296.827     
1 1 1 15 15 29 o 33.6592 4.23427 1.89999      0.723505  2.83777      0.679256  37.1899     3.31633     11.3416     3.31633     
1 1 1 15 15 30 o 12.6337 3.80952 -0.691747    0.485982  0.405946     0.497745  4.48316     127.845     3.7761      307.845     
1 1 1 15 15 31 o 32.7931 4.23684 3.129        0.678548  1.50885      0.682201  28.3285     327.275     5.07811     147.275     
1 1 1 15 15 32 o 30.6785 4.07581 2.31765      0.628655  1.66591      0.616269  31.7868     334.472     6.94157     334.472     
1 1 1 15 15 33 o 23.8088 4.74579 1.3441       0.598349  1.21047      0.62599   14.6332     235.542     14.1587     55.5417     
1 1 1 15 15 34 o 13.0497 3.99644 -0.497754    0.556054  0.358833     0.516336  2.37226     253.653     16.3153     73.6534     
1 1 1 15 15 35 o 11.5634 3.68888 -0.387899    0.492859  0.072283     0.46766   4.37123     103.657     2.25705     283.657     
1 1 1 15 15 36 o 35.3335 4.07088 1.97903      0.69219   3.57439      0.706568  31.0355     318.777     3.97251     138.777     
1 1 1 15 15 37 o 24.512  4.50977 2.14905      0.646927  0.758157     0.607622  22.7494     172.448     1.85501     172.448     
1 1 1 15 15 38 o 15.8828 4.16824 -0.234104    0.536456  1.00066      0.535893  10.0802     57.01       5.20755     237.01      
1 1 1 15 15 39 o 16.6039 4.62757 0.533289     0.585524  0.683443     0.589155  10.3963     225.862     5.31881     45.8618     
1 1 1 15 15 40 o 25.2495 4.56195 0.751939     0.651754  2.55838      0.694759  24.503      126.927     5.59839     126.927     
1 1 1 15 15 41 o 13.3774 4.11827 -0.179735    0.538441  0.495048     0.567028  6.72229     112.427     3.41307     292.427     
1 1 1 15 15 42 o 15.5087 4.5326  0.722815     0.619163  0.329361     0.576211  10.0733     336.225     2.81612     336.225     
1 1 1 15 15 43 o 14.2271 4.17544 0.845687     0.574481  -0.292656    0.542426  6.54334     88.5696     0.492551    88.5696     
1 1 1 15 15 44 o 20.7465 4.85865 1.92843      0.704694  0.573641     0.639028  17.5817     337.172     4.1271      337.172     
1 1 1 15 15 45 o 11.4009 3.91507 -0.709408    0.636147  -0.282961    0.786683  2.12299     225.431     6.1576      45.4315     
1 1 1 15 15 46 o 12.3329 4.13585 -0.345364    0.710881  0.0277481    0.714061  3.47548     221.003     8.25343     41.0026     
1 1 1 15 15 47 o 10.8386 3.62242 0.258635     0.572642  -1.01388     0.543116  2.66827     119.24      4.20906     299.24      
1 1 1 15 15 48 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 16 0  o 131.74  2.81198 32.1403      1.9163    32.1403      1.9163    122.64      270         28.2426     90          
1 1 1 15 16 1  o 12.6963 3.79362 -0.0259438   0.433054  0.0980365    0.427785  6.57895     127.264     24.4469     127.264     
1 1 1 15 16 2  f 49.0771 3.12615 4.28269      0.77532   4.79195      0.797231  33.369      106.367     0           0           
1 1 1 15 16 3  o 61.4643 2.84905 7.55921      0.927409  6.58696      0.877479  83.2407     240.077     45.4722     240.077     
1 1 1 15 16 4  o 57.4103 2.93767 5.90231      0.885702  6.45657      0.846976  58.157      76.5127     1.55187     76.5126     
1 1 1 15 16 5  o 38.2022 3.34289 2.90404      0.6608    2.64832      0.634741  38.7314     86.6335     6.09128     86.6335     
1 1 1 15 16 6  o 22.8382 4.04372 1.45357      0.513337  0.615965     0.478578  10.7865     336.072     14.1509     156.072     
1 1 1 15 16 7  o 51.073  2.89259 5.05403      0.795388  4.74239      0.723338  47.9289     229.434     5.3518      49.434      
1 1 1 15 16 8  o 91.1622 2.99198 16.0259      1.248     15.1157      1.54428   90.1439     112.313     5.77741     292.313     
1 1 1 15 16 9  o 42.5619 3.55294 3.41911      0.657387  3.50083      0.864008  43.8678     305.79      6.05084     305.79      
1 1 1 15 16 10 o 34.7415 3.80764 3.08795      0.632563  1.68247      0.647575  39.1849     122.718     24.8692     122.718     
1 1 1 15 16 11 o 18.7562 4.64877 0.384943     0.658217  0.765051     0.499941  5.4795      71.6679     43.1494     71.6679     
1 1 1 15 16 12 o 71.5454 3.50838 10.0125      1.54438   9.45193      0.985584  63.2355     269.358     18.2438     89.358      
1 1 1 15 16 13 o 56.6489 2.99274 6.79848      0.943525  5.3668       0.803158  46.551      299.754     20.4769     119.754     
1 1 1 15 16 14 o 25.1568 3.97788 0.919027     0.511105  1.62012      0.511681  16.8412     116.141     10.9844     296.141     
1 1 1 15 16 15 o 12.7084 3.73941 0.0992338    0.417794  0.090583     0.396584  3.07261     29.231      21.6326     29.231      
1 1 1 15 16 16 o 17.0079 4.14923 0.571495     0.456171  0.474456     0.432426  7.57554     120.844     7.03994     300.844     
1 1 1 15 16 17 o 14.6375 3.80685 -0.118252    0.416688  0.622971     0.424376  3.73915     41.7913     4.0927      221.791     
1 1 1 15 16 18 o 61.2678 2.70407 8.23454      0.867975  6.03865      0.829871  66.8114     261.994     11.3131     261.994     
1 1 1 15 16 19 o 73.5639 2.57876 10.678       0.991521  9.74371      0.968363  76.5212     256.463     5.46622     256.463     
1 1 1 15 16 20 o 16.0481 4.16248 0.485493     0.460934  0.375735     0.447083  7.36179     14.0949     10.3003     194.095     
1 1 1 15 16 21 o 17.8257 4.14994 -0.134512    0.49403   1.1271       0.547962  13.8049     248.844     1.75891     248.844     
1 1 1 15 16 22 o 35.7001 3.95074 2.81049      0.697905  2.28677      0.708828  42.4124     188.578     16.8437     188.578     
1 1 1 15 16 23 o 13.5992 4.10082 -0.122416    0.525358  0.205098     0.507945  3.84916     344.45      12.8565     164.45      
1 1 1 15 16 24 f 22.5156 4.59748 1.25909      0.627287  0.873621     0.50896   19.5904     249.215     0           0           
1 1 1 15 16 25 o 36.6365 3.54889 3.59335      0.652624  1.86244      0.610976  42.4702     180.367     15.2563     180.367     
1 1 1 15 16 26 o 13.2926 3.92302 0.069334     0.466729  0.192137     0.43715   4.97293     354.539     8.21537     174.539     
1 1 1 15 16 27 o 13.1114 3.98246 0.26244      0.512804  -0.241106    0.486354  2.642       103.933     14.6197     283.933     
1 1 1 15 16 28 o 19.6373 4.53981 0.513137     0.528923  1.07381      0.565429  12.8318     60.2521     8.36449     240.252     
1 1 1 15 16 29 o 22.3802 4.25665 0.491644     0.559642  1.61894      0.546759  5.16101     222.101     3.98808     222.101     
1 1 1 15 16 30 o 34.9609 3.81981 3.02741      0.68212   2.0452       0.6439    34.6455     44.7248     3.54743     44.7248     
1 1 1 15 16 31 o 21.6286 4.53691 0.661307     0.588551  1.36731      0.557175  16.413      31.4026     5.32803     211.403     
1 1 1 15 16 32 o 9.79835 3.28287 -0.952534    0.459108  -0.14488     0.46133   1.09155     222.214     15.477      222.214     
1 1 1 15 16 33 o 18.1746 4.7293  1.03431      0.620984  0.261447     0.618065  16.1906     218.209     5.34203     218.209     
1 1 1 15 16 34 o 36.5686 4.26339 4.52157      0.823784  1.65957      0.687362  38.3267     31.4707     8.60037     31.4707     
1 1 1 15 16 35 o 13.1254 4.00258 -0.0415693   0.507906  0.268147     0.495976  3.93531     163.162     1.22531     163.162     
1 1 1 15 16 36 o 14.9239 4.29328 0.204147     0.528637  0.526461     0.527866  8.64936     88.2112     6.22854     268.211     
1 1 1 15 16 37 o 21.8708 4.72402 0.878989     0.620361  1.49349      0.593477  16.2851     92.1797     5.4075      272.18      
1 1 1 15 16 38 o 17.5229 4.5059  1.23801      0.607239  0.069293     0.582639  14.0882     177.308     3.70811     177.308     
1 1 1 15 16 39 o 38.6792 4.1333  2.83001      0.778631  4.1793       0.798398  45.7172     133.975     21.7861     133.975     
1 1 1 15 16 40 o 10.1288 3.38771 -1.01597     0.486235  0.0522064    0.496658  1.80273     174.875     5.33888     354.875     
1 1 1 15 16 41 o 12.0109 3.82124 -0.63615     0.534557  0.400753     0.536179  4.44282     356.545     3.00078     176.545     
1 1 1 15 16 42 o 11.9097 3.83827 -0.518024    0.54749   0.309534     0.545699  3.01574     208.195     2.52608     28.1951     
1 1 1 15 16 43 o 11.0947 3.69636 0.0456036    0.569416  -0.568354    0.542435  0.82245     72.8333     1.76658     252.833     
1 1 1 15 16 44 o 14.1772 4.40931 0.297384     0.650271  0.403577     0.607136  6.23417     318.022     1.25892     138.022     
1 1 1 15 16 45 o 12.9223 4.18794 -0.06676     0.638675  0.289652     0.638324  1.73478     157.301     0.0694846   337.301     
1 1 1 15 16 46 o 18.5567 5.18617 1.05743      0.685187  1.27036      0.790825  14.9261     24.3263     3.57285     24.3263     
1 1 1 15 16 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 17 0  o 65.5844 3.26381 8.10053      1.09672   8.10053      1.09672   70.2709     90          5.52872     90          
1 1 1 15 17 1  o 103.86  3.30964 20.4786      1.63066   20.2026      1.90916   102.51      351.705     6.84625     171.705     
1 1 1 15 17 2  o 52.8223 3.50425 4.79523      0.882683  5.85372      1.01539   49.439      85.2677     5.97651     265.268     
1 1 1 15 17 3  o 38.075  3.47484 2.91801      0.657762  2.64098      0.678593  45.0792     250.526     21.1476     250.526     
1 1 1 15 17 4  o 46.5476 3.15534 5.07342      0.823002  3.24032      0.676848  59.7823     117.451     31.2206     117.451     
1 1 1 15 17 5  o 52.9514 3.22649 6.40091      1.02039   4.32964      0.740798  57.2205     237.14      9.88657     237.14      
1 1 1 15 17 6  o 21.6767 4.40764 1.09699      0.579651  0.774092     0.466268  8.83855     36.8608     18.3372     216.861     
1 1 1 15 17 7  o 37.2085 3.39216 2.04029      0.617668  3.34917      0.625126  29.1618     176.418     13.4667     356.418     
1 1 1 15 17 8  o 71.7267 2.67111 9.59845      0.992437  9.69246      0.986747  71.1395     164.108     2.33267     344.108     
1 1 1 15 17 9  o 50.1755 2.90991 4.72945      0.759977  4.78788      0.740076  39.5923     243.545     20.6912     63.5446     
1 1 1 15 17 10 o 32.5344 3.64042 1.73716      0.562409  2.41262      0.621223  27.6198     1.10611     6.13729     181.106     
1 1 1 15 17 11 o 79.8753 2.79736 11.735       1.1289    12.2916      1.18049   90.9859     261.409     21.0239     261.409     
1 1 1 15 17 12 o 36.1049 3.47336 2.32591      0.655686  2.72892      0.598959  39.1498     29.3659     9.83963     29.366      
1 1 1 15 17 13 o 89.991  2.45307 14.7374      1.13694   15.6197      1.14689   111.196     245.524     41.0775     245.524     
1 1 1 15 17 14 o 30.378  3.46707 1.80173      0.53734   1.80627      0.517143  25.9357     164.672     5.52826     344.672     
1 1 1 15 17 15 o 16.0238 4.02486 0.356139     0.433834  0.5291       0.412574  4.1627      201.545     17.2656     21.5446     
1 1 1 15 17 16 o 47.4402 2.82484 4.83816      0.698848  3.76182      0.671488  57.8901     169.348     22.9936     169.348     
1 1 1 15 17 17 o 36.986  3.20388 2.34197      0.603547  2.96675      0.587911  37.9712     359.052     4.43754     359.052     
1 1 1 15 17 18 o 18.7395 4.23028 0.681298     0.477375  0.697033     0.450271  15.2996     240.926     2.17575     240.926     
1 1 1 15 17 19 f 18.6827 4.25723 0.805049     0.497174  0.568603     0.443729  9.24348     130.519     0           0           
1 1 1 15 17 20 o 48.1168 2.99772 4.2613       0.753454  4.63204      0.723482  52.7383     141.949     11.1202     141.949     
1 1 1 15 17 21 o 24.4416 4.04093 1.84095      0.554467  0.666108     0.498016  16.1434     354.579     13.2838     174.579     
1 1 1 15 17 22 o 46.4428 2.96855 4.0247       0.709853  4.29985      0.702982  54.1472     82.2225     18.0743     82.2225     
1 1 1 15 17 23 o 65.4186 2.67346 8.75994      0.917904  7.61177      0.885959  73.7632     324.253     18.9721     324.253     
1 1 1 15 17 24 o 20.1197 4.57566 0.928599     0.5011    0.722064     0.598584  9.17588     1.54735     17.8195     181.547     
1 1 1 15 17 25 o 31.3943 4.57316 2.36813      0.712065  1.82164      0.726712  33.9437     312.131     9.89795     312.131     
1 1 1 15 17 26 o 50.7916 3.73094 5.20335      1.08234   5.17614      0.827174  48.6572     245.691     0.956139    65.6913     
1 1 1 15 17 27 o 19.745  4.52803 1.26573      0.596831  0.313469     0.545263  17.8773     118.896     7.64895     118.896     
1 1 1 15 17 28 o 31.9459 4.28836 1.08717      0.708895  3.43623      0.64933   29.8119     255.838     0.113327    255.838     
1 1 1 15 17 29 o 14.9788 4.0608  0.726944     0.513531  -0.131292    0.44778   8.55556     108.212     5.48018     288.212     
1 1 1 15 17 30 o 37.782  3.58877 2.63893      0.690051  3.24217      0.668132  25.0642     339.463     21.64       159.463     
1 1 1 15 17 31 o 14.9422 4.22346 0.289898     0.513108  0.399107     0.47989   10.1604     24.6749     1.5271      24.6749     
1 1 1 15 17 32 o 17.6453 4.3801  0.373141     0.52414   0.909448     0.510704  5.15675     39.1804     3.47179     39.1804     
1 1 1 15 17 33 f 11.3998 3.72714 -0.234705    0.565641  -0.217408    0.466841  1.64071     355.974     0           0           
1 1 1 15 17 34 o 19.4896 4.84894 1.23467      0.646761  0.561818     0.609924  17.3373     194.181     2.48258     194.182     
1 1 1 15 17 35 o 19.3609 4.14052 1.62287      0.58334   -0.0119975   0.52031   18.6984     217.877     6.97484     217.877     
1 1 1 15 17 36 o 20.0508 4.79894 0.943804     0.608682  1.08162      0.582571  13.2662     84.3507     7.51544     264.351     
1 1 1 15 17 37 o 22.3925 4.9141  1.02293      0.631884  1.61922      0.654989  17.9073     193.125     2.19068     13.1251     
1 1 1 15 17 38 o 22.0607 4.94781 1.29074      0.647565  1.3368       0.623725  19.322      134.234     2.04834     134.234     
1 1 1 15 17 39 o 18.4316 4.03308 -0.367372    0.543813  1.72012      0.594529  16.6485     165.96      6.73159     165.96      
1 1 1 15 17 40 o 11.4185 3.7379  -0.224246    0.543344  -0.018702    0.509521  2.76032     126.894     8.02187     306.894     
1 1 1 15 17 41 o 15.6643 4.10464 1.2885       0.585828  -0.616738    0.54537   3.17912     49.8967     1.30396     49.8967     
1 1 1 15 17 42 o 11.6573 3.78053 0.295528     0.548696  -0.545181    0.525895  1.98899     120.949     8.44998     300.949     
1 1 1 15 17 43 o 19.8709 5.08319 1.12373      0.685719  1.31513      0.666525  16.1501     148.633     7.69237     148.633     
1 1 1 15 17 44 o 10.5039 3.54571 -1.02619     0.599536  0.0465549    0.538054  1.60644     144.613     7.13297     324.613     
1 1 1 15 17 45 o 19.0002 5.10811 1.29098      0.674295  1.06931      0.732902  13.888      352.534     1.58818     172.534     
1 1 1 15 17 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 18 0  o 23.99   4.49977 1.27849      0.483443  1.27849      0.483443  23.5913     90          0.941315    90          
1 1 1 15 18 1  o 33.13   3.65358 2.39872      0.562525  1.89091      0.633158  20.0824     308.074     23.6887     128.074     
1 1 1 15 18 2  o 51.8967 3.11636 5.66276      0.821544  4.60468      0.83013   60.0005     241.923     17.8612     241.923     
1 1 1 15 18 3  f 76.7265 3.00493 10.35        1.08406   11.9433      1.29768   78.789      166.286     0           0           
1 1 1 15 18 4  o 17.3035 4.2388  0.6563       0.494817  0.422884     0.436036  3.35333     68.8784     21.1838     248.878     
1 1 1 15 18 5  o 24.9871 3.94474 1.06251      0.478637  1.43941      0.520097  23.5661     136.874     5.9532      136.874     
1 1 1 15 18 6  o 21.1491 3.58985 0.131943     0.446122  1.60998      0.463764  12.9025     84.9982     10.3842     264.998     
1 1 1 15 18 7  o 34.5726 3.99195 1.66337      0.714673  3.14552      0.586169  19.6441     310.476     27.9373     130.476     
1 1 1 15 18 8  o 18.6552 3.94677 0.111147     0.521357  1.06529      0.429449  7.38511     28.422      16.6402     208.422     
1 1 1 15 18 9  o 27.3228 3.86329 1.81796      0.574761  1.18661      0.484605  21.2048     344.026     8.27764     164.025     
1 1 1 15 18 10 o 48.1769 2.75214 4.59068      0.688787  4.21573      0.673654  64.2569     247.333     35.1206     247.333     
1 1 1 15 18 11 o 40.1427 3.53759 2.29428      0.691781  4.09773      0.688409  46.4327     248.81      15.6365     248.81      
1 1 1 15 18 12 o 25.9542 4.08983 1.5771       0.556908  1.15924      0.518503  28.8835     219.869     15.1835     219.869     
1 1 1 15 18 13 o 13.8703 3.76052 0.276779     0.392794  0.270411     0.364734  0.964742    65.5701     0.269758    245.57      
1 1 1 15 18 14 o 27.6598 3.56    2.12872      0.498294  0.987678     0.471164  20.8014     180.736     10.8008     0.735562    
1 1 1 15 18 15 o 27.9248 3.6189  1.86506      0.508791  1.25559      0.495301  25.8678     286.114     0.734996    106.114     
1 1 1 15 18 16 o 31.0051 3.56242 1.9288       0.569073  1.86842      0.536639  28.7754     12.9861     1.53373     192.986     
1 1 1 15 18 17 o 18.9892 4.03552 0.583746     0.445783  0.850589     0.42438   12.1687     43.0508     8.77239     223.051     
1 1 1 15 18 18 o 11.6454 3.5009  -0.181761    0.402793  0.174729     0.360558  2.3387      359.727     9.07831     179.727     
1 1 1 15 18 19 o 39.9026 3.21565 3.27073      0.634599  2.94091      0.666977  42.0619     283.335     7.1562      283.335     
1 1 1 15 18 20 o 26.9449 3.8411  2.21073      0.546705  0.852613     0.501288  26.263      179.337     3.03093     179.337     
1 1 1 15 18 21 o 53.4406 2.76622 5.11116      0.758886  5.87672      0.759816  50.5319     309.352     3.30619     129.352     
1 1 1 15 18 22 o 11.4404 3.45855 -0.264382    0.405256  0.194148     0.360134  2.14549     0.618118    3.0241      180.618     
1 1 1 15 18 23 o 28.1162 3.98851 1.93075      0.578184  1.35835      0.54472   24.9072     55.5941     2.22199     235.594     
1 1 1 15 18 24 o 24.3552 4.26185 1.55993      0.554262  0.973656     0.530217  19.2413     3.17006     5.59674     183.17      
1 1 1 15 18 25 o 39.1565 3.45391 3.13769      0.68217   3.01282      0.688956  37.7484     124.598     1.11172     124.598     
1 1 1 15 18 26 o 18.166  4.46946 -0.0617281   0.548738  1.20719      0.621709  11.9027     276.359     6.49638     96.3594     
1 1 1 15 18 27 o 34.0367 4.9803  2.72053      0.889051  2.45925      0.810709  28.3068     344.549     7.08022     164.549     
1 1 1 15 18 28 o 58.8896 3.33513 6.79136      1.00673   7.18228      1.01182   66.139      73.3585     19.6786     73.3585     
1 1 1 15 18 29 o 34.8264 3.72323 2.44505      0.661671  2.62907      0.638273  30.1643     29.6057     4.93328     209.606     
1 1 1 15 18 30 o 25.0642 4.34122 1.92996      0.596649  0.93543      0.56036   30.4717     325.065     21.1829     325.065     
1 1 1 15 18 31 o 38.4483 3.81659 2.3436       0.709622  4.05826      0.713207  38.4696     98.1669     5.21115     98.1669     
1 1 1 15 18 32 o 23.0966 4.4357  1.81974      0.595721  0.704598     0.575551  15.7204     197.972     10.0429     17.9724     
1 1 1 15 18 33 o 12.9846 4.06494 -0.0873205   0.579324  0.165728     0.514822  3.04114     244.501     14.4426     64.5012     
1 1 1 15 18 34 o 16.0165 4.30286 1.00979      0.579267  -0.0753033   0.510764  9.43411     172.384     6.5149      352.384     
1 1 1 15 18 35 o 14.6987 4.38124 0.0884839    0.564356  0.570179     0.595393  8.17175     243.337     4.05655     63.3368     
1 1 1 15 18 36 o 10.0541 3.3833  -0.253328    0.475199  -0.553767    0.498837  0.557661    180.638     10.5721     0.637519    
1 1 1 15 18 37 o 29.5378 4.49128 2.2949       0.67463   2.02786      0.660404  31.8149     193.748     12.31       193.748     
1 1 1 15 18 38 o 10.316  3.44754 -0.124226    0.504744  -0.477076    0.466033  1.99677     312.138     5.4005      132.138     
1 1 1 15 18 39 o 15.2452 4.38795 0.348948     0.552654  0.682528     0.551435  6.91284     321.893     1.95171     321.893     
1 1 1 15 18 40 o 18.1482 4.3132  -0.169902    0.58748   1.64958      0.619012  13.661      213.012     3.32265     213.012     
1 1 1 15 18 41 o 17.1649 4.6916  0.608067     0.617231  0.977935     0.591713  4.76271     319.38      2.3091      319.38      
1 1 1 15 18 42 o 19.934  5.00702 1.43102      0.671521  1.00866      0.639895  16.2197     223.019     2.81482     223.019     
1 1 1 15 18 43 o 13.5225 4.24181 0.45068      0.612299  0.152205     0.574936  5.66633     170.67      0.0664335   350.67      
1 1 1 15 18 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 19 0  f 24.5278 4.44697 1.3294       0.488674  1.3294       0.488674  21.9202     270         0           0           
1 1 1 15 19 1  o 12.1063 3.3025  0.434243     0.339953  -0.309777    0.336371  6.73311     81.0003     32.6549     81.0003     
1 1 1 15 19 2  o 43.5616 2.89573 3.65687      0.653884  3.58347      0.638534  47.9214     79.8714     10.9972     79.8714     
1 1 1 15 19 3  o 39.0721 3.19261 2.6027       0.64962   3.30248      0.601656  36.5371     82.6288     2.85694     262.629     
1 1 1 15 19 4  o 50.2599 2.98394 4.99855      0.773443  4.65019      0.766376  42.3128     156.503     14.8532     336.503     
1 1 1 15 19 5  o 45.2995 2.88203 3.85196      0.648424  3.97571      0.690415  51.0419     79.64       13.6572     79.64       
1 1 1 15 19 6  o 56.3067 2.64268 6.27858      0.774227  5.72354      0.758995  69.4255     331.396     27.888      331.396     
1 1 1 15 19 7  o 47.859  2.87482 5.67391      0.706699  3.22303      0.668001  49.1955     28.769      4.30534     28.769      
1 1 1 15 19 8  o 20.873  3.78207 0.299867     0.498928  1.37165      0.426713  19.6859     163.124     7.85055     163.124     
1 1 1 15 19 9  o 35.7498 3.13785 2.56813      0.577101  2.37273      0.560688  46.0916     205.156     25.048      205.156     
1 1 1 15 19 10 f 36.3347 3.05882 2.43766      0.572127  2.65464      0.555259  37.3428     300.294     0           0           
1 1 1 15 19 11 o 13.5732 3.38283 0.613044     0.355096  -0.203872    0.341942  6.17633     212.615     3.21383     32.6153     
1 1 1 15 19 12 o 37.8085 3.35498 3.61937      0.648118  2.05384      0.602674  28.7231     56.8057     16.2005     236.806     
1 1 1 15 19 13 o 35.2539 3.24393 2.34383      0.558491  2.4969       0.599133  40.0597     93.0205     13.0351     93.0205     
1 1 1 15 19 14 o 23.8399 3.85319 1.39505      0.471263  0.924202     0.466819  20.9589     73.0041     1.25641     253.004     
1 1 1 15 19 15 o 13.5487 3.65586 0.270936     0.364649  0.272169     0.349077  5.57666     20.9145     1.63218     200.915     
1 1 1 15 19 16 o 44.6391 3.00204 4.12726      0.668776  3.58348      0.697446  37.1246     206.504     12.7259     26.5036     
1 1 1 15 19 17 o 17.8672 3.92284 0.412681     0.417609  0.84424      0.413002  11.3735     139.095     7.34371     319.095     
1 1 1 15 19 18 o 12.9435 3.5931  -0.0797516   0.404303  0.38789      0.349108  5.61693     53.6774     33.427      53.6774     
1 1 1 15 19 19 o 22.4362 4.02298 1.35243      0.512535  0.766484     0.437997  21.7765     36.3503     5.12321     36.3503     
1 1 1 15 19 20 o 32.6088 3.71526 2.47982      0.668366  1.84893      0.547183  30.7628     313.689     0.238577    313.689     
1 1 1 15 19 21 o 12.4579 3.70469 -0.0240668   0.475326  0.181043     0.351487  0.439622    273.803     20.4337     273.803     
1 1 1 15 19 22 o 45.9998 3.22954 3.44564      0.774861  4.96948      0.696692  43.9782     64.0309     0.227268    244.032     
1 1 1 15 19 23 o 44.4956 3.29042 3.60391      0.766352  4.27816      0.715704  43.4252     208.244     1.94322     208.244     
1 1 1 15 19 24 o 19.4376 4.50343 0.768177     0.57435   0.824034     0.478768  16.0557     187.934     0.209416    187.934     
1 1 1 15 19 25 o 31.1292 4.00194 1.58423      0.615481  2.54573      0.615163  32.3681     3.56279     7.54056     3.56279     
1 1 1 15 19 26 o 38.4841 3.49183 2.89248      0.712867  3.16531      0.637651  30.943      277.694     10.8235     97.6937     
1 1 1 15 19 27 o 20.0043 4.33347 1.28195      0.532688  0.450425     0.522592  19.7185     353.27      7.52481     353.27      
1 1 1 15 19 28 o 25.015  4.30601 1.24452      0.56161   1.55875      0.549177  17.7358     154.042     9.98178     334.042     
1 1 1 15 19 29 o 16.2617 4.58227 0.05874      0.611101  0.788937     0.609303  6.17296     348.706     3.60267     348.706     
1 1 1 15 19 30 o 20.8277 4.95044 0.704027     0.655513  1.38774      0.656019  18.0096     339.842     0.513831    339.842     
1 1 1 15 19 31 o 16.2985 4.01056 -0.165541    0.486719  1.06623      0.504647  11.9569     269.583     1.8012      89.5832     
1 1 1 15 19 32 o 11.3735 3.64629 -0.370555    0.468576  0.114207     0.479675  3.48329     289.402     6.91054     109.402     
1 1 1 15 19 33 o 17.839  4.63188 1.09268      0.614596  0.426767     0.541893  14.3211     223.279     5.50279     223.279     
1 1 1 15 19 34 o 13.1997 3.9218  -0.347163    0.49646   0.576705     0.499546  4.83192     120.309     0.138494    120.309     
1 1 1 15 19 35 o 12.2982 3.8282  -0.348911    0.505947  0.366307     0.493014  4.96874     170.351     2.98678     350.351     
1 1 1 15 19 36 o 22.9158 4.85223 1.28954      0.653245  1.55062      0.603703  20.194      85.9241     2.03909     85.9241     
1 1 1 15 19 37 o 10.3345 3.45984 -0.2888      0.513863  -0.29693     0.470824  0.933987    183.918     9.50022     3.91786     
1 1 1 15 19 38 o 29.3124 4.69266 3.24106      0.724634  1.44677      0.748612  26.4277     51.4707     2.48575     51.4707     
1 1 1 15 19 39 o 14.2307 4.3032  0.51045      0.568668  0.238268     0.566661  6.08107     142.742     2.25116     322.742     
1 1 1 15 19 40 o 16.3429 4.51907 1.07983      0.599332  0.240894     0.582847  10.4053     322.759     0.565377    322.759     
1 1 1 15 19 41 o 11.4444 3.73623 -0.527982    0.526096  0.275697     0.54381   2.1803      273.905     1.75916     93.9047     
1 1 1 15 19 42 o 12.5139 4.01702 0.301055     0.578673  -0.0790549   0.561767  5.1655      324.006     2.84259     144.006     
1 1 1 15 19 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 20 0  o 72.0286 2.56209 9.71316      0.951048  9.71316      0.951048  61.2006     270         21.6892     90          
1 1 1 15 20 1  o 33.8321 3.16755 2.17877      0.540079  2.26328      0.543521  35.4956     270.3       6.46266     270.3       
1 1 1 15 20 2  o 30.6887 3.54603 1.31332      0.526793  2.48429      0.531066  37.0923     306.864     17.7718     306.864     
1 1 1 15 20 3  o 13.1364 3.59975 0.199421     0.357346  0.263233     0.343432  1.75291     319.205     17.1053     139.205     
1 1 1 15 20 4  o 30.5233 3.53305 1.5134       0.547135  2.19052      0.513498  25.6182     277.678     6.88317     97.6779     
1 1 1 15 20 5  f 27.4818 3.80528 1.59887      0.526694  1.43255      0.518589  35.2037     342.207     0           0           
1 1 1 15 20 6  o 37.4734 3.02731 2.90397      0.587067  2.52081      0.566636  33.669      263.725     5.1632      83.7249     
1 1 1 15 20 7  o 48.5694 2.72935 4.46021      0.687723  4.53187      0.675052  40.1734     29.0265     14.941      209.026     
1 1 1 15 20 8  o 17.9761 3.81056 0.691403     0.393751  0.598175     0.372898  14.4696     351.115     1.29873     351.115     
1 1 1 15 20 9  o 48.4771 2.68924 4.31549      0.670987  4.64998      0.668796  54.102      279.495     13.8611     279.495     
1 1 1 15 20 10 o 14.0504 3.55419 0.32054      0.335057  0.361237     0.321316  7.07135     190.587     3.75007     10.5866     
1 1 1 15 20 11 o 34.602  3.25698 2.55429      0.556482  2.14588      0.575812  34.6267     201.52      3.41832     201.52      
1 1 1 15 20 12 f 60.4008 2.88229 7.02545      0.906742  6.98924      0.887466  65.3179     180.485     0           0           
1 1 1 15 20 13 o 8.84244 2.73472 -0.234444    0.289521  0.0595741    0.211572  1.9721      309.773     12.4002     309.773     
1 1 1 15 20 14 o 10.2435 3.0021  -0.0706168   0.290452  0.156277     0.248522  0.551094    161.646     9.1074      341.646     
1 1 1 15 20 15 o 30.3981 3.17619 1.80419      0.491034  1.84417      0.479499  24.6816     52.4361     7.92941     232.436     
1 1 1 15 20 16 o 16.3223 3.07159 1.00684      0.341364  -0.00886493  0.300565  9.16406     31.6902     8.62733     211.69      
1 1 1 15 20 17 o 51.4476 2.57388 5.25842      0.692511  4.89137      0.671357  51.3251     95.2811     3.32643     95.2811     
1 1 1 15 20 18 o 23.1996 3.73785 1.12971      0.447364  1.09414      0.431546  10.446      133.557     21.8112     313.557     
1 1 1 15 20 19 o 17.001  3.67625 0.275031     0.38821   0.84803      0.373324  11.2157     237.481     4.90675     57.4805     
1 1 1 15 20 20 o 56.8721 2.65183 5.77767      0.771706  6.72249      0.779843  57.898      148.667     6.45591     148.667     
1 1 1 15 20 21 o 13.712  3.72832 0.228763     0.385287  0.349365     0.365109  2.81306     232.337     16.4156     52.3367     
1 1 1 15 20 22 o 10.613  3.10482 -0.488577    0.350956  0.295707     0.302814  2.17481     83.9226     6.5785      263.923     
1 1 1 15 20 23 o 16.488  3.91093 0.849007     0.439271  0.208283     0.40221   10.964      10.3368     4.71594     190.337     
1 1 1 15 20 24 o 27.9768 3.95832 1.83295      0.571799  1.51758      0.536712  23.1644     242.886     5.00875     62.8857     
1 1 1 15 20 25 o 21.3128 4.36342 0.771101     0.505296  1.2684       0.533017  16.503      78.9978     4.3523      258.998     
1 1 1 15 20 26 o 12.6062 3.76939 0.0531703    0.442743  0.205297     0.411218  0.695237    165.681     19.2155     345.681     
1 1 1 15 20 27 o 11.4812 3.49896 0.312431     0.410519  -0.439229    0.410933  4.91981     25.8324     2.70229     205.832     
1 1 1 15 20 28 o 17.6123 4.39066 0.866035     0.507724  0.502933     0.508898  9.36917     168.75      11.4691     348.75      
1 1 1 15 20 29 o 6.66398 2.32937 -0.716445    0.305612  -0.511307    0.287879  2.27204     162.143     9.21305     162.143     
1 1 1 15 20 30 o 11.8082 3.59821 -0.497209    0.418763  0.410926     0.454236  4.18452     133.637     6.50184     313.637     
1 1 1 15 20 31 f 16.6855 4.55612 0.755549     0.512431  0.426724     0.648675  17.7106     325.552     0           0           
1 1 1 15 20 32 o 13.1405 4.31699 0.0545127    0.738129  -0.325635    0.676639  5.72933     172.73      2.09937     352.73      
1 1 1 15 20 33 o 15.2431 4.67643 0.81941      0.830026  0.098094     0.51124   4.70778     297.432     14.8957     117.431     
1 1 1 15 20 34 o 13.6641 4.06548 0.619196     0.541237  -0.0985777   0.477626  7.26241     31.9403     3.27764     211.94      
1 1 1 15 20 35 o 11.618  3.70876 -0.133069    0.482965  0.127074     0.47382   1.76814     276.866     0.826276    96.8656     
1 1 1 15 20 36 o 9.40111 3.19447 -0.127224    0.484507  -0.733276    0.409917  0.173609    334.875     3.37699     154.875     
1 1 1 15 20 37 o 9.62207 3.24854 -0.684002    0.464553  -0.135143    0.457164  0.464798    131.817     8.02912     131.817     
1 1 1 15 20 38 o 21.2177 4.89368 1.67763      0.670275  0.944438     0.594506  18.2231     282.519     4.57627     282.519     
1 1 1 15 20 39 o 15.046  4.32199 0.886151     0.556187  0.0408068    0.586813  8.46178     78.8435     2.09333     258.844     
1 1 1 15 20 40 o 7.51843 2.65308 -1.1283      0.431728  -0.661211    0.412588  0.996927    308.888     5.50479     308.888     
1 1 1 15 20 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 21 0  o 9.08741 3.92127 0.150609     0.349169  0.150609     0.349169  0.220834    90.0001     4.80754     90.0001     
1 1 1 15 21 1  o 34.5044 3.29263 2.43519      0.58017   2.24378      0.567228  28.4787     11.5225     8.98976     191.522     
1 1 1 15 21 2  o 40.5074 3.06414 3.1618       0.633948  3.20796      0.632817  37.6283     28.2902     2.77322     208.29      
1 1 1 15 21 3  o 48.7165 2.82799 4.27285      0.703452  4.85437      0.710116  49.4362     183.218     4.36845     183.218     
1 1 1 15 21 4  o 12.7942 3.51907 0.309665     0.349178  0.126218     0.326718  1.83284     60.1268     0.444687    240.127     
1 1 1 15 21 5  o 41.4893 3.16715 3.53253      0.6796    3.18699      0.660411  41.6932     108.54      3.6634      108.54      
1 1 1 15 21 6  o 40.2197 3.01947 2.6781       0.598685  3.6409       0.632495  38.8683     89.1637     0.531474    89.1637     
1 1 1 15 21 7  o 16.7031 3.50851 0.842783     0.364278  0.248605     0.333851  11.2269     259.649     3.96043     79.6494     
1 1 1 15 21 8  o 39.2116 3.1878  3.59405      0.584433  2.47155      0.646738  30.6398     63.7961     14.1042     243.796     
1 1 1 15 21 9  o 18.6561 4.19188 0.561219     0.466804  0.83992      0.456586  7.85233     240.099     17.1507     60.0991     
1 1 1 15 21 10 o 25.4689 5.19577 1.4012       0.711087  1.44574      0.736482  14.2084     43.097      18.5134     223.097     
1 1 1 15 21 11 o 19.9085 4.86893 1.04962      0.634     0.529459     0.616988  13.0057     267.379     8.18262     87.3786     
1 1 1 15 21 12 o 23.9835 5.69411 1.72638      0.874716  0.76871      0.865416  21.5388     45.713      1.68315     45.713      
1 1 1 15 21 13 o 37.8421 5.18717 2.85085      1.07805   3.4053       0.863211  40.328      271.346     9.87092     271.346     
1 1 1 15 21 14 o 30.5113 4.74191 2.30642      0.726416  1.72818      0.736544  32.9694     47.9281     10.6624     47.9281     
1 1 1 15 21 15 f 38.8962 4.34235 3.81929      0.843748  2.56628      0.825564  36.788      257.946     0           0           
1 1 1 15 21 16 o 30.413  4.90723 1.74907      0.74606   2.33277      0.772311  21.2073     149.763     14.1103     329.763     
1 1 1 15 21 17 o 62.8837 3.56574 8.2458       1.15259   7.63919      1.15094   72.9218     259.465     25.3825     259.465     
1 1 1 15 21 18 o 43.6745 4.51232 4.67123      0.964637  3.49752      0.990057  42.7835     184.133     3.06087     184.133     
1 1 1 15 21 19 o 31.1095 5.15622 2.66112      0.795137  1.77735      0.860795  22.7145     325.944     12.1828     145.944     
1 1 1 15 21 20 o 18.5282 4.23999 1.09784      0.450175  -0.0913416   0.720883  16.6589     147.355     5.09548     147.355     
1 1 1 15 21 21 o 24.5072 3.82115 0.758798     0.436774  1.89352      0.534783  23.9973     142.254     4.57794     142.254     
1 1 1 15 21 22 o 23.6893 4.09241 1.15834      0.452294  1.30186      0.544531  18.151      60.1327     6.19877     240.133     
1 1 1 15 21 23 o 24.2808 3.61286 1.54311      0.455023  0.98667      0.428961  28.8574     74.8287     17.0825     74.8287     
1 1 1 15 21 24 o 39.6447 3.18818 2.61745      0.632753  3.86194      0.624238  43.1747     314.001     12.7264     314.001     
1 1 1 15 21 25 o 20.5679 4.13205 0.750571     0.478923  1.16794      0.463863  16.4206     242.304     2.85789     62.304      
1 1 1 15 21 26 o 37.3731 3.57486 3.30249      0.691031  2.66907      0.654765  40.122      249.37      11.6181     249.37      
1 1 1 15 21 27 o 18.9621 4.01877 0.216294     0.493294  1.34474      0.493188  14.0194     344.469     3.77832     164.469     
1 1 1 15 21 28 o 15.6998 4.07639 0.741597     0.463469  0.292963     0.43168   11.0954     160.833     2.52895     160.833     
1 1 1 15 21 29 o 9.879   3.14718 0.190574     0.383094  -0.534889    0.333964  1.03804     3.70658     6.75237     183.707     
1 1 1 15 21 30 o 21.4394 4.54693 1.27883      0.556909  1.03553      0.537638  13.4476     99.8749     9.78728     279.875     
1 1 1 15 21 31 o 25.9182 4.3742  0.950447     0.605319  2.46582      0.635196  26.8021     325.976     9.77159     325.976     
1 1 1 15 21 32 o 13.1108 3.95535 -0.422691    0.543171  0.570703     0.507438  6.39035     111.643     1.206       291.643     
1 1 1 15 21 33 o 25.7193 4.86525 1.71867      0.713922  1.85151      0.618909  26.2073     21.0142     9.96745     21.0142     
1 1 1 15 21 34 o 10.3159 3.54389 -0.476298    0.611986  -0.736149    0.581061  0.975303    124.338     5.99069     304.338     
1 1 1 15 21 35 o 11.0142 3.65595 -0.455443    0.644881  -0.0505156   0.442219  1.29171     185.224     4.27882     5.22413     
1 1 1 15 21 36 o 12.071  3.8523  0.010999     0.511309  0.104408     0.512518  0.890692    85.8213     0.589811    265.821     
1 1 1 15 21 37 o 15.4083 4.37762 0.936837     0.580122  0.155583     0.545249  8.7669      312.241     2.70835     132.241     
1 1 1 15 21 38 o 16.1592 4.58309 0.771066     0.604837  0.667562     0.564129  9.89655     100.991     3.2481      100.991     
1 1 1 15 21 39 o 12.4157 3.98587 -0.183817    0.578701  0.322434     0.559696  5.15747     57.6113     2.597       237.611     
1 1 1 15 21 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 22 0  o 33.9976 3.38248 2.30627      0.562206  2.30627      0.562206  36.0882     270         5.62486     270         
1 1 1 15 22 1  o 20.136  3.87378 1.02441      0.423608  0.653123     0.419245  11.3712     8.44291     12.876      188.443     
1 1 1 15 22 2  o 27.2888 3.62279 1.33918      0.492657  1.69162      0.492686  16.8113     213.09      17.2157     33.0897     
1 1 1 15 22 3  o 47.9753 2.86402 4.87157      0.712006  4.0607       0.695436  58.0949     190.587     24.7744     190.587     
1 1 1 15 22 4  o 33.2272 3.32422 1.64408      0.540885  2.81222      0.53324   26.6482     233.842     9.3313      53.8422     
1 1 1 15 22 5  o 8.38258 3.469   -0.573382    0.149775  0.0444813    0.17388   0.572536    58.5824     3.36542     58.5824     
1 1 1 15 22 6  o 14.6135 4.23248 0.252793     0.367522  0.238485     0.658558  7.44693     195.898     5.00579     15.8982     
1 1 1 15 22 7  o 24.2648 5.1885  1.66964      0.691574  0.87781      0.800199  17.1974     107.426     9.07323     287.426     
1 1 1 15 22 8  o 15.6489 4.47952 0.51302      0.567171  0.060489     0.58912   9.51598     280.86      1.55312     100.86      
1 1 1 15 22 9  o 37.5363 4.5178  2.93075      0.833879  3.032        0.861327  39.4642     161.279     8.85636     161.279     
1 1 1 15 22 10 o 9.50345 3.20432 -1.1174      0.342952  0.0063135    0.495697  1.51266     165.075     13.5106     165.075     
1 1 1 15 22 11 o 28.8105 4.76396 2.85612      0.76719   0.875258     0.740672  22.7657     132.423     7.34259     312.423     
1 1 1 15 22 12 o 24.6886 5.15491 1.98838      0.723904  0.605524     0.866371  17.0331     161.743     10.3132     341.743     
1 1 1 15 22 13 o 16.8568 5.08732 0.542857     0.819853  -0.0430096   0.769846  2.5425      289.939     23.9532     109.939     
1 1 1 15 22 14 o 44.0273 4.05538 4.33039      0.892563  3.75333      0.907163  50.3928     277.049     18.166      277.049     
1 1 1 15 22 15 o 23.0914 5.09654 0.738931     0.708902  1.66413      0.714733  14.6319     349.195     11.9499     169.195     
1 1 1 15 22 16 o 21.6324 4.09103 2.15916      0.671384  -0.805531    0.698947  21.2942     200.765     6.27363     200.765     
1 1 1 15 22 17 o 29.1403 5.09948 1.23209      0.745694  2.80553      0.84989   22.9635     344.741     7.34068     164.741     
1 1 1 15 22 18 o 15.1251 4.58448 0.0954208    0.600716  0.331847     0.683617  9.93766     106.242     1.61369     106.242     
1 1 1 15 22 19 o 16.7426 4.85215 0.611868     0.665745  0.268857     0.693443  12.2081     239.115     1.39039     59.1146     
1 1 1 15 22 20 o 26.2683 5.58518 1.94514      0.816356  1.53315      0.843212  26.5745     58.3785     7.36696     58.3785     
1 1 1 15 22 21 o 19.4725 5.11496 1.19115      0.71756   0.509644     0.703143  16.0991     99.568      0.05196     99.5683     
1 1 1 15 22 22 o 19.9567 5.23757 0.68855      0.696182  1.22878      0.762995  14.5456     56.3205     4.86189     236.321     
1 1 1 15 22 23 o 15.4788 4.6502  0.552808     0.648844  0.0477813    0.68257   8.61269     19.3872     7.3096      199.387     
1 1 1 15 22 24 o 19.7982 5.27553 0.958276     0.727027  1.00171      0.747925  15.5682     7.99748     1.30185     187.997     
1 1 1 15 22 25 o 9.6005  3.34672 -1.48432     0.522192  -0.416787    0.613497  0.691925    87.165      8.12841     267.165     
1 1 1 15 22 26 o 5.7519  1.84378 0.0772107    0.150922  -0.269028    0.0902404 4.97142     71.9366     13.9927     71.9366     
1 1 1 15 22 27 o 10.6485 3.39043 0.204079     0.48767   -0.152512    0.261755  0.69008     137.862     0.753809    317.862     
1 1 1 15 22 28 o 19.3291 4.38681 1.36982      0.600204  0.547997     0.417249  15.4741     143.38      0.0787006   143.38      
1 1 1 15 22 29 o 25.9601 4.37335 1.9567       0.600026  1.37415      0.569092  20.1537     352.14      4.93329     172.14      
1 1 1 15 22 30 o 13.8182 3.86158 0.683229     0.455051  -0.066007    0.43347   6.4369      138.23      7.07761     318.23      
1 1 1 15 22 31 o 9.16569 3.03877 -0.597825    0.398336  -0.0282602   0.361518  0.326294    223.83      8.78172     223.83      
1 1 1 15 22 32 o 12.5465 3.86741 0.392372     0.505175  -0.0838653   0.455748  3.66499     54.2556     2.32945     234.256     
1 1 1 15 22 33 o 14.1967 4.00096 -0.0672556   0.4852    0.758518     0.484847  5.77394     316.431     1.38888     136.431     
1 1 1 15 22 34 o 16.4826 4.28088 1.17169      0.559725  0.107343     0.504656  10.5324     89.9027     0.844123    89.9027     
1 1 1 15 22 35 o 13.6645 4.11888 0.116523     0.533203  0.519642     0.516479  5.87312     18.8584     4.87989     198.858     
1 1 1 15 22 36 f 11.9381 4.03844 -0.0190511   0.769389  -0.442547    0.622829  6.35315     346.665     0           0           
1 1 1 15 22 37 o 15.7592 4.80272 0.128594     0.74748   1.04855      0.741787  7.68445     71.942      3.17116     71.942      
1 1 1 15 22 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 23 0  o 36.355  3.25401 2.61921      0.586504  2.61921      0.586504  43.1824     270         16.0206     270         
1 1 1 15 23 1  o 6.98899 2.32665 -0.43777     0.237733  -0.10862     0.213366  4.69655     176.724     15.5919     176.724     
1 1 1 15 23 2  o 18.7096 3.72773 0.955677     0.39613   0.497015     0.380078  15.8671     101.372     8.38128     101.372     
1 1 1 15 23 3  o 11.717  3.38529 0.139478     0.299042  0.136436     0.352468  3.34876     359.983     3.21214     179.982     
1 1 1 15 23 4  o 11.3301 3.63731 -0.0273368   0.443032  -0.424437    0.505798  1.34607     168.401     12.3753     348.401     
1 1 1 15 23 5  o 9.24138 3.10767 -1.13372     0.313448  0.0643857    0.46631   1.92487     250.859     14.76       250.859     
1 1 1 15 23 6  o 13.1223 4.09439 0.0432369    0.5222    -0.102289    0.570814  2.75338     278.087     27.3131     278.087     
1 1 1 15 23 7  o 15.5104 4.51417 -0.278925    0.578547  0.701724     0.661168  9.57577     192.602     3.19943     12.6024     
1 1 1 15 23 8  o 19.0226 4.80428 1.05211      0.609094  0.350075     0.656378  7.67444     118.026     17.8839     298.026     
1 1 1 15 23 9  o 21.0721 5.00753 1.28963      0.65358   0.627977     0.693437  16.5109     171.595     2.94732     351.595     
1 1 1 15 23 10 o 34.8449 4.65628 2.59122      0.803412  2.74195      0.817017  33.0329     253.981     1.64288     253.981     
1 1 1 15 23 11 o 14.0625 4.22515 -0.48109     0.52951   0.561863     0.617626  6.88804     231.762     7.03513     51.7622     
1 1 1 15 23 12 o 17.3957 5.05984 0.276248     0.574171  0.769714     0.880345  5.29697     69.8698     3.11707     69.8698     
1 1 1 15 23 13 o 18.2007 5.42849 0.381389     0.836767  0.650225     0.915646  14.0675     32.0784     6.69255     32.0784     
1 1 1 15 23 14 f 20.4069 5.28074 0.0901615    0.955906  1.40378      0.726219  15.3486     218.506     0           0           
1 1 1 15 23 15 o 13.5575 4.28113 0.00254292   0.581775  -0.0409094   0.645595  6.2456      176.802     7.63241     356.802     
1 1 1 15 23 16 o 32.5126 5.35425 2.10259      0.855667  3.05268      0.927362  27.771      169.443     3.86553     349.443     
1 1 1 15 23 17 o 29.7727 4.996   3.4684       0.848345  0.903951     0.882172  32.8608     167.866     12.8767     167.866     
1 1 1 15 23 18 o 16.3924 4.75696 0.798269     0.675082  0.0047377    0.679182  12.4038     288.482     0.0765012   108.482     
1 1 1 15 23 19 o 21.9918 5.42921 1.41485      0.781408  1.07431      0.747619  19.1541     34.0965     1.08448     34.0964     
1 1 1 15 23 20 o 18.4111 5.05413 0.932082     0.689825  0.590766     0.705987  15.1278     163.658     8.14271     163.658     
1 1 1 15 23 21 o 31.5128 5.0898  1.54483      0.817333  3.55528      0.880217  34.5001     44.7585     13.4437     44.7585     
1 1 1 15 23 22 o 13.2079 4.24907 0.01571      0.613802  -0.108027    0.664128  1.67315     341.616     0.233932    341.616     
1 1 1 15 23 23 o 15.5727 4.5777  -0.346498    0.643153  0.941838     0.688909  7.62932     228.856     2.63415     228.856     
1 1 1 15 23 24 o 15.7608 4.78005 0.501044     0.689431  0.345818     0.712908  9.99405     302.452     1.19144     122.452     
1 1 1 15 23 25 o 14.362  4.58662 0.0648992    0.781006  0.208492     0.678873  6.2576      347.09      8.34844     167.09      
1 1 1 15 23 26 o 24.1942 5.54566 2.99171      0.980861  0.419004     0.942541  17.7037     253.12      5.84296     73.1197     
1 1 1 15 23 27 o 14.2511 4.49995 -0.0935648   0.64012   0.506593     0.723727  7.46243     167.272     0.714501    167.272     
1 1 1 15 23 28 o 19.8728 5.45854 1.51628      0.80204   0.845161     0.874278  16.5429     294.355     3.59647     294.355     
1 1 1 15 23 29 o 29.3881 5.65476 3.84136      0.99475   1.61524      0.971366  29.9709     247.937     10.8621     247.937     
1 1 1 15 23 30 o 17.2108 4.38583 1.03118      0.46087   0.148616     0.779049  11.7236     134.902     2.06754     134.902     
1 1 1 15 23 31 o 20.9066 4.35339 0.705585     0.559626  1.57192      0.532068  15.9786     265.409     0.717826    85.4088     
1 1 1 15 23 32 o 11.4733 3.60565 0.312281     0.481106  -0.176958    0.382184  2.32856     262.432     4.06352     82.4316     
1 1 1 15 23 33 o 10.08   3.30825 -0.0615622   0.44096   -0.19691     0.383431  0.551051    213.009     8.61469     33.0089     
1 1 1 15 23 34 o 14.7295 4.22928 0.788218     0.539343  0.204686     0.501871  6.33127     3.52069     8.74028     183.521     
1 1 1 15 23 35 o 13.4215 4.05857 0.000871607  0.53771   0.562184     0.508333  6.8057      338.428     2.03835     158.428     
1 1 1 15 23 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 24 0  o 17.8617 4.9     0.854771     0.431481  0.854771     0.431481  17.2755     270         1.53361     270         
1 1 1 15 24 1  o 61.153  2.99458 7.80222      0.875863  7.03853      0.995274  57.0539     338.735     1.70847     158.735     
1 1 1 15 24 2  o 14.3914 4.14603 -0.304231    0.478925  0.665557     0.570772  2.39951     203.641     19.1699     23.6414     
1 1 1 15 24 3  o 17.6823 4.71053 0.258248     0.558808  0.952307     0.6519    10.6111     358.463     8.28411     178.463     
1 1 1 15 24 4  o 22.8099 5.02855 0.879405     0.641779  1.54705      0.702426  18.3115     125.601     3.16371     305.601     
1 1 1 15 24 5  o 19.6364 4.51719 1.52215      0.634906  -0.157322    0.659843  12.3827     335.89      9.17346     155.89      
1 1 1 15 24 6  o 32.6468 5.28193 2.85576      0.865074  2.18685      0.892039  33.1981     204.335     7.23798     204.335     
1 1 1 15 24 7  o 43.404  4.97516 3.71807      1.09191   4.87099      1.04141   46.3546     215.743     12.2301     215.743     
1 1 1 15 24 8  o 11.8047 3.76523 -1.23237     0.426961  0.469079     0.611467  4.78535     324.479     3.45614     144.479     
1 1 1 15 24 9  o 25.2084 5.3091  2.10603      0.773988  0.965076     0.823754  20.7116     134.245     3.1906      314.245     
1 1 1 15 24 10 o 14.7697 4.52251 -0.125076    0.608423  0.440755     0.682705  8.37894     340.028     5.73274     160.028     
1 1 1 15 24 11 o 23.5998 5.41109 1.15499      0.741926  1.62786      0.783579  24.9177     156.325     10.9227     156.325     
1 1 1 15 24 12 o 25.9889 5.53718 1.68898      0.785104  1.76054      0.82968   24.8745     269.572     4.37699     269.572     
1 1 1 15 24 13 o 14.0091 4.66702 -1.00646     0.872558  0.0311999    0.905105  8.4116      249.094     0.50564     249.094     
1 1 1 15 24 14 o 21.4745 5.78648 1.11441      1.02532   1.2561       0.79647   16.5077     260.695     3.43296     80.6946     
1 1 1 15 24 15 o 30.4574 4.85595 3.91899      0.896965  0.835963     0.80536   22.3473     302.313     10.5184     122.313     
1 1 1 15 24 16 o 25.7424 5.581   1.60813      0.82207   1.92045      0.816351  21.8216     77.3005     1.22816     257.3       
1 1 1 15 24 17 o 13.8958 4.38058 0.0558157    0.607402  0.112895     0.670444  7.44906     111.604     0.00332033  291.606     
1 1 1 15 24 18 o 13.4703 4.20964 -0.680508    0.598496  0.539726     0.641249  6.75507     116.844     2.81905     296.844     
1 1 1 15 24 19 o 9.93044 3.38868 -0.0876671   0.547019  -1.60041     0.540331  0.0367545   148.905     11.3983     328.905     
1 1 1 15 24 20 o 15.7729 4.68529 0.771462     0.659588  -0.0420928   0.7099    8.59509     88.5384     6.31983     268.538     
1 1 1 15 24 21 o 20.7212 5.38427 1.37389      0.754218  1            0.78362   13.5768     252.41      7.17471     72.4102     
1 1 1 15 24 22 o 11.4126 3.84303 -0.600371    0.619548  -0.256791    0.634599  1.20277     125.433     0.645272    305.433     
1 1 1 15 24 23 o 11.6817 3.89521 -0.936364    0.596326  0.132395     0.653033  0.237883    232.311     17.7289     232.311     
1 1 1 15 24 24 o 22.7814 5.59032 1.75218      0.800131  1.40019      0.830017  18.7087     58.0883     0.119558    238.088     
1 1 1 15 24 25 o 14.1307 4.55806 -0.492963    0.795329  0.52406      0.749469  5.0891      209.629     0.758867    209.629     
1 1 1 15 24 26 o 13.4277 4.50973 0.436644     0.912735  -1.01871     0.788911  4.96503     17.8727     1.56938     197.873     
1 1 1 15 24 27 o 15.5593 4.93673 0.562721     0.827015  0.294774     0.830367  7.72102     152.725     5.32651     332.725     
1 1 1 15 24 28 o 15.7842 4.87934 -0.0475005   0.807388  0.943204     0.779934  6.81524     104.728     8.36655     284.728     
1 1 1 15 24 29 o 20.1843 5.63594 1.34424      0.86981   1.38009      0.871644  11.4728     55.053      8.82193     235.053     
1 1 1 15 24 30 o 15.2789 4.8775  0.396145     0.768372  0.495551     0.872405  7.10376     358.314     0.723447    358.314     
1 1 1 15 24 31 o 10.3592 3.65542 -0.58541     0.779049  -2.23719     0.824559  0.916773    55.7611     8.42815     235.761     
1 1 1 15 24 32 o 12.6575 4.27528 -0.510225    0.87634   0.00440866   0.728132  3.89553     142.185     0.829583    322.185     
1 1 1 15 24 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 24 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 25 0  o 29.9233 5.69771 2.17757      0.763669  2.17757      0.763669  23.5871     270         9.3078      90          
1 1 1 15 25 1  o 9.91858 3.19252 -0.104146    0.297596  -0.135602    0.416936  0.0892084   125.492     14.2067     125.492     
1 1 1 15 25 2  o 20.6174 4.56185 1.50752      0.594108  0.382487     0.620701  18.6758     260.029     2.86655     260.029     
1 1 1 15 25 3  o 15.0542 4.22968 0.757353     0.538419  -0.276057    0.569017  9.31032     141.014     4.79356     321.014     
1 1 1 15 25 4  o 20.1128 5.00767 1.17154      0.643246  0.730543     0.684197  18.4161     161.032     4.15104     161.032     
1 1 1 15 25 5  o 22.0187 4.85155 1.90644      0.699193  0.23496      0.767808  22.3841     127.369     8.53678     127.369     
1 1 1 15 25 6  o 10.9705 3.62937 -0.183812    0.493669  -0.499435    0.546109  3.71308     105.154     2.71131     285.154     
1 1 1 15 25 7  o 17.5409 4.86532 0.188392     0.667327  1.00492      0.685301  14.7945     121.458     6.07641     121.458     
1 1 1 15 25 8  o 18.1896 4.96838 1.25403      0.732356  -0.0494842   0.742952  15.8224     120.213     6.73987     120.213     
1 1 1 15 25 9  o 15.5481 4.71096 0.352185     0.642356  0.293278     0.716096  10.5018     100.354     2.92273     100.354     
1 1 1 15 25 10 o 28.1989 5.66319 2.2581       0.878657  1.97388      0.856895  29.6927     342.309     10.9198     342.309     
1 1 1 15 25 11 o 9.52295 3.2845  -0.892818    0.464268  -0.496761    0.561997  0.585088    144.731     8.84615     324.731     
1 1 1 15 25 12 o 23.8968 5.04719 2.29438      0.775501  0.60448      0.754254  22.4223     213.314     4.69441     213.314     
1 1 1 15 25 13 o 42.0531 5.23879 3.76803      0.986176  5.12884      1.21892   44.9409     348.704     13.9676     348.704     
1 1 1 15 25 14 o 17.209  5.27577 0.813402     1.01      0.375933     0.716774  8.67035     167.394     9.95668     347.394     
1 1 1 15 25 15 o 20.5381 5.3241  0.838453     0.74127   1.41138      0.767577  18.0324     250.461     5.06257     250.461     
1 1 1 15 25 16 o 11.6461 3.88893 -0.329313    0.591306  -0.366929    0.639136  1.4281      127.351     13.0308     307.351     
1 1 1 15 25 17 o 15.9626 4.61135 -0.472211    0.666117  1.11694      0.705558  10.6785     235.413     1.08014     235.413     
1 1 1 15 25 18 f 26.0331 5.67627 2.13508      0.836497  1.8056       0.858516  23.4813     154.27      0           0           
1 1 1 15 25 19 o 11.1094 3.74625 -0.880269    0.577838  -0.075654    0.62683   2.52127     266.536     7.77319     86.5359     
1 1 1 15 25 20 o 17.8712 5.07287 0.0983512    0.775345  1.36592      0.781016  13.6154     284.654     1.18761     284.654     
1 1 1 15 25 21 o 14.648  4.58291 0.66265      0.713825  -0.2449      0.715657  6.36646     44.0617     8.7864      224.062     
1 1 1 15 25 22 o 15.4176 4.76536 0.749027     0.739768  0.0458523    0.741041  9.04437     293.576     0.32134     113.576     
1 1 1 15 25 23 o 16.786  5.00093 1.06706      0.769476  0.222444     0.772332  10.4424     102.757     2.13687     282.757     
1 1 1 15 25 24 o 13.3467 4.41894 0.0371718    0.714793  -0.208042    0.826689  3.17002     233.239     11.3711     53.2393     
1 1 1 15 25 25 o 13.1565 4.44401 -0.444342    0.815041  -0.0874732   0.881004  3.64689     332.779     2.94091     152.779     
1 1 1 15 25 26 o 22.9458 6.08835 1.26028      1.08194   2.56106      1.02454   18.3959     283.714     1.35396     283.714     
1 1 1 15 25 27 f 15.4575 4.72455 1.11168      0.766893  -0.369696    0.739563  12.4824     214.221     0           0           
1 1 1 15 25 28 o 17.298  5.08054 0.0442895    0.791557  1.53144      0.833315  8.90421     345.778     8.28364     165.778     
1 1 1 15 25 29 f 11.1156 3.81233 -0.198506    0.68829   -0.919387    0.690712  7.55544     314.586     0           0           
1 1 1 15 25 30 o 13.6865 4.46846 0.629985     0.780454  -0.484407    0.741825  6.56803     72.2693     0.528455    252.269     
1 1 1 15 25 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 26 0  o 9.64882 4.8419  -0.912592    1.02294   -0.912592    1.02294   0.97984     270         4.13947     90          
1 1 1 15 26 1  o 26.5689 7.05994 1.88647      1.3618    3.08347      1.35616   21.633      22.419      1.81494     202.419     
1 1 1 15 26 2  o 10.2681 3.35456 -0.319632    0.462758  -0.100425    0.382625  1.74031     117.003     5.37405     297.003     
1 1 1 15 26 3  o 19.6735 4.80807 0.98145      0.574278  0.927679     0.621161  17.1168     298.806     4.25364     298.806     
1 1 1 15 26 4  o 22.8298 4.96897 1.73699      0.665389  0.915229     0.694655  22.1897     139.506     7.73349     139.506     
1 1 1 15 26 5  o 18.1757 4.85291 1.08564      0.642384  0.423041     0.661907  14.5549     203.636     3.48607     203.636     
1 1 1 15 26 6  o 23.5348 4.66268 0.249191     0.684323  2.50072      0.758994  20.3148     69.4849     1.05033     69.4849     
1 1 1 15 26 7  o 14.5999 4.40094 0.666738     0.61614   -0.364703    0.655162  5.29622     329.156     11.487      149.156     
1 1 1 15 26 8  o 31.0725 5.30722 1.98147      0.841916  3.1149       0.876793  29.9561     45.877      5.74273     45.877      
1 1 1 15 26 9  o 31.3781 5.94303 3.27093      0.994722  2.3737       1.01222   26.2408     240.573     2.55722     60.5732     
1 1 1 15 26 10 o 23.2731 5.33393 2.09191      0.788632  0.862155     0.811486  14.3413     7.06342     11.0942     187.063     
1 1 1 15 26 11 o 50.1761 4.34036 6.32414      1.125     5.49699      1.08282   58.2776     138.147     26.0651     138.147     
1 1 1 15 26 12 o 13.6068 4.34928 -0.210299    0.639974  0.297705     0.680821  4.49982     345.728     0.402977    345.728     
1 1 1 15 26 13 o 19.6458 5.57303 1.16904      0.778273  0.987065     0.99263   14.4497     349.466     1.89914     169.466     
1 1 1 15 26 14 o 16.405  5.15083 -0.592962    1.00534   1.04424      0.903226  10.9621     205.788     2.23344     205.788     
1 1 1 15 26 15 o 21.4886 5.86186 1.14775      1.15165   1.69952      0.842362  19.5982     345.686     10.905      345.686     
1 1 1 15 26 16 o 15.2997 4.74581 0.643857     0.722687  0.0323256    0.756065  9.46955     287.593     0.672478    107.593     
1 1 1 15 26 17 o 20.5072 5.43103 1.38968      0.769403  1.13079      0.800219  17.2124     63.082      3.33082     63.082      
1 1 1 15 26 18 o 15.4811 4.55555 -1.03459     0.6776    1.32429      0.761673  8.83795     115.593     3.19474     295.593     
1 1 1 15 26 19 o 26.4754 5.71541 2.65651      0.858264  1.71865      0.956714  27.8262     142.839     15.0736     142.839     
1 1 1 15 26 20 o 25.6798 5.79852 1.72666      0.868898  2.50114      0.904329  24.8379     74.3218     9.60312     74.3218     
1 1 1 15 26 21 o 18.8365 5.35455 1.14287      0.794283  1.00914      0.808245  10.6057     81.0947     7.26229     261.095     
1 1 1 15 26 22 o 13.8046 4.46397 -0.220636    0.689793  0.429124     0.751094  4.5975      200.413     1.66321     20.413      
1 1 1 15 26 23 o 14.8125 4.77366 -0.174242    0.780942  0.696064     0.854757  6.97411     288.229     3.04293     108.229     
1 1 1 15 26 24 o 15.042  4.81562 0.00906782   0.794292  0.706624     0.835964  6.63003     89.4955     0.572664    89.4955     
1 1 1 15 26 25 o 15.0924 4.77744 -0.205086    0.868031  0.843021     0.766244  8.11874     17.6398     0.608254    197.64      
1 1 1 15 26 26 o 11.5484 3.96665 -0.50255     0.65883   -0.47813     0.825007  3.08688     73.1385     5.64167     253.138     
1 1 1 15 26 27 o 13.8509 4.54337 0.315062     0.777934  -0.0174056   0.787382  6.94569     63.8305     1.25013     243.831     
1 1 1 15 26 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 27 0  o 7.59787 3.94833 -2.41818     1.06111   -2.41818     1.06111   1.72288     270         9.11497     270         
1 1 1 15 27 1  o 14.6759 4.98823 -0.256688    1.14519   -0.518928    1.06832   4.06399     262.53      1.08055     262.53      
1 1 1 15 27 2  f 20.8706 6.38178 1.35293      1.30788   1.59935      1.23576   10.2312     80.1996     0           0           
1 1 1 15 27 3  o 20.5632 6.06012 1.77239      1.27186   1.00614      0.867632  16.4269     161.34      1.28302     161.34      
1 1 1 15 27 4  o 17.5397 4.74682 0.712421     0.574314  0.804794     0.63106   13.6322     29.8066     3.64937     29.8066     
1 1 1 15 27 5  o 13.5101 4.12101 0.575118     0.556118  -0.465775    0.596528  6.60713     102.712     0.985193    282.712     
1 1 1 15 27 6  o 12.7713 4.11215 0.0698371    0.590093  -0.0970857   0.610758  2.45547     147.937     0.0511856   147.937     
1 1 1 15 27 7  o 16.4414 4.86412 0.486751     0.684974  0.698029     0.706673  11.2947     202.509     0.112968    22.5084     
1 1 1 15 27 8  o 15.5792 4.65921 0.989579     0.71782   -0.351092    0.69746   9.9318      66.8766     1.30554     246.877     
1 1 1 15 27 9  o 12.0702 4.01002 0.0751878    0.650991  -0.721647    0.656224  1.68612     179.243     13.743      359.243     
1 1 1 15 27 10 o 10.5011 3.59387 -0.43368     0.55456   -0.810342    0.657303  0.544881    356.429     11.7066     176.429     
1 1 1 15 27 11 o 18.8276 5.18878 1.44896      0.76882   0.444138     0.78635   12.532      56.7694     6.84509     56.7694     
1 1 1 15 27 12 o 23.8187 5.73362 2.1068       0.845875  1.47834      0.899361  23.468      139.98      13.7237     139.98      
1 1 1 15 27 13 o 12.9418 4.26287 -0.864017    0.674244  0.429992     0.75461   4.51683     65.8695     5.57867     245.87      
1 1 1 15 27 14 o 19.2502 5.18818 -0.430185    0.689602  2.40412      0.983372  14.5585     176.032     5.95073     176.032     
1 1 1 15 27 15 o 12.1046 4.11115 -0.970832    0.865327  -0.154245    0.686255  2.69652     180.355     3.95987     0.355042    
1 1 1 15 27 16 f 19.8105 5.46038 1.06012      0.798703  1.39271      0.824256  8.75912     213.84      0           0           
1 1 1 15 27 17 f 15.5129 4.79324 0.216868     0.730117  0.70819      0.745535  2.60409     48.9992     0           0           
1 1 1 15 27 18 o 12.0649 4.01544 -1.10476     0.635244  0.340923     0.698179  2.70536     37.6455     4.46745     217.645     
1 1 1 15 27 19 o 12.7015 4.23266 0.0799531    0.723916  -0.456939    0.733402  3.751       189.147     6.04917     9.14659     
1 1 1 15 27 20 o 13.1041 4.30103 -0.253644    0.687907  0.240066     0.71911   2.78602     135.468     0.56908     315.468     
1 1 1 15 27 21 f 14.1575 4.5971  -0.638287    0.708873  0.891541     0.859382  8.6912      43.4045     0           0           
1 1 1 15 27 22 o 19.8485 5.05776 -0.51074     0.798496  2.57548      0.908212  10.1464     185.823     6.74701     185.823     
1 1 1 15 27 23 o 15.6448 4.88671 0.948921     0.813079  0.149578     0.771314  9.27456     359.61      1.84251     359.61      
1 1 1 15 27 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 27 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 28 0  o 12.4137 6.28877 -0.976467    1.88896   -0.976467    1.88896   2.91925     270         2.06471     90.0001     
1 1 1 15 28 1  o 20.6397 6.83767 1.59029      1.39684   2.83144      2.49611   11.3903     321.089     9.43339     141.089     
1 1 1 15 28 2  o 17.4073 5.79937 -0.314218    1.29101   1.41319      1.42634   8.75329     13.0358     8.05493     193.036     
1 1 1 15 28 3  o 12.1877 4.32174 -1.53296     1.1433    -2.18331     1.22535   3.01169     191.402     5.87421     11.4021     
1 1 1 15 28 4  o 13.9987 4.87796 -1.16158     1.15615   -0.488787    1.32903   5.52467     43.0177     3.60518     223.018     
1 1 1 15 28 5  o 12.4095 3.94152 -0.2968      0.489728  0.369756     0.580092  2.45717     24.2343     1.55662     204.234     
1 1 1 15 28 6  o 13.8224 4.3502  -0.0113813   0.606205  0.418076     0.656454  3.03488     67.009      0.244233    247.009     
1 1 1 15 28 7  o 19.4944 4.6484  1.9859       0.727883  -0.307044    0.712086  12.6633     236.845     6.97356     236.845     
1 1 1 15 28 8  o 15.093  4.71205 0.14133      0.727857  0.603025     0.73191   5.22097     189.055     0.326941    189.055     
1 1 1 15 28 9  o 15.672  4.79136 0.19375      0.689542  0.804913     0.753017  5.59532     70.9431     0.849882    70.9431     
1 1 1 15 28 10 o 18.9829 5.39913 0.619028     0.87061   1.4815       0.831769  13.4023     152.006     2.24501     152.006     
1 1 1 15 28 11 o 15.2866 4.72123 -0.594323    0.704168  1.13885      0.818479  7.27411     350.664     1.00484     170.664     
1 1 1 15 28 12 o 21.9895 5.689   1.07876      0.850119  2.09294      0.902252  18.8218     284.116     6.5443      284.116     
1 1 1 15 28 13 f 19.5693 5.51015 1.50911      0.849318  0.919997     0.861562  15.8595     239.328     0           0           
1 1 1 15 28 14 o 15.5649 5.03565 0.365562     0.779263  0.495438     1.04882   7.97241     251.586     3.68733     71.5859     
1 1 1 15 28 15 f 16.3517 5.26894 1.02546      1.01871   0.138005     0.972777  12.2205     309.698     0           0           
1 1 1 15 28 16 o 11.6889 3.97245 -0.319232    0.689192  -0.480483    0.718772  2.90293     238.812     4.81705     58.8116     
1 1 1 15 28 17 f 16.5795 5.102   0.453948     0.818915  1.03571      0.839562  15.078      328.811     0           0           
1 1 1 15 28 18 o 12.3881 4.15515 -0.00996748  0.709046  -0.396327    0.734794  1.60949     183.949     0.252943    3.94895     
1 1 1 15 28 19 o 16.7884 5.05615 1.37892      0.816589  -0.152998    0.909384  11.5777     356.738     1.6047      356.738     
1 1 1 15 28 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 28 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 29 0  f 7.34823 3.8379  -2.85862     1.11627   -2.85862     1.11627   10.0427     90          0           0           
1 1 1 15 29 1  o 19.5754 6.20962 0.435038     1.36057   2.37547      1.36713   13.8165     267.572     0.804431    267.572     
1 1 1 15 29 2  o 15.3262 5.21907 -0.2943      1.2202    0.273643     1.2371    6.74673     91.8025     6.70704     271.803     
1 1 1 15 29 3  o 18.58   5.84726 2.61304      1.31376   -1.11231     1.22463   12.4924     86.9316     3.58028     86.9316     
1 1 1 15 29 4  o 15.8782 5.40544 0.263577     1.35854   0.0952656    1.26813   8.38606     62.9361     1.94657     242.936     
1 1 1 15 29 5  o 16.7083 5.56915 -0.408296    1.29982   1.28863      1.27177   9.76165     90.1954     0.0794797   270.195     
1 1 1 15 29 6  o 37.7623 4.87304 4.00282      0.891074  3.56314      0.939686  41.6306     346.098     19.5335     346.098     
1 1 1 15 29 7  o 12.6374 4.12099 0.185553     0.607634  -0.253387    0.669     2.5941      240.482     0.852018    60.4818     
1 1 1 15 29 8  o 19.5402 5.44278 1.49456      0.811258  0.99424      0.840001  14.7868     251.022     1.71718     251.022     
1 1 1 15 29 9  o 21.0761 5.74156 1.40548      0.887848  1.75395      0.893283  15.0317     117.792     2.36249     297.792     
1 1 1 15 29 10 o 18.8123 5.55271 1.25941      0.869815  1.17138      0.941467  12.3763     303.262     6.14613     303.262     
1 1 1 15 29 11 o 12.4279 4.26183 -0.363391    0.816673  -0.582881    0.898108  3.84649     305.351     1.97812     125.351     
1 1 1 15 29 12 o 14.3215 4.73039 0.00421667   0.801715  0.36298      0.92621   7.19989     114.212     1.06765     294.212     
1 1 1 15 29 13 o 20.0137 5.44043 2.25935      0.913999  0.156816     0.961421  13.9076     318.451     2.94654     138.451     
1 1 1 15 29 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 29 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 29 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 15 30 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 0  0  o 159.462 3.331   46.7872      2.74791   46.7872      2.74791   169.565     180         21.4595     8.6507e-06  
1 1 1 16 0  1  o 39.6773 3.53215 3.02775      0.695246  3.02775      0.695246  10.1547     90.0001     1.03134     90.0001     
1 1 1 16 0  2  o 216.495 2.35975 86.0778      2.64674   86.0778      2.64674   372.906     180         256.382     180         
1 1 1 16 0  3  o 74.6037 2.66243 10.2958      1.02359   10.2958      1.02359   120.004     90          79.3959     90          
1 1 1 16 0  4  o 26.052  5.35005 1.52692      0.62697   1.52692      0.62697   15.9844     8.65208e-06 75.4635     8.65208e-06 
1 1 1 16 0  5  o 19.2331 5.84579 0.972091     0.597242  0.972091     0.597242  1.63259     90          5.01279     90          
1 1 1 16 0  6  o 145.231 2.36389 38.7716      1.77746   38.7716      1.77746   231.693     360         135.753     360         
1 1 1 16 0  7  f 237.392 2.39883 103.497      2.95052   103.497      2.95052   185.658     270         0           0           
1 1 1 16 0  8  o 82.7961 2.61701 12.6607      1.11805   12.6607      1.11805   94.9444     360         3.4619      360         
1 1 1 16 0  9  o 69.3848 2.75471 8.92356      0.98357   8.92356      0.98357   40.3212     270         75.419      90          
1 1 1 16 0  10 o 59.9931 2.90041 6.70271      0.892129  6.70271      0.892129  34.3588     180         66.0127     8.65119e-06 
1 1 1 16 0  11 f 40.3366 3.58552 3.12993      0.7176    3.12993      0.7176    44.4257     90          0           0           
1 1 1 16 0  12 o 46.0188 3.45498 4.023        0.800813  4.023        0.800813  45.3043     180         8.55088     8.65219e-06 
1 1 1 16 0  13 o 87.4353 2.60148 14.1124      1.17431   14.1124      1.17431   97.6019     270         0.327103    90          
1 1 1 16 0  14 o 215.123 2.4125  85.0264      2.68868   85.0264      2.68868   258.042     180         35.8595     180         
1 1 1 16 0  15 o 59.1728 3.02213 6.53517      0.915633  6.53517      0.915633  33.6297     270         64.5692     90          
1 1 1 16 0  16 o 158.103 2.42001 45.9655      1.9812    45.9655      1.9812    167.824     180         15.8989     8.6514e-06  
1 1 1 16 0  17 o 48.7318 3.23652 4.48182      0.800021  4.48182      0.800021  58.1011     270         13.5825     270         
1 1 1 16 0  18 o 7.79918 3.8136  -0.421357    0.524298  -0.421357    0.524298  4.8918      3.59827e-05 10.398      3.59827e-05 
1 1 1 16 0  19 o 111.388 2.50784 22.8677      1.44467   22.8677      1.44467   150.971     90          55.9725     90          
1 1 1 16 0  20 o 109.596 2.5237  22.1476      1.43027   22.1476      1.43027   130.026     360         18.6587     360         
1 1 1 16 0  21 o 113.083 2.4926  23.5787      1.45788   23.5787      1.45788   151.703     90          55.0031     90          
1 1 1 16 0  22 o 99.9504 2.54518 18.4479      1.31478   18.4479      1.31478   83.8863     0           51.1619     180         
1 1 1 16 0  23 o 22.8401 5.71368 1.27415      0.614891  1.27415      0.614891  9.72811     270         67.0972     270         
1 1 1 16 0  24 o 16.6186 6.13729 0.759029     0.692035  0.759029     0.692035  6.41742     180         42.0744     180         
1 1 1 16 0  25 o 95.2275 3.02728 16.847       1.48743   16.847       1.48743   96.6253     270         13.4131     90          
1 1 1 16 0  26 o 7.89529 3.84415 -0.371445    0.519112  -0.371445    0.519112  20.6093     8.65161e-06 48.9178     8.65161e-06 
1 1 1 16 0  27 o 56.8793 2.9586  6.07861      0.861223  6.07861      0.861223  81.9752     90          41.3586     90          
1 1 1 16 0  28 o 46.084  3.33593 4.06207      0.776141  4.06207      0.776141  73.61       180         49.2529     180         
1 1 1 16 0  29 o 13.5634 5.4187  0.474116     0.583836  0.474116     0.583836  6.35983     270         34.2295     270         
1 1 1 16 0  30 o 8.03435 3.91757 -0.388772    0.543845  -0.388772    0.543845  15.3802     8.6513e-06  39.8635     8.6513e-06  
1 1 1 16 0  31 o 73.2254 2.93026 10.0646      1.10403   10.0646      1.10403   83.2014     270         10.9623     270         
1 1 1 16 0  32 o 71.4055 2.84814 9.57895      1.04647   9.57895      1.04647   81.4804     180         12.0103     180         
1 1 1 16 0  33 o 65.6997 3.43925 8.23628      1.15618   8.23628      1.15618   74.334      90          10.372      90          
1 1 1 16 0  34 o 46.6069 3.40698 4.20513      0.801178  4.20513      0.801178  57.2234     180         16.7721     180         
1 1 1 16 0  35 o 7.32149 3.63098 -0.51821     0.523101  -0.51821     0.523101  8.77355     90          28.2264     90          
1 1 1 16 0  36 o 11.8441 5.05972 0.30254      0.569022  0.30254      0.569022  2.0881      8.6515e-06  27.1865     8.65149e-06 
1 1 1 16 0  37 o 12.1389 5.14342 0.341948     0.57843   0.341948     0.57843   4.91887     90          3.56668     270         
1 1 1 16 0  38 o 8.74024 4.23659 -0.335434    0.614456  -0.335434    0.614456  0.455246    8.65144e-06 7.16296     8.65145e-06 
1 1 1 16 0  39 o 12.0124 5.27099 0.277401     0.65613   0.277401     0.65613   4.66349     90          9.32995     270         
1 1 1 16 0  40 o 33.768  4.66218 2.45067      0.727015  2.45067      0.727015  34.4188     180         0.106651    180         
1 1 1 16 0  41 o 22.6444 6.04695 1.39737      0.66492   1.39737      0.66492   27.8484     90          10.5648     90          
1 1 1 16 0  42 o 34.1039 4.76558 2.54588      0.749019  2.54588      0.749019  40.4266     180         12.1835     180         
1 1 1 16 0  43 o 16.4333 5.92794 0.871426     0.635665  0.871426     0.635665  14.4696     90          8.15418     90          
1 1 1 16 0  44 o 18.2412 6.16642 1.07949      0.669036  1.07949      0.669036  19.0023     0           2.50086     0           
1 1 1 16 0  45 o 25.7423 6.13159 1.80723      0.731019  1.80723      0.731019  31.9767     90          13.0808     90          
1 1 1 16 0  46 o 11.6893 5.40516 0.214987     0.807932  0.214987     0.807932  5.77897     2.35153e-09 3.66954     180         
1 1 1 16 0  47 o 30.3929 7.23595 2.75083      1.01839   2.75083      1.01839   39.5416     270         19.7393     270         
1 1 1 16 0  48 o 8.99694 4.32468 -0.122258    0.612005  -0.122258    0.612005  0.664492    180         2.55415     9.20042e-06 
1 1 1 16 0  49 o 9.73778 4.69496 -0.0972572   0.732821  -0.0972572   0.732821  0.54556     90          0.833622    270         
1 1 1 16 0  50 o 6.96118 3.56216 -1.02821     0.679785  -1.02821     0.679785  0.379984    360         1.53076     360         
1 1 1 16 0  51 o 11.5855 5.32393 0.352083     0.766623  0.352083     0.766623  3.45082     270         6.73669     90          
1 1 1 16 0  52 o 17.0905 6.96055 1.40306      0.9898    1.40306      0.9898    5.96337     0           3.25535     0           
1 1 1 16 0  53 o 13.5634 5.91102 0.781975     0.811604  0.781975     0.811604  0.570672    89.9999     0.176929    89.9999     
1 1 1 16 0  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 1  0  o 110.529 2.43884 22.4876      1.39422   22.4876      1.39422   136.285     4.31118e-06 22.6951     4.31118e-06 
1 1 1 16 1  1  o 58.3516 2.85858 5.76895      0.856415  6.8445       0.857074  32.4008     39.0717     56.0203     219.072     
1 1 1 16 1  2  o 157.42  2.35621 44.5561      1.9177    46.5383      1.92717   198.164     180.334     46.7077     180.334     
1 1 1 16 1  3  o 107.868 2.45578 21.3165      1.37797   21.5051      1.36462   97.6204     0.381351    41.794      180.381     
1 1 1 16 1  4  o 234.09  2.37334 100.065      2.87979   101.362      2.87987   278.251     144.327     31.5348     144.327     
1 1 1 16 1  5  o 31.1665 4.22079 2.36172      0.660792  1.39721      0.647484  3.11375     1.09437     36.0289     181.094     
1 1 1 16 1  6  o 160.18  2.36995 45.2448      1.96321   49.1103      1.97016   218.014     77.6945     81.201      77.6945     
1 1 1 16 1  7  o 211.982 2.3822  81.1615      2.62173   84.0419      2.61276   245.139     185.162     16.3271     185.162     
1 1 1 16 1  8  o 239.142 2.39112 103.483      2.96328   106.774      2.96433   337.105     259.974     140.064     259.974     
1 1 1 16 1  9  o 92.0536 2.55783 14.3971      1.20877   16.8665      1.2227    118.509     215.88      40.5695     215.88      
1 1 1 16 1  10 o 71.6368 2.70866 9.18724      0.999961  9.7543       1.00377   87.9812     86.6852     28.724      86.6852     
1 1 1 16 1  11 o 227.528 2.39566 93.2988      2.81983   97.0693      2.83048   244.114     209.371     19.2721     29.3715     
1 1 1 16 1  12 o 119.005 2.44717 26.4195      1.51349   25.7118      1.50241   151.601     308.253     43.2334     308.253     
1 1 1 16 1  13 o 63.5005 2.85907 8.54398      0.949446  6.4401       0.912963  20.9903     88.8512     94.1085     268.851     
1 1 1 16 1  14 o 153.291 2.41319 40.1759      1.89694   46.3708      1.93311   210.765     285.502     84.599      285.502     
1 1 1 16 1  15 o 85.9093 2.63078 13.2541      1.17645   13.9735      1.15991   80.039      298.201     24.9499     118.201     
1 1 1 16 1  16 o 112.665 2.50477 22.3799      1.46189   24.4118      1.45779   150.488     105.502     57.718      105.502     
1 1 1 16 1  17 o 47.8951 3.32665 5.04137      0.822432  3.57607      0.791988  35.1911     151.071     23.6896     331.071     
1 1 1 16 1  18 o 68.3079 2.77774 8.41441      0.983588  8.84848      0.974437  60.8867     42.6523     20.978      222.652     
1 1 1 16 1  19 o 39.1114 3.78086 2.51072      0.747185  3.29182      0.730002  1.17128     199.507     79.3879     199.507     
1 1 1 16 1  20 o 129.963 2.46246 30.9446      1.65635   31.3595      1.6584    151.348     94.753      21.3813     94.753      
1 1 1 16 1  21 o 70.8923 2.75673 8.80951      0.998323  9.82513      1.0186    87.3468     44.5538     28.5512     44.5538     
1 1 1 16 1  22 o 16.9798 4.61745 0.318768     0.585148  0.416629     0.561237  10.6685     195.238     39.8771     195.238     
1 1 1 16 1  23 o 67.3181 2.91761 8.30123      0.977494  8.55762      1.04853   57.5653     61.6527     27.5176     241.653     
1 1 1 16 1  24 o 17.4058 4.79982 -0.0767367   0.666807  0.657253     0.64378   4.64803     319.129     36.3243     319.129     
1 1 1 16 1  25 o 14.1011 4.35816 -0.0439679   0.606944  -0.157905    0.601864  2.23426     75.9865     14.4896     75.9865     
1 1 1 16 1  26 o 49.3964 3.13292 4.54429      0.796372  4.63505      0.790828  63.332      48.456      27.0278     48.456      
1 1 1 16 1  27 o 50.6087 3.11032 5.06227      0.815262  4.59234      0.799521  44.2264     114.48      16.5335     294.48      
1 1 1 16 1  28 o 12.1281 3.87202 -0.0688193   0.54667   -0.459183    0.49581   8.74365     22.7728     30.9929     22.7728     
1 1 1 16 1  29 o 22.3054 4.21785 -0.0820284   0.583428  1.87224      0.639743  1.78795     298.537     38.3934     118.537     
1 1 1 16 1  30 o 25.841  4.78452 1.54906      0.62705   1.15801      0.681914  19.0625     306.945     9.62555     126.945     
1 1 1 16 1  31 o 19.5725 4.22413 -0.317106    0.579311  1.44254      0.59949   9.79631     350.965     14.5666     170.965     
1 1 1 16 1  32 o 44.9571 3.69985 4.18334      0.867834  3.71506      0.824002  38.5596     240.794     15.362      60.7937     
1 1 1 16 1  33 o 24.5115 5.33076 1.18992      0.732174  1.3326       0.754924  22.6886     53.8913     0.243897    53.8911     
1 1 1 16 1  34 o 32.789  4.37091 2.63871      0.754806  1.78369      0.676492  18.2109     198.632     30.0424     18.632      
1 1 1 16 1  35 o 17.592  4.64973 0.675761     0.570438  0.351014     0.586176  13.3631     222.147     2.64492     42.1467     
1 1 1 16 1  36 o 51.4478 3.24698 5.38173      0.865982  4.9407       0.847055  61.8073     119.354     18.8858     119.354     
1 1 1 16 1  37 o 57.9529 3.31141 5.70083      0.97004   7.54242      0.987117  68.2165     188.857     18.4579     188.857     
1 1 1 16 1  38 o 19.7624 4.54571 -0.0646295   0.641733  1.40786      0.623788  16.018      351.683     3.19185     171.683     
1 1 1 16 1  39 o 18.474  4.97798 0.619345     0.663573  0.657307     0.658713  15.1258     130.151     0.299783    310.151     
1 1 1 16 1  40 o 16.2595 4.75425 0.290644     0.657897  0.392235     0.648522  11.2849     143.717     2.87225     323.717     
1 1 1 16 1  41 o 21.4127 4.74882 1.62695      0.669118  0.350507     0.634581  10.8496     312.588     18.6132     132.588     
1 1 1 16 1  42 f 18.8818 4.92228 1.16712      0.672076  0.227124     0.694696  37.5311     35.7674     0           0           
1 1 1 16 1  43 o 13.8946 4.34433 -0.0766594   0.604092  0.197244     0.632338  9.23513     295.738     0.577089    115.738     
1 1 1 16 1  44 o 20.2994 5.1321  0.854337     0.685499  1.18669      0.692319  16.7645     96.1397     2.88606     276.14      
1 1 1 16 1  45 o 30.0788 4.78273 1.14789      0.717705  3.52373      0.8373    37.5547     71.1204     19.7564     71.1204     
1 1 1 16 1  46 o 19.1684 5.46267 0.537102     0.798246  1.42063      0.902367  4.46764     298.456     25.9136     118.456     
1 1 1 16 1  47 o 14.2118 4.5618  -0.545045    0.726683  0.606595     0.78199   6.29033     89.5706     9.74372     269.571     
1 1 1 16 1  48 o 34.6227 4.72302 2.53464      0.806569  3.64438      0.821912  41.8217     304.297     19.8627     304.297     
1 1 1 16 1  49 o 15.6945 4.70713 0.916912     0.69894   0.156197     0.672948  10.4087     155.723     3.25917     335.723     
1 1 1 16 1  50 o 12.5897 4.1548  -0.357791    0.70888   0.169539     0.650595  4.86013     152.096     3.77063     332.096     
1 1 1 16 1  51 o 11.8528 3.98781 0.509665     0.7367    -1.51564     0.635274  0.74552     173.201     0.493596    353.201     
1 1 1 16 1  52 o 21.2134 6.0511  2.66859      1.09034   1.20855      1.07991   17.6999     300.623     1.41369     300.623     
1 1 1 16 1  53 o 9.42311 3.32061 -1.04791     0.619147  -0.953209    0.672392  1.04714     227.1       3.47089     47.1003     
1 1 1 16 1  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 2  0  o 83.6533 2.56345 12.9179      1.10681   12.9179      1.10681   109.086     360         29.3016     360         
1 1 1 16 2  1  o 104.439 2.47343 22.5515      1.3449    17.7391      1.31781   115.908     112.897     4.2558      112.897     
1 1 1 16 2  2  o 131.434 2.38705 32.7852      1.63483   30.7722      1.61442   182.056     133.83      75.9911     133.83      
1 1 1 16 2  3  o 68.8322 2.73337 8.52187      0.972296  8.96676      0.969818  65.2609     309.117     12.784      129.117     
1 1 1 16 2  4  o 189.133 2.35639 66.3256      2.31415   65.1618      2.30614   220.022     89.2002     17.6666     89.2002     
1 1 1 16 2  5  o 175.504 2.35886 54.2431      2.13555   59.0282      2.15421   177.535     158.322     36.6321     338.322     
1 1 1 16 2  6  o 60.0088 2.91526 7.70373      0.904772  5.69133      0.884202  0.897332    199.777     130.199     199.777     
1 1 1 16 2  7  o 47.5369 3.21452 4.15758      0.781408  4.24466      0.783457  23.4457     277.609     47.3598     97.6094     
1 1 1 16 2  8  o 41.7714 3.4414  2.79462      0.718265  3.76279      0.730726  20.3871     157.562     37.268      337.562     
1 1 1 16 2  9  o 124.199 2.41967 30.0743      1.56768   26.7331      1.54219   135.937     183.511     1.43394     3.51145     
1 1 1 16 2  10 o 103.385 2.49997 18.2078      1.32564   21.204       1.34542   127.626     119.259     31.1911     119.259     
1 1 1 16 2  11 o 167.84  2.38572 53.287       2.08594   50.315       2.06455   183.915     218.009     4.47198     38.0091     
1 1 1 16 2  12 o 33.5632 4.07561 1.96944      0.681838  2.31995      0.682896  6.46577     87.1003     77.2278     87.1003     
1 1 1 16 2  13 o 64.5198 2.8484  8.16896      0.962885  7.2357       0.931786  72.9012     27.9965     12.9785     27.9965     
1 1 1 16 2  14 o 131.833 2.42979 32.6828      1.66768   31.3048      1.65011   149.416     173.785     9.52487     173.785     
1 1 1 16 2  15 o 33.8903 4.03583 2.59071      0.693187  1.80972      0.666105  4.75559     182.309     52.9233     2.30896     
1 1 1 16 2  16 o 27.5523 4.6107  1.62134      0.661364  1.31746      0.637235  4.04907     299.635     52.6025     299.635     
1 1 1 16 2  17 o 41.4316 3.53757 3.57611      0.750687  2.88156      0.731922  28.2277     337.064     12.0037     337.064     
1 1 1 16 2  18 f 76.38   2.7052  10.5772      1.07462   10.9855      1.06002   58.8152     323.627     0           0           
1 1 1 16 2  19 o 61.1609 2.89786 7.5725       0.921515  6.32726      0.901121  43.3732     15.6981     39.7595     195.698     
1 1 1 16 2  20 o 302.31  2.53478 166.774      3.96919   170.279      3.97482   356.759     351.846     50.3243     351.846     
1 1 1 16 2  21 o 78.2172 2.67978 12.2068      1.09195   10.4736      1.07115   88.054      285.096     11.4182     285.096     
1 1 1 16 2  22 o 33.7751 3.94797 2.2839       0.679056  2.0838       0.654993  11.2418     192.474     5.62935     192.474     
1 1 1 16 2  23 f 67.8101 3.02056 9.86537      1.06831   7.35368      1.03123   72.1574     286.189     0           0           
1 1 1 16 2  24 o 29.6737 4.77388 1.71102      0.756474  1.75278      0.679189  26.1594     291.805     0.0778798   291.805     
1 1 1 16 2  25 o 82.256  2.85505 12.5509      1.2213    12.657       1.2058    71.0531     171.172     33.7644     351.172     
1 1 1 16 2  26 o 60.2664 2.99577 7.62465      0.914652  6.02897      0.931982  48.9409     300.897     29.112      120.897     
1 1 1 16 2  27 f 41.1291 3.62497 3.25369      0.758359  3.21273      0.753841  58.9221     235.629     0           0           
1 1 1 16 2  28 o 61.9484 3.07679 7.52489      0.989241  6.93863      0.973471  48.3204     55.947      33.4643     235.947     
1 1 1 16 2  29 o 48.3135 3.28668 4.34308      0.791827  4.54158      0.834174  54.9536     231.873     11.3809     231.873     
1 1 1 16 2  30 o 42.6243 3.44395 2.87337      0.73461   4.17013      0.733537  49.3615     222.541     12.9353     222.541     
1 1 1 16 2  31 o 21.9799 4.54293 1.51034      0.605391  0.335015     0.612804  14.1752     276.583     7.30781     276.583     
1 1 1 16 2  32 o 27.7964 4.94461 1.75305      0.70284   1.4654       0.724729  21.4607     119.1       11.1643     299.1       
1 1 1 16 2  33 o 69.6006 3.51262 10.2977      1.33543   8.53178      1.18381   81.0107     238.22      17.4608     238.22      
1 1 1 16 2  34 o 37.1745 4.14125 2.57187      0.784519  2.99043      0.751767  26.4404     344.603     22.8635     164.603     
1 1 1 16 2  35 o 37.6586 4.0988  2.38361      0.784678  3.36568      0.733369  44.5062     86.7246     13.7355     86.7246     
1 1 1 16 2  36 o 15.9484 4.6391  0.614873     0.680188  -0.184821    0.601724  5.66258     39.3566     16.8853     219.357     
1 1 1 16 2  37 o 30.2653 4.82437 1.33136      0.740942  2.68231      0.768487  11.5106     46.0558     37.3862     226.056     
1 1 1 16 2  38 o 24.0906 4.86487 0.956321     0.622819  1.59303      0.674167  21.113      237.063     2.97739     57.0633     
1 1 1 16 2  39 o 23.5245 4.58358 0.292295     0.619246  2.10638      0.711917  20.7867     338.562     2.22514     158.562     
1 1 1 16 2  40 o 26.5224 5.25927 1.86581      0.724245  1.36649      0.807844  17.7046     180.9       15.5178     0.90013     
1 1 1 16 2  41 o 12.0225 3.9395  -0.322236    0.55882   -0.289772    0.607137  3.35438     171.983     11.2678     351.983     
1 1 1 16 2  42 o 55.5278 3.39131 6.188        0.966198  6.42832      0.966583  58.6514     131.117     6.9201      131.117     
1 1 1 16 2  43 o 19.0941 4.75476 1.29791      0.644473  0.242749     0.635924  16.193      245.948     1.21749     65.9479     
1 1 1 16 2  44 o 17.919  4.75117 1.13999      0.646096  0.194272     0.638275  13.6638     29.7498     4.08425     209.75      
1 1 1 16 2  45 o 10.9183 3.68217 -0.95113     0.586324  -0.159121    0.591847  2.91613     165.082     9.89122     345.082     
1 1 1 16 2  46 o 20.4356 5.17215 1.88191      0.806417  0.243185     0.767659  19.3113     319.544     4.44486     319.544     
1 1 1 16 2  47 o 11.9274 4.00801 -0.0344809   0.695289  -0.776845    0.661926  4.24008     283.209     7.283       103.209     
1 1 1 16 2  48 o 13.7002 4.31147 0.66833      0.672388  -0.552834    0.641199  4.04365     191.132     14.1964     11.1321     
1 1 1 16 2  49 o 22.276  5.20079 2.19462      0.779631  0.850695     0.739939  17.2745     303.189     4.62001     123.189     
1 1 1 16 2  50 o 19.3964 5.29597 1.20519      0.769264  1.23435      0.741764  16.532      298.801     7.10226     298.801     
1 1 1 16 2  51 o 14.6481 4.54925 -0.17876     0.702775  0.854884     0.70075   5.74914     256.184     0.805833    256.184     
1 1 1 16 2  52 o 12.0207 4.17065 -0.344381    0.845573  -0.989974    0.957036  3.3269      46.4669     8.81636     226.467     
1 1 1 16 2  53 o 14.0729 4.5507  0.997684     0.813189  -0.517941    0.733521  8.0847      95.8689     2.39908     275.869     
1 1 1 16 2  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 3  0  o 47.1226 3.25662 4.19537      0.77683   4.19537      0.77683   13.9538     5.53372e-05 7.44492     5.53372e-05 
1 1 1 16 3  1  o 139.673 2.38464 37.2144      1.73064   34.5233      1.72088   194.546     255.492     81.9824     255.492     
1 1 1 16 3  2  o 75.1745 2.64247 11.1118      1.03309   9.74866      1.01741   38.0134     35.833      86.2563     215.833     
1 1 1 16 3  3  o 129.781 2.40383 31.3287      1.61685   30.6343      1.61451   171.635     271.867     58.475      271.867     
1 1 1 16 3  4  o 49.8995 3.15544 3.88241      0.788553  5.42835      0.810816  41.3906     131.535     11.3122     311.535     
1 1 1 16 3  5  f 112.15  2.45175 22.2586      1.4189    24.0471      1.42695   167.254     329.065     0           0           
1 1 1 16 3  6  o 71.0369 2.70178 8.49615      0.98184   10.1607      0.995518  89.1643     51.2373     34.6179     51.2373     
1 1 1 16 3  7  f 17.3904 4.21847 0.999992     0.560708  -0.438586    0.554051  34.2166     344.071     0           0           
1 1 1 16 3  8  o 82.0865 2.62161 11.5255      1.10453   13.346       1.11695   70.0411     96.5741     36.8278     276.574     
1 1 1 16 3  9  o 66.0187 2.77102 8.80509      0.946571  7.32613      0.936058  62.1189     186.497     13.4797     6.49651     
1 1 1 16 3  10 o 51.1355 3.12154 5.06354      0.827937  4.64728      0.810136  55.5761     347.305     21.2931     347.305     
1 1 1 16 3  11 o 42.2306 3.44176 3.59202      0.746273  3.08395      0.730253  24.6393     322.355     31.541      142.355     
1 1 1 16 3  12 o 48.6125 3.19738 3.95212      0.797903  4.85903      0.78594   42.1534     17.4354     10.828      197.435     
1 1 1 16 3  13 o 90.6419 2.56849 15.021       1.20571   15.2631      1.20294   85.545      56.0292     25.1897     236.029     
1 1 1 16 3  14 o 40.3436 3.54932 3.11564      0.738844  2.98921      0.713714  12.8308     170.427     53.4632     350.427     
1 1 1 16 3  15 f 187.261 2.39676 63.6818      2.32609   65.3542      2.32662   223.549     308.543     0           0           
1 1 1 16 3  16 f 41.0842 3.63107 2.52747      0.734075  3.88479      0.749559  52.746      203.521     0           0           
1 1 1 16 3  17 o 15.8906 4.50425 0.102998     0.58942   0.329742     0.548002  8.62996     272.008     24.1563     272.008     
1 1 1 16 3  18 o 101.005 2.54938 19.5208      1.34249   18.135       1.32208   122.912     164.874     30.1105     164.874     
1 1 1 16 3  19 o 19.995  4.79344 0.840138     0.598222  0.540202     0.596285  3.21455     233.219     14.2791     233.219     
1 1 1 16 3  20 o 34.6505 3.96444 1.65702      0.661358  3.01533      0.683032  18.5529     74.1821     22.6381     254.182     
1 1 1 16 3  21 o 26.1003 3.98959 0.0435865    0.608752  2.5981       0.636504  1.69631     229.409     39.5275     49.4087     
1 1 1 16 3  22 o 45.4766 3.35973 3.99025      0.790385  3.77832      0.770225  23.8265     27.3185     45.7377     207.319     
1 1 1 16 3  23 o 138.084 2.62414 33.9725      1.86613   36.6762      1.88563   169.689     188.674     40.9027     188.674     
1 1 1 16 3  24 o 71.3957 2.94622 8.82469      1.07384   10.2066      1.09421   101.159     144.249     52.7439     144.249     
1 1 1 16 3  25 o 83.8829 2.95354 12.8209      1.32267   13.4375      1.23318   93.141      150.111     7.65423     150.111     
1 1 1 16 3  26 o 72.9271 3.27315 10.8991      1.31031   9.13051      1.15324   79.5276     97.2909     5.04802     97.2909     
1 1 1 16 3  27 f 60.7776 3.08872 7.38638      1.00502   6.52345      0.928606  61.441      135.453     0           0           
1 1 1 16 3  28 o 66.3286 3.03412 9.33666      1.04153   7.28972      1.0228    80.8676     69.6019     23.4753     69.6019     
1 1 1 16 3  29 o 53.8134 3.23413 4.83067      0.883119  6.21411      0.892685  58.2424     216.278     5.32923     216.278     
1 1 1 16 3  30 o 56.3105 3.23056 6.38802      0.942397  5.70989      0.925723  34.8833     305.065     47.9444     125.065     
1 1 1 16 3  31 o 40.5942 3.6148  4.09347      0.74627   2.42093      0.704026  52.3801     236.77      24.0274     236.77      
1 1 1 16 3  32 o 44.8122 3.61894 3.80209      0.822613  4.03655      0.82797   38.7332     309.329     14.6364     129.329     
1 1 1 16 3  33 o 39.9932 4.80244 3.14308      0.951606  3.4383       0.967811  28.6478     166.368     24.3823     346.368     
1 1 1 16 3  34 f 32.1485 4.95175 2.08635      0.874372  2.24864      0.728626  21.1515     294.318     0           0           
1 1 1 16 3  35 o 63.9774 3.13348 8.47872      1.0514    7.34474      1.01223   61.2611     123.737     9.37991     303.737     
1 1 1 16 3  36 o 17.828  4.6607  0.8956       0.621291  0.173626     0.570015  6.18553     347.61      3.52866     347.61      
1 1 1 16 3  37 o 15.1955 4.42089 0.439453     0.567339  0.00523625   0.577366  4.99169     53.6516     16.397      233.652     
1 1 1 16 3  38 o 11.9475 3.79667 0.263745     0.558235  -1.12981     0.523284  2.23076     137.644     1.15018     317.644     
1 1 1 16 3  39 o 18.2304 4.75371 0.594423     0.596131  0.699803     0.590544  15.8568     230.832     5.01249     230.832     
1 1 1 16 3  40 o 52.3126 3.37242 5.72286      0.921408  5.26861      0.887348  54.959      194.823     5.28257     194.823     
1 1 1 16 3  41 o 19.4715 4.85185 1.31448      0.689388  0.256689     0.617958  18.0734     36.7276     10.5789     36.7276     
1 1 1 16 3  42 f 21.6709 4.68824 0.222291     0.65643   1.82833      0.685247  32.2862     163.165     0           0           
1 1 1 16 3  43 o 17.0039 4.72989 0.31963      0.620957  0.789965     0.62637   10.6187     321.914     8.64365     141.914     
1 1 1 16 3  44 o 18.9284 4.18346 -0.686049    0.634437  1.73699      0.637094  19.0438     79.1619     12.6844     79.1619     
1 1 1 16 3  45 o 13.9231 4.30194 0.520255     0.628561  -0.304114    0.594616  8.97318     350.172     2.28659     170.172     
1 1 1 16 3  46 o 12.9622 4.27098 -0.131475    0.72625   -0.181637    0.674322  6.1934      315.95      5.42802     135.95      
1 1 1 16 3  47 o 21.9224 5.38351 1.05348      0.762161  1.77911      0.777248  15.6551     134.402     7.71477     314.402     
1 1 1 16 3  48 o 14.986  4.60203 0.554272     0.673666  0.270045     0.66038   10.2841     210.855     0.059589    30.8552     
1 1 1 16 3  49 o 13.8553 4.46119 0.325478     0.716888  0.0687387    0.694506  6.79347     270.552     0.656925    270.552     
1 1 1 16 3  50 o 14.9798 4.61088 0.14429      0.673234  0.77008      0.693487  8.55769     342.323     0.585341    162.323     
1 1 1 16 3  51 o 12.8257 4.18997 -0.387411    0.651436  0.39408      0.678757  3.32736     64.4548     0.874056    244.455     
1 1 1 16 3  52 o 15.6006 4.88836 -0.522865    0.876902  1.37329      0.857032  9.90359     221.991     1.66298     41.9909     
1 1 1 16 3  53 o 11.4041 3.89569 -1.2021      0.669407  0.249909     0.729658  3.67066     317.313     6.86407     137.313     
1 1 1 16 3  54 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 4  0  o 39.9881 3.59731 3.07879      0.712758  3.07879      0.712758  8.27304     180         70.8135     8.65174e-06 
1 1 1 16 4  1  o 20.6669 4.66003 0.395056     0.591695  1.08816      0.586184  13.85       65.9862     46.1881     65.9862     
1 1 1 16 4  2  o 96.4047 2.52757 16.6226      1.2678    17.6088      1.25269   96.3304     34.7885     16.7868     214.789     
1 1 1 16 4  3  o 62.9934 2.81112 7.68949      0.911168  6.98085      0.913461  66.4624     112.462     5.84361     112.462     
1 1 1 16 4  4  o 141.986 2.39541 37.3333      1.76514   36.7827      1.76084   183.845     81.8014     54.7185     81.8014     
1 1 1 16 4  5  f 183.056 2.35868 62.0525      2.23907   61.1331      2.2371    196.334     104.491     0           0           
1 1 1 16 4  6  o 97.1236 2.50945 17.0343      1.25906   17.7054      1.26317   102.888     6.36543     4.95545     186.365     
1 1 1 16 4  7  o 115.779 2.44677 24.7895      1.47319   24.5446      1.46038   165.857     215.693     81.0763     215.693     
1 1 1 16 4  8  o 57.5812 2.89264 5.89212      0.848938  6.38134      0.866115  47.2491     314.324     23.5083     134.324     
1 1 1 16 4  9  o 81.1958 2.64102 13.2617      1.1183    11.0955      1.0941    49.276      197.63      77.5547     17.6296     
1 1 1 16 4  10 o 184.688 2.38183 61.3602      2.28082   64.0822      2.2788    220.684     195.859     31.8433     195.859     
1 1 1 16 4  11 o 191.491 2.38342 69.662       2.37942   65.2247      2.35111   276.936     189.171     130.56      189.171     
1 1 1 16 4  12 o 102.726 2.51167 18.3253      1.32516   20.581       1.34326   145.498     212.781     70.6865     212.781     
1 1 1 16 4  13 o 172.236 2.3985  54.8111      2.14619   54.3211      2.13658   190.904     38.6989     1.68292     38.6992     
1 1 1 16 4  14 o 81.5744 2.66598 11.364       1.11686   13.2294      1.12737   96.4677     203.396     20.4575     203.396     
1 1 1 16 4  15 o 98.364  2.54105 18.1944      1.29514   17.4801      1.29144   111.988     41.3435     12.4578     41.3435     
1 1 1 16 4  16 o 115.977 2.47129 24.233       1.48052   25.3416      1.48703   125.203     72.2028     1.09472     252.203     
1 1 1 16 4  17 o 79.7818 2.6643  12.1581      1.1046    11.3638      1.09226   89.4837     81.8762     11.5096     81.8762     
1 1 1 16 4  18 o 45.9886 3.30586 3.7753       0.780998  4.13334      0.771189  40.8955     350.997     1.46254     170.997     
1 1 1 16 4  19 o 68.8321 2.85927 8.01005      1.03635   9.5856       0.98248   68.315      113.201     6.39185     293.201     
1 1 1 16 4  20 o 36.4576 3.9223  2.49085      0.737712  2.56703      0.696593  17.1589     356.232     34.2987     176.231     
1 1 1 16 4  21 o 96.0296 2.62301 18.9647      1.37274   15.2624      1.23352   113.336     79.1462     21.4206     79.1462     
1 1 1 16 4  22 o 25.9207 4.93711 1.47768      0.694144  1.15401      0.666686  2.84794     334.44      41.4795     154.44      
1 1 1 16 4  23 o 86.4527 2.84118 14.1773      1.27159   13.6135      1.26757   80.1172     201.789     25.2649     21.7885     
1 1 1 16 4  24 o 66.9604 3.00132 8.743        1.03283   8.01402      1.03804   71.1138     260.706     0.761492    260.706     
1 1 1 16 4  25 o 89.3214 3.18292 15.0572      1.41115   14.8189      1.52333   104.006     54.3613     17.9103     54.3613     
1 1 1 16 4  26 o 57.6967 3.71401 7.6582       1.07409   5.11532      1.08052   87.4684     124.687     60.0947     124.687     
1 1 1 16 4  27 o 65.8251 2.85404 9.57367      0.985363  6.78886      0.937664  75.1343     122.995     12.7426     122.995     
1 1 1 16 4  28 o 71.4538 2.77759 10.2666      1.03988   8.90814      1.00775   81.4202     84.2909     13.0567     84.2909     
1 1 1 16 4  29 o 19.8872 4.39562 1.20873      0.57037   0.255031     0.520193  8.38728     338.546     1.19086     338.546     
1 1 1 16 4  30 o 11.3485 3.69492 -0.531202    0.512793  -0.19565     0.500334  0.922757    79.1058     8.3811      79.1058     
1 1 1 16 4  31 o 78.3064 2.78574 13.018       1.14907   10.2576      1.09803   95.6604     350.271     27.7264     350.271     
1 1 1 16 4  32 o 42.5614 3.6593  3.98603      0.803348  3.13642      0.77092   43.1971     125.691     0.386048    305.691     
1 1 1 16 4  33 o 21.4085 4.98522 0.60059      0.683421  1.1925       0.642177  15.8518     145.774     7.89224     325.774     
1 1 1 16 4  34 o 26.431  4.86849 0.0655952    0.852885  2.65221      0.809891  27.7682     228.721     5.27945     228.721     
1 1 1 16 4  35 o 22.5968 4.80366 1.70444      0.710957  0.417027     0.608869  23.8792     73.7496     7.85372     73.7496     
1 1 1 16 4  36 o 26.7471 4.62197 1.43353      0.647454  1.61162      0.624885  25.5381     152.815     0.26475     332.815     
1 1 1 16 4  37 o 23.7599 4.858   1.08793      0.650571  1.36297      0.622204  17.4532     15.3608     10.2656     195.361     
1 1 1 16 4  38 o 15.1746 4.43482 0.218589     0.584563  0.292324     0.551699  8.96537     238.718     1.40053     238.718     
1 1 1 16 4  39 o 14.1284 4.2337  0.328769     0.561566  -0.0591316   0.52577   7.22571     16.556      6.6099      196.556     
1 1 1 16 4  40 o 36.7477 3.98479 2.49089      0.723045  3.18326      0.738612  34.8434     108.865     2.59333     288.865     
1 1 1 16 4  41 o 20.5593 4.84678 0.439771     0.670108  1.37538      0.63886   21.6224     20.1357     12.1617     20.1357     
1 1 1 16 4  42 o 31.7243 4.70573 3.45079      0.793614  1.33869      0.747454  35.6783     178.811     10.889      178.811     
1 1 1 16 4  43 o 12.1613 3.95697 -0.475617    0.589709  0.008731     0.575977  2.02316     225.208     0.377815    225.208     
1 1 1 16 4  44 o 21.7642 4.93239 1.66329      0.67958   0.711868     0.655492  16.9236     110.731     6.1128      290.731     
1 1 1 16 4  45 o 18.8895 4.91182 1.26852      0.670397  0.459016     0.659275  18.1938     67.8316     9.33862     67.8316     
1 1 1 16 4  46 o 17.6242 5.12969 0.563083     0.786542  0.93545      0.743779  12.7368     201.743     3.30976     21.7427     
1 1 1 16 4  47 o 34.9715 4.88276 2.52617      0.834855  3.86463      0.871136  38.8249     317.986     12.5657     317.986     
1 1 1 16 4  48 o 19.1502 5.23912 0.820423     0.775601  1.35678      0.74242   17.1197     264.035     3.65112     264.035     
1 1 1 16 4  49 o 11.8281 3.96855 -0.402892    0.645246  -0.093398    0.666753  4.06953     334.846     5.69869     154.846     
1 1 1 16 4  50 o 15.2144 4.54602 -0.344302    0.685632  1.10183      0.688558  6.7028      45.7998     1.54945     45.7998     
1 1 1 16 4  51 o 13.8318 4.46402 0.327665     0.718859  0.166286     0.703529  6.48616     346.309     4.47274     166.309     
1 1 1 16 4  52 o 12.7701 4.3041  0.320962     0.809514  -0.576319    0.780965  5.41865     306.526     2.25446     126.526     
1 1 1 16 4  53 o 10.6611 3.66403 -0.393083    0.650801  -0.548008    0.63022   0.966355    338.389     0.466934    158.389     
1 1 1 16 5  0  o 49.0089 3.1709  4.52259      0.789221  4.52259      0.789221  38.0031     180         32.3925     8.6523e-06  
1 1 1 16 5  1  o 82.658  2.57381 13.4714      1.10563   11.737       1.09143   69.8039     18.4194     38.5522     198.419     
1 1 1 16 5  2  o 124.242 2.52763 28.9322      1.565     27.8886      1.68251   147.831     250.431     23.0372     250.431     
1 1 1 16 5  3  o 68.3199 2.84749 8.61343      0.962449  8.62738      1.04374   50.1934     173.199     44.43       353.199     
1 1 1 16 5  4  o 144.123 2.50571 41.167       1.80444   35.3586      1.9187    185.698     119.927     53.8633     119.928     
1 1 1 16 5  5  o 101.557 2.61735 20.4074      1.32557   17.6357      1.41201   118.134     235.269     16.0577     235.269     
1 1 1 16 5  6  o 93.4056 2.64259 16.253       1.21395   15.8987      1.33535   84.6071     255.064     33.7646     75.0636     
1 1 1 16 5  7  o 123.458 2.54906 28.6962      1.57175   27.4251      1.68219   139.8       280.483     8.68156     280.483     
1 1 1 16 5  8  o 12.8686 4.08048 -0.210023    0.540695  -0.309516    0.587414  22.4712     324.149     53.5859     324.149     
1 1 1 16 5  9  o 35.9347 3.95066 1.90501      0.695709  3.04496      0.702146  14.2503     164.603     36.4135     344.603     
1 1 1 16 5  10 o 21.276  4.75987 1.00336      0.598717  0.640478     0.590654  2.00525     98.604      13.6514     98.604      
1 1 1 16 5  11 o 64.8895 2.80747 8.40589      0.94857   7.18354      0.927958  74.6511     63.3704     16.3704     63.3704     
1 1 1 16 5  12 o 75.0501 2.74436 10.474       1.09362   10.3258      1.03392   94.5085     286.386     33.0254     286.386     
1 1 1 16 5  13 o 99.5522 2.61515 18.5356      1.39218   18.0088      1.30171   94.989      24.837      25.7031     204.837     
1 1 1 16 5  14 o 48.5719 3.27616 4.54495      0.849261  4.24707      0.780662  38.1146     47.0248     24.5628     47.0248     
1 1 1 16 5  15 o 24.9095 4.7139  1.72643      0.684082  0.66984      0.612949  0.672219    295.308     18.7169     115.308     
1 1 1 16 5  16 o 19.4652 4.77693 0.9426       0.628035  0.260075     0.598115  23.448      236.215     73.0329     236.215     
1 1 1 16 5  17 o 94.0555 2.6456  16.5292      1.24282   16.1445      1.32903   90.4835     286.945     20.188      106.945     
1 1 1 16 5  18 o 65.9571 2.94028 8.0309       0.968509  8.10638      1.03102   32.9534     265.214     73.1842     85.2136     
1 1 1 16 5  19 o 186.04  2.49809 62.9524      2.32555   64.7333      2.49159   220.433     0.422837    35.6228     0.422837    
1 1 1 16 5  20 o 18.0206 4.44623 0.086408     0.54744   0.869423     0.549053  1.77153     189.979     10.7918     189.979     
1 1 1 16 5  21 o 35.8144 4.06095 3.04231      0.74746   1.93092      0.694822  20.6639     296.376     28.4001     116.376     
1 1 1 16 5  22 f 70.6075 2.93055 9.59025      1.07937   8.97757      1.0561    69.3349     229.928     0           0           
1 1 1 16 5  23 o 41.0829 4.04966 2.54957      0.822678  3.99022      0.815595  37.0035     282.84      9.05779     102.84      
1 1 1 16 5  24 o 108.1   2.68902 22.2185      1.51383   21.2303      1.49482   98.6388     137.092     34.6738     317.092     
1 1 1 16 5  25 o 21.2659 4.69551 0.290938     0.620483  1.32571      0.627137  9.71703     10.2262     3.32889     190.226     
1 1 1 16 5  26 f 72.4307 2.9566  9.87656      1.10924   9.7914       1.10145   84.0743     182.385     0           0           
1 1 1 16 5  27 o 39.4045 3.65255 4.03033      0.726488  2.09228      0.676923  45.333      348.197     13.7275     348.197     
1 1 1 16 5  28 o 31.9735 4.06371 1.79221      0.646345  2.24329      0.647907  18.6836     48.8396     26.1884     228.84      
1 1 1 16 5  29 o 13.3009 3.77895 0.613361     0.520021  -1.1422      0.479893  2.41812     322.783     22.7456     322.783     
1 1 1 16 5  30 o 51.297  3.13155 5.59095      0.8384    4.48886      0.805516  41.9901     11.3528     22.4178     191.353     
1 1 1 16 5  31 o 44.4262 3.56882 4.42822      0.811229  3.29515      0.789191  43.2357     176.241     4.48387     356.241     
1 1 1 16 5  32 o 67.6782 3.0447  9.25212      1.07052   8.28716      1.0529    73.0945     244.322     5.65761     244.322     
1 1 1 16 5  33 o 30.7472 4.667   0.687456     0.809728  3.35815      0.766761  14.8154     175.634     32.4005     355.634     
1 1 1 16 5  34 o 53.936  3.65044 5.9027       1.04021   5.53524      0.976338  58.031      209.936     5.53518     209.936     
1 1 1 16 5  35 o 71.9332 3.14124 11.2973      1.17119   8.81892      1.14749   77.2161     119.062     6.56825     119.062     
1 1 1 16 5  36 o 19.4528 3.87152 1.80071      0.642032  -0.776974    0.514633  16.6053     22.1131     1.41802     202.113     
1 1 1 16 5  37 o 23.5044 4.85288 1.43898      0.644333  0.970237     0.627183  20.8238     198.061     2.08709     18.0613     
1 1 1 16 5  38 o 28.9027 4.57029 1.3922       0.679265  2.25152      0.668906  35.7367     59.9898     17.9965     59.9898     
1 1 1 16 5  39 o 11.3177 3.72605 -0.495139    0.537774  -0.239289    0.530566  3.12281     157.935     5.62806     337.935     
1 1 1 16 5  40 o 20.5394 4.83494 1.23824      0.63697   0.61957      0.601738  18.6256     60.4928     1.07208     60.4929     
1 1 1 16 5  41 o 20.0537 4.9111  0.555685     0.646505  1.21801      0.646124  6.80344     295.123     24.0001     115.123     
1 1 1 16 5  42 o 12.8063 4.02912 -0.74406     0.607041  0.328539     0.560974  7.32351     69.5367     2.45973     249.537     
1 1 1 16 5  43 o 16.3344 4.73342 0.809947     0.668563  0.0420597    0.666468  12.6755     332.505     1.62528     152.505     
1 1 1 16 5  44 o 12.1568 3.90716 -0.96523     0.590034  0.318753     0.577918  3.44111     175.142     12.7079     355.142     
1 1 1 16 5  45 o 18.2098 4.65041 1.40231      0.659026  0.0556472    0.617544  16.9437     63.6858     7.59408     63.6858     
1 1 1 16 5  46 o 22.2981 5.59007 1.64986      0.827168  1.33669      0.795843  19.8276     303.729     1.01048     303.729     
1 1 1 16 5  47 o 10.2558 3.53544 -0.965048    0.648062  -0.496437    0.584055  2.19957     295.91      3.47599     115.91      
1 1 1 16 5  48 o 19.161  5.00826 0.347933     0.731828  1.67877      0.73541   13.7037     145.102     5.35939     325.102     
1 1 1 16 5  49 o 21.553  4.97325 0.534205     0.719109  2.22219      0.754389  20.7942     299.651     12.9836     299.651     
1 1 1 16 5  50 o 12.9639 4.17241 0.588557     0.664025  -0.58458     0.627518  4.64387     224.321     6.24626     44.3207     
1 1 1 16 5  51 o 15.5208 4.7983  0.544583     0.74243   0.689516     0.725422  7.46775     346.931     8.87523     166.931     
1 1 1 16 5  52 o 17.7483 5.35234 0.630063     0.893345  1.65917      0.905321  13.7341     261.741     5.33144     261.741     
1 1 1 16 5  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 6  0  f 108.415 2.92339 21.6842      1.63744   21.6842      1.63744   134.746     5.05733e-06 0           0           
1 1 1 16 6  1  o 198.36  2.68409 72.9432      2.87267   71.8427      2.6438    214.075     300.05      12.9451     120.05      
1 1 1 16 6  2  o 201.323 2.56003 78.4073      2.67689   70.7812      2.66176   243.208     158.413     39.1138     158.413     
1 1 1 16 6  3  o 123.938 2.61226 28.9823      1.66846   27.5887      1.68306   109.205     327.666     54.6136     147.666     
1 1 1 16 6  4  o 39.0996 3.92711 3.2069       0.75628   2.5718       0.779213  26.9753     116.873     10.1629     296.873     
1 1 1 16 6  5  o 122.523 2.71342 25.9506      1.7465    29.408       1.68634   159.754     127.108     52.0717     127.108     
1 1 1 16 6  6  o 123.376 2.69658 29.6299      1.7731    26.4903      1.67197   141.728     274.198     13.0842     274.198     
1 1 1 16 6  7  o 51.6332 3.45013 6.01618      0.924448  4.01097      0.877326  27.9864     16.2676     50.3906     196.268     
1 1 1 16 6  8  o 207.878 2.67377 82.0836      2.98995   77.0225      2.77294   249.072     241.693     37.4454     241.693     
1 1 1 16 6  9  o 93.2258 2.99824 17.5675      1.43641   14.5965      1.44338   117.802     46.7431     35.994      46.7431     
1 1 1 16 6  10 o 70.0729 3.11387 9.20798      1.06529   8.97058      1.1804    95.2278     44.668      49.791      44.668      
1 1 1 16 6  11 o 41.5785 3.9403  2.66099      0.782233  3.91144      0.860821  25.7468     208.675     26.9464     28.6751     
1 1 1 16 6  12 o 72.0147 2.97628 9.51277      1.01505   9.67506      1.19128   78.8837     174.779     7.52138     174.779     
1 1 1 16 6  13 o 170.23  2.49052 55.4701      2.13797   51.2524      2.24885   199.876     356.307     26.4229     356.307     
1 1 1 16 6  14 o 37.9444 3.71337 3.24153      0.710234  2.23484      0.692854  4.30088     283.94      64.7439     103.94      
1 1 1 16 6  15 o 109.415 2.48959 22.0863      1.42176   22.0587      1.39847   124.317     151.48      13.2087     151.48      
1 1 1 16 6  16 o 40.1687 3.51458 3.39262      0.719695  2.69351      0.705303  25.9812     115.406     19.3493     295.406     
1 1 1 16 6  17 o 23.1575 4.58352 1.39815      0.603957  0.648927     0.579159  1.15856     293.504     22.0765     293.504     
1 1 1 16 6  18 o 59.1913 2.89759 6.38901      0.887969  6.62542      0.878701  49.2332     119.461     23.6565     299.461     
1 1 1 16 6  19 f 13.2663 4.08254 0.010823     0.533252  -0.189451    0.520735  20.6503     192.941     0           0           
1 1 1 16 6  20 o 61.335  2.95407 6.82977      0.968786  7.17587      0.89425   60.9959     313.814     5.93315     133.814     
1 1 1 16 6  21 o 88.5263 2.85761 14.8361      1.34482   14.2847      1.27086   63.7922     253.487     62.6608     73.4874     
1 1 1 16 6  22 o 47.8643 3.55224 4.6557       0.878976  4.01046      0.854833  24.8672     115.946     50.5385     295.946     
1 1 1 16 6  23 o 98.8733 2.70844 17.7861      1.37968   18.5651      1.39104   99.1958     269.023     13.2844     89.023      
1 1 1 16 6  24 f 70.6332 2.77737 10.6074      1.02577   8.09459      0.989884  91.0034     169.125     0           0           
1 1 1 16 6  25 o 22.4379 4.74672 0.79658      0.645832  1.14257      0.56422   12.9398     253.34      3.28622     73.3395     
1 1 1 16 6  26 o 105.75  2.75861 19.4002      1.50581   22.4557      1.50703   119.434     34.0219     14.4022     34.0219     
1 1 1 16 6  27 o 26.2761 4.3214  0.86026      0.593599  1.92806      0.59649   24.0852     41.1252     5.76691     41.1251     
1 1 1 16 6  28 o 12.5125 3.88405 0.115375     0.51341   -0.365754    0.475227  17.7344     250.855     56.6779     250.855     
1 1 1 16 6  29 o 31.1579 4.18298 1.07121      0.639673  2.96869      0.65206   28.5483     149.838     3.78142     329.838     
1 1 1 16 6  30 o 59.7088 2.89153 7.30144      0.899203  6.26272      0.877145  68.3266     238.404     12.9526     238.404     
1 1 1 16 6  31 o 17.7857 4.68895 0.575381     0.590078  0.488572     0.569082  4.66409     343.155     43.1806     343.155     
1 1 1 16 6  32 o 37.3158 4.27636 2.1688       0.78251   3.51897      0.78346   27.2356     269.517     21.4123     89.517      
1 1 1 16 6  33 o 46.7606 3.8748  3.79218      0.916917  4.90648      0.907434  56.028      103.892     17.0129     103.892     
1 1 1 16 6  34 o 17.5392 4.71966 0.802815     0.640389  0.154492     0.586312  4.9826      307.446     22.5173     127.446     
1 1 1 16 6  35 o 19.239  4.54782 0.178824     0.587734  1.17188      0.585536  6.37545     176.806     23.5855     356.806     
1 1 1 16 6  36 o 47.6807 3.61858 4.8628       0.890195  4.23856      0.868014  41.7161     191.529     13.0409     11.5287     
1 1 1 16 6  37 o 17.5096 4.56189 0.0645827    0.622592  0.895754     0.563729  14.3888     325.618     4.40957     325.618     
1 1 1 16 6  38 o 17.6623 4.70128 0.62469      0.59572   0.544043     0.57521   13.8433     177.317     5.66081     177.317     
1 1 1 16 6  39 o 29.8902 4.56367 1.97714      0.689903  1.93177      0.68284   34.0599     184.417     11.5581     184.417     
1 1 1 16 6  40 o 21.9754 4.97436 0.835989     0.659125  1.37345      0.652224  9.94257     116.983     21.6394     296.983     
1 1 1 16 6  41 o 16.1366 4.60881 0.413575     0.616462  0.459792     0.576166  9.06355     144.962     4.83415     144.962     
1 1 1 16 6  42 o 18.5432 4.72825 1.25412      0.648934  0.149934     0.630895  18.4647     77.5385     8.77356     77.5385     
1 1 1 16 6  43 o 16.1349 4.64202 0.857673     0.652753  -0.0230967   0.636887  13.7976     289.827     2.65932     289.827     
1 1 1 16 6  44 o 15.3855 4.63675 0.261142     0.651489  0.48086      0.654076  11.7317     266.83      2.54415     266.83      
1 1 1 16 6  45 o 13.5677 4.29358 0.211603     0.633062  0.00651354   0.609871  5.68501     265.545     1.00424     265.545     
1 1 1 16 6  46 o 21.449  5.69062 1.48828      0.909842  1.38667      0.805399  20.6654     194.148     6.13773     194.148     
1 1 1 16 6  47 o 26.0454 5.36993 1.4651       0.804762  2.57495      0.810318  26.288      283.505     6.29265     283.505     
1 1 1 16 6  48 f 18.4078 5.02857 0.771635     0.692469  1.21716      0.691166  16.0992     163.828     0           0           
1 1 1 16 6  49 f 18.3825 5.08317 1.14607      0.719526  0.930044     0.686741  16.5058     288.049     0           0           
1 1 1 16 6  50 o 13.157  4.31468 0.413422     0.680265  -0.608481    0.810739  4.81646     111.31      7.30795     291.31      
1 1 1 16 6  51 o 12.9761 4.35994 -0.67701     0.840168  0.34911      0.796281  5.57008     275.445     3.22389     95.445      
1 1 1 16 6  52 o 13.3024 4.44214 0.34436      0.833896  -0.15543     0.769283  6.0158      62.3923     0.185079    62.3925     
1 1 1 16 6  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 7  0  o 7.95924 3.95626 -0.702245    0.631747  -0.702245    0.631747  35.5786     180         75.7548     180         
1 1 1 16 7  1  o 53.0672 3.98678 5.76412      1.10851   4.78861      1.04827   15.7687     289.355     79.5325     109.355     
1 1 1 16 7  2  o 80.8141 3.59668 11.9085      1.45247   12.3027      1.54533   61.4741     211.57      51.3685     31.5696     
1 1 1 16 7  3  o 168.358 2.79566 53.1179      2.4649    51.254       2.41469   195.282     282.385     18.6211     282.385     
1 1 1 16 7  4  o 69.6897 3.05204 9.75034      1.07675   8.24714      1.10821   79.9859     132.994     14.9082     132.994     
1 1 1 16 7  5  o 135.172 2.72407 35.3165      1.82659   32.045       1.97327   115.435     140.382     66.8764     320.382     
1 1 1 16 7  6  o 101.467 2.6692  19.7782      1.41632   18.1901      1.38583   84.7339     273.619     51.7437     93.6189     
1 1 1 16 7  7  o 17.5987 4.71302 0.647115     0.600009  0.0815667    0.621838  22.4832     351.238     65.8405     351.238     
1 1 1 16 7  8  o 155.849 2.59808 44.0555      2.09227   45.3619      2.10533   242.935     95.7871     146.163     95.7871     
1 1 1 16 7  9  o 70.6629 3.01358 8.76137      1.08139   9.72871      1.1152    56.4002     8.42017     36.9067     188.42      
1 1 1 16 7  10 o 99.7622 2.7322  18.6456      1.40363   18.0748      1.41632   117.432     153.495     20.4824     153.495     
1 1 1 16 7  11 o 105.659 2.68041 21.1659      1.46287   20.0196      1.46744   158.742     14.7686     93.885      14.7686     
1 1 1 16 7  12 o 42.8563 3.68476 2.91524      0.77479   4.02582      0.815988  35.0449     78.1136     5.75673     258.114     
1 1 1 16 7  13 o 136.409 2.62257 33.6342      1.84662   34.991       1.85839   186.537     329.26      78.0868     329.26      
1 1 1 16 7  14 o 69.209  2.97522 8.78897      1.05618   8.96201      1.06847   83.4908     229.005     26.9149     229.005     
1 1 1 16 7  15 o 86.1219 2.71269 12.5857      1.15378   14.8806      1.26242   104.944     173.885     29.3368     173.885     
1 1 1 16 7  16 o 77.1765 2.67364 12.0833      1.08583   9.99976      1.04309   76.8647     73.7774     8.63538     253.777     
1 1 1 16 7  17 o 97.1507 2.53541 15.8042      1.26314   19.1504      1.27844   114.332     121.018     21.5348     121.018     
1 1 1 16 7  18 o 62.3696 2.83963 7.32094      0.921515  7.12884      0.904847  61.9309     71.9468     5.57949     251.947     
1 1 1 16 7  19 o 73.5993 2.80163 10.0581      1.09838   10.0523      1.03027   84.8817     30.9825     14.7499     30.9825     
1 1 1 16 7  20 f 71.6596 3.07968 9.27575      1.14174   9.87409      1.13419   76.8146     356.444     0           0           
1 1 1 16 7  21 o 14.3936 4.25003 0.411757     0.592389  -0.451652    0.530399  0.194986    349.986     1.99487     349.986     
1 1 1 16 7  22 o 49.7505 3.21476 4.73457      0.822562  4.57467      0.817097  40.4992     54.7414     22.4441     234.741     
1 1 1 16 7  23 o 34.1591 3.81657 2.38488      0.663659  2.11436      0.642434  18.8617     304.269     30.5846     124.269     
1 1 1 16 7  24 o 67.0503 2.76635 8.79969      0.965914  8.01294      0.947796  88.6497     148.298     37.9422     148.298     
1 1 1 16 7  25 o 100.825 2.6951  16.794       1.4287    21.2912      1.3578    109.555     84.1276     5.24433     84.1276     
1 1 1 16 7  26 f 38.0509 3.93242 2.29034      0.743181  3.3829       0.735456  22.125      34.6276     0           0           
1 1 1 16 7  27 o 13.0283 3.87245 0.376141     0.496067  -0.590234    0.482797  0.424952    275.792     10.4219     275.792     
1 1 1 16 7  28 o 68.2736 2.82513 7.99692      0.989117  9.6365       0.995171  74.2473     265.651     6.00562     265.651     
1 1 1 16 7  29 o 13.3279 4.07166 0.100225     0.530723  -0.117222    0.502126  4.6207      78.363      31.0388     78.363      
1 1 1 16 7  30 o 41.9973 3.74927 2.96955      0.765507  3.99247      0.822201  45.1093     296.478     5.01918     296.478     
1 1 1 16 7  31 o 24.89   4.85588 0.757416     0.69      1.80659      0.677272  22.0644     15.3045     2.98277     195.305     
1 1 1 16 7  32 o 75.6365 2.88653 11.7043      1.16961   10.1476      1.08554   69.9947     260.926     16.8721     80.926      
1 1 1 16 7  33 o 62.4196 3.23163 7.17366      1.0515    7.92071      1.02077   72.9054     74.0406     17.6974     74.0406     
1 1 1 16 7  34 o 43.9376 3.86089 4.19428      0.884578  3.559        0.834653  50.0052     310.199     11.5182     310.199     
1 1 1 16 7  35 o 22.6079 4.76086 0.743806     0.628318  1.42524      0.614548  20.8077     120.888     0.150397    120.888     
1 1 1 16 7  36 o 34.3674 4.05989 2.38171      0.69816   2.49709      0.697051  32.588      357.452     2.67282     177.452     
1 1 1 16 7  37 f 24.765  4.7599  0.558985     0.673855  2.14298      0.717022  22.9094     67.0198     0           0           
1 1 1 16 7  38 o 13.9961 4.28981 0.269942     0.611744  -0.142082    0.547067  7.1298      184.028     6.45323     4.02841     
1 1 1 16 7  39 o 23.8837 4.90018 1.31307      0.649416  1.29299      0.634762  21.455      154.008     1.33123     334.008     
1 1 1 16 7  40 f 17.0664 4.66529 0.199958     0.599566  0.838177     0.61694   22.6536     94.8838     0           0           
1 1 1 16 7  41 o 13.4613 4.20407 0.0468147    0.582316  0.0494319    0.56856   4.59692     261.054     13.3727     81.0536     
1 1 1 16 7  42 o 21.5136 4.86743 0.665951     0.658365  1.5608       0.648847  21.8517     123.459     5.6787      123.459     
1 1 1 16 7  43 o 18.8532 4.34524 1.63929      0.642255  -0.254684    0.585152  18.7939     188.536     6.15066     188.536     
1 1 1 16 7  44 o 14.5532 4.39775 0.676443     0.628262  -0.290098    0.625378  7.56515     270.287     2.72091     270.287     
1 1 1 16 7  45 o 14.6603 4.57667 0.48954      0.711282  0.0368032    0.659029  7.42023     213.568     8.08696     33.5679     
1 1 1 16 7  46 o 14.5004 4.63776 -0.682606    0.76647   0.776679     0.807876  9.11569     322.824     0.235248    142.824     
1 1 1 16 7  47 o 12.7217 4.18311 -0.329864    0.635816  0.188886     0.699543  6.17234     135.798     0.916638    315.798     
1 1 1 16 7  48 o 14.2893 4.27644 -1.1011      0.686668  1.04485      0.651149  6.38046     180.249     9.06673     0.248505    
1 1 1 16 7  49 o 12.78   4.19418 0.279249     0.69947   -0.25046     0.632697  3.92238     351.753     2.04353     171.753     
1 1 1 16 7  50 o 13.6159 4.37495 0.299359     0.680394  0.171579     0.666605  6.18058     207.831     4.81611     27.8313     
1 1 1 16 7  51 o 13.7032 4.53164 -0.534099    0.839534  0.679883     0.819729  6.62142     142.233     5.26022     322.233     
1 1 1 16 7  52 o 15.3414 4.81166 0.444663     0.806603  0.807489     0.739231  10.6332     282.857     0.895832    282.857     
1 1 1 16 8  0  o 24.7408 6.56533 1.5249       0.786159  1.5249       0.786159  1.13001     180         8.66562     2.23146e-05 
1 1 1 16 8  1  o 22.5574 4.85375 1.67622      0.77608   0.14152      0.599744  5.44054     312.219     35.1172     312.219     
1 1 1 16 8  2  o 85.0817 3.11839 13.9678      1.51023   12.8097      1.2262    97.612      35.6754     14.0578     35.6754     
1 1 1 16 8  3  o 27.717  4.86765 1.63289      0.746562  1.34321      0.647113  0.278397    109.638     41.49       289.638     
1 1 1 16 8  4  o 82.9663 2.93604 12.7076      1.32441   12.7244      1.18897   108.513     346.986     43.0069     346.986     
1 1 1 16 8  5  f 68.9532 2.87611 8.43834      1.02412   9.14993      1.02126   87.3841     128.939     0           0           
1 1 1 16 8  6  o 57.896  3.00537 6.63324      0.879292  5.80555      0.906476  27.1726     355.847     66.8981     175.847     
1 1 1 16 8  7  o 90.9379 2.62255 15.2874      1.20907   15.2148      1.25758   90.4065     150.357     14.4157     330.357     
1 1 1 16 8  8  f 35.0693 3.87748 2.84284      0.679733  1.86696      0.665397  38.2342     162.613     0           0           
1 1 1 16 8  9  o 35.8545 3.81652 1.92952      0.677971  2.99036      0.669263  19.8381     128.624     0.51629     128.624     
1 1 1 16 8  10 f 90.4301 2.55185 14.637       1.1888    15.5351      1.19822   61.5565     69.9037     0           0           
1 1 1 16 8  11 o 37.5619 3.78041 2.65711      0.757421  2.67291      0.669543  25.397      32.9936     5.04287     212.994     
1 1 1 16 8  12 o 14.7076 4.23198 0.45353      0.569762  -0.296835    0.498284  8.30474     300.789     21.6657     300.789     
1 1 1 16 8  13 o 98.6219 2.72851 18.0509      1.39539   17.8876      1.38894   106.732     205.365     3.09889     205.365     
1 1 1 16 8  14 f 113.542 2.6847  24.805       1.5795    22.8407      1.57438   97.6214     92.8576     0           0           
1 1 1 16 8  15 o 78.2882 2.87499 12.0595      1.16111   10.6741      1.16089   44.5155     236.62      77.9613     56.6204     
1 1 1 16 8  16 o 45.5837 3.65587 4.81012      0.838175  3.10497      0.823798  33.2634     92.7462     24.0614     272.746     
1 1 1 16 8  17 o 137.909 2.55658 37.0979      1.76469   33.2409      1.87616   147.284     191.301     3.60674     11.3012     
1 1 1 16 8  18 o 63.7469 3.11507 6.31946      1.02559   8.94834      0.987022  46.6737     293.204     41.3932     113.204     
1 1 1 16 8  19 o 57.7022 3.22941 6.23472      0.956333  6.2307       0.959783  61.2769     97.4338     2.01691     97.4338     
1 1 1 16 8  20 o 34.0996 4.22462 2.21879      0.724216  2.28364      0.714649  35.7438     72.1873     8.65795     72.1873     
1 1 1 16 8  21 o 31.6921 4.13969 2.31068      0.643182  1.61667      0.658883  28.1012     227.488     3.05374     47.4883     
1 1 1 16 8  22 o 72.0393 2.70943 9.36121      1.01652   9.99214      0.998119  72.7453     190.194     6.60011     10.1945     
1 1 1 16 8  23 f 38.3544 3.71407 3.75098      0.700069  2.02113      0.683763  14.9029     31.5026     0           0           
1 1 1 16 8  24 o 14.8931 4.12116 -0.278055    0.511505  0.564851     0.501625  0.275625    155.851     5.54906     335.851     
1 1 1 16 8  25 o 82.0935 2.78929 11.4651      1.21021   13.8519      1.13981   80.7299     234.357     11.546      54.3569     
1 1 1 16 8  26 o 42.7301 3.63966 4.10169      0.7993    2.98323      0.766497  30.7502     14.899      26.0408     194.899     
1 1 1 16 8  27 o 15.8364 4.33181 0.596528     0.535026  -0.0147887   0.524132  0.156294    102.814     25.5264     282.814     
1 1 1 16 8  28 o 20.8852 4.65995 0.794218     0.568076  0.935568     0.562362  15.4572     350.271     4.53415     170.271     
1 1 1 16 8  29 o 13.5285 4.10001 0.223665     0.534949  -0.221961    0.512889  3.56367     11.046      7.91093     191.046     
1 1 1 16 8  30 o 51.3831 3.55628 6.1614       0.946903  4.21145      0.90053   43.0541     237.375     19.8385     57.3753     
1 1 1 16 8  31 o 16.2706 4.54379 0.193351     0.589164  0.49024      0.557336  4.90992     48.7547     19.538      228.755     
1 1 1 16 8  32 o 26.6319 4.53252 1.34657      0.624481  1.61089      0.614431  16.1685     120.991     20.1989     300.991     
1 1 1 16 8  33 o 36.8488 4.17878 2.72448      0.784168  2.81258      0.757285  27.4044     54.5658     19.4187     234.566     
1 1 1 16 8  34 o 28.0615 4.74238 1.27468      0.705058  2.12066      0.679835  36.0746     173.813     21.8909     173.813     
1 1 1 16 8  35 o 14.4299 4.23444 0.466542     0.558962  -0.186469    0.524109  7.25584     73.274      7.88577     253.274     
1 1 1 16 8  36 f 24.1279 4.27795 2.15695      0.642578  0.363261     0.577925  17.0524     252.825     0           0           
1 1 1 16 8  37 o 23.6926 4.55576 1.97267      0.643378  0.415492     0.671117  23.083      351.064     2.8154      351.064     
1 1 1 16 8  38 o 42.5608 3.99794 3.57106      0.850177  4.00334      0.868414  49.2457     124.548     14.7902     124.548     
1 1 1 16 8  39 o 17.4611 4.50719 -0.154443    0.646689  1.06155      0.582572  15.6484     113.21      5.53053     113.21      
1 1 1 16 8  40 o 15.0741 4.45331 0.232022     0.597471  0.357066     0.567811  10.6137     336.032     3.36945     336.032     
1 1 1 16 8  41 o 27.0914 4.84578 1.82066      0.683595  1.68425      0.678809  23.3315     2.59827     4.59297     182.598     
1 1 1 16 8  42 o 17.1509 4.78319 0.761132     0.644272  0.495919     0.613671  12.7214     119.304     4.10997     299.304     
1 1 1 16 8  43 o 25.656  5.16868 1.90554      0.711792  1.53964      0.742842  24.1045     59.1806     1.16173     59.1805     
1 1 1 16 8  44 f 18.1948 4.9889  0.74465      0.724852  0.919615     0.634724  4.93547     76.6956     0           0           
1 1 1 16 8  45 o 15.8799 4.89538 0.542065     0.780362  0.421314     0.734438  9.67072     110.902     5.83456     290.902     
1 1 1 16 8  46 o 17.0831 5.12407 0.49326      0.772745  0.996302     0.815162  13.6442     173.138     2.07991     173.138     
1 1 1 16 8  47 o 19.2942 4.47746 1.94221      0.680548  -0.182442    0.649593  18.5319     28.0276     8.64403     28.0276     
1 1 1 16 8  48 o 20.803  5.16997 1.64355      0.716526  1.04949      0.694385  19.5119     165.223     8.10027     165.223     
1 1 1 16 8  49 o 15.0747 4.58163 0.350813     0.654934  0.667842     0.646094  8.46156     279.931     0.750979    99.9306     
1 1 1 16 8  50 o 10.9406 3.72292 -0.723231    0.643352  -0.12286     0.616476  2.29382     117.405     3.24047     297.405     
1 1 1 16 8  51 o 17.8673 5.31564 1.95198      0.946142  0.34615      0.803288  14.2155     163.434     5.79376     163.434     
1 1 1 16 8  52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 9  0  o 117.825 2.45488 25.5607      1.49638   25.5607      1.49638   144.109     180         27.2954     180         
1 1 1 16 9  1  o 77.1057 2.70917 10.651       1.0419    11.3081      1.11715   94.1176     168.715     27.7849     168.715     
1 1 1 16 9  2  o 119.161 2.65669 24.7798      1.64231   27.6075      1.63126   128.575     91.2928     1.53405     271.293     
1 1 1 16 9  3  o 165.823 2.58354 48.0061      2.21935   53.3172      2.21734   177.413     60.8942     8.60261     240.894     
1 1 1 16 9  4  o 41.4144 3.69336 3.18072      0.780219  3.26348      0.76999   21.8868     202.8       34.9073     22.8        
1 1 1 16 9  5  o 74.7954 2.76875 10.5377      1.12596   10.1367      1.0123    86.0809     225.851     16.688      225.851     
1 1 1 16 9  6  o 60.9836 2.80064 6.60342      0.878566  7.16823      0.881409  52.3638     132.733     20.4958     312.733     
1 1 1 16 9  7  o 107.443 2.48646 21.6574      1.39915   20.8997      1.36681   114.852     272.063     1.67885     92.0631     
1 1 1 16 9  8  o 118.144 2.5299  25.9869      1.60841   25.4774      1.48529   139.442     78.9202     24.2198     78.9202     
1 1 1 16 9  9  o 48.1614 3.26122 3.53503      0.807149  5.19727      0.764032  35.0131     247.466     23.6995     67.4664     
1 1 1 16 9  10 o 128.106 2.49657 30.9611      1.70935   29.5656      1.60325   141.785     52.8711     6.76838     52.8711     
1 1 1 16 9  11 o 41.0812 3.65914 2.74418      0.762441  3.64271      0.742922  29.5929     357.99      13.7058     177.99      
1 1 1 16 9  12 o 95.1077 2.62589 15.9073      1.26033   17.5343      1.32383   112.628     354.518     23.496      354.518     
1 1 1 16 9  13 o 33.0059 3.97665 2.17934      0.646879  1.98702      0.663592  17.3187     83.6091     19.781      263.609     
1 1 1 16 9  14 o 50.3274 3.14052 5.17764      0.80229   4.29646      0.81215   53.5855     99.8382     9.07307     99.8382     
1 1 1 16 9  15 o 80.152  2.76861 12.1269      1.17793   11.6909      1.11568   83.6264     162.661     2.50868     342.661     
1 1 1 16 9  16 o 110.409 2.88036 23.2988      1.64256   21.9281      1.6474    119.677     29.2416     2.1269      29.2416     
1 1 1 16 9  17 o 50.3119 3.7635  4.7107       0.964203  4.85177      0.968964  54.9878     154.167     7.47211     154.167     
1 1 1 16 9  18 o 35.8186 4.61115 2.74412      0.825878  2.25934      0.820809  18.5772     64.5719     35.1067     244.572     
1 1 1 16 9  19 f 43.8488 3.77666 4.30583      0.79164   3.05974      0.851201  48.7311     107.822     0           0           
1 1 1 16 9  20 o 49.1117 3.22228 4.92386      0.793231  4.1734       0.820602  63.0291     158.912     27.5331     158.912     
1 1 1 16 9  21 o 91.6426 2.5687  15.8232      1.229     15.4186      1.20666   97.3133     351.963     0.0109412   171.963     
1 1 1 16 9  22 o 22.0788 4.56568 0.937083     0.563568  0.972076     0.5477    9.21842     75.8511     18.2069     255.851     
1 1 1 16 9  23 o 60.1498 2.8766  6.00363      0.887723  7.62917      0.884289  40.7398     313.017     44.5154     133.017     
1 1 1 16 9  24 o 21.8576 4.51045 1.07592      0.555194  0.813221     0.535135  14.1788     182.615     3.12087     2.61518     
1 1 1 16 9  25 o 52.4688 3.14426 5.70342      0.899344  4.77518      0.795903  64.5081     103.136     21.8323     103.136     
1 1 1 16 9  26 f 64.2758 3.07227 7.40256      1.02394   8.29152      1.00726   48.9903     65.4364     0           0           
1 1 1 16 9  27 o 101.271 2.68388 19.8655      1.36218   18.7791      1.44578   136.878     155.98      61.7916     155.98      
1 1 1 16 9  28 o 58.5294 3.10462 7.93625      0.962469  5.30068      0.889567  68.4647     16.2601     16.2016     16.2601     
1 1 1 16 9  29 o 29.4498 4.50299 1.03599      0.678672  2.62165      0.692598  33.3787     38.6954     10.5585     38.6954     
1 1 1 16 9  30 o 15.3059 4.29245 -0.115723    0.527737  0.572799     0.542731  2.90279     278.451     21.5645     98.451      
1 1 1 16 9  31 o 22.6119 4.76261 1.33782      0.623719  0.784965     0.599498  19.1875     95.4288     3.89725     275.429     
1 1 1 16 9  32 o 11.6492 3.70206 -0.717946    0.482327  0.128934     0.503577  2.87878     216.586     3.22192     36.5858     
1 1 1 16 9  33 f 19.8268 4.72819 0.221287     0.644926  1.224        0.618177  19.4137     354.747     0           0           
1 1 1 16 9  34 o 9.77106 3.33778 -0.55283     0.547315  -0.803378    0.457075  0.64264     224.236     4.67489     44.2362     
1 1 1 16 9  35 o 46.2446 3.42586 5.02566      0.818322  3.55605      0.782236  43.491      3.34066     5.76197     183.341     
1 1 1 16 9  36 o 28.3063 4.58392 2.14075      0.676761  1.37282      0.651287  34.4485     343.52      16.9456     343.52      
1 1 1 16 9  37 o 15.3558 4.38529 -0.0208309   0.573597  0.571799     0.551334  10.6665     289.419     0.0701366   289.419     
1 1 1 16 9  38 o 22.6427 4.92199 1.5594       0.636736  0.740174     0.712244  19.6384     298.507     2.23196     118.507     
1 1 1 16 9  39 o 19.0414 5.2061  0.463529     0.735774  1.03879      0.753985  11.5287     257.514     11.272      77.5137     
1 1 1 16 9  40 o 23.0846 5.26971 1.52648      0.733165  1.12298      0.714744  25.0902     190.791     9.65643     190.791     
1 1 1 16 9  41 o 14.5812 4.43489 -0.00799559  0.664833  0.41088      0.576136  10.7754     302.7       2.78769     302.7       
1 1 1 16 9  42 o 14.4028 4.31529 -0.147754    0.620379  0.545094     0.558208  7.72111     98.7614     8.22216     278.761     
1 1 1 16 9  43 o 13.1043 4.16659 0.192748     0.60292   -0.124569    0.587765  5.75973     358.37      0.505333    358.37      
1 1 1 16 9  44 o 22.8695 5.19432 1.04361      0.733401  1.88209      0.727076  22.972      158.169     6.88766     158.169     
1 1 1 16 9  45 o 9.54537 3.32296 -1.34236     0.646732  -0.568153    0.543245  0.745979    0.506195    9.31947     180.506     
1 1 1 16 9  46 o 20.0817 5.47327 0.976482     0.814379  1.59094      0.826657  17.0085     339.164     0.63338     339.164     
1 1 1 16 9  47 o 10.1837 3.49083 -0.649246    0.594233  -0.442518    0.553427  1.43825     24.3352     3.98962     204.335     
1 1 1 16 9  48 o 18.109  4.6189  -0.128894    0.667949  1.7192       0.686767  5.20128     143.454     3.01362     143.454     
1 1 1 16 9  49 o 16.0128 4.76576 0.894723     0.69379   0.494947     0.661439  9.7593      184.864     2.45329     184.864     
1 1 1 16 9  50 o 15.1869 4.587   1.16028      0.714841  -0.103981    0.647862  9.45961     319.579     2.44447     139.579     
1 1 1 16 9  51 o 20.8903 5.56398 0.696437     0.902902  2.61889      0.943026  16.5889     137.661     11.5057     137.661     
1 1 1 16 10 0  o 68.1277 2.7506  8.61373      0.964061  8.61373      0.964061  52.1447     360         45.836      180         
1 1 1 16 10 1  o 125.963 2.42406 30.261       1.58618   28.2225      1.57529   152.191     44.2854     32.4552     44.2854     
1 1 1 16 10 2  o 32.7418 3.95682 1.31963      0.615258  2.90147      0.646748  13.0407     275.748     4.97795     95.7481     
1 1 1 16 10 3  o 61.9489 2.92192 7.72735      0.895128  6.52172      0.958245  40.7634     61.423      47.0081     241.423     
1 1 1 16 10 4  f 21.682  4.83248 0.865288     0.625646  0.870781     0.58798   24.694      163.035     0           0           
1 1 1 16 10 5  o 30.5127 4.44074 1.40067      0.689258  2.21725      0.668991  8.00802     1.99538     6.82917     181.995     
1 1 1 16 10 6  o 49.5495 3.25634 4.53824      0.876252  4.61811      0.772337  39.9711     122.022     15.9221     302.022     
1 1 1 16 10 7  o 65.1572 2.75455 8.40738      0.932339  7.33055      0.917371  67.5837     77.2422     2.81589     77.2422     
1 1 1 16 10 8  o 97.8657 2.52737 17.4492      1.2874    17.9078      1.27213   94.3816     165.869     20.3794     345.869     
1 1 1 16 10 9  o 77.586  2.6326  11.1864      1.05967   11.0726      1.05168   95.8266     283.357     31.1619     283.357     
1 1 1 16 10 10 o 66.9841 2.74668 9.12791      0.961577  7.53404      0.933271  74.6834     166.915     11.9966     166.915     
1 1 1 16 10 11 o 49.1414 3.05879 5.16477      0.786533  3.88604      0.747916  51.0684     290.736     7.58451     290.736     
1 1 1 16 10 12 o 38.6187 3.52778 2.4095       0.681003  3.25242      0.683906  36.5065     262.693     10.3102     262.693     
1 1 1 16 10 13 o 57.0709 2.8505  5.58781      0.836296  6.54392      0.834918  34.1783     319.185     50.9825     139.185     
1 1 1 16 10 14 o 87.9456 2.79654 13.8757      1.30753   14.824       1.23066   57.5268     283.024     73.4622     103.024     
1 1 1 16 10 15 o 88.8455 2.80522 14.827       1.33587   14.483       1.24058   116.9       343.645     45.21       343.645     
1 1 1 16 10 16 o 67.3412 3.1492  9.09481      1.15264   7.87119      1.03465   62.5891     111.889     17.3795     291.889     
1 1 1 16 10 17 f 33.1604 4.21073 1.50514      0.694156  2.84241      0.673208  24.4133     331.331     0           0           
1 1 1 16 10 18 o 38.3226 3.97826 2.5775       0.792438  3.07285      0.727316  26.8293     82.096      23.6462     262.096     
1 1 1 16 10 19 o 25.5285 4.88476 1.21461      0.623528  1.37192      0.700786  19.0308     76.5335     0.726294    256.534     
1 1 1 16 10 20 o 50.198  3.30881 4.71431      0.843044  4.81087      0.859086  35.0378     195.252     34.0898     15.2518     
1 1 1 16 10 21 o 78.8638 2.82355 11.532       1.082     11.7403      1.21589   81.4276     38.834      3.18337     218.834     
1 1 1 16 10 22 o 75.831  2.72323 10.8         1.05685   10.7228      1.07682   88.5779     347.122     18.3627     347.122     
1 1 1 16 10 23 o 83.5918 2.62383 14.3398      1.14206   11.8666      1.12008   90.0076     41.8702     4.36844     41.8701     
1 1 1 16 10 24 o 31.8932 3.91695 2.32571      0.636643  1.69754      0.607096  30.0584     164.286     1.54504     344.285     
1 1 1 16 10 25 o 18.1893 4.59254 0.557894     0.59151   0.601443     0.505714  10.0796     184.798     2.56602     4.79764     
1 1 1 16 10 26 o 42.5812 3.60896 3.15726      0.780486  3.91411      0.769802  51.6653     156.937     17.7541     156.937     
1 1 1 16 10 27 o 21.2184 4.58533 0.37802      0.574732  1.38126      0.61281   17.0035     289.62      8.72311     289.62      
1 1 1 16 10 28 o 62.7474 3.04688 8.26914      1.00929   6.83556      0.957808  65.8979     108.25      2.13838     108.25      
1 1 1 16 10 29 o 42.1484 3.64451 4.19271      0.795877  2.84767      0.745124  45.1599     141.501     4.83082     141.501     
1 1 1 16 10 30 o 23.8038 4.75158 1.08688      0.615633  1.28661      0.611254  15.6764     172.734     14.5506     352.734     
1 1 1 16 10 31 o 25.8094 4.44908 0.832963     0.612534  1.98796      0.621265  23.5415     130.734     2.36259     310.734     
1 1 1 16 10 32 o 9.87382 3.30384 -0.159973    0.472118  -1.00604     0.451331  0.261272    341.638     9.64133     161.639     
1 1 1 16 10 33 o 36.2627 4.26713 2.85881      0.79484   2.60409      0.753192  33.9393     101.216     4.01097     281.216     
1 1 1 16 10 34 o 22.6322 4.97068 0.897518     0.693196  1.31748      0.623422  16.7502     244.62      8.64861     64.6197     
1 1 1 16 10 35 o 15.1987 4.4515  0.389243     0.559627  0.0944765    0.60147   5.77878     14.5148     14.2156     194.515     
1 1 1 16 10 36 f 56.5533 3.28946 5.68942      0.897391  7.11374      1.0146    47.1425     219.402     0           0           
1 1 1 16 10 37 o 24.9702 4.81326 1.91465      0.701703  0.965135     0.615689  21.695      322.55      3.38622     142.55      
1 1 1 16 10 38 o 17.5284 4.60295 0.189994     0.614229  0.937925     0.57685   15.5769     3.58843     7.29939     3.58843     
1 1 1 16 10 39 o 35.785  4.56645 2.96014      0.802929  2.83505      0.827904  39.5313     322.922     10.2365     322.922     
1 1 1 16 10 40 o 19.0693 5.08441 1.09175      0.701437  0.594961     0.694244  19.1176     323.008     8.03335     323.008     
1 1 1 16 10 41 o 15.7058 4.64433 0.504442     0.672224  0.350216     0.592052  9.87798     32.6881     6.59349     212.688     
1 1 1 16 10 42 o 14.1086 4.31328 0.320219     0.571075  0.148914     0.589796  8.75572     156.642     1.21875     156.642     
1 1 1 16 10 43 o 14.7331 4.41323 -0.291411    0.601977  0.80126      0.647622  8.60366     140.401     5.01237     320.401     
1 1 1 16 10 44 o 17.4215 4.89515 1.10982      0.712676  0.439693     0.632943  13.7198     7.07547     0.0962587   7.07531     
1 1 1 16 10 45 o 15.818  4.83956 0.737491     0.785422  0.370775     0.669563  11.5377     12.1192     2.89168     12.1192     
1 1 1 16 10 46 o 14.2234 4.46826 0.210579     0.652746  0.424044     0.66851   7.18541     86.5154     0.895482    86.5154     
1 1 1 16 10 47 o 12.907  4.18972 -0.243193    0.646873  0.326719     0.649046  4.84495     123.828     5.47855     303.828     
1 1 1 16 10 48 o 13.4396 4.28496 0.416426     0.641294  -0.0194572   0.633624  5.48641     241.637     1.54509     61.637      
1 1 1 16 10 49 o 16.1272 4.76032 0.405347     0.66951   1.04844      0.68932   8.13901     355.284     3.47899     355.284     
1 1 1 16 10 50 o 12.8351 4.19026 -0.145879    0.669467  0.347921     0.651147  5.86132     263.528     0.598747    83.5284     
1 1 1 16 10 51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 11 0  o 116.745 2.43195 25.1108      1.46882   25.1108      1.46882   110.612     5.43742e-06 34.6498     180         
1 1 1 16 11 1  o 22.8627 4.5255  1.02612      0.556089  0.981541     0.558942  10.2579     121.931     52.0852     121.931     
1 1 1 16 11 2  o 58.1247 2.8605  6.74712      0.861129  5.80679      0.848792  47.2158     221.547     23.9265     41.5468     
1 1 1 16 11 3  o 37.6938 3.44113 2.59658      0.661135  2.75441      0.651246  27.3798     34.8491     6.09476     214.849     
1 1 1 16 11 4  o 157.358 2.48309 43.7119      1.94074   47.6269      2.11101   176.811     215.788     12.6987     215.788     
1 1 1 16 11 5  o 44.0746 3.58522 3.21541      0.804448  4.11325      0.789591  37.7353     157.079     6.6065      337.079     
1 1 1 16 11 6  f 79.1699 2.85557 11.1865      1.17792   12.0428      1.15586   93.3263     169.44      0           0           
1 1 1 16 11 7  o 77.6903 2.75335 11.0879      1.16317   11.2651      1.04283   93.0349     80.1915     24.0843     80.1915     
1 1 1 16 11 8  o 17.7744 4.2351  0.954116     0.538764  0.00813603   0.481793  4.60991     301.764     20.7641     301.764     
1 1 1 16 11 9  o 103.421 2.48347 20.5565      1.34418   18.9831      1.31411   72.3981     299.935     77.6274     119.935     
1 1 1 16 11 10 o 40.9246 3.35723 3.75511      0.708818  2.59965      0.67367   26.5542     111.423     27.8469     291.423     
1 1 1 16 11 11 o 57.9623 2.96626 5.94283      0.885445  6.57981      0.882858  83.0096     316.13      53.5894     316.13      
1 1 1 16 11 12 o 40.0109 3.62002 3.90437      0.719886  2.26864      0.702641  28.9138     252.522     22.221      72.5222     
1 1 1 16 11 13 o 40.0251 3.59881 3.72024      0.730141  2.42149      0.703788  33.1047     275.328     14.3327     95.3284     
1 1 1 16 11 14 o 95.1294 2.84579 17.4153      1.40908   16.2423      1.39044   90.1692     325.827     23.1673     145.827     
1 1 1 16 11 15 o 32.2827 4.09355 1.82635      0.663563  2.21734      0.652846  27.8376     339.576     5.33353     159.576     
1 1 1 16 11 16 o 42.1642 3.65643 3.43977      0.755538  3.32397      0.806806  25.53       296.98      35.4712     116.98      
1 1 1 16 11 17 o 74.9207 2.78978 10.564       1.08627   10.3743      1.07298   94.3434     259.591     31.542      259.591     
1 1 1 16 11 18 o 37.9915 3.39824 2.69879      0.658853  2.79814      0.649198  40.8714     85.4615     8.1558      85.4615     
1 1 1 16 11 19 o 13.1678 3.93997 -0.0272039   0.477161  0.106084     0.454005  3.25242     117.293     16.7484     117.293     
1 1 1 16 11 20 o 16.4399 4.41264 0.332125     0.563982  0.434124     0.47749   7.57169     158.722     42.4019     158.722     
1 1 1 16 11 21 o 38.984  3.9145  2.31703      0.748442  3.64931      0.755487  34.7901     323.238     8.39064     143.238     
1 1 1 16 11 22 o 18.9724 4.74204 0.661681     0.600066  0.615625     0.563713  5.45172     155.02      0.192831    335.02      
1 1 1 16 11 23 o 29.5017 4.32215 1.60798      0.611947  1.88659      0.667274  18.2774     36.4534     21.3342     216.453     
1 1 1 16 11 24 o 10.3991 3.42861 -0.396542    0.463847  -0.37503     0.441619  0.792744    63.755      5.21387     63.7551     
1 1 1 16 11 25 o 26.4881 4.77146 1.20067      0.706013  1.68683      0.625466  29.3273     163.136     12.6339     163.136     
1 1 1 16 11 26 o 38.7633 4.12924 2.80614      0.805364  3.19879      0.798837  48.0696     80.795      19.3125     80.795      
1 1 1 16 11 27 o 23.697  4.30896 1.80338      0.584993  0.483093     0.583019  25.3339     271.234     8.44371     271.234     
1 1 1 16 11 28 o 55.3994 3.21481 5.92722      0.903395  5.91492      0.926529  68.3553     170.707     23.4302     170.707     
1 1 1 16 11 29 o 54.8783 3.28293 5.20945      0.890308  6.50754      0.956865  57.4919     291.305     2.83111     291.305     
1 1 1 16 11 30 o 15.5268 4.35171 0.155384     0.530063  0.468439     0.525909  5.48591     111.572     1.93958     111.572     
1 1 1 16 11 31 o 28.6145 4.55948 1.43614      0.626664  2.05438      0.698917  23.7009     2.97294     8.35189     182.973     
1 1 1 16 11 32 o 15.2897 4.2361  0.721663     0.545858  -0.394006    0.563427  9.94945     209.117     2.37374     29.117      
1 1 1 16 11 33 o 18.7187 4.80413 -0.127242    0.763928  1.11176      0.623664  11.3799     247.522     10.7107     67.522      
1 1 1 16 11 34 o 29.2445 4.70742 1.34028      0.739346  2.4329       0.684235  18.0273     297.461     20.8793     117.461     
1 1 1 16 11 35 o 23.4373 4.92308 0.99693      0.683171  1.45489      0.627246  19.5931     295.014     4.15516     115.014     
1 1 1 16 11 36 o 19.9973 4.84856 0.898022     0.624789  0.863174     0.587159  17.0632     38.4687     1.01395     218.469     
1 1 1 16 11 37 o 16.3401 4.5884  0.608004     0.601925  0.314775     0.565284  8.96772     51.2477     10.4868     231.248     
1 1 1 16 11 38 o 32.3202 4.49211 2.44122      0.732471  2.27171      0.719045  31.4237     311.867     0.836503    311.866     
1 1 1 16 11 39 o 19.918  4.71844 0.519566     0.60754   1.3159       0.608857  20.9401     238.348     13.0634     238.348     
1 1 1 16 11 40 o 26.3184 5.0473  2.10114      0.696067  1.40862      0.756156  25.0014     281.363     1.22897     281.363     
1 1 1 16 11 41 o 15.0779 4.56242 0.752122     0.680734  -0.318661    0.673806  4.77266     278.575     16.3305     98.5753     
1 1 1 16 11 42 o 19.4445 5.03745 0.605073     0.731338  1.33809      0.672833  18.3123     47.5411     7.54757     47.5411     
1 1 1 16 11 43 o 12.7041 3.9908  -0.677144    0.586078  0.49008      0.564608  4.78393     103.626     0.0260465   283.626     
1 1 1 16 11 44 o 16.4365 4.74806 0.693831     0.658877  0.632721     0.622282  5.37965     16.4745     3.07365     16.4745     
1 1 1 16 11 45 o 17.1618 5.01057 0.91454      0.726206  0.725039     0.723604  13.2962     139.488     1.40455     139.488     
1 1 1 16 11 46 o 14.1715 4.41495 0.501552     0.645344  0.170707     0.622867  6.62138     253.641     6.46147     73.6407     
1 1 1 16 11 47 o 9.66013 3.34916 -0.312531    0.591971  -1.07131     0.523845  0.224178    7.83645     6.95472     187.836     
1 1 1 16 11 48 o 14.5734 4.58908 0.470373     0.681773  0.404674     0.719867  5.6115      219.318     10.9777     39.3176     
1 1 1 16 11 49 o 16.0374 4.79409 0.853965     0.703842  0.67906      0.66803   6.66765     89.9938     12.6705     269.994     
1 1 1 16 11 50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 12 0  o 9.13993 4.17757 -0.00844548  0.463462  -0.00844548  0.463462  41.8925     180         93.8563     180         
1 1 1 16 12 1  o 179.921 2.38508 58.0722      2.21609   61.3639      2.23187   196.637     248.802     3.67975     248.802     
1 1 1 16 12 2  f 68.9985 2.70928 8.82155      0.967156  8.82662      0.963233  59.2559     132.571     0           0           
1 1 1 16 12 3  o 40.4338 3.26936 2.89638      0.668955  3.25071      0.675116  28.7796     282.799     20.8265     102.799     
1 1 1 16 12 4  o 26.2888 4.18052 1.72588      0.568259  0.981507     0.555511  7.08607     83.8304     28.0606     263.83      
1 1 1 16 12 5  o 66.6829 2.8377  7.48769      0.92646   9.0639       1.02645   67.0517     169.241     5.10493     349.241     
1 1 1 16 12 6  o 107.695 2.68867 20.2521      1.50254   22.7266      1.48999   100.609     247.592     29.8675     67.5921     
1 1 1 16 12 7  o 41.3441 3.68271 3.19019      0.793646  3.27919      0.748028  22.0691     260.288     39.3899     80.288      
1 1 1 16 12 8  o 60.5862 3.08574 6.49362      1.00742   7.20922      0.90672   69.3511     226.899     13.3941     226.899     
1 1 1 16 12 9  o 95.7495 2.6345  16.7826      1.30002   17.2009      1.31008   107.482     219.207     10.5543     219.207     
1 1 1 16 12 10 o 19.5148 4.33037 0.345702     0.513547  1.01855      0.515066  4.40174     301.269     19.0329     121.269     
1 1 1 16 12 11 o 57.6675 3.10424 5.78808      0.955027  6.66776      0.874484  58.613      188.284     3.07725     8.28425     
1 1 1 16 12 12 o 64.1178 3.05559 8.48153      1.02952   6.92412      0.985458  78.8407     266.825     24.1216     266.825     
1 1 1 16 12 13 o 77.6434 2.7811  10.707       1.12285   11.7527      1.1056    91.9324     135.006     20.1313     135.006     
1 1 1 16 12 14 o 80.7023 2.88453 12.0825      1.14825   12.2168      1.25526   85.8376     250.566     1.06315     250.566     
1 1 1 16 12 15 o 72.033  2.77296 10.0455      1.04428   9.32351      1.01839   96.8521     356.611     43.7315     356.611     
1 1 1 16 12 16 o 61.2075 2.88554 7.10943      0.895344  6.92235      0.924384  73.0901     262.204     19.6149     262.204     
1 1 1 16 12 17 o 37.5795 3.54188 3.46064      0.683558  2.03856      0.633209  43.7552     206.1       16.6846     206.1       
1 1 1 16 12 18 o 64.9047 2.74619 7.47934      0.916592  8.30865      0.920951  78.701      345.711     22.977      345.711     
1 1 1 16 12 19 o 21.7915 4.31423 0.633839     0.529986  1.22752      0.516133  9.99642     144.889     17.3915     324.889     
1 1 1 16 12 20 o 52.2833 2.95262 5.09292      0.799308  5.23825      0.787423  53.7143     14.9423     0.00775365  194.925     
1 1 1 16 12 21 o 22.0062 4.36448 0.654416     0.547629  1.26178      0.523892  7.86916     97.7008     24.9351     277.701     
1 1 1 16 12 22 o 49.6956 3.14502 5.08713      0.847573  4.35108      0.756495  28.3267     321.616     46.2094     141.616     
1 1 1 16 12 23 o 16.7034 4.40556 -0.0278448   0.553046  0.758048     0.547704  4.88298     223.944     18.094      43.9437     
1 1 1 16 12 24 o 36.5006 4.14879 2.64009      0.768726  2.68265      0.747611  30.0217     18.3184     13.471      198.318     
1 1 1 16 12 25 o 50.7873 3.50771 5.38565      0.928693  4.65463      0.892791  58.9294     334.426     14.1925     334.426     
1 1 1 16 12 26 o 43.1837 3.62527 3.71252      0.800391  3.59749      0.790936  34.9876     356.712     18.1268     176.712     
1 1 1 16 12 27 o 37.0739 4.92112 2.82979      0.716438  2.88806      1.07887   44.1244     337.355     14.9507     337.355     
1 1 1 16 12 28 o 48.7615 3.46198 4.52671      0.880077  4.78542      0.84375   49.0954     225.448     0.882502    45.448      
1 1 1 16 12 29 o 51.8351 3.45825 5.92682      1.02532   4.67516      0.814026  65.3371     212.106     26.108      212.106     
1 1 1 16 12 30 o 24.7842 4.68704 1.30774      0.636874  1.32552      0.591566  28.0617     288.136     11.7335     288.136     
1 1 1 16 12 31 o 35.078  4.06819 1.9572       0.700158  3.16748      0.699948  31.8597     140.343     5.55304     320.343     
1 1 1 16 12 32 o 10.0445 3.36052 -0.678954    0.491951  -0.306161    0.44756   0.943772    203.224     3.88659     23.2238     
1 1 1 16 12 33 o 26.8536 4.87324 1.12583      0.713968  2.09318      0.695833  25.6625     316.921     0.868414    316.921     
1 1 1 16 12 34 o 14.9524 4.32955 0.260084     0.540785  0.305311     0.528208  7.95084     73.5005     2.15869     73.5005     
1 1 1 16 12 35 o 29.325  4.50736 2.62767      0.684791  1.25034      0.67326   30.6721     23.4019     5.77426     23.4019     
1 1 1 16 12 36 o 10.8303 3.58901 -0.306344    0.528434  -0.407912    0.482573  1.32756     302.067     13.5531     122.067     
1 1 1 16 12 37 o 40.1241 3.84591 3.72326      0.781188  3.15542      0.772136  48.0657     3.12534     18.5322     3.12534     
1 1 1 16 12 38 o 51.1504 3.38059 5.33843      0.896462  5.57617      0.873954  46.4404     291.587     7.34969     111.587     
1 1 1 16 12 39 o 32.609  4.48162 2.61477      0.738001  2.34815      0.722406  28.9606     320.744     4.31478     140.744     
1 1 1 16 12 40 o 12.9883 3.91265 -1.02052     0.559945  0.644383     0.544687  5.90148     52.5035     0.947043    52.5034     
1 1 1 16 12 41 o 24.9438 5.47361 2.01693      0.754491  1.51374      0.856739  18.2755     2.77306     8.84109     182.773     
1 1 1 16 12 42 o 20.6585 5.03653 0.284261     0.715819  1.9999       0.782442  12.9772     30.3109     10.5863     210.311     
1 1 1 16 12 43 o 16.9781 4.76444 1.27133      0.723733  0.152789     0.588752  10.1044     239.798     8.14795     59.7978     
1 1 1 16 12 44 o 15.8268 4.52592 1.1735       0.664474  -0.239276    0.629745  11.2645     243.662     3.18457     243.662     
1 1 1 16 12 45 o 13.907  4.43407 0.399706     0.701135  0.0880005    0.651479  5.81753     67.442      8.17804     247.442     
1 1 1 16 12 46 o 13.665  4.18226 0.833961     0.621613  -0.559989    0.583263  6.0589      0.234299    3.11799     180.234     
1 1 1 16 12 47 o 12.7728 4.15626 0.144575     0.637518  0.0327991    0.62992   4.58685     176.749     1.60125     356.749     
1 1 1 16 12 48 o 12.3251 4.00882 0.629163     0.649714  -0.890435    0.606252  5.08002     173.61      4.22455     353.61      
1 1 1 16 12 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 13 0  o 36.4237 3.48711 2.58054      0.624382  2.58054      0.624382  32.9567     5.05126e-05 24.2754     5.05126e-05 
1 1 1 16 13 1  o 81.2262 2.54539 11.784       1.06301   12.6757      1.07439   72.3327     183.653     28.2523     3.65265     
1 1 1 16 13 2  o 17.4626 4.22224 0.790433     0.486585  0.189445     0.482648  1.46278     124.782     8.89363     304.782     
1 1 1 16 13 3  o 51.6271 3.01835 4.81497      0.785455  5.15094      0.815658  59.869      100.321     14.308      100.321     
1 1 1 16 13 4  f 69.9149 2.77644 9.65088      1.00986   8.54133      0.992512  46.8014     178.002     0           0           
1 1 1 16 13 5  o 55.6507 2.9567  5.11629      0.837518  6.48733      0.846943  44.4225     112.545     27.7051     292.545     
1 1 1 16 13 6  f 35.8209 3.84072 2.3716       0.656508  2.54102      0.725094  35.8208     185.574     0           0           
1 1 1 16 13 7  o 26.3159 4.77042 1.77489      0.710344  0.979458     0.618198  14.6118     183.917     18.1007     3.91717     
1 1 1 16 13 8  o 28.9044 4.78913 1.72419      0.745156  1.576        0.664985  25.4455     248.14      2.60038     248.14      
1 1 1 16 13 9  o 56.7512 3.14983 6.48334      0.92595   5.60745      0.90949   70.3016     47.4285     24.0885     47.4285     
1 1 1 16 13 10 o 43.5928 3.51043 2.75093      0.762847  4.56451      0.740298  40.8936     209.099     6.36728     29.099      
1 1 1 16 13 11 o 76.8344 2.77381 10.8065      1.10855   11.2016      1.09299   69.9687     335.854     22.372      155.854     
1 1 1 16 13 12 o 16.1783 4.30228 0.324666     0.497633  0.431026     0.48452   1.13023     342.02      8.95078     162.02      
1 1 1 16 13 13 o 46.5109 3.17879 3.94168      0.767169  4.2269       0.744468  38.6886     325.089     17.805      145.089     
1 1 1 16 13 14 f 24.5296 4.36307 1.10311      0.547038  1.28264      0.562574  15.5774     73.9357     0           0           
1 1 1 16 13 15 o 68.6395 2.66707 9.14887      0.957552  8.46508      0.93274   78.36       183.355     13.872      183.355     
1 1 1 16 13 16 o 74.4248 2.63589 10.5012      1.0233    10.2048      1.00404   76.7613     12.9975     2.1922      192.998     
1 1 1 16 13 17 o 84.5832 2.57893 12.6581      1.12674   14.0989      1.12677   77.9179     233.834     21.8408     53.834      
1 1 1 16 13 18 o 35.7777 3.58807 2.19872      0.645553  2.76868      0.638896  32.7936     166.236     5.10842     346.236     
1 1 1 16 13 19 o 13.6743 3.89938 0.447458     0.471952  -0.260885    0.44117   1.25621     154         20.5042     154         
1 1 1 16 13 20 o 62.0357 2.78262 7.51227      0.904301  7.02119      0.876029  62.3368     240.576     3.89621     60.5757     
1 1 1 16 13 21 o 33.5845 3.69613 2.38569      0.63749   2.04809      0.606794  31.3465     164.231     3.82912     344.231     
1 1 1 16 13 22 o 27.9618 4.78176 1.32093      0.609743  1.94265      0.76663   28.5967     283.326     4.74234     283.326     
1 1 1 16 13 23 o 16.0589 4.4891  0.355137     0.536128  0.323677     0.570353  3.19552     347.793     21.6115     167.793     
1 1 1 16 13 24 o 31.439  4.39223 2.5632       0.78101   1.53249      0.607046  32.4873     68.1601     3.36        68.1602     
1 1 1 16 13 25 o 52.1269 3.55457 5.16398      1.00233   5.44018      0.88489   57.9939     111.498     9.63426     111.498     
1 1 1 16 13 26 o 49.7976 4.13691 4.16049      1.01976   5.8259       1.04955   41.4244     64.7463     18.6417     244.746     
1 1 1 16 13 27 o 29.1086 4.62557 2.76555      0.677007  0.830686     0.785673  33.4141     50.9064     11.5294     50.9064     
1 1 1 16 13 28 o 32.373  4.10141 2.18397      0.669323  2.11224      0.656648  26.4966     66.4316     11.0252     246.432     
1 1 1 16 13 29 f 26.4734 4.33375 0.942811     0.603677  2.054        0.599555  25.0636     244.328     0           0           
1 1 1 16 13 30 o 39.4684 3.64001 2.9242       0.723205  3.3495       0.727396  38.7951     253.854     0.706811    73.854      
1 1 1 16 13 31 o 19.2846 4.27934 -0.0365303   0.563316  1.36934      0.571679  16.5967     310.313     0.108837    310.313     
1 1 1 16 13 32 o 23.0743 4.76765 1.44708      0.601181  0.886335     0.645711  25.444      290.977     11.8411     290.977     
1 1 1 16 13 33 o 40.443  4.17085 3.74695      0.880932  3.15978      0.815852  40.1477     305.171     0.933313    305.172     
1 1 1 16 13 34 o 23.1464 4.82839 1.40843      0.642937  1.04596      0.601532  22.3459     301.185     2.75563     301.185     
1 1 1 16 13 35 o 19.308  4.7802  0.614593     0.593588  1.02556      0.605611  12.3661     211.313     10.1839     31.3133     
1 1 1 16 13 36 o 37.9415 3.99169 2.68635      0.755916  3.55186      0.749156  40.3482     33.8501     7.3423      33.8501     
1 1 1 16 13 37 o 22.9057 4.82356 0.926204     0.650089  1.61831      0.627927  18.3062     58.3654     5.63167     238.365     
1 1 1 16 13 38 f 28.4835 4.61626 1.11159      0.697363  2.90053      0.717779  30.244      31.3667     0           0           
1 1 1 16 13 39 o 37.0766 4.40934 3.10677      0.825733  3.32396      0.807146  47.8124     41.2492     26.4085     41.2492     
1 1 1 16 13 40 o 20.7684 4.97833 0.723557     0.677911  1.54826      0.670692  21.0132     356.941     11.0256     356.941     
1 1 1 16 13 41 f 13.3279 4.0688  -0.474959    0.559093  0.604265     0.561394  12.0242     226.092     0           0           
1 1 1 16 13 42 o 16.829  4.8916  0.558198     0.638958  0.869606     0.731155  12.0692     81.3016     5.5876      81.3016     
1 1 1 16 13 43 o 16.7512 4.99427 0.349465     0.785509  1.03352      0.746938  9.87218     133.169     7.45095     313.169     
1 1 1 16 13 44 o 13.5603 4.40591 -0.417903    0.884756  0.365944     0.628751  3.10424     19.966      0.200974    19.966      
1 1 1 16 13 45 o 8.57175 3.01552 -1.11666     0.560839  -0.823536    0.495522  0.151737    17.6143     1.52819     17.6143     
1 1 1 16 13 46 o 12.4562 4.05312 0.425969     0.646655  -0.433858    0.578295  4.05008     276.27      7.7147      96.2703     
1 1 1 16 13 47 o 15.0145 4.58532 0.497667     0.683029  0.638543     0.628554  8.75325     243.449     1.91984     243.449     
1 1 1 16 13 48 o 14.0844 4.25939 1.10822      0.662262  -0.727437    0.605464  8.43446     300.242     1.37692     300.242     
1 1 1 16 14 0  o 54.4891 3.1329  5.59357      0.870989  5.59357      0.870989  79.6328     180         42.1644     180         
1 1 1 16 14 1  o 12.5626 3.78253 -0.139405    0.436732  0.128957     0.438045  9.29641     53.5715     32.4961     53.5715     
1 1 1 16 14 2  o 27.9774 4.20165 1.53921      0.587715  1.52321      0.593282  9.38748     262.366     35.0527     82.3663     
1 1 1 16 14 3  o 50.8018 3.25228 4.09053      0.829772  5.68552      0.847119  38.4749     213.031     28.321      33.0308     
1 1 1 16 14 4  o 81.4556 2.86533 12.2248      1.20351   12.5159      1.20849   96.666      251.076     21.7832     251.076     
1 1 1 16 14 5  o 68.5269 3.09613 9.33198      1.15773   8.26948      1.03132   69.63       78.533      4.38973     258.533     
1 1 1 16 14 6  o 23.9213 4.7729  1.02462      0.601829  1.22776      0.634857  13.945      68.6301     10.8533     248.63      
1 1 1 16 14 7  o 23.7635 5.10685 1.22221      0.76569   0.986983     0.604313  12.1042     134.557     15.5485     314.557     
1 1 1 16 14 8  o 14.2997 4.09965 -0.96357     0.652273  0.513982     0.497908  10.0787     280.887     40.7934     280.887     
1 1 1 16 14 9  o 63.2714 3.30133 7.22537      1.18285   7.86134      0.937289  72.6933     227.867     14.3202     227.867     
1 1 1 16 14 10 o 145.309 2.71202 37.6091      2.12092   41.0814      1.94707   172.456     124.781     36.3225     124.781     
1 1 1 16 14 11 o 41.4477 3.40548 3.4972       0.757686  3.05257      0.679129  45.2361     271.119     8.89147     271.119     
1 1 1 16 14 12 o 18.6283 4.45174 0.684725     0.54199   0.580993     0.479119  4.8195      240.724     16.6023     60.7237     
1 1 1 16 14 13 o 120.779 2.57466 26.999       1.68151   27.4074      1.53375   138.76      128.484     22.5603     128.484     
1 1 1 16 14 14 o 21.3743 4.51926 0.999003     0.579765  0.802137     0.499649  8.3393      291.91      1.84159     291.91      
1 1 1 16 14 15 o 40.3719 3.3987  2.31388      0.674339  4.04788      0.664018  32.6225     14.2022     16.2997     194.202     
1 1 1 16 14 16 o 25.7429 4.39816 1.45811      0.560036  1.20712      0.604248  24.6524     25.4282     7.22927     25.4282     
1 1 1 16 14 17 o 22.9415 4.66907 1.28007      0.540671  0.790256     0.6699    19.4851     189.039     5.90398     189.039     
1 1 1 16 14 18 o 31.5767 3.8468  1.90744      0.619865  2.02677      0.59267   19.4375     7.29439     24.072      187.294     
1 1 1 16 14 19 o 20.6641 4.50896 1.23734      0.606349  0.46948      0.494767  11.6147     37.7965     13.9574     217.797     
1 1 1 16 14 20 o 52.6827 3.30744 4.5494       0.917655  6.19109      0.830752  60.5779     171.015     13.5027     171.015     
1 1 1 16 14 21 o 22.7199 4.62953 0.721876     0.645548  1.34829      0.554745  16.8713     58.7574     8.45614     238.757     
1 1 1 16 14 22 o 31.7372 4.01262 2.7151       0.660711  1.41676      0.598805  21.8684     103.083     19.7184     283.083     
1 1 1 16 14 23 o 18.6998 4.37145 0.924148     0.513746  0.400358     0.506426  6.53378     167.166     22.0501     347.166     
1 1 1 16 14 24 o 9.11197 3.09288 -0.591324    0.442303  -0.536402    0.402813  13.9012     177.206     43.2382     177.206     
1 1 1 16 14 25 o 30.5373 4.38798 1.8591       0.701718  1.99352      0.638789  33.5561     224.033     8.08099     224.033     
1 1 1 16 14 26 o 32.1411 4.62422 2.86056      0.818837  1.56307      0.679147  36.6115     198.515     11.1344     198.515     
1 1 1 16 14 27 o 35.738  4.37581 2.78894      0.7801    2.52206      0.781219  46.3477     96.2345     23.8134     96.2345     
1 1 1 16 14 28 o 21.9968 4.74186 1.08098      0.567962  0.987261     0.614579  9.72814     323.686     22.3043     143.686     
1 1 1 16 14 29 o 24.3412 4.31913 0.616947     0.579902  1.93381      0.596215  19.4418     128.942     7.01633     308.942     
1 1 1 16 14 30 o 26.0127 4.495   1.42897      0.609605  1.49887      0.592554  17.4959     271.323     14.777      91.3227     
1 1 1 16 14 31 f 53.2611 3.2014  5.36786      0.879858  5.89013      0.868484  46.7189     151.189     0           0           
1 1 1 16 14 32 f 14.2962 4.24627 -0.0273572   0.538924  0.374247     0.544827  16.9496     180.32      0           0           
1 1 1 16 14 33 f 13.5416 4.08776 -0.597888    0.575159  0.474657     0.544867  4.87592     345.9       0           0           
1 1 1 16 14 34 o 18.9518 4.66518 0.352798     0.599895  1.15533      0.598057  11.0988     264.71      12.1331     84.7104     
1 1 1 16 14 35 o 15.9958 4.473   0.136968     0.568912  0.720707     0.570931  12.5766     66.1015     0.335333    246.102     
1 1 1 16 14 36 o 15.4816 4.2965  -0.245941    0.573182  0.860577     0.561749  11.5229     243.077     2.12897     63.0766     
1 1 1 16 14 37 o 29.4754 4.91242 2.05305      0.80186   2.21331      0.67954   32.564      93.5121     10.6105     93.5121     
1 1 1 16 14 38 o 19.6895 4.59378 0.177557     0.618567  1.60984      0.643663  16.7537     125.11      0.369255    305.11      
1 1 1 16 14 39 o 12.6496 3.97602 -0.650992    0.541521  0.478259     0.579982  3.89969     37.7246     11.1564     217.725     
1 1 1 16 14 40 f 24.6138 5.11425 1.44859      0.691808  1.89877      0.711014  16.9024     342.21      0           0           
1 1 1 16 14 41 f 22.638  5.10061 1.34408      0.691501  1.56782      0.665438  13.1462     34.632      0           0           
1 1 1 16 14 42 f 15.0877 4.51814 0.305605     0.630266  0.635616     0.607018  19.0571     207.259     0           0           
1 1 1 16 14 43 o 14.2822 4.52754 0.206261     0.627023  0.426076     0.754521  6.98536     74.4773     5.64766     254.477     
1 1 1 16 14 44 f 14.7949 4.7609  -0.0528416   0.825115  0.673478     0.808694  6.72128     178.987     0           0           
1 1 1 16 14 45 o 16.0824 4.91947 0.439022     0.840438  0.883137     0.713122  10.3924     112.069     0.890913    112.069     
1 1 1 16 14 46 o 12.1929 4.01337 0.346365     0.645065  -0.442634    0.607559  4.70925     68.1296     3.15308     248.13      
1 1 1 16 14 47 o 23.7244 4.9522  2.76909      0.778542  0.848837     0.726528  24.0101     317.87      8.66087     317.87      
1 1 1 16 15 0  o 58.5334 3.06387 6.44316      0.917645  6.44316      0.917645  61.7589     360         1.37351     180         
1 1 1 16 15 1  o 23.8803 4.20743 1.46269      0.53779   0.799246     0.521309  15.5791     342.706     6.2493      162.706     
1 1 1 16 15 2  o 62.9582 2.90432 7.59981      0.970661  7.25469      0.91471   55.7238     47.1564     19.6724     227.156     
1 1 1 16 15 3  o 39.1797 3.50615 3.11024      0.735042  2.75639      0.657883  32.548      46.3173     12.9814     226.317     
1 1 1 16 15 4  o 23.1501 4.49826 0.817428     0.568296  1.29456      0.562247  2.70104     237.214     48.9839     237.214     
1 1 1 16 15 5  o 46.9476 3.42691 4.38396      0.830507  3.99487      0.81267   34.7199     142.712     26.6205     322.712     
1 1 1 16 15 6  o 42.7395 3.4314  3.31205      0.734452  3.65026      0.75856   31.3927     123.136     23.8803     303.136     
1 1 1 16 15 7  o 33.2997 4.2364  2.03853      0.640218  2.31685      0.768634  21.5154     112.691     22.2172     292.691     
1 1 1 16 15 8  o 16.2872 4.59434 0.0999277    0.614211  0.438781     0.572076  7.69724     324.513     42.2347     324.513     
1 1 1 16 15 9  o 55.0449 3.58296 6.48376      1.02482   5.11072      0.988432  51.9261     111.273     9.45604     291.273     
1 1 1 16 15 10 o 38.2036 3.79023 2.84735      0.652397  2.79873      0.796194  42.8386     254.831     11.5987     254.831     
1 1 1 16 15 11 o 70.6205 2.96003 8.60363      0.961842  10.2199      1.19666   80.4861     313.303     14.3786     313.304     
1 1 1 16 15 12 o 45.3086 3.33682 3.7557       0.774662  4.09335      0.76797   61.3375     298.147     33.7584     298.147     
1 1 1 16 15 13 o 26.0654 4.53066 1.3686       0.613506  1.37763      0.602035  19.5758     305.595     9.03007     125.595     
1 1 1 16 15 14 o 19.3589 4.56894 0.832953     0.546749  0.578646     0.536487  10.0913     39.092      11.4679     219.092     
1 1 1 16 15 15 o 27.0339 4.66381 1.81406      0.696998  1.19242      0.607153  28.5946     189.229     9.45523     189.229     
1 1 1 16 15 16 o 49.8299 3.23709 4.71635      0.829489  4.80364      0.823961  67.0559     171.654     33.7161     171.654     
1 1 1 16 15 17 o 15.921  4.32682 0.338296     0.539165  0.396149     0.467867  3.72433     67.7879     0.0233554   247.788     
1 1 1 16 15 18 o 83.8669 2.83168 14.1399      1.30979   12.5642      1.146     120.502     172.865     68.0349     172.865     
1 1 1 16 15 19 o 44.5211 3.21715 4.02941      0.748026  3.62557      0.715724  55.7043     22.3481     21.8861     22.3481     
1 1 1 16 15 20 o 36.691  3.58886 2.76662      0.668561  2.52348      0.659158  30.8691     200.048     12.1468     20.0477     
1 1 1 16 15 21 o 31.1893 3.92185 1.93256      0.618919  1.96837      0.602479  39.9515     264.351     20.3824     264.351     
1 1 1 16 15 22 o 34.6056 3.67252 2.73783      0.652673  2.03406      0.617453  34.2392     136.823     0.306599    316.824     
1 1 1 16 15 23 o 14.4891 3.99387 0.583596     0.477396  -0.200631    0.466978  7.85404     12.1545     6.04886     192.155     
1 1 1 16 15 24 o 31.0599 4.16992 2.44307      0.663403  1.5601       0.626821  22.7826     153.483     15.7406     333.483     
1 1 1 16 15 25 o 8.52408 2.93945 -0.312037    0.44202   -1.20701     0.381919  2.915       251.34      15.1713     251.341     
1 1 1 16 15 26 o 34.0967 4.31716 2.7352       0.749031  2.12549      0.718289  28.614      121.738     9.89246     301.738     
1 1 1 16 15 27 o 10.0672 3.3381  -0.507589    0.463618  -0.275903    0.42127   0.921492    24.6056     15.0623     24.6056     
1 1 1 16 15 28 o 16.3246 4.38838 0.735401     0.558196  0.123537     0.507062  9.39497     26.5916     8.56805     206.592     
1 1 1 16 15 29 o 17.4179 4.67283 0.353378     0.58784   0.728622     0.591535  12.0229     19.4299     5.09268     199.43      
1 1 1 16 15 30 o 11.7799 3.73216 -0.403319    0.4605    0.106669     0.49908   0.647561    221.717     17.2648     41.717      
1 1 1 16 15 31 o 9.20952 3.11    -0.924152    0.441111  -0.22769     0.418095  0.736412    190.977     3.77623     10.9773     
1 1 1 16 15 32 f 16.1816 4.45062 0.916334     0.619565  -0.190111    0.558493  14.7785     1.99882     0           0           
1 1 1 16 15 33 o 24.6263 4.94022 2.03394      0.744197  0.902589     0.62805   16.9626     155.805     12.2913     335.805     
1 1 1 16 15 34 o 14.6843 4.35186 0.190687     0.56821   0.373002     0.551964  4.99066     302.301     15.4812     122.301     
1 1 1 16 15 35 o 15.3675 4.28169 -0.0884463   0.537848  0.802173     0.55169   12.7399     158.406     3.72649     158.406     
1 1 1 16 15 36 o 10.7731 3.48224 0.34501      0.51782   -1.30445     0.436203  3.80801     133.479     3.39187     313.479     
1 1 1 16 15 37 o 9.67544 3.30209 -0.471327    0.521299  -0.614188    0.468526  0.112813    349.785     12.2685     169.785     
1 1 1 16 15 38 o 11.05   3.62274 0.302939     0.558933  -1.22214     0.499905  0.0824702   97.3071     16.3178     277.307     
1 1 1 16 15 39 o 18.7123 4.81449 0.643026     0.627255  1.18938      0.619676  16.1844     15.5918     2.48673     15.5918     
1 1 1 16 15 40 o 16.9987 4.77808 0.922529     0.654548  0.556527     0.613146  13.7243     314.527     2.16495     314.527     
1 1 1 16 15 41 o 21.012  5.05979 1.54896      0.679053  1.05738      0.660902  18.9243     255.842     3.18097     255.842     
1 1 1 16 15 42 o 9.45838 3.25542 -1.04041     0.550778  -0.30904     0.497316  0.319463    232.787     5.73144     52.7873     
1 1 1 16 15 43 o 17.6331 4.92374 1.16474      0.691658  0.635472     0.658554  12.8002     218.672     1.19657     218.672     
1 1 1 16 15 44 o 14.6613 4.71056 0.0855392    0.694452  0.720714     0.855377  6.41126     197.403     8.64512     17.403      
1 1 1 16 15 45 o 11.737  3.99816 -0.310015    0.733196  -0.324539    0.710183  1.87273     166.894     0.585582    346.894     
1 1 1 16 15 46 o 25.678  5.4512  2.07273      0.864691  2.31194      0.73864   29.4581     237.472     18.7833     237.472     
1 1 1 16 16 0  o 11.5119 4.59574 0.335624     0.419561  0.335624     0.419561  1.25569     180         6.08027     180         
1 1 1 16 16 1  o 72.0347 2.7304  9.33882      1.04778   10.1183      0.978086  79.9836     294.775     10.3345     294.775     
1 1 1 16 16 2  o 34.8106 3.79075 2.67001      0.661097  2.05487      0.654816  41.2677     340.657     18.4909     340.657     
1 1 1 16 16 3  o 26.4098 4.2172  1.61686      0.569818  1.16923      0.56167   20.9387     186.307     5.48718     6.30661     
1 1 1 16 16 4  o 22.938  4.5983  1.39994      0.551236  0.618312     0.663582  15.836      307.18      4.20966     307.18      
1 1 1 16 16 5  o 65.4747 3.02283 7.58176      0.898164  8.61803      1.1396    79.5635     162.505     24.1692     162.505     
1 1 1 16 16 6  o 15.2998 4.06901 0.512954     0.44078   0.120474     0.464264  2.28162     166.22      13.026      346.22      
1 1 1 16 16 7  o 18.6105 4.36688 0.652056     0.521716  0.644962     0.462144  7.7288      245.436     13.1246     65.4362     
1 1 1 16 16 8  o 13.2356 4.01116 -0.164561    0.540431  0.136954     0.459221  8.60734     26.5479     38.0025     26.5479     
1 1 1 16 16 9  o 49.1887 3.60293 4.37355      0.964076  4.95068      0.824399  53.4335     220.876     6.91221     220.876     
1 1 1 16 16 10 o 42.211  3.49828 2.95849      0.775306  3.945        0.691368  34.7926     309.008     16.0635     129.008     
1 1 1 16 16 11 o 72.2113 2.63371 9.29343      0.981062  10.3346      0.981707  89.5668     198.099     29.8633     198.099     
1 1 1 16 16 12 o 22.396  4.24416 1.19897      0.51532   0.828368     0.498997  11.3814     331.952     19.0793     151.952     
1 1 1 16 16 13 o 32.5687 3.59036 1.81896      0.581277  2.35335      0.584129  31.5412     102.555     0.820305    282.555     
1 1 1 16 16 14 o 22.3514 4.26147 1.15372      0.520887  0.878424     0.493044  16.9532     24.869      6.74171     204.869     
1 1 1 16 16 15 o 22.6195 4.30155 0.841211     0.530308  1.24155      0.513887  18.4975     122.215     4.23204     302.215     
1 1 1 16 16 16 o 58.4564 3.06562 6.24708      0.884395  6.84098      0.960675  64.5295     349.756     9.3451      349.756     
1 1 1 16 16 17 o 44.5085 3.47545 4.1172       0.754197  3.60029      0.812183  45.4874     219.332     0.834466    219.332     
1 1 1 16 16 18 o 41.7236 3.79465 3.22602      0.801013  3.65048      0.798904  47.1964     129.721     10.5805     129.721     
1 1 1 16 16 19 o 19.9099 4.67675 0.907922     0.570959  0.655256     0.56362   12.3984     282.26      11.8582     102.26      
1 1 1 16 16 20 o 22.5634 4.54965 1.49966      0.59711   0.592367     0.583321  24.8645     98.794      14.1007     98.794      
1 1 1 16 16 21 f 39.4227 3.51662 3.37414      0.75092   2.77477      0.655454  36.9601     42.2512     0           0           
1 1 1 16 16 22 o 28.3959 4.17189 1.24135      0.580294  2.13151      0.612854  19.4009     192.754     16.7531     12.7541     
1 1 1 16 16 23 o 25.6282 4.46333 1.34351      0.601443  1.43667      0.577275  23.4831     174.345     1.42044     354.345     
1 1 1 16 16 24 o 25.963  4.43711 1.10885      0.611007  1.76381      0.588024  27.4644     30.1342     6.82766     30.1342     
1 1 1 16 16 25 o 25.1093 4.60206 1.16773      0.659175  1.53897      0.565074  24.7246     207.491     3.03545     207.491     
1 1 1 16 16 26 o 11.3751 3.65353 -0.0599972   0.496237  -0.3263      0.442729  2.41152     216.609     2.766       36.6093     
1 1 1 16 16 27 o 16.7887 3.84186 -0.534857    0.497232  1.17277      0.513503  5.60051     351.012     18.9669     171.012     
1 1 1 16 16 28 o 21.9458 4.44332 0.555499     0.576296  1.51074      0.567154  17.7814     289.064     4.48472     109.064     
1 1 1 16 16 29 o 11.5982 3.72202 -0.213303    0.508914  -0.117477    0.463514  3.312       169.246     1.64295     349.246     
1 1 1 16 16 30 o 23.7645 4.94272 1.51803      0.664775  1.10334      0.645286  11.6761     264.472     21.533      84.472      
1 1 1 16 16 31 o 33.3223 4.23286 2.24431      0.676328  2.61918      0.732667  35.9574     127.533     8.341       127.533     
1 1 1 16 16 32 o 14.1672 4.31496 -0.115605    0.596572  0.379747     0.579648  7.21932     301.7       8.74472     121.7       
1 1 1 16 16 33 o 11.6844 3.78825 -0.403505    0.600837  -0.0171913   0.461612  5.72166     182.063     2.28484     2.06292     
1 1 1 16 16 34 o 10.9644 3.43685 -1.33756     0.454019  0.398378     0.468672  3.12492     46.6021     9.79762     226.602     
1 1 1 16 16 35 o 21.5061 4.36076 0.225126     0.619786  1.91015      0.617024  13.8864     356.098     11.3284     176.098     
1 1 1 16 16 36 o 14.9209 4.23713 -0.287533    0.559355  0.857251     0.565744  9.88127     31.8416     1.85264     31.8416     
1 1 1 16 16 37 o 15.7404 4.43328 0.920357     0.597071  0.0209272    0.565564  8.51817     121.525     8.56624     301.525     
1 1 1 16 16 38 o 13.217  4.10025 0.184736     0.531354  0.189103     0.546501  6.18154     85.4937     6.75712     265.494     
1 1 1 16 16 39 o 11.6512 3.81472 -0.0519776   0.558138  -0.167601    0.532737  3.91692     324.864     1.2182      144.864     
1 1 1 16 16 40 o 7.09651 2.53111 -1.04218     0.457894  -1.12809     0.385335  4.84727     197.755     17.0564     197.755     
1 1 1 16 16 41 o 13.7084 4.20317 0.730123     0.605071  -0.359517    0.583984  5.40165     212.131     0.590801    32.1313     
1 1 1 16 16 42 o 16.7406 4.77207 0.524782     0.649648  0.984977     0.648469  11.3877     0.596209    0.811621    0.596208    
1 1 1 16 16 43 o 13.2552 4.22029 0.0386715    0.633173  0.357801     0.599377  3.77973     85.2675     0.00351913  85.2676     
1 1 1 16 16 44 o 14.9807 4.66463 0.717805     0.718827  0.373928     0.693518  6.92042     276.642     9.07328     96.6421     
1 1 1 16 16 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 17 0  o 6.16201 3.04378 -0.341748    0.357151  -0.341748    0.357151  4.74454     360         11.4441     360         
1 1 1 16 17 1  o 12.9611 3.71108 0.506386     0.482646  -0.511184    0.388028  1.15009     252.563     6.13523     72.5632     
1 1 1 16 17 2  o 38.4505 3.61544 2.65321      0.718858  3.0947       0.677169  50.893      173.547     27.9632     173.547     
1 1 1 16 17 3  o 32.9904 4.13996 1.89405      0.724977  2.43962      0.620831  38.984      322.067     15.6902     322.067     
1 1 1 16 17 4  o 16.2188 4.27808 0.336258     0.558808  0.46531      0.418375  0.657141    5.68731     0.0613439   185.687     
1 1 1 16 17 5  o 14.0954 4.04102 0.15689      0.513178  0.223262     0.409341  2.58723     353.761     3.50653     173.761     
1 1 1 16 17 6  o 12.651  3.72091 0.173232     0.406361  0.0115196    0.403927  0.913503    34.603      3.13612     214.603     
1 1 1 16 17 7  o 67.1897 2.65257 8.01345      0.912949  9.02369      0.925495  78.3937     152.529     18.408      152.529     
1 1 1 16 17 8  o 10.0443 3.2555  -0.260479    0.364564  -0.218063    0.400933  0.66719     214.636     4.80087     214.636     
1 1 1 16 17 9  o 25.8625 4.48019 1.45328      0.617892  1.28637      0.574199  5.68389     223.179     39.5336     43.179      
1 1 1 16 17 10 o 24.6347 4.3703  1.05231      0.610468  1.41582      0.516923  17.7531     269.235     11.136      89.2347     
1 1 1 16 17 11 o 74.0714 2.60454 10.3914      0.997956  10.324       0.995824  86.6697     63.0976     20.8023     63.0976     
1 1 1 16 17 12 o 12.4366 3.67108 0.212454     0.417691  -0.0489319   0.378808  2.55783     138.531     3.74748     318.531     
1 1 1 16 17 13 o 11.6757 3.53424 -0.219746    0.409379  0.161592     0.377806  1.76478     26.7569     10.4073     206.757     
1 1 1 16 17 14 o 12.2715 3.66668 0.114557     0.421297  0.0100663    0.380568  0.699293    353.844     17.7297     173.844     
1 1 1 16 17 15 o 36.0687 3.46554 2.73229      0.635735  2.37011      0.62437   45.522      352.592     20.201      352.592     
1 1 1 16 17 16 o 15.6348 4.12124 0.289731     0.470832  0.486088     0.434045  8.73315     155.868     8.23641     335.868     
1 1 1 16 17 17 o 18.9761 4.20894 0.853504     0.474918  0.585398     0.454009  17.4031     172.086     7.42086     172.086     
1 1 1 16 17 18 o 14.9174 4.03718 0.54006      0.46791   0.0847938    0.431474  7.40159     85.4613     9.31447     265.461     
1 1 1 16 17 19 o 17.9402 4.30363 0.744851     0.495257  0.505679     0.464654  9.41517     146.047     13.4204     326.047     
1 1 1 16 17 20 o 17.5515 4.01735 1.06658      0.499327  0.0178958    0.452904  11.0836     130.993     8.57269     310.993     
1 1 1 16 17 21 o 24.3544 4.73628 1.2553       0.564234  1.29264      0.671184  20.5524     259.683     4.45899     79.683      
1 1 1 16 17 22 o 21.6485 4.98789 0.868699     0.628609  1.13092      0.660596  22.4243     104.557     10.8459     104.557     
1 1 1 16 17 23 f 37.4906 4.25623 2.99944      0.797749  2.85055      0.800044  36.6314     249.54      0           0           
1 1 1 16 17 24 o 34.9385 4.05727 3.40526      0.789621  1.78415      0.622914  41.0556     176.735     14.9884     176.735     
1 1 1 16 17 25 o 42.4459 3.70726 2.89446      0.796999  4.49294      0.736748  39.9346     96.6125     3.68555     276.613     
1 1 1 16 17 26 o 15.3923 4.29027 0.0295709    0.551172  0.587208     0.506252  8.20718     187.102     8.91467     7.10246     
1 1 1 16 17 27 o 8.70131 2.95688 -0.171055    0.415799  -0.984956    0.36225   0.14297     44.376      4.71904     224.376     
1 1 1 16 17 28 o 23.4568 4.57716 1.26374      0.579007  1.21347      0.570447  10.8885     322.241     22.5693     142.241     
1 1 1 16 17 29 o 34.5437 3.90991 2.80491      0.691202  2.28825      0.659266  35.0143     331.61      3.67875     331.61      
1 1 1 16 17 30 f 17.5794 3.96064 -0.322337    0.523273  1.29496      0.524599  11.0408     72.3612     0           0           
1 1 1 16 17 31 o 15.7873 4.38008 0.175723     0.570309  0.676452     0.519791  13.1069     38.5976     2.74211     38.5976     
1 1 1 16 17 32 f 12.1115 3.92699 0.285522     0.634578  -0.717551    0.496233  27.7212     138.985     0           0           
1 1 1 16 17 33 o 14.1723 4.21251 0.551156     0.540357  -0.150125    0.568646  9.52048     176.114     0.597196    356.114     
1 1 1 16 17 34 o 23.1299 4.01292 0.0507502    0.609291  2.4143       0.623966  26.4294     339.299     14.0024     339.299     
1 1 1 16 17 35 o 15.3196 4.45125 0.55979      0.579708  0.354118     0.557946  10.1305     353.508     2.2122      353.508     
1 1 1 16 17 36 o 11.7474 3.65802 0.524554     0.516765  -0.944202    0.462513  2.53724     139.251     0.450631    319.251     
1 1 1 16 17 37 o 13.1857 4.07679 0.484946     0.568463  -0.174098    0.517647  6.56573     23.0032     0.11642     23.0033     
1 1 1 16 17 38 o 10.5456 3.52871 -0.346861    0.513742  -0.23628     0.510226  2.007       265.935     8.7257      85.935      
1 1 1 16 17 39 o 13.1262 4.09027 0.420039     0.560537  -0.0503029   0.540427  3.64843     267.014     0.0775518   87.0136     
1 1 1 16 17 40 f 14.3268 4.37559 0.5358       0.601759  0.23565      0.594013  12.9259     112.793     0           0           
1 1 1 16 17 41 o 12.8809 4.03369 -0.4414      0.573241  0.567341     0.569772  3.5239      107.019     0.76964     287.019     
1 1 1 16 17 42 o 9.84518 3.3732  -0.162996    0.545298  -0.920075    0.525015  1.03102     117.367     6.2439      297.367     
1 1 1 16 17 43 o 12.8618 3.9121  -1.30009     0.597663  0.878174     0.572808  4.26342     208.033     0.439591    208.033     
1 1 1 16 17 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 18 0  o 48.5869 3.55643 4.56894      0.871781  4.56894      0.871781  66.2041     9.58298e-06 31.3557     9.58298e-06 
1 1 1 16 18 1  o 25.2606 4.33694 1.6493       0.55547   0.962857     0.591211  21.2203     308.226     5.11456     128.226     
1 1 1 16 18 2  o 52.6894 3.15498 5.14707      0.875737  5.5086       0.827655  48.9268     0.47179     9.74691     180.472     
1 1 1 16 18 3  o 19.3782 4.18858 0.751904     0.469172  0.742819     0.450249  9.736       24.7832     15.66       204.783     
1 1 1 16 18 4  f 28.1456 3.66678 1.73452      0.52287   1.41753      0.506793  21.2983     121.609     0           0           
1 1 1 16 18 5  o 49.3228 2.98636 3.82979      0.74114   5.54982      0.749241  57.1011     16.2461     14.3235     16.2462     
1 1 1 16 18 6  o 34.0532 3.61017 2.25144      0.586454  2.31021      0.64768   44.3156     231.168     23.3972     231.168     
1 1 1 16 18 7  o 19.5038 3.79574 0.020954     0.447797  1.39537      0.498071  11.0623     349.457     13.6824     169.457     
1 1 1 16 18 8  o 16.8292 4.11227 0.701841     0.439373  0.289742     0.464111  12.124      19.2219     0.794998    199.222     
1 1 1 16 18 9  o 37.4975 3.56266 2.79499      0.609451  2.7157       0.729973  33.8854     143.635     7.42687     323.635     
1 1 1 16 18 10 o 45.4009 3.47761 3.93243      0.786327  4.09728      0.824458  38.0933     297.774     15.8905     117.774     
1 1 1 16 18 11 o 15.964  4.19771 0.556363     0.510918  0.287709     0.419975  8.77688     115.749     2.82291     115.749     
1 1 1 16 18 12 o 44.3605 3.12176 3.97989      0.719075  3.62108      0.697116  55.8927     352.56      23.1493     352.56      
1 1 1 16 18 13 o 26.9949 4.09466 1.27792      0.587497  1.69965      0.524879  14.1709     140.304     24.6594     320.304     
1 1 1 16 18 14 o 35.7785 4.22606 1.89786      0.794177  3.37407      0.635482  35.4568     5.45884     0.23588     5.45898     
1 1 1 16 18 15 o 21.4416 4.58548 1.08895      0.626415  0.832131     0.48017   12.413      234.708     15.3913     54.708      
1 1 1 16 18 16 o 37.1749 3.63527 2.58928      0.722648  2.91574      0.625038  34.4929     38.1479     4.719       218.148     
1 1 1 16 18 17 o 32.6738 3.62169 2.23861      0.608952  2.04452      0.577673  34.4514     279.561     5.34956     279.561     
1 1 1 16 18 18 o 25.1527 3.92882 0.539506     0.542919  2.14495      0.532059  24.0985     177.672     1.09076     177.672     
1 1 1 16 18 19 o 35.6738 3.54985 3.13412      0.631262  2.01545      0.618722  35.1164     300.894     0.308486    300.894     
1 1 1 16 18 20 o 43.1579 3.21637 3.86846      0.717974  3.47647      0.698606  54.1638     200.536     23.6746     200.536     
1 1 1 16 18 21 o 40.6052 3.46946 2.77041      0.708067  3.86535      0.698796  40.676      325.537     1.49112     325.537     
1 1 1 16 18 22 o 23.629  4.47043 1.04002      0.569515  1.37431      0.555819  21.4412     342.35      0.290043    162.35      
1 1 1 16 18 23 o 20.2764 4.43658 1.0211       0.543649  0.744973     0.487643  16.1886     100.423     10.7531     100.423     
1 1 1 16 18 24 o 21.8997 4.73582 1.08819      0.545642  1.0283       0.635135  20.912      224.802     3.28607     224.802     
1 1 1 16 18 25 o 27.97   4.97417 2.47421      0.791307  1.17365      0.698227  23.0962     285.286     6.68935     105.286     
1 1 1 16 18 26 o 31.6223 5.0254  1.99915      0.775426  2.61757      0.835984  23.2773     199.49      14.1243     19.4897     
1 1 1 16 18 27 o 18.4326 4.72837 0.938798     0.658512  0.544657     0.507839  9.34204     10.9368     14.5046     190.937     
1 1 1 16 18 28 o 15.3554 4.18794 0.802337     0.542297  -0.0753525   0.476968  11.772      210.596     0.0604496   30.5946     
1 1 1 16 18 29 o 43.2871 3.4659  3.26305      0.749001  4.62545      0.752229  42.6695     133.671     1.63137     133.671     
1 1 1 16 18 30 o 37.6231 3.79079 2.85178      0.724697  3.2978       0.704884  38.0616     254.98      4.17167     254.98      
1 1 1 16 18 31 o 17.9916 4.71592 0.696686     0.566618  0.810983     0.602436  14.5654     125.86      0.957457    305.86      
1 1 1 16 18 32 o 18.5846 4.84578 1.0257       0.65642   0.679188     0.578638  14.4624     196.141     2.24574     16.1405     
1 1 1 16 18 33 f 19.0509 4.55293 0.342677     0.6048    1.36636      0.584465  7.87777     43.555      0           0           
1 1 1 16 18 34 o 24.5351 5.23447 1.58713      0.718114  1.74607      0.725588  24.7681     43.9798     7.12442     43.9798     
1 1 1 16 18 35 o 12.9744 3.83511 -0.978815    0.50301   0.778221     0.540754  6.84734     41.8775     2.57662     221.878     
1 1 1 16 18 36 o 17.6258 4.74711 0.929532     0.607545  0.712814     0.599336  7.60023     25.3616     15.1038     205.362     
1 1 1 16 18 37 o 16.4217 4.30943 -0.169453    0.569057  1.25843      0.587177  12.2739     0.512903    1.55085     0.512902    
1 1 1 16 18 38 o 17.3595 4.62438 1.22809      0.620596  0.352944     0.582836  11.9802     357.379     2.21315     177.379     
1 1 1 16 18 39 o 24.2948 4.78845 2.17809      0.668599  1.16276      0.643025  24.4259     42.7734     9.21482     42.7734     
1 1 1 16 18 40 o 11.1748 3.71076 -0.475204    0.572635  0.0401315    0.540723  2.45311     113.238     3.77026     293.238     
1 1 1 16 18 41 f 13.9578 4.32018 0.732473     0.630442  -0.0863762   0.606627  2.75001     108.691     0           0           
1 1 1 16 18 42 o 11.1918 3.70361 0.166678     0.547587  -0.532533    0.552479  1.47792     146.407     0.443506    326.407     
1 1 1 16 18 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 19 0  o 9.38338 4.0435  0.160497     0.370174  0.160497     0.370174  0.14183     6.24222e-05 2.24773     180         
1 1 1 16 19 1  o 34.7538 3.66403 2.32159      0.658956  2.45185      0.618164  36.7555     44.1301     4.9141      44.1301     
1 1 1 16 19 2  o 23.6216 4.11521 0.815039     0.511526  1.47504      0.5116    20.9689     354.232     2.33244     174.232     
1 1 1 16 19 3  o 55.1875 2.93898 5.45129      0.805818  6.21432      0.863379  54.7311     85.8473     2.61583     265.847     
1 1 1 16 19 4  o 55.4529 2.76721 5.49843      0.788701  6.22453      0.78931   67.3151     288.658     22.4647     288.658     
1 1 1 16 19 5  o 36.4162 3.38054 1.86475      0.591347  3.42822      0.604638  32.744      150.715     7.10077     330.715     
1 1 1 16 19 6  o 41.2941 3.07284 3.7697       0.647539  2.845        0.637213  49.7752     335.388     17.4556     335.388     
1 1 1 16 19 7  o 45.4397 3.00437 3.2644       0.684387  4.75123      0.693071  49.5643     92.1675     7.94395     92.1675     
1 1 1 16 19 8  o 54.6621 2.82207 6.07857      0.817096  5.36109      0.770945  59.337      151.335     8.23207     151.335     
1 1 1 16 19 9  o 14.5046 3.89455 0.0842884    0.406856  0.508265     0.428289  5.22331     217.851     13.6753     37.851      
1 1 1 16 19 10 o 14.0897 3.88768 -0.0464897   0.464744  0.460024     0.406556  7.51706     114.159     1.66138     294.159     
1 1 1 16 19 11 o 17.6083 3.68893 1.23144      0.49216   -0.126542    0.388593  13.4434     130.56      2.87944     310.56      
1 1 1 16 19 12 o 38.9954 3.27906 3.39757      0.649997  2.59436      0.639055  41.6838     68.9253     6.28109     68.9253     
1 1 1 16 19 13 o 30.8441 3.51492 1.66244      0.542059  2.15509      0.536031  30.0675     232.471     0.322602    232.472     
1 1 1 16 19 14 o 22.1971 3.95234 1.24535      0.475074  0.807595     0.442997  20.396      80.7041     0.502808    80.704      
1 1 1 16 19 15 o 21.7635 3.91542 1.4148       0.47874   0.568169     0.450847  20.3696     150.552     1.72151     150.552     
1 1 1 16 19 16 o 43.9913 2.97972 4.19852      0.68075   3.36139      0.656606  48.1831     118.491     9.40062     118.491     
1 1 1 16 19 17 o 14.2722 3.43581 -0.482419    0.39967   0.790033     0.395053  4.81849     300.545     1.2668      300.545     
1 1 1 16 19 18 o 14.6306 4.00167 0.414052     0.43538   0.240269     0.432885  8.03146     287.237     0.766682    287.237     
1 1 1 16 19 19 o 23.4368 4.32024 1.49791      0.535969  0.859171     0.552805  19.8515     340.813     3.38419     160.813     
1 1 1 16 19 20 o 56.6476 3.08582 6.38912      0.860958  6.23719      0.933975  63.4432     68.391      14.8355     68.391      
1 1 1 16 19 21 o 39.1649 3.52777 3.41918      0.687812  2.80926      0.702143  43.4605     266.224     10.9772     266.224     
1 1 1 16 19 22 o 32.0818 3.68616 2.25583      0.609936  2.00564      0.574126  33.3364     66.2004     5.42109     66.2004     
1 1 1 16 19 23 o 14.8024 3.87799 0.731553     0.456807  -0.0986205   0.420794  9.37149     196.14      3.05757     196.14      
1 1 1 16 19 24 o 30.171  4.05467 2.58166      0.605607  1.3997       0.605323  26.2251     258.341     5.0627      78.3405     
1 1 1 16 19 25 o 20.3364 4.6246  0.746476     0.586816  1.11484      0.543582  16.1924     9.38051     3.94561     189.381     
1 1 1 16 19 26 o 16.085  4.3433  0.500687     0.506177  0.504265     0.501605  10.2324     191.134     6.82117     11.1341     
1 1 1 16 19 27 o 14.9987 4.31951 -0.294611    0.476933  0.88392      0.6534    11.5646     244.145     1.38367     244.145     
1 1 1 16 19 28 o 11.23   3.69987 -1.49057     0.523006  0.271657     0.599139  2.86981     206.03      0.196482    26.0302     
1 1 1 16 19 29 o 44.916  4.05507 5.5185       1.02863   3.59026      0.817029  48.3748     284.706     10.9806     284.706     
1 1 1 16 19 30 o 21.5801 4.60941 1.83249      0.654317  0.47609      0.591191  20.3075     246.858     3.37375     246.858     
1 1 1 16 19 31 o 38.2079 4.46356 2.3729       0.809685  4.68187      0.834872  41.106      267.985     10.8796     267.985     
1 1 1 16 19 32 o 14.7926 4.54722 0.0913621    0.725974  0.471112     0.605871  9.00131     124.491     3.15205     304.491     
1 1 1 16 19 33 o 20.2413 4.55639 0.267679     0.687058  1.69361      0.608191  19.7307     198.469     7.06348     198.469     
1 1 1 16 19 34 o 18.4223 4.46534 1.60133      0.644241  0.0404802    0.558544  15.9574     92.0587     2.53572     92.0587     
1 1 1 16 19 35 o 10.6035 3.54379 -0.356479    0.539226  -0.207493    0.490028  0.0272421   35.4015     14.7944     35.4017     
1 1 1 16 19 36 o 14.4927 4.3598  -0.103058    0.640125  0.726671     0.586831  7.89719     245.979     2.23882     65.979      
1 1 1 16 19 37 o 15.3755 4.5305  0.259564     0.635467  0.781208     0.600691  5.80799     250.36      1.37029     250.36      
1 1 1 16 19 38 o 11.7219 3.80706 0.369693     0.579982  -0.577799    0.50364   3.13865     244.889     4.42793     64.889      
1 1 1 16 19 39 o 11.676  3.92883 0.0302408    0.628806  -0.679148    0.711145  2.25452     197.663     1.26338     17.6631     
1 1 1 16 19 40 o 15.7535 4.74697 0.210655     0.86416   0.930179     0.6321    9.26743     222.711     5.10835     42.7111     
1 1 1 16 19 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 20 0  o 37.9252 3.37487 2.83175      0.634982  2.83175      0.634982  38.7795     1.3112e-05  0.213791    1.3112e-05  
1 1 1 16 20 1  o 26.6859 3.78877 1.27072      0.507954  1.62691      0.503135  25.607      239.241     0.556313    239.241     
1 1 1 16 20 2  o 10.6335 3.29278 -0.0906435   0.348939  -0.00109486  0.34487   1.59113     351.85      7.27565     171.85      
1 1 1 16 20 3  o 14.7846 3.88697 0.489479     0.415501  0.217349     0.390604  6.20946     320.692     12.0027     140.692     
1 1 1 16 20 4  o 15.343  3.85412 0.634377     0.404963  0.14322      0.407001  10.238      251.259     0.55523     71.2589     
1 1 1 16 20 5  o 41.7497 3.15444 3.43844      0.680345  3.36525      0.66386   43.8897     45.0343     5.00365     45.0343     
1 1 1 16 20 6  o 19.7325 4.07407 0.677068     0.457505  0.91845      0.436611  17.7424     300.292     1.7474      300.292     
1 1 1 16 20 7  o 43.9278 3.04168 3.47908      0.687844  4.03593      0.674455  43.7789     245.636     0.214314    245.637     
1 1 1 16 20 8  o 22.6992 3.93311 1.07451      0.465594  1.05702      0.452616  24.2507     260.975     8.79169     260.975     
1 1 1 16 20 9  o 24.5645 3.76393 1.43481      0.473103  1.04797      0.45998   25.6233     236.775     6.25803     236.775     
1 1 1 16 20 10 o 21.9796 4.39568 1.03686      0.553444  1.00312      0.493421  15.3982     261.98      9.84313     81.9797     
1 1 1 16 20 11 o 40.2834 3.3221  3.04321      0.686181  3.37571      0.672008  40.9961     122.954     2.72743     122.954     
1 1 1 16 20 12 o 35.0233 3.2305  2.90985      0.572225  1.98273      0.555204  31.0263     318.065     6.43931     138.065     
1 1 1 16 20 13 o 17.0141 3.7831  0.301814     0.400325  0.819997     0.388227  12.039      106.918     4.22886     286.918     
1 1 1 16 20 14 o 51.7916 2.74679 5.02468      0.720087  5.35464      0.74401   55.5881     15.7764     8.60601     15.7764     
1 1 1 16 20 15 o 23.5637 3.80373 1.2496       0.459522  1.06346      0.450093  24.5671     110.988     6.99295     110.988     
1 1 1 16 20 16 o 12.2559 3.43114 0.398579     0.36209   -0.10578     0.32512   5.72849     238.657     32.7623     238.657     
1 1 1 16 20 17 o 19.841  3.85945 0.428745     0.446218  1.20099      0.434523  16.2071     99.508      2.61571     279.508     
1 1 1 16 20 18 o 27.291  3.71197 1.55147      0.516127  1.5392       0.49589   31.9957     108.388     14.0661     108.388     
1 1 1 16 20 19 o 26.4008 3.72093 1.45126      0.50927   1.46263      0.473018  17.342      273.393     15.5568     93.3933     
1 1 1 16 20 20 o 19.4428 4.07086 0.901731     0.45311   0.729261     0.427396  15.6189     117.55      3.11428     297.55      
1 1 1 16 20 21 o 14.8772 3.93459 0.19996      0.437705  0.554118     0.407139  10.9763     72.2116     1.21796     72.2116     
1 1 1 16 20 22 o 46.4298 2.99595 4.23816      0.716852  4.39645      0.708876  46.2804     315.193     2.2609      315.193     
1 1 1 16 20 23 o 24.2011 4.10749 1.52865      0.523697  1.07711      0.500659  22.07       118.497     0.413801    298.497     
1 1 1 16 20 24 o 23.3799 4.25296 1.44092      0.53529   1.04766      0.508325  25.6037     139.856     9.71976     139.856     
1 1 1 16 20 25 o 18.4048 4.49069 0.649935     0.553637  0.883341     0.501825  12.26       110.56      8.07699     290.56      
1 1 1 16 20 26 o 19.0591 4.30668 0.442967     0.515052  1.20264      0.515149  15.9402     116.335     1.18262     296.335     
1 1 1 16 20 27 o 16.111  4.27139 0.386577     0.505972  0.693108     0.477859  7.86013     207.651     11.849      27.6508     
1 1 1 16 20 28 o 14.0549 4.06386 0.485452     0.496121  0.157215     0.452896  4.58758     66.9282     1.6071      66.9282     
1 1 1 16 20 29 f 16.9142 4.1857  0.0825206    0.527452  1.08196      0.506288  10.6002     249.474     0           0           
1 1 1 16 20 30 o 13.63   4.34201 -0.0679335   0.66014   0.234117     0.641665  7.31386     335.2       1.44326     155.2       
1 1 1 16 20 31 o 25.5556 6.21843 1.90173      1.0236    2.48388      1.00119   24.7646     145.517     5.5042      145.517     
1 1 1 16 20 32 o 15.6669 4.38622 1.05853      0.626885  -0.0136434   0.500944  5.95449     230.72      3.10731     230.72      
1 1 1 16 20 33 o 12.8421 3.93089 -0.204836    0.510104  0.477337     0.502911  5.62802     240.642     5.8797      60.6423     
1 1 1 16 20 34 o 11.8083 3.77734 0.0258601    0.513468  0.0283096    0.476864  3.41151     325.223     3.16313     145.223     
1 1 1 16 20 35 o 16.0787 4.56179 0.742315     0.583852  0.569896     0.578159  9.80242     253.064     1.06434     253.064     
1 1 1 16 20 36 o 14.4184 4.32537 0.468799     0.573866  0.378914     0.549266  5.63274     322.283     9.74975     142.283     
1 1 1 16 20 37 o 12.502  3.95357 -0.501574    0.562291  0.519321     0.561496  4.7053      151.501     3.26423     331.501     
1 1 1 16 20 38 o 15.4217 4.57752 0.759882     0.62125   0.474021     0.62464   5.95719     32.4197     12.47       212.42      
1 1 1 16 20 39 o 13.9312 4.33183 0.208041     0.594393  0.529694     0.620621  7.63478     38.9386     1.05067     38.9386     
1 1 1 16 20 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 21 0  o 69.8223 2.82301 9.23888      1.01403   9.23888      1.01403   88.4669     180         36.0363     180         
1 1 1 16 21 1  o 43.943  3.25019 3.35421      0.712763  4.27572      0.738826  45.4885     208.82      4.36467     208.82      
1 1 1 16 21 2  o 70.4573 2.83509 9.25557      1.0169    9.90643      1.04527   84.663      97.5328     28.6364     97.5328     
1 1 1 16 21 3  o 31.2582 3.80358 1.78387      0.603519  2.20896      0.577836  30.5223     181.246     1.04555     181.246     
1 1 1 16 21 4  o 17.3313 4.07964 0.391126     0.434881  0.78248      0.445011  13.2136     84.7915     5.44209     84.7915     
1 1 1 16 21 5  o 56.1036 3.01965 5.83436      0.824745  6.43951      0.918803  58.5834     339.522     5.69188     339.522     
1 1 1 16 21 6  o 36.5375 3.3344  3.27161      0.600721  2.09371      0.601025  42.8518     104.988     15.233      104.988     
1 1 1 16 21 7  o 23.45   4.0167  0.972451     0.485197  1.33941      0.48697   14.6505     326.552     14.7598     146.552     
1 1 1 16 21 8  o 18.3834 3.86706 0.562996     0.406889  0.825205     0.395308  11.3059     250.27      9.9422      70.2702     
1 1 1 16 21 9  o 23.3858 3.62521 1.12385      0.430013  1.12854      0.424612  25.366      60.9569     9.55587     60.9569     
1 1 1 16 21 10 o 21.5432 3.96551 0.938145     0.436724  1.01505      0.457581  12.1355     217.498     15.6688     37.4985     
1 1 1 16 21 11 o 32.9837 3.61956 2.62887      0.609098  1.82958      0.578061  33.9023     41.9642     4.65435     41.9642     
1 1 1 16 21 12 o 20.9913 3.66845 1.26759      0.439299  0.599595     0.375485  20.0697     101.726     3.44458     101.726     
1 1 1 16 21 13 f 24.1129 3.95716 1.28893      0.438561  1.16125      0.533854  29.278      230.226     0           0           
1 1 1 16 21 14 o 14.2163 3.36165 0.649616     0.316331  -0.0671208   0.371004  8.59913     88.1516     4.28543     268.152     
1 1 1 16 21 15 o 13.8021 3.57072 -0.113071    0.396197  0.588964     0.361281  7.63246     232.742     5.59808     52.7419     
1 1 1 16 21 16 o 28.4389 3.80332 2.24314      0.502844  1.20698      0.558031  19.9726     199.334     14.3057     19.3343     
1 1 1 16 21 17 o 8.45186 2.68659 -0.178958    0.249594  -0.0204584   0.247451  4.6325      81.3652     21.4943     81.3652     
1 1 1 16 21 18 o 18.6489 3.70173 0.985555     0.397645  0.503055     0.369587  7.2475      333.206     19.7281     153.206     
1 1 1 16 21 19 o 19.7203 3.70234 0.580478     0.406328  1.0899       0.39061   18.4356     211.315     2.42861     211.315     
1 1 1 16 21 20 o 20.2712 3.80673 0.737233     0.421046  1.05188      0.403296  13.5177     32.8484     9.93281     212.848     
1 1 1 16 21 21 o 12.0536 3.42241 0.00686623   0.361617  0.318664     0.318211  5.86839     161.027     5.71281     341.027     
1 1 1 16 21 22 o 13.2025 3.61805 0.0948594    0.382921  0.436527     0.352514  8.75968     13.8619     0.941488    193.862     
1 1 1 16 21 23 o 11.0286 3.2556  -0.26466     0.35561   0.301358     0.323595  3.56563     192.718     0.55084     12.7178     
1 1 1 16 21 24 o 18.4568 4.1694  0.763318     0.463263  0.804851     0.438526  15.7566     200.739     0.384647    200.739     
1 1 1 16 21 25 o 17.3977 4.31629 0.804625     0.502451  0.592963     0.463237  11.4992     94.2849     6.4128      274.285     
1 1 1 16 21 26 f 17.2954 4.28317 0.53805      0.497497  0.842334     0.470003  16.2775     145.238     0           0           
1 1 1 16 21 27 o 10.9354 3.44216 -0.116232    0.4138    0.0821457    0.380876  1.70911     337.752     11.3738     157.752     
1 1 1 16 21 28 o 15.6279 4.24111 0.439757     0.502768  0.633822     0.471456  8.17612     154.971     8.99662     334.971     
1 1 1 16 21 29 o 20.781  4.69312 1.17721      0.587248  1.09586      0.553835  11.896      341.848     12.7959     161.848     
1 1 1 16 21 30 o 17.5127 4.51408 1.12044      0.576384  0.418453     0.535174  13.8707     228.369     7.31928     228.369     
1 1 1 16 21 31 o 12.588  3.9713  0.135121     0.563567  0.108075     0.488936  3.73724     219.18      0.339045    39.1798     
1 1 1 16 21 32 o 19.9956 4.76898 0.721136     0.662528  1.47235      0.598556  14.3043     203.889     4.43856     23.889      
1 1 1 16 21 33 o 14.4236 4.55069 0.616611     0.706199  -0.0514935   0.708336  6.84308     163.381     2.65515     343.381     
1 1 1 16 21 34 o 9.54068 3.31181 -0.342193    0.63026   -0.641163    0.386134  0.270533    286.501     3.96285     106.501     
1 1 1 16 21 35 o 6.7086  3.31441 -1.88065     0.369455  -0.550358    0.297475  3.44951     96.9522     11.022      96.9522     
1 1 1 16 21 36 o 9.95475 3.36082 -0.137555    0.513733  -0.473796    0.447935  0.750733    278.447     9.52118     98.4468     
1 1 1 16 21 37 o 10.3326 3.46269 -0.348935    0.48647   -0.142635    0.506009  2.40484     56.7688     4.90329     236.769     
1 1 1 16 21 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 22 0  o 7.6468  3.53456 -0.0175029   0.345005  -0.0175029   0.345005  1.17489     180         6.33065     180         
1 1 1 16 22 1  o 14.934  3.40604 -0.311701    0.377008  0.872332     0.391318  9.06109     301.229     5.31515     121.229     
1 1 1 16 22 2  o 20.5618 3.80067 0.349054     0.45346   1.40316      0.455919  21.4625     28.2522     10.4836     28.2522     
1 1 1 16 22 3  o 18.0179 4.1161  0.737825     0.444943  0.60161      0.433077  10.6325     288.063     10.3904     108.063     
1 1 1 16 22 4  o 37.7646 3.48588 2.76002      0.688903  2.99628      0.637166  49.3016     349.468     26.9021     349.468     
1 1 1 16 22 5  o 30.0253 3.89418 1.42004      0.574069  2.37884      0.58186   29.8359     300.121     2.9285      300.121     
1 1 1 16 22 6  o 44.5964 2.91829 4.2271       0.671142  3.59079      0.659567  42.0768     349.972     2.99762     169.972     
1 1 1 16 22 7  o 7.3609  2.39422 -0.0452893   0.242455  -0.192542    0.165992  1.30928     248.84      6.45451     248.84      
1 1 1 16 22 8  o 10.0918 2.98689 -0.113346    0.255716  0.190179     0.285085  0.0133335   315.33      13.7367     135.333     
1 1 1 16 22 9  o 18.225  4.97347 0.548579     0.6547    0.713214     0.678136  15.9272     164.219     5.42776     164.219     
1 1 1 16 22 10 o 33.2423 5.07829 2.68348      0.838156  2.34312      0.861548  37.6796     159.495     13.0085     159.495     
1 1 1 16 22 11 o 18.7735 5.63695 0.0998993    0.957997  0.871322     0.985819  13.5373     232.585     7.58067     232.585     
1 1 1 16 22 12 o 16.6946 4.96758 -0.301833    0.939689  0.647936     0.655669  12.8584     228.501     0.0702919   228.501     
1 1 1 16 22 13 o 17.1388 4.90871 0.502022     0.680915  0.493273     0.674722  12.8671     105.786     2.25687     285.786     
1 1 1 16 22 14 o 15.4653 4.56861 0.573797     0.622044  -0.0898761   0.65002   9.43474     8.59891     6.3162      188.599     
1 1 1 16 22 15 o 30.7762 5.28517 2.36008      0.820285  2.17904      0.850714  28.6512     47.2339     0.419376    227.234     
1 1 1 16 22 16 o 25.065  5.42    1.73876      0.761359  1.38042      0.791969  24.3742     98.4551     3.53327     98.4551     
1 1 1 16 22 17 o 33.5439 5.0392  2.88454      0.848878  2.4525       0.850318  42.5159     120.421     23.3055     120.421     
1 1 1 16 22 18 o 27.7427 5.28333 1.33911      0.78462   2.56749      0.829987  29.1893     116.874     7.77193     116.874     
1 1 1 16 22 19 o 12.3892 4.04709 -0.092794    0.588631  -0.358601    0.637298  6.78442     167.456     2.15302     347.456     
1 1 1 16 22 20 o 13.2754 4.1992  0.344678     0.609162  -0.575613    0.643201  7.55735     309.391     3.90742     129.391     
1 1 1 16 22 21 o 16.0763 4.73964 0.769418     0.681266  0.0301423    0.681445  11.8608     283.615     0.926036    103.615     
1 1 1 16 22 22 o 20.9193 4.79756 2.08394      0.770778  -0.152873    0.717433  19.722      182.822     4.28335     182.822     
1 1 1 16 22 23 o 18.3988 4.91177 0.597186     0.480641  1.15066      0.795393  15.8893     85.8247     3.9535      85.8247     
1 1 1 16 22 24 o 18.9543 4.62897 0.370501     0.367268  1.62039      0.755453  16.4363     205.988     2.78266     205.988     
1 1 1 16 22 25 o 16.9806 4.15833 0.815141     0.430267  0.519589     0.488767  11.2803     131.821     5.21016     311.821     
1 1 1 16 22 26 o 19.5833 4.14639 0.712641     0.467858  1.15468      0.463951  17.0153     146.403     1.49785     146.403     
1 1 1 16 22 27 o 11.1442 3.39102 -0.058105    0.372937  0.220423     0.351315  3.65212     220.841     2.47593     40.8412     
1 1 1 16 22 28 o 9.91654 3.18964 0.0183803    0.383375  -0.164257    0.333029  1.19715     295.372     1.98837     115.372     
1 1 1 16 22 29 o 32.0509 4.00107 2.13756      0.639104  2.76716      0.633861  41.8746     148.931     29.3216     148.931     
1 1 1 16 22 30 o 20.989  4.62813 1.1701       0.565274  1.21772      0.551368  16.5493     37.9539     1.51661     217.954     
1 1 1 16 22 31 o 30.2067 4.57494 1.49707      0.733055  3.41978      0.712073  35.1602     162.979     19.4551     162.979     
1 1 1 16 22 32 o 14.7027 4.10089 -0.00624819  0.50216   0.842345     0.505445  8.11708     301.873     1.60425     121.873     
1 1 1 16 22 33 o 12.8795 3.86281 0.618904     0.498408  -0.22709     0.460586  4.77518     40.5412     1.05468     220.541     
1 1 1 16 22 34 o 12.9179 3.95791 0.550214     0.522974  -0.0938997   0.48872   5.34206     282.597     0.687784    102.597     
1 1 1 16 22 35 o 11.0981 3.74174 -0.285314    0.489565  -0.157636    0.681313  3.10719     158.172     6.89174     338.172     
1 1 1 16 22 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 23 0  o 10.1059 4.21624 0.252199     0.377683  0.252199     0.377683  7.74135     2.23117e-05 34.8123     2.23117e-05 
1 1 1 16 23 1  o 21.4071 3.82266 1.55547      0.475626  0.423616     0.457422  12.9579     226.443     13.5681     46.4432     
1 1 1 16 23 2  o 40.4098 3.10615 3.1484       0.63756   3.40164      0.641981  38.663      122.746     0.693605    302.746     
1 1 1 16 23 3  o 18.2824 3.99297 0.611119     0.430213  0.811162     0.41058   9.08004     43.3548     14.7547     223.355     
1 1 1 16 23 4  o 22.318  3.83252 0.946947     0.450627  1.1882       0.431052  23.9918     78.0921     8.93843     78.0921     
1 1 1 16 23 5  o 10.7943 3.13875 0.323927     0.279409  -1.42919     0.559571  2.84911     25.3055     8.9957      205.306     
1 1 1 16 23 6  o 27.6968 5.75613 1.93312      0.86667   1.89388      0.896085  25.5019     59.7532     0.000431521 240.035     
1 1 1 16 23 7  o 25.9148 5.34983 1.60524      0.744468  1.64343      0.782174  17.9673     25.1134     12.2559     205.113     
1 1 1 16 23 8  o 12.3243 3.82978 -0.768771    0.456081  0.433131     0.561919  6.01447     310.383     1.43547     130.383     
1 1 1 16 23 9  o 12.1342 3.90448 -0.348009    0.504567  0.0277887    0.574319  5.8064      59.9178     2.7467      239.918     
1 1 1 16 23 10 o 14.6674 4.32589 0.62342      0.592735  -0.322423    0.58375   10.3047     353.867     2.07746     353.867     
1 1 1 16 23 11 o 14.7558 4.52531 0.533325     0.6135    -0.814689    0.844433  9.9592      56.223      2.30886     236.223     
1 1 1 16 23 12 o 27.3926 6.23792 1.53104      1.06444   2.61347      1.03246   15.5362     87.3766     19.9689     267.377     
1 1 1 16 23 13 o 26.0892 5.184   1.12118      0.746722  2.29112      0.783803  31.3829     190.536     17.5316     190.536     
1 1 1 16 23 14 o 15.3105 4.63213 0.364768     0.637244  0.220358     0.674322  4.96861     106.914     16.5585     286.914     
1 1 1 16 23 15 o 18.6625 5.04871 0.507849     0.699643  1.05634      0.696545  12.4091     253.061     7.68233     73.0605     
1 1 1 16 23 16 o 18.9863 5.15886 0.986715     0.712846  0.705616     0.724889  16.5552     6.24109     1.84237     6.24109     
1 1 1 16 23 17 o 42.0034 4.9344  5.20751      1.02464   3.33017      1.00892   42.3387     265.505     5.40332     265.505     
1 1 1 16 23 18 o 18.5298 5.14797 0.422869     0.728874  1.16377      0.76091   16.1797     308.674     3.77952     308.674     
1 1 1 16 23 19 o 24.2458 5.48146 1.99081      0.800215  1.24377      0.801179  20.9484     312.306     0.799568    132.306     
1 1 1 16 23 20 o 14.3907 4.5247  0.0836742    0.660719  0.271925     0.695215  4.66387     341.281     13.6523     161.281     
1 1 1 16 23 21 o 20.7602 5.26382 1.62435      0.753814  0.681285     0.776412  20.074      199.884     8.63398     199.884     
1 1 1 16 23 22 o 19.232  5.30773 0.671016     0.743186  1.35218      0.810686  14.7539     358.166     1.91641     178.166     
1 1 1 16 23 23 o 9.87717 3.42701 -0.961632    0.549341  -0.624563    0.631586  0.587018    209.166     0.998125    29.1659     
1 1 1 16 23 24 f 23.3655 5.7629  1.46635      0.828077  1.97628      0.894975  23.9417     262.008     0           0           
1 1 1 16 23 25 f 16.7428 5.05644 1.39618      0.864585  -0.706874    0.923179  10.6645     144.867     0           0           
1 1 1 16 23 26 o 15.0599 4.64868 0.966748     0.72556   -0.942558    0.885734  3.83506     222.586     1.42945     222.586     
1 1 1 16 23 27 o 11.2692 3.82713 -0.0373258   0.655346  -1.14043     0.682796  0.619894    70.3923     0.582317    250.392     
1 1 1 16 23 28 o 15.6033 4.86095 0.789473     0.767331  0.15711      0.79711   8.30755     106.284     4.77592     286.284     
1 1 1 16 23 29 o 29.4505 5.01976 2.37065      0.596146  2.46533      0.945737  32.7925     282.818     16.0818     282.818     
1 1 1 16 23 30 o 13.5809 3.81784 0.57444      0.428286  0.172898     0.395538  6.42969     240.18      3.15764     60.1799     
1 1 1 16 23 31 o 14.8163 4.11059 0.0627941    0.54304   0.816575     0.476249  7.78272     325.241     5.87078     145.241     
1 1 1 16 23 32 o 22.9671 4.6901  1.71143      0.627162  1.29844      0.555018  22.3721     315.684     7.48289     315.684     
1 1 1 16 23 33 o 20.6775 4.65277 0.929327     0.590501  1.54436      0.577823  18.9878     333.828     5.19741     333.828     
1 1 1 16 23 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 24 0  o 22.4426 4.6635  1.2145       0.47138   1.2145       0.47138   23.8568     180         4.03029     180         
1 1 1 16 24 1  o 12.276  3.50666 0.167516     0.354154  0.233399     0.337218  6.3885      223.581     4.66341     43.5807     
1 1 1 16 24 2  o 29.6147 3.49186 1.98019      0.523273  1.72229      0.510121  26.1272     75.8838     3.38504     255.884     
1 1 1 16 24 3  o 20.8319 4.46933 1.32839      0.493704  0.55724      0.68156   18.2624     229.627     0.235599    49.6268     
1 1 1 16 24 4  f 31.719  5.16511 2.49871      0.823523  2.38653      0.840248  32.7605     95.0243     0           0           
1 1 1 16 24 5  o 16.5502 4.73378 0.557303     0.604568  0.451508     0.658651  7.72005     227.172     13.2933     47.1716     
1 1 1 16 24 6  o 16.6717 4.68673 -0.129982    0.645868  0.990591     0.672593  14.0099     53.9889     2.09502     53.9889     
1 1 1 16 24 7  o 34.9209 5.3294  2.43461      0.866319  3.65289      1.01516   40.032      214.054     15.2368     214.054     
1 1 1 16 24 8  o 19.5384 5.00127 0.370236     0.667424  1.38321      0.717998  12.1104     16.6962     10.4048     196.696     
1 1 1 16 24 9  o 11.6934 3.84192 -0.391448    0.529075  -0.118127    0.590032  3.18852     323.393     0.0240319   143.393     
1 1 1 16 24 10 o 13.1955 4.20046 -0.114949    0.56528   0.0931989    0.639664  7.2842      264.989     0.365406    264.989     
1 1 1 16 24 11 o 36.7342 5.01015 3.05647      0.913132  3.48925      0.925075  43.0311     197.791     18.0634     197.791     
1 1 1 16 24 12 o 15.9416 5.0673  -0.805796    0.909132  0.83311      0.941645  7.88333     232.513     10.4702     52.5129     
1 1 1 16 24 13 o 37.4869 5.67931 4.43002      1.21866   3.03444      0.928042  41.2065     238.264     13.1984     238.264     
1 1 1 16 24 14 o 24.3738 5.51522 1.70893      0.785552  1.54829      0.792361  26.7869     168.814     13.6119     168.814     
1 1 1 16 24 15 o 14.6407 4.4485  0.610111     0.627914  -0.207192    0.651054  6.04043     38.2564     1.92257     38.2564     
1 1 1 16 24 16 o 20.602  5.24709 1.57444      0.752165  0.656462     0.762188  18.1087     352.188     2.6314      352.188     
1 1 1 16 24 17 o 15.0531 4.6066  0.727073     0.693203  -0.29919     0.710477  6.50209     130.586     10.9014     310.586     
1 1 1 16 24 18 o 17.3281 4.55182 -0.707025    0.642959  1.5975       0.728897  13.9315     295.544     5.63088     295.544     
1 1 1 16 24 19 o 19.9059 5.16492 1.65074      0.757413  0.405232     0.784335  18.1936     175.006     5.44487     175.006     
1 1 1 16 24 20 o 23.2245 5.55021 1.04757      0.814615  2.19492      0.857382  16.5882     246.2       7.40809     66.1997     
1 1 1 16 24 21 o 27.9529 5.30654 1.23211      0.825985  3.37171      0.908751  19.9624     9.60542     10.4094     189.605     
1 1 1 16 24 22 o 17.2894 4.99106 1.30123      0.764416  0.0378087    0.776403  13.1733     313.711     1.02455     313.711     
1 1 1 16 24 23 o 21.6928 5.49977 0.893876     0.804112  2.06585      0.854814  19.9111     359.062     5.50228     359.062     
1 1 1 16 24 24 o 14.4566 4.71196 -0.105782    0.830819  0.39789      0.82084   7.22249     186.312     3.6576      6.3116      
1 1 1 16 24 25 o 17.9063 5.48547 1.54682      0.959928  0.0593318    1.08779   5.7637      196.797     2.8293      196.797     
1 1 1 16 24 26 o 26.0355 6.09876 1.93032      1.01882   2.83626      0.975547  17.0572     148.139     10.7846     328.139     
1 1 1 16 24 27 o 14.4683 4.65214 -0.336847    0.808986  0.683663     0.778858  6.83072     86.8455     5.25968     266.845     
1 1 1 16 24 28 o 20.9312 5.73159 1.86097      0.897023  1.29457      0.904271  13.7903     214.333     8.93201     214.333     
1 1 1 16 24 29 o 10.7027 3.6999  -0.633112    0.664929  -0.649169    0.697049  1.37856     224.242     1.61852     44.2423     
1 1 1 16 24 30 o 14.5954 4.88554 -0.193052    0.729651  0.926283     1.1446    7.63712     79.4303     1.21159     79.4303     
1 1 1 16 24 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 24 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 25 0  o 7.55009 3.40442 0.0595422    0.294846  0.0595422    0.294846  6.39509     8.6483e-06  24.6035     8.6483e-06  
1 1 1 16 25 1  o 22.0059 4.63445 1.00004      0.484881  1.38039      0.652236  16.4258     276.616     6.11371     96.6155     
1 1 1 16 25 2  o 29.4672 5.08807 1.83971      0.751259  2.54143      0.799657  30.529      149.871     7.8887      149.871     
1 1 1 16 25 3  o 21.7689 4.88888 0.540281     0.643859  1.83564      0.710891  20.3877     117.792     3.79868     117.792     
1 1 1 16 25 4  o 23.1239 5.27437 1.31036      0.69344   1.51534      0.745746  21.2533     81.781      2.57614     81.781      
1 1 1 16 25 5  o 18.5825 4.43584 -0.55222     0.596678  1.76733      0.712621  17.0087     18.9244     5.76121     18.9244     
1 1 1 16 25 6  o 15.2718 4.55481 -0.120022    0.626321  0.732577     0.662672  7.1709      8.64948     10.2317     188.649     
1 1 1 16 25 7  o 20.4342 4.99316 -0.0140942   0.715997  1.96439      0.802922  19.7594     17.8391     7.9044      17.8391     
1 1 1 16 25 8  o 10.0181 3.40225 -0.250363    0.45908   -1.0764      0.620102  0.640526    295.734     1.13748     115.734     
1 1 1 16 25 9  o 18.6424 5.06764 1.27267      0.723175  0.348325     0.742574  15.8251     186.376     3.8679      186.376     
1 1 1 16 25 10 o 11.1955 3.75865 -0.420295    0.572071  -0.38558     0.606439  2.9377      32.7717     3.1987      212.772     
1 1 1 16 25 11 o 25.7288 5.08576 2.89789      0.842247  0.677973     0.815772  27.6888     39.6585     11.5441     39.6585     
1 1 1 16 25 12 o 38.8798 5.7803  5.16779      1.03071   3.27768      1.24337   42.238      182.776     13.4121     182.776     
1 1 1 16 25 13 o 16.8598 5.36637 0.503579     1.03478   0.495843     0.937042  12.3005     343.343     2.34387     343.343     
1 1 1 16 25 14 o 13.1866 4.25754 -0.352976    0.635917  0.278137     0.675421  5.3558      157.016     8.23887     337.016     
1 1 1 16 25 15 o 15.129  4.69732 0.312983     0.690282  0.387464     0.726641  4.78088     260.739     15.1231     80.7387     
1 1 1 16 25 16 o 13.0542 4.25505 0.153372     0.651063  -0.317949    0.706     5.6316      78.6415     0.0924031   258.642     
1 1 1 16 25 17 o 13.018  4.16428 0.576187     0.664546  -0.95844     0.644513  6.49751     39.7625     1.84804     219.762     
1 1 1 16 25 18 o 14.4801 4.56183 -0.29059     0.699081  0.681363     0.734451  7.55705     20.9192     5.72093     200.919     
1 1 1 16 25 19 o 17.8754 4.95125 1.57419      0.769635  -0.175974    0.78026   14.1267     234.347     3.85239     234.347     
1 1 1 16 25 20 o 19.5412 5.40854 1.40524      0.799913  0.930458     0.816721  15.6537     11.4108     1.73718     11.4108     
1 1 1 16 25 21 o 20.7386 5.66995 1.55435      0.854806  1.30565      0.888249  17.5        356.334     4.09126     356.334     
1 1 1 16 25 22 o 15.8641 4.94773 -0.378889    0.805297  1.19949      0.877695  7.38775     185.32      1.27079     185.32      
1 1 1 16 25 23 o 14.9145 4.77031 -0.337356    0.769734  0.858361     0.850783  5.51525     305.961     0.682586    305.961     
1 1 1 16 25 24 o 16.5396 5.12477 0.368373     0.856416  1.00166      0.85048   10.4248     263.59      1.45089     83.5899     
1 1 1 16 25 25 o 13.5524 4.54868 -0.295511    0.768491  0.229436     0.935103  5.89665     269.107     4.53553     89.1071     
1 1 1 16 25 26 o 18.6963 5.33708 1.69646      0.849735  0.601306     0.829632  15.1462     240.377     4.91698     240.377     
1 1 1 16 25 27 o 17.5924 5.17067 1.41671      0.808021  0.47409      0.820033  12.1365     246.942     2.387       66.9418     
1 1 1 16 25 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 25 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 26 0  o 11.36   5.60738 -0.435358    1.20611   -0.435358    1.20611   3.87098     180         3.55299     3.4611e-05  
1 1 1 16 26 1  f 12.8261 3.90622 0.0242604    0.508518  0.284139     0.448733  7.83129     201.558     0           0           
1 1 1 16 26 2  f 27.9496 4.82016 1.24359      0.700981  2.87088      0.760912  24.7086     139.23      0           0           
1 1 1 16 26 3  o 11.1587 4.9936  -1.51361     0.254992  -0.00942482  0.419672  0.222471    263.1       14.3674     83.1        
1 1 1 16 26 4  o 15.4255 4.4575  -0.153147    0.578903  0.926558     0.638285  5.99036     257.392     2.6917      257.392     
1 1 1 16 26 5  o 27.0476 5.36663 1.7788       0.765433  2.27314      0.808147  15.9574     308.255     16.8746     128.255     
1 1 1 16 26 6  o 13.1821 4.13982 -0.612394    0.58137   0.548965     0.624862  4.42045     51.1346     0.517829    51.1346     
1 1 1 16 26 7  o 12.8268 4.15544 -0.0352764   0.57998   -0.028484    0.666293  3.09438     291.879     13.2985     111.879     
1 1 1 16 26 8  o 16.5863 4.94503 0.937883     0.739945  0.149826     0.773578  12.221      41.9196     3.67758     41.9196     
1 1 1 16 26 9  o 12.3407 4.06808 -0.0219988   0.605754  -0.369098    0.682916  2.4267      4.63722     0.0272374   184.637     
1 1 1 16 26 10 o 21.3354 5.05043 2.15918      0.785081  0.188075     0.811964  18.4038     337.092     1.16495     337.092     
1 1 1 16 26 11 o 9.9498  3.45966 -1.12858     0.506058  -0.353046    0.659781  1.70257     42.075      4.41906     222.075     
1 1 1 16 26 12 o 17.5942 5.10256 0.55892      0.727701  1.06103      0.773179  13.9094     282.1       3.52987     282.1       
1 1 1 16 26 13 o 15.4556 5.08033 -0.377171    0.972076  0.72986      1.01919   9.00168     311.962     3.74171     131.962     
1 1 1 16 26 14 o 21.9277 6.01221 1.48097      1.2442    1.86106      0.871444  20.0146     8.23981     6.28261     8.23981     
1 1 1 16 26 15 o 12.6417 4.20413 -0.43669     0.683487  0.062845     0.730431  3.40977     152.132     10.1551     332.132     
1 1 1 16 26 16 o 22.937  5.88284 1.66276      0.905467  1.90414      0.90324   20.9578     41.7701     5.95021     41.7701     
1 1 1 16 26 17 o 17.3686 5.01422 -0.0592475   0.722379  1.53346      0.828173  9.87633     144.506     3.75388     144.506     
1 1 1 16 26 18 o 22.7684 5.7492  1.81891      0.841434  1.63627      0.881765  20.8599     78.9995     7.33325     78.9995     
1 1 1 16 26 19 o 16.0006 5.04745 0.764371     0.796206  0.205593     0.962705  7.11736     108.897     9.6014      288.897     
1 1 1 16 26 20 o 20.7637 5.66953 0.4327       0.846405  2.52421      1.03084   17.8441     2.34736     7.90333     2.34736     
1 1 1 16 26 21 o 20.1528 5.80518 1.38979      0.942563  1.59047      0.967232  14.2949     36.3728     3.12018     216.373     
1 1 1 16 26 22 o 15.7532 4.95607 0.833725     0.809201  0.297735     0.84565   7.4978      173.062     8.68357     353.062     
1 1 1 16 26 23 o 19.1584 5.40824 0.490917     0.843975  1.96599      0.89744   13.5852     15.5137     2.85764     195.514     
1 1 1 16 26 24 o 16.1892 4.76371 -1.04116     0.831825  1.59142      0.800836  6.13919     160.359     3.1902      160.359     
1 1 1 16 26 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 26 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 27 0  o 10.1085 5.09877 -0.930268    1.1892    -0.930268    1.1892    0.94954     1.38846e-05 2.16526     180         
1 1 1 16 27 1  o 21.2598 6.56672 2.6896       1.41936   0.977152     1.4322    16.2329     227.317     1.5201      47.3169     
1 1 1 16 27 2  o 13.5551 4.69263 -2.30641     1.11297   0.255312     1.12424   5.95971     52.1489     1.60975     232.149     
1 1 1 16 27 3  o 18.6096 4.75589 0.930745     0.560495  0.933957     0.61921   15.3432     175.174     3.05458     175.174     
1 1 1 16 27 4  o 13.6785 4.18007 -0.546551    0.58221   0.732059     0.610256  3.37047     4.49576     0.520257    4.49576     
1 1 1 16 27 5  o 13.7166 4.33441 0.068446     0.615461  0.31059      0.646438  5.52393     87.2009     0.105784    267.201     
1 1 1 16 27 6  o 16.0652 4.78295 0.836797     0.680073  0.264179     0.715451  9.37694     35.886      2.64085     35.886      
1 1 1 16 27 7  o 21.8167 5.51124 1.89409      0.820374  1.06468      0.813706  20.2385     210.724     7.45614     210.724     
1 1 1 16 27 8  o 17.702  5.04265 1.42307      0.78049   0.0869175    0.773631  12.8659     19.9177     3.35698     19.9177     
1 1 1 16 27 9  o 18.4728 5.45676 0.629862     0.906776  1.36114      0.883797  13.7527     74.8764     3.34743     74.8764     
1 1 1 16 27 10 o 24.8386 6.01597 2.41288      0.947805  1.80492      0.945035  21.0963     311.533     1.05623     311.533     
1 1 1 16 27 11 o 16.9851 5.06487 0.439281     0.721878  1.07641      0.81432   6.42327     180.837     2.60065     180.837     
1 1 1 16 27 12 o 24.3439 5.42413 2.86885      0.900025  0.842669     0.855188  23.1982     87.1207     7.68486     87.1207     
1 1 1 16 27 13 o 18.1934 5.44856 1.35349      0.81885   0.219329     1.22783   12.8691     119.386     2.20551     119.386     
1 1 1 16 27 14 o 12.0201 4.11762 -1.29761     0.936588  -0.180825    0.724     2.7648      210.011     8.09003     30.0111     
1 1 1 16 27 15 o 12.1905 4.07318 -0.940165    0.632281  0.339392     0.732516  3.15217     97.7781     2.45539     277.778     
1 1 1 16 27 16 o 21.5955 5.54671 2.16688      0.86358   0.920686     0.863177  19.6771     295.952     10.1638     295.952     
1 1 1 16 27 17 o 12.9424 4.3313  -0.353855    0.743773  0.102569     0.797104  4.87292     342.683     2.07603     162.683     
1 1 1 16 27 18 o 17.4146 4.95806 -0.84653     0.792217  2.00838      0.883452  10.2721     36.3177     5.11881     36.3177     
1 1 1 16 27 19 o 14.4063 4.68984 -0.113164    0.774213  0.654017     0.849457  7.69932     82.4302     0.127105    82.4302     
1 1 1 16 27 20 o 15.706  4.93847 0.714979     0.811415  0.48649      0.806396  8.27714     148.665     3.20447     148.665     
1 1 1 16 27 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 27 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 28 0  o 9.20093 4.72273 -1.66569     1.24389   -1.66569     1.24389   0.107184    360         4.23103     360         
1 1 1 16 28 1  o 19.6096 6.41543 0.131116     1.80296   2.54198      1.53288   11.2949     251.883     7.96393     71.8832     
1 1 1 16 28 2  o 17.6026 5.95742 0.18286      1.6567    1.20004      1.48867   10.1058     34.8604     5.22682     214.86      
1 1 1 16 28 3  o 18.3219 6.01037 1.51463      1.39799   0.660625     1.33747   8.33745     33.8644     3.77675     33.8644     
1 1 1 16 28 4  o 12.202  4.28091 -0.348896    1.29534   -0.343696    0.44096   2.23438     266.727     1.7008      86.7265     
1 1 1 16 28 5  o 21.3445 5.28594 1.64118      0.726075  1.13954      0.750061  18.9721     358.775     6.2596      358.775     
1 1 1 16 28 6  o 16.6691 4.81802 0.0909531    0.675328  1.23146      0.730618  6.36922     291.422     2.7747      291.422     
1 1 1 16 28 7  o 14.7216 4.36662 -0.882864    0.621753  1.17053      0.696662  5.78993     98.2315     1.06047     98.2315     
1 1 1 16 28 8  o 11.8841 3.99984 -0.164571    0.661242  -0.440326    0.697439  3.2226      345.809     4.03315     165.809     
1 1 1 16 28 9  o 20.1733 5.56308 1.58867      0.836178  1.14493      0.868481  16.1389     38.4584     1.83495     38.4584     
1 1 1 16 28 10 o 12.882  4.30758 0.00774863   0.735024  -0.308458    0.794577  4.32007     242.866     1.41847     62.8661     
1 1 1 16 28 11 o 9.99758 3.48282 -0.841562    0.613104  -0.797628    0.66538   0.925439    219.977     2.85155     39.9775     
1 1 1 16 28 12 o 13.0365 4.3188  0.406273     0.750414  -0.661296    0.760433  4.70405     139.21      0.754996    319.21      
1 1 1 16 28 13 o 15.3941 4.89182 0.311723     0.793399  0.728785     0.839668  3.9666      64.4165     1.6169      64.4165     
1 1 1 16 28 14 o 16.6209 5.27667 0.633333     0.783896  1.01294      1.11194   10.3899     104.922     3.85813     104.922     
1 1 1 16 28 15 f 16.077  5.22164 1.03413      1.07085   0.259633     0.904824  8.40914     45.2139     0           0           
1 1 1 16 28 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 28 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 28 18 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 29 0  o 11.4494 5.68708 -0.2676      1.29845   -0.2676      1.29845   3.66032     180         2.85955     8.6514e-06  
1 1 1 16 29 1  o 14.1362 4.9216  -0.640613    1.28348   -0.324886    1.26602   6.18174     296.488     0.487507    296.488     
1 1 1 16 29 2  o 14.7816 5.12314 -2.405       1.30648   1.19182      1.35944   5.36277     14.8792     11.3011     194.879     
1 1 1 16 29 3  o 15.7534 5.37774 -1.20317     1.31177   1.38276      1.36722   9.73126     244.008     0.530523    244.008     
1 1 1 16 29 4  o 15.5039 5.25142 1.73491      1.29674   -2.19013     1.19103   9.49052     334.707     0.00594683  334.709     
1 1 1 16 29 5  o 16.5157 5.59823 0.206723     1.42386   0.979572     1.3509    9.4221      246.386     5.47189     66.3862     
1 1 1 16 29 6  o 15.4936 4.66057 0.575434     0.62743   0.599968     0.683424  2.6965      351.569     1.33509     351.569     
1 1 1 16 29 7  o 22.3087 5.63692 2.0177       0.841585  1.43191      0.835512  21.996      135.544     12.6139     135.544     
1 1 1 16 29 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 29 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 29 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 16 29 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 0  1  f 14.0477 5.57091 0.490403     0.611284  0.490403     0.611284  0.650066    89.9996     0           0           
1 1 1 17 0  2  o 114.652 2.4937  24.2022      1.47885   24.2022      1.47885   145.036     180         25.5003     180         
1 1 1 17 0  3  o 8.72647 4.21175 -0.360683    0.593038  -0.360683    0.593038  16.9508     90          36.7738     90          
1 1 1 17 0  4  o 246.769 2.4425  111.861      3.12293   111.861      3.12293   367.98      5.56342e-11 166.968     5.56342e-11 
1 1 1 17 0  5  o 140.509 2.4567  36.3133      1.78685   36.3133      1.78685   157.564     270         8.6637      90          
1 1 1 17 0  6  o 106.851 2.56879 21.0377      1.41904   21.0377      1.41904   114.185     360         17.6791     180         
1 1 1 17 0  7  o 95.9709 2.64079 16.9924      1.3092    16.9924      1.3092    103.489     90          13.8302     270         
1 1 1 17 0  8  o 93.004  2.64313 15.9637      1.26955   15.9637      1.26955   78.5441     0           56.6819     180         
1 1 1 17 0  9  o 112.895 2.57165 23.4808      1.50139   23.4808      1.50139   125.668     90          7.86215     270         
1 1 1 17 0  10 o 31.1938 4.99459 2.04581      0.704273  2.04581      0.704273  17.8785     0           13.2645     180         
1 1 1 17 0  11 o 115.046 2.55023 24.3827      1.51744   24.3827      1.51744   119.137     90          25.1692     270         
1 1 1 17 0  12 o 55.4219 3.21491 5.76248      0.90881   5.76248      0.90881   83.4102     180         49.727      180         
1 1 1 17 0  13 o 9.15095 4.34293 -0.226917    0.580055  -0.226917    0.580055  18.9388     270         41.52       270         
1 1 1 17 0  14 f 91.4417 2.65475 15.4453      1.25351   15.4453      1.25351   115.505     180         0           0           
1 1 1 17 0  15 o 30.3148 5.03127 1.95169      0.686954  1.95169      0.686954  6.02425     270         2.35736     90          
1 1 1 17 0  16 o 139.02  2.47676 35.5891      1.78225   35.5891      1.78225   171.893     3.17476e-06 28.259      3.17476e-06 
1 1 1 17 0  17 o 7.46153 3.70359 -0.588714    0.547706  -0.588714    0.547706  26.3503     90          56.4302     90          
1 1 1 17 0  18 o 61.9505 2.91577 7.15959      0.926668  7.15959      0.926668  77.3414     1.34535e-06 14.7408     1.34535e-06 
1 1 1 17 0  19 f 42.344  3.6303  3.45325      0.765689  3.45325      0.765689  30.782      270         0           0           
1 1 1 17 0  20 o 111.357 2.55807 22.901       1.47306   22.901       1.47306   130.714     360         11.0688     360         
1 1 1 17 0  21 o 74.0699 3.17581 10.243       1.20897   10.243       1.20897   83.4373     90          0.794968    90          
1 1 1 17 0  22 o 9.689   4.61415 -0.271222    0.665332  -0.271222    0.665332  15.1943     180         40.9765     180         
1 1 1 17 0  23 o 50.3779 3.26357 4.81276      0.834931  4.81276      0.834931  68.4135     90          24.532      90          
1 1 1 17 0  24 o 75.9755 2.74189 10.7446      1.07337   10.7446      1.07337   52.1698     180         64.5067     8.65143e-06 
1 1 1 17 0  25 o 64.5135 2.88431 7.79196      0.9556    7.79196      0.9556    81.6762     90          20.4403     90          
1 1 1 17 0  26 o 49.0025 3.29389 4.57862      0.818239  4.57862      0.818239  37.272      2.20235e-06 33.644      180         
1 1 1 17 0  27 o 47.9999 3.8066  4.46365      0.916572  4.46365      0.916572  46.3874     90          12.8309     270         
1 1 1 17 0  28 o 12.6346 5.37755 0.332308     0.637942  0.332308     0.637942  0.504173    180         5.0315      8.65057e-06 
1 1 1 17 0  29 o 10.3263 4.71134 0.0310305    0.585959  0.0310305    0.585959  1.35579     270         10.3126     270         
1 1 1 17 0  30 o 41.7386 3.95925 3.45367      0.813381  3.45367      0.813381  61.2016     180         31.6039     180         
1 1 1 17 0  31 o 74.0367 3.32857 10.4099      1.26544   10.4099      1.26544   82.9103     90          5.39758     90          
1 1 1 17 0  32 o 11.773  5.0727  0.273636     0.582461  0.273636     0.582461  3.93516     180         3.44191     8.65111e-06 
1 1 1 17 0  33 f 18.688  5.96114 0.991975     0.619723  0.991975     0.619723  20.1076     90          0           0           
1 1 1 17 0  34 o 14.8622 5.62677 0.643529     0.593535  0.643529     0.593535  7.07573     180         16.4234     8.65143e-06 
1 1 1 17 0  35 o 8.35813 4.0415  -0.293257    0.551633  -0.293257    0.551633  1.11211     90          10.0129     90          
1 1 1 17 0  36 o 17.2388 6.29947 0.91174      0.723722  0.91174      0.723722  0.223801    1.38941e-06 36.0181     180         
1 1 1 17 0  37 o 9.61688 4.53543 -0.114537    0.615181  -0.114537    0.615181  0.207828    270         0.69579     89.9998     
1 1 1 17 0  38 o 16.7801 5.98784 0.866377     0.644623  0.866377     0.644623  0.246372    180         35.6467     180         
1 1 1 17 0  39 o 29.844  5.05709 2.0192       0.678573  2.0192       0.678573  49.7899     90          41.2354     90          
1 1 1 17 0  40 o 15.634  5.88615 0.776124     0.646366  0.776124     0.646366  1.22693     0.000169578 0.720998    0.000169578 
1 1 1 17 0  41 o 40.6266 4.18745 3.45712      0.827197  3.45712      0.827197  39.2582     270         5.44121     90          
1 1 1 17 0  42 o 9.78722 4.59102 -0.0191081   0.616223  -0.0191081   0.616223  3.7534      360         5.12418     180         
1 1 1 17 0  43 o 15.1951 6.00432 0.794245     0.706949  0.794245     0.706949  12.9291     89.9999     6.95091     89.9999     
1 1 1 17 0  44 o 12.2208 5.32329 0.416291     0.657478  0.416291     0.657478  5.14412     360         12.8831     180         
1 1 1 17 0  45 o 12.7058 5.6619  0.462401     0.788222  0.462401     0.788222  8.00413     90          4.31258     270         
1 1 1 17 0  46 f 16.6322 6.21597 1.03424      0.71643   1.03424      0.71643   11.6344     180         0           0           
1 1 1 17 0  47 o 12.4394 5.47876 0.4965       0.715537  0.4965       0.715537  6.29386     90          0.662534    90          
1 1 1 17 0  48 o 9.8955  4.71099 0.0213887    0.692515  0.0213887    0.692515  2.17313     180         4.51575     8.64624e-06 
1 1 1 17 0  49 f 9.33279 4.54763 -0.175882    0.729897  -0.175882    0.729897  0.92259     90.0002     0           0           
1 1 1 17 0  50 o 8.79702 4.43711 -0.742389    0.900321  -0.742389    0.900321  0.0276384   180         5.04748     360         
1 1 1 17 0  51 o 15.9531 6.78268 1.27453      1.0127    1.27453      1.0127    13.2559     270         4.4015      270         
1 1 1 17 0  52 o 7.66439 3.88256 -0.735295    0.719554  -0.735295    0.719554  0.0409083   180         2.41999     180         
1 1 1 17 0  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 1  0  o 16.5643 5.83646 0.746679     0.608565  0.746679     0.608565  15.8609     270         46.6222     270         
1 1 1 17 1  1  o 124.817 2.47678 29.6555      1.60771   27.7118      1.59314   115.347     320.573     53.1427     140.573     
1 1 1 17 1  2  o 119.276 2.50255 27.9689      1.55234   24.4706      1.53466   177.998     242.021     88.7103     242.021     
1 1 1 17 1  3  o 147.572 2.42472 41.1871      1.86577   38.9254      1.84328   203.582     228.457     72.078      228.457     
1 1 1 17 1  4  o 47.6008 3.37472 4.01967      0.812914  4.42807      0.829081  21.2143     49.8835     58.3248     229.884     
1 1 1 17 1  5  f 59.03   3.01446 5.92419      0.908677  7.00552      0.919256  103.442     249.463     0           0           
1 1 1 17 1  6  o 51.8482 3.20343 5.30627      0.856016  4.69205      0.84643   62.4377     226.983     24.8752     226.983     
1 1 1 17 1  7  o 147.846 2.45144 38.6713      1.87096   41.7758      1.88487   196.522     186.193     57.6745     186.193     
1 1 1 17 1  8  o 85.7514 2.70601 14.7748      1.2131    12.4079      1.18196   95.0495     175.316     0.0444141   175.316     
1 1 1 17 1  9  o 84.6072 2.70162 13.0984      1.18704   13.319       1.17635   71.4804     259.722     45.5627     79.7216     
1 1 1 17 1  10 o 106.676 2.56732 21.5407      1.42932   20.4133      1.40559   101.421     133.313     36.918      313.313     
1 1 1 17 1  11 o 69.6965 2.86433 8.62548      1.03618   9.34856      1.02257   82.0674     168.369     14.7557     168.369     
1 1 1 17 1  12 o 56.7436 3.11591 6.081        0.920339  5.87501      0.89835   57.0354     266.504     4.17558     86.504      
1 1 1 17 1  13 o 75.085  2.80007 9.95714      1.08304   10.8986      1.08732   61.7824     10.1747     41.1667     190.175     
1 1 1 17 1  14 o 103.905 2.57687 20.9442      1.39084   18.9182      1.37851   120.054     93.0488     9.55356     93.0488     
1 1 1 17 1  15 o 51.3601 3.19504 5.65442      0.860354  4.22695      0.814778  44.8138     283.794     15.1098     103.794     
1 1 1 17 1  16 o 80.5973 2.71521 11.859       1.13381   12.1722      1.12817   79.1192     28.8439     18.0434     208.844     
1 1 1 17 1  17 o 13.6277 3.98281 -1.16499     0.544723  0.509787     0.558873  10.5349     8.71105     28.2536     8.71105     
1 1 1 17 1  18 o 28.1959 4.51663 0.961034     0.653892  2.17861      0.668311  4.08183     100.68      43.4404     280.68      
1 1 1 17 1  19 f 70.7589 2.82424 10.4237      1.04199   8.23347      1.01324   70.5097     229.711     0           0           
1 1 1 17 1  20 o 59.5247 3.09238 5.97755      0.89865   7.28444      0.99643   61.5325     247.962     5.63606     67.9618     
1 1 1 17 1  21 o 51.3148 3.5711  4.47578      0.963766  5.48248      0.891701  40.1057     124.222     30.942      304.222     
1 1 1 17 1  22 o 46.8867 3.89883 3.94161      0.933476  4.44016      0.921102  40.1891     275.707     19.8898     95.7073     
1 1 1 17 1  23 f 46.8206 3.57865 4.05369      0.845476  4.26887      0.863932  75.3544     293.186     0           0           
1 1 1 17 1  24 o 19.7785 4.17389 1.42704      0.584187  -0.270862    0.567227  4.84858     282.495     23.8166     102.495     
1 1 1 17 1  25 f 75.7344 2.8485  11.4924      1.15761   10.0175      1.07115   89.1291     178.814     0           0           
1 1 1 17 1  26 o 54.3871 3.27012 5.91959      0.913319  5.30876      0.910749  59.9842     255.477     3.84905     255.477     
1 1 1 17 1  27 o 43.1105 3.63183 3.31271      0.790991  3.86187      0.795927  50.6077     71.8033     11.5322     71.8033     
1 1 1 17 1  28 o 45.2219 3.4926  4.11358      0.785919  3.77078      0.820774  34.2661     159.852     27.8197     339.852     
1 1 1 17 1  29 o 36.98   4.13162 2.8136       0.753634  2.62068      0.775898  46.2555     118.985     17.1137     118.985     
1 1 1 17 1  30 o 40.7991 3.99401 3.7761       0.830147  2.85174      0.802405  48.0332     52.9856     11.0035     52.9856     
1 1 1 17 1  31 o 23.7535 5.25051 1.06818      0.716462  1.28862      0.722551  15.2361     145.41      16.6946     325.41      
1 1 1 17 1  32 o 39.7856 3.89453 3.16128      0.816665  3.13692      0.744462  35.6807     132.824     12.3667     312.824     
1 1 1 17 1  33 o 28.6222 4.6287  2.05711      0.680224  1.38972      0.672468  35.3354     64.2119     14.3368     64.2119     
1 1 1 17 1  34 o 20.9396 4.85552 0.675036     0.615304  1.12228      0.622073  18.7848     250.238     1.77284     70.2375     
1 1 1 17 1  35 o 63.352  3.24143 8.07464      1.07713   7.64945      1.03751   64.8344     17.2978     3.93392     197.298     
1 1 1 17 1  36 o 11.1711 3.72822 -0.521991    0.57151   -0.494248    0.556753  1.74463     37.0661     1.51258     217.066     
1 1 1 17 1  37 o 16.5131 4.74887 0.191068     0.631037  0.551149     0.655516  1.63739     29.5109     28.0835     209.511     
1 1 1 17 1  38 o 12.2595 4.00103 -0.972478    0.603177  0.068709     0.631131  1.07315     111.941     23.4925     111.941     
1 1 1 17 1  39 o 24.1899 4.31813 2.44435      0.698878  0.0702296    0.648656  21.0759     0.39336     5.00206     180.393     
1 1 1 17 1  40 f 39.7007 4.17603 4.26684      0.828556  2.60196      0.797897  33.3515     90.3598     0           0           
1 1 1 17 1  41 o 31.4268 4.79601 1.90438      0.763254  2.71281      0.759205  27.4376     326.586     7.80735     146.586     
1 1 1 17 1  42 o 25.017  5.34594 1.69923      0.764669  1.51989      0.739793  20.4657     58.8816     7.55151     238.882     
1 1 1 17 1  43 o 26.9301 5.14372 2.56787      0.801621  1.23965      0.739065  27.1084     109.246     2.29026     109.246     
1 1 1 17 1  44 o 16.7787 4.76361 1.07628      0.691011  -0.0173855   0.674217  9.15933     283.525     11.9334     103.524     
1 1 1 17 1  45 o 16.9498 5.08163 1.01949      0.806938  0.210189     0.785489  8.31863     112.574     13.4564     292.574     
1 1 1 17 1  46 o 12.54   4.13872 0.0874126    0.666722  -0.406503    0.671244  4.81685     211.571     0.162476    211.571     
1 1 1 17 1  47 o 10.0746 3.49211 -0.7634      0.618574  -0.745793    0.619863  2.59361     252.97      3.56067     72.9701     
1 1 1 17 1  48 o 16.9448 4.71661 1.54282      0.732615  -0.275436    0.685829  11.7498     97.695      4.83621     277.695     
1 1 1 17 1  49 o 13.9302 4.56673 0.424166     0.773362  -0.127747    0.821738  7.14546     239.751     3.02189     59.7511     
1 1 1 17 1  50 o 13.2313 4.48711 -0.377236    0.76954   0.202896     0.96956   5.86932     358.165     2.09833     178.165     
1 1 1 17 1  51 o 14.7362 4.93006 0.0702325    0.991091  0.677844     1.01048   8.70868     198.379     1.1357      198.379     
1 1 1 17 1  52 o 19.7795 5.4039  1.20443      0.800286  1.73559      0.799261  18.3937     303.447     4.70866     303.447     
1 1 1 17 1  53 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 2  0  o 117.148 2.50133 25.2653      1.51579   25.2653      1.51579   136.805     270         3.48984     270         
1 1 1 17 2  1  o 50.8433 3.22203 5.35927      0.848234  4.27891      0.825495  32.4863     344.556     42.6669     164.556     
1 1 1 17 2  2  o 21.3239 4.92053 0.88169      0.613367  0.743802     0.639864  5.03888     242.361     29.2517     242.361     
1 1 1 17 2  3  o 25.2332 4.77376 0.869062     0.647353  1.57069      0.654207  2.3195      252.052     10.6689     72.0524     
1 1 1 17 2  4  o 44.0137 3.69411 2.58309      0.778342  4.85322      0.810872  21.3818     69.4358     48.458      249.436     
1 1 1 17 2  5  o 109.373 2.51643 21.6287      1.4193    22.4359      1.43007   141.183     126.052     36.8667     126.052     
1 1 1 17 2  6  o 62.5567 2.93539 7.35074      0.946113  7.13249      0.946644  74.6294     184.074     17.2556     184.074     
1 1 1 17 2  7  o 100.985 2.5901  19.5156      1.3628    18.0837      1.34352   116.362     75.861      6.6311      75.861      
1 1 1 17 2  8  o 171.317 2.43166 51.4102      2.15328   56.6412      2.16212   194.964     99.107      0.0815946   279.106     
1 1 1 17 2  9  o 102.441 2.58307 20.0498      1.37886   18.6487      1.35931   118.53      222.568     8.11899     222.568     
1 1 1 17 2  10 o 104.393 2.58336 20.2422      1.39637   19.936       1.39515   112.668     344.666     8.29282     164.666     
1 1 1 17 2  11 o 134.504 2.49097 32.1284      1.73169   34.5434      1.73725   144.949     290.851     13.592      110.851     
1 1 1 17 2  12 o 35.469  4.2095  2.23582      0.743166  2.56301      0.748174  22.2669     10.2377     14.1489     190.238     
1 1 1 17 2  13 o 72.8066 2.81222 9.57341      1.06274   10.0364      1.05106   94.3928     334.824     34.3483     334.824     
1 1 1 17 2  14 o 26.9975 4.78995 1.5535       0.683547  1.27768      0.657112  3.41656     142.982     28.4567     322.982     
1 1 1 17 2  15 o 21.3541 4.93448 1.00791      0.635554  0.623168     0.637283  1.90475     244.324     13.1348     244.324     
1 1 1 17 2  16 o 71.8604 2.79363 9.91744      1.03841   9.21691      1.03386   49.4998     317.227     58.1733     137.227     
1 1 1 17 2  17 o 38.298  3.78446 2.49957      0.728721  3.0731       0.725179  27.4927     42.9749     18.4761     222.975     
1 1 1 17 2  18 o 124.247 2.50955 28.1643      1.61496   28.8835      1.61406   153.034     350.523     29.406      350.523     
1 1 1 17 2  19 o 114.872 2.54016 25.8179      1.52521   23.0375      1.49402   124.426     282.046     6.81923     102.046     
1 1 1 17 2  20 o 63.7941 3.15707 6.81836      1.03206   8.42578      1.03312   63.5798     141.375     11.8718     321.375     
1 1 1 17 2  21 o 55.2527 3.27182 6.38282      0.929747  5.11004      0.918498  55.7702     98.3325     7.96632     278.333     
1 1 1 17 2  22 o 13.8047 4.29389 -0.0172019   0.59925   -0.266724    0.595699  6.22533     253.366     29.4796     253.366     
1 1 1 17 2  23 o 82.9379 2.90099 12.7106      1.25111   12.9805      1.23517   100.04      90.7736     18.4573     90.7736     
1 1 1 17 2  24 o 64.5136 3.05623 8.24271      1.01493   7.39929      1.01486   77.804      82.266      16.3888     82.266      
1 1 1 17 2  25 o 35.8014 4.11302 2.32437      0.735682  2.6803       0.735932  24.9575     334.72      24.176      154.72      
1 1 1 17 2  26 o 26.5779 4.71417 1.29191      0.648443  1.55461      0.650927  12.6256     163.754     7.82152     163.754     
1 1 1 17 2  27 o 24.601  4.67633 1.49049      0.616663  0.953737     0.620137  5.49525     300.237     38.2412     120.237     
1 1 1 17 2  28 o 37.492  3.84637 2.27776      0.708696  3.2672       0.724642  42.9544     42.0867     8.88211     42.0867     
1 1 1 17 2  29 o 47.2248 3.46569 3.73602      0.791482  4.92846      0.877097  39.3552     1.11427     21.9879     181.114     
1 1 1 17 2  30 o 23.4207 5.21495 1.31942      0.705167  0.933042     0.723431  20.2013     211.577     4.09785     31.5767     
1 1 1 17 2  31 o 49.1221 4.18426 4.31551      1.06355   5.34215      0.99966   55.1466     248.108     6.37462     248.108     
1 1 1 17 2  32 o 54.9846 3.44238 5.33046      0.977468  6.46205      0.952596  74.4605     141.935     32.6536     141.935     
1 1 1 17 2  33 o 28.2602 4.45737 2.59998      0.688137  0.827161     0.653905  31.3561     78.9831     6.22963     78.9831     
1 1 1 17 2  34 o 53.9523 3.54113 6.39349      1.04549   5.13686      0.913689  66.5275     51.5356     19.7165     51.5356     
1 1 1 17 2  35 o 59.6002 3.44805 6.61328      1.10285   7.44211      0.992787  70.1922     89.5547     15.213      89.5547     
1 1 1 17 2  36 f 14.4076 4.3031  0.544391     0.616206  -0.56907     0.584066  19.7007     83.0757     0           0           
1 1 1 17 2  37 o 14.9445 4.36686 0.650787     0.620024  -0.450262    0.579112  6.81113     193.209     12.4331     13.2088     
1 1 1 17 2  38 o 18.4959 5.03005 0.760977     0.693942  0.540698     0.667752  10.7881     125.525     12.806      305.525     
1 1 1 17 2  39 o 29.637  5.33241 2.06618      0.812114  2.06724      0.830115  27.5331     160.4       3.66546     340.4       
1 1 1 17 2  40 o 25.837  5.2259  1.87962      0.755666  1.33804      0.729969  25.9759     113.883     2.10201     113.883     
1 1 1 17 2  41 o 17.4272 4.73779 0.220436     0.626527  0.942112     0.634345  16.8877     215.308     6.83882     215.308     
1 1 1 17 2  42 o 21.1815 5.20436 1.32275      0.69807   0.928837     0.720252  23.9531     296.78      11.0295     296.78      
1 1 1 17 2  43 o 19.5809 5.06205 0.305361     0.68383   1.55278      0.76204   16.9667     187.827     1.8356      7.82687     
1 1 1 17 2  44 o 25.0113 5.20237 1.4134       0.732127  1.95501      0.728741  23.0274     306.501     1.27686     126.501     
1 1 1 17 2  45 o 18.5089 4.82322 1.85307      0.794871  -0.584379    0.735126  17.034      100.823     3.53373     100.823     
1 1 1 17 2  46 o 14.7137 4.56093 0.726775     0.704137  -0.162941    0.676417  4.37496     216.832     16.9219     36.832      
1 1 1 17 2  47 o 27.0458 5.37291 2.02314      0.782507  2.3107       0.789948  27.1418     51.7679     3.93519     51.7679     
1 1 1 17 2  48 o 14.4145 4.57615 0.273514     0.734007  0.407951     0.692391  8.45194     179.418     4.52489     359.418     
1 1 1 17 2  49 o 14.1739 4.5678  0.308237     0.763457  0.290395     0.718354  5.95177     144.61      0.409913    144.61      
1 1 1 17 2  50 o 15.6872 5.00775 0.0415372    0.898757  1.06942      0.88683   10.0521     60.5409     2.4541      240.541     
1 1 1 17 2  51 o 14.2346 4.81421 -0.484061    0.89037   0.923936     1.08243   8.39002     108.148     1.67413     288.148     
1 1 1 17 2  52 o 14.2162 4.53807 -0.129925    0.78132   0.795745     0.712911  9.31439     233.194     1.30192     53.1944     
1 1 1 17 3  0  o 74.041  2.77672 10.1542      1.05881   10.1542      1.05881   79.101      90          12.3007     270         
1 1 1 17 3  1  o 100.261 2.58893 20.4748      1.35066   16.6643      1.32721   85.5732     277.065     55.0031     97.0645     
1 1 1 17 3  2  o 110.841 2.53336 21.934       1.45199   23.3287      1.45431   143.612     93.2412     38.3074     93.2412     
1 1 1 17 3  3  o 106.711 2.535   20.9919      1.4067    20.9553      1.39374   143.164     114.248     47.6043     114.248     
1 1 1 17 3  4  o 154.004 2.44093 42.0185      1.94382   45.2617      1.9516    185.595     290.387     20.8666     290.387     
1 1 1 17 3  5  o 64.5107 2.91014 7.2992       0.969644  8.10698      0.96399   58.2896     256.333     23.523      76.3327     
1 1 1 17 3  6  o 15.9804 4.58464 0.17967      0.589739  0.213647     0.595205  25.1014     209.2       69.0824     209.2       
1 1 1 17 3  7  o 43.5761 3.51636 3.59628      0.781112  3.50866      0.778959  38.0521     118.613     7.92961     298.613     
1 1 1 17 3  8  o 62.6153 2.9423  6.91444      0.942787  7.61058      0.955159  59.7848     25.3337     14.8968     205.334     
1 1 1 17 3  9  o 198.058 2.42062 74.4061      2.49456   69.9893      2.47452   247.014     120.153     43.5932     120.153     
1 1 1 17 3  10 o 138.347 2.48127 36.5048      1.78874   34.0016      1.76749   205.484     52.6949     100.833     52.6949     
1 1 1 17 3  11 o 192.659 2.42763 70.4869      2.43437   66.1813      2.4132    216.059     78.4632     5.02143     258.463     
1 1 1 17 3  12 o 42.7972 3.54677 3.21987      0.767064  3.6552       0.774252  15.5379     78.1952     9.17992     78.1952     
1 1 1 17 3  13 f 62.6323 2.93724 8.34418      0.956857  6.27232      0.928004  102.416     73.6017     0           0           
1 1 1 17 3  14 o 84.9013 2.68282 13.8327      1.18559   12.8172      1.16908   90.6374     171.202     4.50678     351.202     
1 1 1 17 3  15 o 44.0812 3.51445 4.38626      0.790807  2.97536      0.764734  43.7678     183.13      18.8205     183.13      
1 1 1 17 3  16 o 58.8884 3.00006 6.56309      0.910599  6.32982      0.908474  82.1573     66.7787     53.1401     66.7787     
1 1 1 17 3  17 o 49.9671 3.2794  3.90996      0.81941   5.49407      0.842585  27.6762     93.559      50.8593     273.559     
1 1 1 17 3  18 o 53.1721 3.10741 5.4453       0.860454  5.11158      0.837118  69.9802     251.736     32.4085     251.736     
1 1 1 17 3  19 o 67.996  3.02811 7.95972      1.05174   9.28812      1.06813   79.2196     55.7891     10.8847     55.7891     
1 1 1 17 3  20 o 124.753 2.70731 29.1595      1.75651   28.5732      1.74081   144.617     262.675     11.5073     262.675     
1 1 1 17 3  21 o 55.229  3.25267 5.52851      0.922558  5.92755      0.921917  69.4486     237.479     20.9057     237.479     
1 1 1 17 3  22 o 16.9404 4.67795 0.57755      0.619514  0.0631042    0.597923  2.32014     188.496     6.57756     8.49564     
1 1 1 17 3  23 o 98.5095 2.99557 17.6232      1.53233   18.6687      1.51831   122.738     163.802     29.0335     163.802     
1 1 1 17 3  24 o 18.5907 4.82748 0.244981     0.597267  0.820702     0.653551  6.13755     335.133     10.4264     155.133     
1 1 1 17 3  25 o 23.74   4.55339 1.66979      0.619412  0.539721     0.614474  18.2022     134.968     2.10548     134.968     
1 1 1 17 3  26 o 14.1145 4.2287  0.0978434    0.539033  0.0276606    0.532628  1.87103     289.032     22.0967     289.032     
1 1 1 17 3  27 o 11.5884 3.75134 -0.848693    0.523104  -0.0238697   0.533973  2.63909     101.401     15.813      101.401     
1 1 1 17 3  28 o 19.2281 4.80033 0.691836     0.618132  0.653123     0.574202  13.3068     328.113     2           148.113     
1 1 1 17 3  29 o 40.6245 3.86452 3.10781      0.789281  3.38914      0.79586   43.223      359.111     1.3521      359.111     
1 1 1 17 3  30 o 27.8098 4.9894  1.71526      0.677926  1.5281       0.767733  32.1433     65.2202     10.7701     65.2202     
1 1 1 17 3  31 o 41.1643 4.62361 4.4187       1.01421   2.61499      0.876858  48.4621     294.742     11.1082     294.742     
1 1 1 17 3  32 o 16.402  4.85782 0.418446     0.738413  0.0162928    0.657029  10.3307     51.0291     8.05023     231.029     
1 1 1 17 3  33 o 47.1866 3.96924 3.59781      0.93082   5.39323      0.930448  51.5718     113.671     4.02817     113.671     
1 1 1 17 3  34 o 22.8926 5.06659 1.1147       0.688046  1.13103      0.648677  26.5795     83.9177     13.3112     83.9177     
1 1 1 17 3  35 o 24.3914 4.88595 0.817941     0.645432  1.78747      0.699365  20.5605     6.03173     6.84158     186.032     
1 1 1 17 3  36 o 27.7293 4.9639  1.54567      0.696506  1.85592      0.733923  19.3501     243.737     17.1078     63.7371     
1 1 1 17 3  37 o 19.143  4.84544 0.950119     0.629546  0.537024     0.606195  14.3877     112.325     8.86289     112.325     
1 1 1 17 3  38 o 21.3081 5.03643 0.975778     0.656253  1.04311      0.651472  19.1018     160.485     1.4376      340.485     
1 1 1 17 3  39 o 33.0812 4.76253 2.37707      0.782285  2.53026      0.795572  43.5253     339.372     22.3486     339.372     
1 1 1 17 3  40 o 19.519  5.14459 0.646873     0.705375  1.03137      0.705353  16.6969     90.6734     2.27946     270.673     
1 1 1 17 3  41 o 24.351  4.63867 0.53756      0.664793  2.27434      0.699047  22.8495     325.893     1.30045     145.893     
1 1 1 17 3  42 o 15.4869 4.4552  0.883743     0.634805  -0.340185    0.609455  12.304      51.1726     1.5442      231.173     
1 1 1 17 3  43 o 16.6963 4.71839 0.142247     0.637788  0.939627     0.656716  14.5183     284.535     0.950888    284.535     
1 1 1 17 3  44 o 11.6586 3.90755 -0.195163    0.642862  -0.579314    0.625062  3.11254     129.92      0.212386    309.92      
1 1 1 17 3  45 o 13.7901 4.47445 0.537712     0.786339  -0.647511    0.70462   8.21468     129.658     3.19079     309.658     
1 1 1 17 3  46 o 15.8833 4.78495 0.746336     0.703976  0.342713     0.693617  3.29329     173.237     22.0096     353.237     
1 1 1 17 3  47 o 19.5865 5.40312 1.36607      0.82017   1.09558      0.764709  12.7423     200.354     9.7357      20.3544     
1 1 1 17 3  48 o 13.7015 4.45096 -0.0625056   0.718258  0.372175     0.734237  6.97891     147.992     0.0317457   147.992     
1 1 1 17 3  49 o 15.0051 4.66669 0.609514     0.717698  0.40213      0.687464  8.82058     209.969     0.880125    29.9692     
1 1 1 17 3  50 o 12.779  4.33575 0.0224886    0.857633  -0.384786    0.796203  4.97954     221.428     1.47833     41.4278     
1 1 1 17 3  51 o 12.5075 4.2663  0.0140454    0.853783  -0.396255    0.797933  4.68295     168.751     8.61351     348.751     
1 1 1 17 3  52 o ?       ?       ?            ?         ?            ?         16.5568     243.91      0           0           
1 1 1 17 4  0  o 46.5803 3.41215 4.11647      0.801831  4.11647      0.801831  34.7161     270         37.0725     90          
1 1 1 17 4  1  o 144.989 2.44138 37.6107      1.83501   39.7417      1.8336    176.745     251.46      24.5153     251.46      
1 1 1 17 4  2  o 48.5982 3.26242 5.27145      0.81025   3.59994      0.791363  34.576      202.237     32.1695     22.2373     
1 1 1 17 4  3  o 61.3331 2.9456  7.9589       0.932134  6.03399      0.917272  57.0069     114.584     17.847      294.584     
1 1 1 17 4  4  o 72.4936 2.79162 9.90935      1.04412   9.50749      1.04562   86.5495     63.4322     16.2161     63.4322     
1 1 1 17 4  5  o 73.3159 2.74592 10.1183      1.04884   9.73663      1.0308    85.3762     232.179     11.6336     232.179     
1 1 1 17 4  6  o 66.3098 2.83601 8.32432      0.971964  7.93869      0.968175  7.21047     274.437     132.881     94.4371     
1 1 1 17 4  7  o 102.245 2.58543 20.5476      1.36861   18.0335      1.36338   85.1928     260.616     59.2987     80.6162     
1 1 1 17 4  8  o 22.196  4.30336 1.72843      0.629693  -0.0845035   0.607997  15.5597     136.253     65.5573     136.253     
1 1 1 17 4  9  o 120.184 2.5104  29.1262      1.57218   24.213       1.54454   126.97      129.449     16.2031     309.449     
1 1 1 17 4  10 o 44.1692 3.62935 5.11392      0.798782  2.44594      0.751904  10.6447     308.4       70.9209     128.4       
1 1 1 17 4  11 o 66.116  2.86946 7.45887      0.964797  8.75         0.989453  54.6979     336.749     33.5937     156.749     
1 1 1 17 4  12 o 187.413 2.42996 61.6181      2.34971   67.8192      2.36832   240.594     196.977     58.1261     196.977     
1 1 1 17 4  13 o 166.883 2.44203 52.224       2.11912   50.395       2.10555   220.667     1.63206     66.3453     1.63206     
1 1 1 17 4  14 o 27.4409 4.54679 1.82738      0.65033   1.11165      0.634068  5.68843     33.4509     23.5881     213.451     
1 1 1 17 4  15 o 45.766  3.38694 4.06665      0.796095  3.78253      0.786516  23.586      356.448     47.7486     176.448     
1 1 1 17 4  16 o 62.6977 2.90123 8.77625      0.948138  5.95895      0.906797  60.7943     160.336     12.786      340.336     
1 1 1 17 4  17 o 15.5258 4.45878 0.355334     0.572588  -0.0158384   0.56611   8.50109     355.894     29.9282     355.894     
1 1 1 17 4  18 o 64.7727 3.05679 8.35843      1.03223   7.29085      1.00649   59.5712     253.861     21.7697     73.8607     
1 1 1 17 4  19 o 28.6269 4.86268 1.7365       0.73259   1.49224      0.69361   19.8156     62.0253     13.4528     242.025     
1 1 1 17 4  20 o 15.6585 4.51235 0.365796     0.59046   -0.020003    0.580472  26.6414     301.324     82.839      301.324     
1 1 1 17 4  21 o 44.8655 3.56096 3.49899      0.820133  4.14455      0.799356  43.7814     216.747     7.34749     36.7468     
1 1 1 17 4  22 o 18.1174 4.79992 0.610339     0.64763   0.37565      0.572144  2.85002     19.0322     36.8063     19.0322     
1 1 1 17 4  23 o 12.2816 3.98163 -0.977355    0.62273   -0.0774572   0.579779  2.60892     37.487      11.8146     37.487      
1 1 1 17 4  24 o 46.969  3.56116 4.32606      0.863108  4.09041      0.843787  61.6971     176.276     26.5355     176.276     
1 1 1 17 4  25 o 33.6386 4.3977  1.53201      0.724881  3.04426      0.73287   24.7572     16.1282     19.3223     196.128     
1 1 1 17 4  26 o 47.4074 3.52448 4.18178      0.852618  4.44035      0.85296   47.0758     87.2502     6.35745     267.25      
1 1 1 17 4  27 o 15.7634 4.50913 0.238767     0.549681  0.280442     0.592337  3.74714     258.693     15.854      78.6934     
1 1 1 17 4  28 o 35.6037 4.41217 3.00444      0.726568  2.11224      0.816084  47.2007     280.489     23.5694     280.489     
1 1 1 17 4  29 o 31.5613 4.4925  1.13422      0.703881  3.07906      0.732011  26.4334     316.665     12.0179     136.665     
1 1 1 17 4  30 o 52.6804 3.3934  5.29814      0.922769  5.46443      0.909663  59.5747     258.132     7.22496     258.132     
1 1 1 17 4  31 o 35.8754 4.588   3.71406      0.822364  1.72047      0.792144  29.8344     138.692     15.2708     318.692     
1 1 1 17 4  32 o 40.8271 4.72911 3.62416      1.00304   3.27136      0.929876  52.68       184.858     20.9912     184.858     
1 1 1 17 4  33 o 34.9339 4.8671  2.71997      0.907633  2.44313      0.792552  42.751      90.1597     14.5499     90.1597     
1 1 1 17 4  34 o 12.4222 3.91252 0.202996     0.546576  -0.70713     0.532559  4.51635     219.921     9.28257     39.9208     
1 1 1 17 4  35 o 58.0987 3.12161 6.88849      0.950529  6.32743      0.915457  66.8357     95.1589     12.0198     95.1589     
1 1 1 17 4  36 o 22.8173 4.97641 0.919185     0.665808  1.36569      0.649193  14.1231     0.576649    16.5204     180.577     
1 1 1 17 4  37 o 23.3749 4.90676 1.54298      0.662243  0.897575     0.64379   17.8613     77.3145     9.68662     257.315     
1 1 1 17 4  38 o 52.2744 3.38021 5.66683      0.923565  5.33914      0.888148  65.8795     4.56457     24.3938     4.56457     
1 1 1 17 4  39 o 11.1245 3.70732 -0.254802    0.566395  -0.662238    0.547568  3.52398     99.4166     8.52366     279.417     
1 1 1 17 4  40 o 19.692  4.95007 1.3499       0.697363  0.321576     0.666316  18.0312     134.304     0.211939    134.304     
1 1 1 17 4  41 o 12.5106 4.09828 -0.118534    0.625839  -0.398719    0.642245  6.07342     173.302     7.86138     353.302     
1 1 1 17 4  42 o 15.4272 4.62031 0.244594     0.64866   0.473941     0.635912  13.3079     17.7779     4.31875     17.7779     
1 1 1 17 4  43 o 13.6661 4.30689 -0.0333184   0.638191  0.211123     0.605164  7.03461     240.962     2.45329     240.962     
1 1 1 17 4  44 o 32.6816 4.99511 2.12251      0.819551  3.41897      0.838626  39.8659     328.385     17.2665     328.385     
1 1 1 17 4  45 o 16.8712 5.06375 0.863471     0.789129  0.464622     0.760352  10.8927     311.653     5.64509     311.653     
1 1 1 17 4  46 o 15.5059 4.38702 -0.976429    0.665743  1.28811      0.676822  9.65184     241.885     4.6148      241.885     
1 1 1 17 4  47 o 22.3321 5.25823 0.842034     0.786263  2.25672      0.792912  16.2135     339.078     8.57062     159.078     
1 1 1 17 4  48 o 17.4663 5.01874 0.580019     0.739535  1.19815      0.724058  14.1855     59.4435     2.66112     59.4435     
1 1 1 17 4  49 o 14.1237 4.44351 0.772851     0.69613   -0.249362    0.672056  7.41823     18.5136     1.80903     198.514     
1 1 1 17 4  50 o 13.4482 4.48857 0.128875     0.824001  0.0189988    0.811978  4.90674     238.952     0.287611    238.952     
1 1 1 17 4  51 o 12.0193 4.03398 -0.654595    0.719217  0.253119     0.677562  5.19397     58.72       2.43518     238.72      
1 1 1 17 4  52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 5  0  o 23.8726 5.82839 1.36948      0.649662  1.36948      0.649662  0.490982    90          32.5795     90          
1 1 1 17 5  1  o 128.584 2.46271 29.6628      1.63616   31.2352      1.6431    160.675     178.189     31.5856     178.189     
1 1 1 17 5  2  o 137.201 2.46008 35.0605      1.75101   34.259       1.74525   163.194     78.3055     16.3003     78.3055     
1 1 1 17 5  3  o 78.9788 2.7301  12.8244      1.12965   10.2769      1.09221   76.2728     275.227     21.6385     95.2273     
1 1 1 17 5  4  o 46.1172 3.33426 3.83362      0.781142  4.10257      0.790063  27.9877     254.947     39.2407     74.9475     
1 1 1 17 5  5  f 176.108 2.4171  55.9223      2.2069    58.2209      2.20538   150.295     334.838     0           0           
1 1 1 17 5  6  o 74.9696 2.76898 9.6837       1.06236   11.1067      1.07945   56.0291     304.519     53.3143     124.519     
1 1 1 17 5  7  f 119.206 2.50058 27.4686      1.54312   24.9237      1.54107   115.052     288.586     0           0           
1 1 1 17 5  8  o 40.8916 3.65661 2.49515      0.732596  3.86398      0.754191  12.5851     53.5802     58.0646     233.58      
1 1 1 17 5  9  o 71.4805 2.7598  8.67551      1.01154   10.2473      1.02104   96.2685     167.557     42.4219     167.557     
1 1 1 17 5  10 o 61.8302 2.92751 6.85156      0.931884  7.32103      0.933053  56.8627     19.0755     17.8379     199.076     
1 1 1 17 5  11 o 46.0577 3.34971 3.63003      0.786463  4.31303      0.784493  33.5297     65.062      25.3768     245.062     
1 1 1 17 5  12 o 28.3484 4.51203 1.85471      0.63981   1.26794      0.660706  0.279376    342.242     45.8513     162.241     
1 1 1 17 5  13 o 109.834 2.54222 22.6278      1.45305   21.9056      1.43773   117.655     292.295     8.6587      112.295     
1 1 1 17 5  14 o 59.1231 2.94729 6.93153      0.910338  6.06877      0.883055  57.1748     66.3775     10.4863     246.377     
1 1 1 17 5  15 o 53.5642 3.14385 5.4875       0.889281  5.213        0.840944  42.6957     347.936     27.8828     167.936     
1 1 1 17 5  16 o 69.4223 2.9072  7.93627      1.04844   10.0244      1.01916   63.6876     294.845     23.7857     114.845     
1 1 1 17 5  17 o 92.7739 2.78438 16.995       1.34999   14.9539      1.3195    98.7645     308.81      7.47785     128.809     
1 1 1 17 5  18 o 111.77  2.72398 21.8853      1.57303   24.4751      1.57491   121.506     310.247     5.34815     130.247     
1 1 1 17 5  19 o 37.7095 4.28678 2.10676      0.814518  3.45036      0.759499  39.4881     270.038     2.43206     270.038     
1 1 1 17 5  20 o 62.2917 3.2065  7.75146      1.00159   6.80943      1.04735   93.5503     259.238     54.8817     259.238     
1 1 1 17 5  21 o 35.7041 4.22915 2.62409      0.723484  2.32544      0.780714  22.0303     124.901     30.254      304.901     
1 1 1 17 5  22 o 14.3462 4.18346 -0.612516    0.52562   0.511879     0.586534  0.719388    299.277     11.9344     299.277     
1 1 1 17 5  23 o 31.9543 4.6637  1.70094      0.715566  2.37727      0.780889  28.9989     154.839     4.69453     334.839     
1 1 1 17 5  24 o 48.9081 3.48396 3.83574      0.855497  5.34168      0.866163  57.151      116.462     11.4103     116.462     
1 1 1 17 5  25 o 93.4662 2.65644 17.3408      1.294     15.3879      1.27241   95.8117     190.31      12.2481     10.3105     
1 1 1 17 5  26 o 52.1228 3.07402 5.23259      0.830373  5.08649      0.815635  53.6945     316.138     3.80877     136.138     
1 1 1 17 5  27 o 18.9571 4.46485 0.0816195    0.5815    1.09735      0.563523  1.5633      17.4682     33.1236     197.468     
1 1 1 17 5  28 o 21.4297 4.76469 0.829957     0.596973  1.0097       0.587243  16.6784     83.4614     5.90568     263.461     
1 1 1 17 5  29 o 46.9186 3.55486 4.28735      0.850907  4.29448      0.8513    51.5805     29.3222     3.97944     29.3222     
1 1 1 17 5  30 o 23.2913 4.8349  1.61744      0.670682  0.603281     0.649159  12.0227     212.629     22.6852     32.6294     
1 1 1 17 5  31 o 13.7464 4.35464 -0.18624     0.690195  -0.143479    0.588456  3.78236     345.388     16.2139     165.388     
1 1 1 17 5  32 o 22.3021 5.33873 1.08813      0.775886  0.972159     0.692648  15.8564     268.974     11.9073     88.9739     
1 1 1 17 5  33 f 37.1472 4.19749 2.91498      0.788014  2.73812      0.773907  43.2179     18.8215     0           0           
1 1 1 17 5  34 o 17.8638 4.87196 0.587022     0.640767  0.505222     0.636617  15.3277     103.451     0.788161    103.451     
1 1 1 17 5  35 o 13.358  4.12909 0.291067     0.590303  -0.414911    0.528153  4.83158     31.0603     12.3116     211.06      
1 1 1 17 5  36 o 18.3317 4.68837 0.252644     0.599415  0.988819     0.606779  17.1252     223.588     5.14569     223.588     
1 1 1 17 5  37 o 23.5662 4.77953 1.69207      0.658322  0.79051      0.623413  25.7867     210.054     7.82612     210.054     
1 1 1 17 5  38 o 29.7683 4.77788 2.03593      0.72299   1.94149      0.717806  31.293      329.92      3.81896     329.92      
1 1 1 17 5  39 f 16.0934 4.58092 0.690014     0.616833  0.0894838    0.59171   17.1465     68.1771     0           0           
1 1 1 17 5  40 o 23.0307 5.12566 1.10862      0.702289  1.46929      0.678753  14.2868     5.56359     16.2202     185.564     
1 1 1 17 5  41 o 13.9917 4.37982 -0.45995     0.613381  0.48027      0.686335  10.2164     277.428     0.681218    97.4284     
1 1 1 17 5  42 f 22.4875 5.3045  1.42149      0.711176  1.25894      0.74473   31.5135     3.04949     0           0           
1 1 1 17 5  43 o 16.5926 4.31208 1.38817      0.652845  -0.828349    0.613143  14.9303     174.883     3.02925     174.883     
1 1 1 17 5  44 o 10.5183 3.61469 -0.723605    0.640322  -0.643361    0.607428  2.13305     357.9       9.85642     177.9       
1 1 1 17 5  45 o 17.5168 5.10354 0.685563     0.752311  0.927084     0.750035  14.0055     174.97      7.071       174.97      
1 1 1 17 5  46 o 15.6885 4.82102 0.744297     0.740411  0.28332      0.735403  8.89705     128.848     8.81884     308.848     
1 1 1 17 5  47 o 15.9439 4.81509 0.51053      0.678171  0.774926     0.730775  6.75955     294.069     3.40832     294.069     
1 1 1 17 5  48 o 11.1406 3.78295 0.152897     0.671001  -1.13041     0.6044    2.42721     76.7419     8.6493      256.742     
1 1 1 17 5  49 o 23.2434 5.46957 1.71392      0.786315  1.86964      0.76091   24.3431     208.504     10.6949     208.504     
1 1 1 17 5  50 o 19.3833 5.68072 1.5871       0.956416  1.45387      0.912486  14.0716     342.604     8.36113     342.604     
1 1 1 17 5  51 o 15.101  4.82808 -0.0568313   0.721247  1.24547      0.901814  10.393      239.169     0.855688    59.1692     
1 1 1 17 5  52 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 6  0  o 117.228 2.5237  25.3109      1.53034   25.3109      1.53034   162.806     90          57.5296     90          
1 1 1 17 6  1  o 91.0485 2.60454 14.8861      1.22201   15.6969      1.23093   97.9925     114.029     5.75736     294.029     
1 1 1 17 6  2  o 55.6124 3.03399 5.33106      0.863047  6.15922      0.869336  58.1779     75.0036     1.62644     75.0035     
1 1 1 17 6  3  o 249.673 2.4474  117.929      3.18253   111.565      3.15129   321.179     162.043     74.4096     162.043     
1 1 1 17 6  4  o 96.7915 2.59417 18.8032      1.31156   15.8139      1.2818    35.9328     34.4318     145.574     214.432     
1 1 1 17 6  5  o 88.6562 2.61353 15.3222      1.20851   13.7013      1.1866    83.7651     140.379     28.9071     320.379     
1 1 1 17 6  6  o 40.316  3.75123 2.02528      0.716168  4.3068       0.72745   23.2905     212.915     31.9891     32.9147     
1 1 1 17 6  7  o 57.2855 2.97682 6.75868      0.885991  5.44948      0.86356   27.7784     284.701     67.8179     104.701     
1 1 1 17 6  8  o 97.7165 2.63284 17.9974      1.3778    17.2463      1.28439   132.148     308.2       50.0755     308.2       
1 1 1 17 6  9  o 96.6833 2.66795 15.7494      1.35075   18.834       1.30541   80.6538     248.093     53.5595     68.0929     
1 1 1 17 6  10 o 55.9429 3.14717 4.87041      0.905567  6.85446      0.876418  52.8728     189.146     10.0138     9.14628     
1 1 1 17 6  11 o 75.7561 2.82776 11.8643      1.15341   9.45016      1.0575    72.1215     287.382     20.2343     107.382     
1 1 1 17 6  12 o 100.485 2.73919 19.2274      1.43766   18.1114      1.41027   113.756     213.283     5.67823     213.283     
1 1 1 17 6  13 o 65.3559 2.95948 8.45326      0.979453  7.4225       1.00941   60.9131     268.824     18.6596     88.8243     
1 1 1 17 6  14 o 86.5952 2.77139 14.1124      1.20413   13.6614      1.27489   85.7018     131.276     19.1645     311.276     
1 1 1 17 6  15 o 46.4652 3.48909 4.84785      0.803676  3.33618      0.820139  38.4632     77.8055     19.5624     257.805     
1 1 1 17 6  16 o 35.1537 4.33982 2.75844      0.751847  2.0299       0.762544  34.3672     76.5333     5.96055     76.5332     
1 1 1 17 6  17 o 84.2124 2.95689 12.86        1.32568   13.5233      1.24346   122.212     56.9978     60.7782     56.9978     
1 1 1 17 6  18 o 86.9205 2.99837 15.1321      1.36518   13.0518      1.32548   103.803     72.2919     16.0763     72.2919     
1 1 1 17 6  19 o 42.4197 3.8155  4.0665       0.793182  2.84501      0.815827  53.9061     241.175     21.8573     241.175     
1 1 1 17 6  20 o 31.8298 4.34685 1.74669      0.692157  2.22592      0.688284  18.4091     45.4357     28.0902     225.436     
1 1 1 17 6  21 o 82.9512 2.69356 13.9593      1.16546   11.7349      1.13999   82.2968     350.53      17.2064     170.53      
1 1 1 17 6  22 o 24.1952 4.68457 1.31608      0.6131    1.00846      0.601969  10.5588     262.651     4.22109     262.651     
1 1 1 17 6  23 o 17.8942 4.76955 0.579458     0.605065  0.375192     0.606146  1.61347     307.718     33.8724     307.719     
1 1 1 17 6  24 o 115.076 2.76592 26.1565      1.68036   23.4798      1.61391   116.219     1.36678     19.4255     181.367     
1 1 1 17 6  25 o 62.9842 2.93946 7.45009      0.963256  7.53148      0.945146  64.5643     298.234     6.49877     118.234     
1 1 1 17 6  26 o 27.7419 4.4885  1.53481      0.647532  1.58277      0.615509  29.5151     0.174149    6.66199     0.174149    
1 1 1 17 6  27 o 41.5879 3.5501  3.67029      0.763655  3.06143      0.732889  47.3988     202.568     7.85049     202.568     
1 1 1 17 6  28 o 33.4505 4.38864 1.70282      0.71359   2.89668      0.742054  37.3279     107.574     6.60741     107.574     
1 1 1 17 6  29 o 20.0462 5.00867 0.788942     0.643925  0.739024     0.654855  12.9995     262.223     11.7458     82.223      
1 1 1 17 6  30 o 21.9777 4.8091  0.951417     0.608495  1.03556      0.599865  24.463      244.434     10.9089     244.434     
1 1 1 17 6  31 o 42.131  4.01767 4.45067      0.910319  2.7555       0.783986  61.111      228.84      35.6902     228.84      
1 1 1 17 6  32 o 27.4661 4.69966 0.70743      0.73919   2.51293      0.711709  23.502      179.729     8.4097      359.729     
1 1 1 17 6  33 o 17.3251 4.64554 0.319082     0.590334  0.679908     0.57634   13.32       230.313     3.50665     50.3128     
1 1 1 17 6  34 o 36.9739 4.41318 3.78843      0.801838  2.04715      0.789257  48.4935     138.69      22.3949     138.69      
1 1 1 17 6  35 o 22.2248 5.12197 1.0535       0.673867  1.11626      0.681067  17.304      88.6492     8.05243     268.649     
1 1 1 17 6  36 o 20.2359 4.98091 0.688177     0.653837  1.04406      0.642913  10.9358     299.573     16.9024     119.573     
1 1 1 17 6  37 f 17.4567 4.68722 0.146094     0.643476  0.863171     0.596395  24.1739     227.208     0           0           
1 1 1 17 6  38 o 15.7149 4.61254 0.448194     0.623717  0.200789     0.617483  11.6896     129.015     2.42354     309.015     
1 1 1 17 6  39 o 20.816  4.35433 1.92334      0.677762  -0.236869    0.615173  22.3582     353.584     6.93847     353.584     
1 1 1 17 6  40 o 16.882  4.3325  1.30041      0.643043  -0.72413     0.607077  16.3058     27.9988     5.89365     27.9988     
1 1 1 17 6  41 o 15.0655 4.48967 -0.0281032   0.609637  0.606147     0.624363  2.00307     195.089     24.0638     15.0889     
1 1 1 17 6  42 o 15.2176 4.63912 0.567883     0.682185  0.0200345    0.672488  10.96       321.175     3.48925     141.175     
1 1 1 17 6  43 f 37.6665 4.5298  3.00126      0.82123   3.83743      0.881595  34.5717     171.052     0           0           
1 1 1 17 6  44 o 12.8726 4.21122 0.0754038    0.673416  -0.257483    0.656908  6.80592     36.7623     3.07602     216.762     
1 1 1 17 6  45 o 18.9925 5.40946 1.27111      0.842119  0.895824     0.799882  8.28947     89.5158     5.66277     89.5158     
1 1 1 17 6  46 o 18.2699 5.02312 1.31771      0.714153  0.585211     0.700249  17.2833     130.577     6.32256     130.577     
1 1 1 17 6  47 o 17.9368 4.93115 0.136839     0.731207  1.58804      0.74417   13.2721     4.34292     7.18731     4.34292     
1 1 1 17 6  48 o 16.0826 4.92436 0.360655     0.722323  1.02805      0.802248  10.7555     115.55      0.308302    295.55      
1 1 1 17 6  49 o 14.0298 4.53871 0.332304     0.784985  0.256611     0.695391  6.97142     70.578      0.0351763   70.5774     
1 1 1 17 6  50 o 11.3654 3.94409 -0.977253    0.836808  -0.338192    0.77342   2.87762     65.6806     1.36959     245.681     
1 1 1 17 6  51 o 13.1554 4.32143 0.0666552    0.730384  0.272315     0.693325  6.30496     207.552     1.12879     207.552     
1 1 1 17 7  0  o 137.826 2.44695 34.9569      1.74569   34.9569      1.74569   160.211     270         6.2919      270         
1 1 1 17 7  1  o 141.05  2.52036 37.817       1.89567   35.5167      1.78733   142.304     217.906     33.0361     37.9055     
1 1 1 17 7  2  o 33.7689 4.16104 1.44007      0.687278  3.03593      0.678579  19.4397     266.04      8.9694      86.0399     
1 1 1 17 7  3  o 104.229 2.60349 20.3135      1.44851   19.7621      1.3599    122.449     144.599     13.6939     144.599     
1 1 1 17 7  4  o 240.555 2.5336  105.768      3.25477   107.391      3.05895   321.41      354.388     98.1228     354.388     
1 1 1 17 7  5  o 94.0731 2.74387 15.5613      1.33281   17.1437      1.33514   116.42      109.147     26.3573     109.147     
1 1 1 17 7  6  o 139.486 2.54233 34.9983      1.79008   36.7524      1.88354   153.672     327.951     5.58461     147.95      
1 1 1 17 7  7  o 69.7989 2.80628 10.3622      1.0272    7.76441      0.984347  58.3556     280.138     34.419      100.138     
1 1 1 17 7  8  o 58.0546 3.09997 6.09871      0.904845  6.43027      0.947276  56.3083     136.832     8.11023     316.832     
1 1 1 17 7  9  f 76.3442 2.81762 11.1315      1.0878    10.4491      1.13173   105.128     331.24      0           0           
1 1 1 17 7  10 o 110.996 2.51792 23.1083      1.45673   22.3716      1.4369    91.3711     24.24       64.5881     204.24      
1 1 1 17 7  11 o 38.3258 3.72151 3.0568       0.732123  2.51297      0.70403   17.9392     291.88      39.8622     111.88      
1 1 1 17 7  12 o 98.6602 2.58086 17.9753      1.32288   18.0052      1.31232   113.537     68.0985     9.44156     68.0985     
1 1 1 17 7  13 o 85.1755 2.68314 12.8124      1.18241   14.0647      1.17873   118.948     289.494     53.2941     289.494     
1 1 1 17 7  14 o 134.213 2.48934 33.6549      1.73555   32.9218      1.7251    159.074     339.565     19.1748     339.565     
1 1 1 17 7  15 o 78.5224 2.95841 11.7328      1.24041   11.1974      1.15921   82.2481     17.275      7.76503     197.275     
1 1 1 17 7  16 o 69.6316 3.17115 9.40973      1.1468    8.70127      1.12944   80.3346     350.55      8.90158     350.55      
1 1 1 17 7  17 o 61.9049 3.26056 8.09837      1.05483   6.31564      1.01423   67.1652     302.813     0.0852429   122.815     
1 1 1 17 7  18 o 72.0292 3.0703  8.20755      1.0921    11.3085      1.17934   90.0769     292.392     23.3807     292.392     
1 1 1 17 7  19 o 84.3976 2.64959 14.069       1.16883   12.4577      1.14186   94.4121     311.191     3.75897     311.191     
1 1 1 17 7  20 o 22.2583 4.61988 1.1709       0.582709  0.758142     0.566854  1.71768     145.727     38.9204     325.727     
1 1 1 17 7  21 o 37.267  3.69406 2.81414      0.704132  2.52638      0.683213  45.3632     74.7411     17.7503     74.7411     
1 1 1 17 7  22 o 32.9268 3.99643 1.95054      0.651836  2.28679      0.66159   28.7357     348.306     8.48598     168.306     
1 1 1 17 7  23 o 10.5843 3.52157 -0.833895    0.535953  -0.305355    0.478775  7.50995     214.62      25.1632     214.62      
1 1 1 17 7  24 o 55.3723 3.27711 5.94216      0.942721  5.73082      0.921312  41.3155     34.172      36.4314     214.172     
1 1 1 17 7  25 f 62.8035 2.93197 7.84871      0.955335  7.08999      0.941611  78.8214     167.166     0           0           
1 1 1 17 7  26 o 74.9322 2.77577 11.7064      1.08868   9.55908      1.05452   87.9668     258.526     14.4954     258.526     
1 1 1 17 7  27 o 13.5385 4.05965 -0.328061    0.51859   0.30833      0.516022  0.280944    229.066     21.3803     49.0664     
1 1 1 17 7  28 o 21.401  4.9319  1.26675      0.670058  0.548203     0.629652  19.2558     239.13      0.394132    59.1295     
1 1 1 17 7  29 o 16.601  4.36676 0.97088      0.616707  -0.509403    0.570061  9.58361     92.0548     3.68471     92.0548     
1 1 1 17 7  30 o 38.3198 3.7025  3.44197      0.738547  2.41687      0.682875  49.3426     283.068     19.6279     283.068     
1 1 1 17 7  31 o 22.6901 4.68454 1.68856      0.649882  0.375205     0.656806  24.3832     89.6098     6.41122     89.6098     
1 1 1 17 7  32 o 13.3266 4.14487 -0.65231     0.604051  0.261433     0.57513   3.35355     229.506     16.032      49.5059     
1 1 1 17 7  33 o 14.1011 4.24924 -0.00932592  0.565789  0.210187     0.534268  6.50905     42.0564     10.3592     222.056     
1 1 1 17 7  34 o 43.6594 3.63252 3.69322      0.815057  3.98172      0.795026  48.1355     111.865     6.16753     111.865     
1 1 1 17 7  35 o 15.9906 4.64561 0.491443     0.618284  0.122107     0.634251  12.0843     64.8468     1.3194      64.8468     
1 1 1 17 7  36 o 26.7869 4.77423 0.850422     0.700269  2.39984      0.724859  29.3206     127.793     6.96387     127.793     
1 1 1 17 7  37 o 16.2945 4.6319  0.246081     0.60553   0.573616     0.604629  10.3665     67.7144     7.98149     247.714     
1 1 1 17 7  38 o 26.1816 4.77133 1.93756      0.682268  1.23983      0.638804  31.214      70.2288     12.8625     70.2288     
1 1 1 17 7  39 o 11.2065 3.7229  -0.0147714   0.58513   -0.980487    0.545826  4.38333     220.72      1.35373     40.7204     
1 1 1 17 7  40 o 27.3117 4.98584 1.59226      0.694734  2.06137      0.732985  30.2537     329.3       7.98719     329.3       
1 1 1 17 7  41 o 15.2163 4.48838 -0.0933279   0.61286   0.710002     0.624428  12.4683     353.942     0.281876    353.943     
1 1 1 17 7  42 o 23.6392 5.27854 1.34642      0.736987  1.67562      0.721869  16.5454     22.742      11.9789     202.742     
1 1 1 17 7  43 o 14.7103 4.55946 0.460778     0.673562  0.110538     0.666063  7.29235     243.815     10.1013     63.8152     
1 1 1 17 7  44 o 11.27   3.85016 -1.57256     0.646216  0.0809851    0.71946   3.01036     10.1408     1.1604      190.141     
1 1 1 17 7  45 o 19.381  5.63121 1.16489      0.884894  1.28125      0.930386  17.1598     58.0675     1.67847     58.0675     
1 1 1 17 7  46 o 10.3405 3.56317 -0.602246    0.634387  -0.640138    0.598647  1.91276     14.231      9.54406     194.231     
1 1 1 17 7  47 o 12.322  4.06165 -0.362962    0.657929  0.176146     0.632044  4.64065     52.3397     6.40263     232.34      
1 1 1 17 7  48 o 14.9978 4.57067 -0.169815    0.70088   0.966851     0.687624  9.05909     142.48      0.39898     322.48      
1 1 1 17 7  49 o 12.8459 4.22216 -0.152916    0.687795  0.271442     0.679577  4.4665      142.772     0.244822    322.772     
1 1 1 17 7  50 o 17.3303 5.20124 -0.313875    0.92656   2.04199      0.936135  13.7707     56.7465     6.03793     56.7465     
1 1 1 17 7  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 8  0  o 18.2751 5.91685 0.901321     0.611161  0.901321     0.611161  2.59055     89.9999     9.50116     89.9999     
1 1 1 17 8  1  o 60.5969 3.13283 6.19594      0.935377  7.47613      1.01854   53.7246     313.676     20.6797     133.676     
1 1 1 17 8  2  o 155.152 2.67396 42.9508      2.06431   45.8467      2.23715   190.86      298.45      33.8735     298.45      
1 1 1 17 8  3  o 40.6354 4.0027  3.24239      0.735224  3.00783      0.888204  10.513      108.139     60.9108     288.139     
1 1 1 17 8  4  o 37.1338 4.03187 2.76666      0.693612  2.47594      0.796995  25.9495     267.812     7.84427     87.8118     
1 1 1 17 8  5  o 72.1275 3.00899 10.8125      1.04943   8.54222      1.16101   86.3699     133.885     19.7119     133.885     
1 1 1 17 8  6  f 58.7389 3.11313 6.65977      0.8924    6.17345      0.982231  106.693     71.2745     0           0           
1 1 1 17 8  7  o 120.357 2.61834 26.9394      1.56969   26.5528      1.69022   112.126     127.972     44.1292     307.972     
1 1 1 17 8  8  o 15.267  4.48492 0.254614     0.550616  -0.0931425   0.637372  22.742      171.309     62.4434     171.309     
1 1 1 17 8  9  o 93.2213 2.70734 16.1026      1.25004   16.0442      1.35831   121.926     38.0116     40.2165     38.0116     
1 1 1 17 8  10 o 37.5457 3.9927  2.67577      0.698499  2.6903       0.803556  32.085      113.482     13.2168     113.482     
1 1 1 17 8  11 o 21.3781 4.96137 0.730507     0.601012  0.935956     0.670503  0.177882    244.918     25.8774     244.918     
1 1 1 17 8  12 o 97.201  2.58784 17.5681      1.31262   17.3953      1.29048   87.6588     127.231     39.9482     307.231     
1 1 1 17 8  13 o 51.1415 3.52051 4.67999      0.913983  5.15527      0.927703  29.5395     291.867     50.9359     111.867     
1 1 1 17 8  14 o 31.4164 4.5304  1.45797      0.718667  2.42898      0.706998  12.5169     134.124     38.4196     314.124     
1 1 1 17 8  15 o 12.6351 4.01801 -0.252745    0.558286  -0.244569    0.543369  8.58687     18.8107     31.409      18.8107     
1 1 1 17 8  16 o 57.5634 3.33333 6.93524      1.00957   5.5498       0.957399  62.4734     283.382     0.796043    283.382     
1 1 1 17 8  17 o 22.8694 4.66763 0.79798      0.596676  1.22996      0.588083  7.55017     217.092     26.9804     37.0919     
1 1 1 17 8  18 o 24.5256 4.30841 0.56918      0.590938  1.79045      0.576988  18.5823     336.034     2.50858     336.034     
1 1 1 17 8  19 f 50.2137 3.11496 4.42425      0.801065  5.0843       0.800552  62.1173     329.656     0           0           
1 1 1 17 8  20 o 39.5435 3.6543  2.2647       0.699668  3.82828      0.722218  44.6533     184.672     9.0123      184.672     
1 1 1 17 8  21 o 19.464  4.49319 1.11617      0.582115  0.211332     0.542127  4.00526     301.583     25.4593     121.583     
1 1 1 17 8  22 o 34.4778 3.95414 1.76696      0.667982  2.94088      0.669047  42.8552     28.7395     30.4023     28.7395     
1 1 1 17 8  23 o 62.8197 3.02549 7.26189      1.02343   7.66534      0.928955  72.3916     165.935     10.0371     165.935     
1 1 1 17 8  24 o 23.9346 4.7329  1.42067      0.643773  0.913495     0.589106  10.4383     229.635     26.2614     49.6346     
1 1 1 17 8  25 o 31.8557 4.27939 2.70327      0.678676  1.44476      0.672105  23.2169     168.063     19.2749     348.063     
1 1 1 17 8  26 o 64.4691 2.89788 7.92737      0.964934  7.87548      0.961873  83.3953     347.606     29.1588     347.606     
1 1 1 17 8  27 o 11.9433 3.82352 -0.794616    0.551972  0.0552616    0.52228   2.55811     214.409     24.3968     214.409     
1 1 1 17 8  28 o 13.1326 4.1075  -0.21512     0.554036  0.00388594   0.553321  2.98628     208.362     0.819049    28.3617     
1 1 1 17 8  29 o 30.5631 4.46401 1.6341       0.709762  2.22946      0.656418  20.5293     139.712     22.1534     319.712     
1 1 1 17 8  30 o 36.0909 3.96432 2.66311      0.730728  2.58319      0.704463  29.3289     104.687     16.4488     284.687     
1 1 1 17 8  31 o 48.6463 3.53777 5.30275      0.864118  4.0854       0.876692  72.3316     314.475     44.263      314.475     
1 1 1 17 8  32 o 37.6372 4.32004 2.898        0.833811  2.98221      0.792533  32.9999     180.499     11.7103     0.498788    
1 1 1 17 8  33 o 34.7742 4.14325 2.46664      0.713775  2.55146      0.726887  29.4012     185.318     12.4408     5.31758     
1 1 1 17 8  34 o 43.9628 3.59447 3.75387      0.814829  4.04815      0.790236  45.0878     244.112     0.40868     64.1118     
1 1 1 17 8  35 o 31.0999 4.54494 1.90461      0.70891   2.29669      0.708214  27.8132     230.798     6.7613      50.7977     
1 1 1 17 8  36 o 13.0958 4.16171 -0.392359    0.571257  0.124396     0.621758  6.85064     201.843     5.11205     21.8431     
1 1 1 17 8  37 o 17.6579 4.88931 0.0995551    0.683753  0.951144     0.688256  16.4605     267.88      5.92158     267.88      
1 1 1 17 8  38 o 26.1211 4.5802  2.60036      0.725088  0.632812     0.659345  25.4613     248.462     0.120436    248.462     
1 1 1 17 8  39 o 20.17   4.92349 0.975817     0.627012  0.960577     0.623225  14.186      300.717     10.7075     300.717     
1 1 1 17 8  40 o 13.9846 4.38706 0.234834     0.618284  -0.0509209   0.65953   6.85242     274.129     10.6524     94.1293     
1 1 1 17 8  41 o 10.1875 3.51363 -0.999412    0.560231  -0.533246    0.631051  2.55053     139.241     1.50131     319.241     
1 1 1 17 8  42 o 13.3106 4.14583 -1.0722      0.654373  0.634539     0.622128  6.83433     72.9787     7.31693     252.979     
1 1 1 17 8  43 o 17.1209 5.0371  1.11546      0.800105  0.257951     0.711553  11.6041     106.842     6.07093     286.842     
1 1 1 17 8  44 o 13.1789 4.3734  -0.429405    0.78488   0.106495     0.746892  6.61507     344.065     0.460925    344.065     
1 1 1 17 8  45 o 11.2361 3.81176 -0.629186    0.64975   -0.237132    0.637915  1.22807     47.3561     0.164627    227.356     
1 1 1 17 8  46 o 23.574  5.44763 1.80224      0.775308  1.7508       0.756629  22.4765     217.453     3.22724     217.453     
1 1 1 17 8  47 o 11.1401 3.76948 -0.641395    0.644304  -0.107309    0.607589  1.25371     133.233     1.36544     313.233     
1 1 1 17 8  48 o 10.98   3.73794 -0.180607    0.632984  -0.635386    0.628957  2.5764      125.451     3.82857     305.451     
1 1 1 17 8  49 o 17.9037 5.19084 1.51529      0.79144   0.68545      0.813016  14.9857     117.948     6.05699     117.948     
1 1 1 17 8  50 o 14.0961 4.6905  0.337059     0.896525  0.240226     0.865032  8.87069     183.583     0.614218    183.583     
1 1 1 17 9  0  o 32.3113 5.03961 2.18797      0.73837   2.18797      0.73837   14.0758     270         39.0481     90          
1 1 1 17 9  1  o 42.6485 3.70179 4.009        0.735887  2.88871      0.82457   42.0255     22.8309     16.5297     22.8309     
1 1 1 17 9  2  f 177.25  2.64948 58.5258      2.43118   57.4239      2.43723   191.247     337.335     0           0           
1 1 1 17 9  3  o 159.253 2.64643 47.2281      2.17505   46.3793      2.19387   184.354     135.848     12.3524     135.848     
1 1 1 17 9  4  o 61.6117 3.26779 7.8168       1.07327   6.36054      0.996668  54.0022     253.713     23.4854     73.7129     
1 1 1 17 9  5  o 29.7412 4.5755  2.83895      0.747187  0.712545     0.704954  1.43432     103.461     52.2986     283.461     
1 1 1 17 9  6  o 116.14  2.8275  26.5816      1.76499   23.387       1.63496   152.645     347.334     48.5172     347.334     
1 1 1 17 9  7  o 42.4256 3.91652 3.29102      0.854064  3.52658      0.824824  42.3379     173.589     3.7723      173.589     
1 1 1 17 9  8  o 13.9236 4.26762 0.135651     0.568847  -0.389978    0.598714  4.25796     206.844     12.8146     206.844     
1 1 1 17 9  9  o 36.4084 4.40995 3.23511      0.764175  1.93704      0.806563  15.7667     107.604     42.0481     287.604     
1 1 1 17 9  10 o 50.695  3.68447 4.03232      0.914229  5.71746      0.979747  42.6542     353.651     22.0885     173.651     
1 1 1 17 9  11 o 99.1506 3.37067 19.3481      1.66389   17.3419      1.77783   106.011     146.929     7.12522     326.929     
1 1 1 17 9  12 o 82.6769 3.50328 12.8577      1.43181   12.7243      1.55364   89.56       51.357      2.56225     231.357     
1 1 1 17 9  13 o 60.162  3.50705 7.12445      1.03124   6.48553      1.12689   65.7956     167.204     1.37114     167.204     
1 1 1 17 9  14 o 80.9394 3.2217  12.5444      1.27112   11.9534      1.4128    102.987     47.3936     28.9574     47.3935     
1 1 1 17 9  15 o 108.55  2.73256 22.1002      1.53289   21.7073      1.53717   140.954     226.587     42.7556     226.587     
1 1 1 17 9  16 o 59.7984 2.9098  6.81584      0.905625  6.5604       0.887289  77.8764     7.80361     27.9816     7.80361     
1 1 1 17 9  17 o 9.95118 3.33735 -0.787873    0.471255  -0.375706    0.463902  16.637      328.655     44.9477     328.655     
1 1 1 17 9  18 o 31.2211 4.14116 1.37933      0.640681  2.49742      0.637856  21.2469     160.921     20.1998     340.921     
1 1 1 17 9  19 o 28.4444 4.21856 1.47619      0.607087  1.72084      0.597262  20.8283     12.4011     13.3597     192.401     
1 1 1 17 9  20 o 25.3909 4.51831 1.1969       0.60874   1.38041      0.581913  11.4469     153.077     26.4211     333.077     
1 1 1 17 9  21 o 27.5241 4.28714 1.24123      0.604094  1.79141      0.590751  1.78544     300.678     52.8744     120.678     
1 1 1 17 9  22 o 17.1213 3.83067 1.1878       0.532604  -0.668938    0.496622  6.32669     204.058     2.37451     24.0584     
1 1 1 17 9  23 o 50.0944 3.30512 5.4177       0.900165  4.22883      0.796076  43.9561     96.3793     18.8532     276.379     
1 1 1 17 9  24 o 46.0073 3.54459 4.42425      0.852276  3.78688      0.809571  47.8392     51.8633     1.48926     231.863     
1 1 1 17 9  25 o 75.5685 3.04498 11.7106      1.17089   10.0921      1.1968    88.8304     154.69      15.4628     154.69      
1 1 1 17 9  26 o 72.4156 3.14509 10.5523      1.19687   9.57032      1.15248   86.4834     80.6742     18.074      80.6742     
1 1 1 17 9  27 o 17.4592 4.62798 0.789208     0.597243  0.129995     0.585131  9.98986     296.458     11.8797     116.458     
1 1 1 17 9  28 o 30.4985 4.35552 2.51183      0.704597  1.37373      0.630423  38.8504     58.1882     17.0638     58.1882     
1 1 1 17 9  29 o 38.2409 3.70673 2.72823      0.731217  3.08934      0.692597  48.2816     152.296     17.9195     152.296     
1 1 1 17 9  30 o 10.7426 3.55766 -0.76182     0.508073  -0.200914    0.504162  0.837009    182.464     13.5211     2.46445     
1 1 1 17 9  31 o 28.3574 4.68084 1.31841      0.653976  2.16112      0.711684  24.134      299.812     8.79455     119.812     
1 1 1 17 9  32 o 25.0832 5.02899 1.37758      0.703246  1.39871      0.665064  24.7596     204.106     1.01808     204.106     
1 1 1 17 9  33 f 43.6359 3.59376 3.9726       0.809295  3.70635      0.785909  50.3746     13.0549     0           0           
1 1 1 17 9  34 o 25.7214 4.16092 0.19209      0.637751  2.67834      0.670229  24.7017     156.924     0.82334     336.923     
1 1 1 17 9  35 o 20.2564 4.57144 0.260789     0.59872   1.41319      0.609911  21.7173     60.6533     9.61322     60.6533     
1 1 1 17 9  36 o 31.802  4.68267 2.2083       0.755738  2.31666      0.737792  27.125      123.142     9.41079     303.142     
1 1 1 17 9  37 o 14.8779 4.54261 -0.235694    0.574186  0.566134     0.725002  8.59124     197.806     8.49069     17.8059     
1 1 1 17 9  38 o 22.2857 5.35652 1.02261      0.751254  1.44945      0.745676  18.1868     176.174     5.87627     356.174     
1 1 1 17 9  39 o 11.5454 3.79323 0.0313541    0.568687  -0.685048    0.549409  6.01657     355.53      3.61962     175.53      
1 1 1 17 9  40 o 16.8938 4.8315  0.861298     0.709169  0.338045     0.612631  8.4048      168.548     14.1664     348.548     
1 1 1 17 9  41 f 15.7198 4.62109 0.332455     0.646256  0.587325     0.607789  13.1578     239.654     0           0           
1 1 1 17 9  42 o 11.66   3.88974 -0.245413    0.627122  -0.352092    0.597621  4.36485     182.943     2.19158     2.94306     
1 1 1 17 9  43 o 17.4301 5.03697 0.708015     0.716618  0.883639     0.728171  12.8722     294.431     3.83306     114.431     
1 1 1 17 9  44 o 12.3577 4.127   -0.439656    0.712695  -0.0300744   0.684676  6.25491     329.265     3.51893     149.264     
1 1 1 17 9  45 o 14.1399 4.51976 -0.0575796   0.676771  0.571042     0.746959  6.09359     304.726     10.6363     124.726     
1 1 1 17 9  46 o 15.5078 4.66517 0.569766     0.665029  0.612687     0.648492  9.58601     88.0126     4.08438     268.013     
1 1 1 17 9  47 o 11.2451 3.78266 -0.70736     0.621778  0.031929     0.607966  2.75942     210.049     3.98883     30.0495     
1 1 1 17 9  48 o 19.598  5.28978 1.16862      0.757852  1.49543      0.749382  15.5973     140.891     9.45692     140.891     
1 1 1 17 9  49 o 12.3687 4.13336 0.771995     0.767441  -1.71299     0.725168  5.50517     201.296     5.75006     21.2958     
1 1 1 17 9  50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 10 0  o 49.27   4.16851 4.67745      1.02437   4.67745      1.02437   33.8418     270         43.1162     90          
1 1 1 17 10 1  o 152.808 2.82335 44.0303      2.33239   42.4037      2.13516   201.454     14.5252     62.6091     14.5252     
1 1 1 17 10 2  f 95.3999 2.98616 16.6271      1.54839   17.141       1.39034   141.048     153.88      0           0           
1 1 1 17 10 3  o 35.0668 4.28359 2.40478      0.743133  2.32215      0.757464  17.2083     62.1281     34.7131     242.128     
1 1 1 17 10 4  o 54.9817 3.30722 5.72558      0.92024   5.57764      0.946269  41.2481     59.3103     35.0976     239.31      
1 1 1 17 10 5  o 119.102 2.5926  26.4858      1.65873   25.9857      1.53735   150.966     80.7583     38.2109     80.7583     
1 1 1 17 10 6  o 68.3619 2.99755 8.34272      1.07972   9.05158      1.02995   71.786      17.9189     4.50355     197.919     
1 1 1 17 10 7  o 65.0535 3.07711 8.3237       1.08498   7.45928      0.97911   60.0753     55.9696     21.0227     235.97      
1 1 1 17 10 8  o 60.2256 3.3059  7.03629      1.11814   6.53876      0.926144  65.2539     282.05      1.10466     282.05      
1 1 1 17 10 9  o 43.574  3.86539 3.54108      0.894567  3.67065      0.807954  32.9862     321.579     25.9974     141.579     
1 1 1 17 10 10 f 102.206 3.01135 21.554       1.69229   17.4337      1.49297   123.371     76.229      0           0           
1 1 1 17 10 11 o 39.1385 4.32614 2.75758      0.912838  3.15231      0.764057  43.5257     260.282     7.88563     260.282     
1 1 1 17 10 12 o 36.9124 4.60289 3.41349      0.910613  1.98437      0.781279  23.5937     295.641     29.7117     115.641     
1 1 1 17 10 13 o 70.4016 3.25127 9.89008      1.18796   8.70896      1.16928   64.0733     310.878     25.5587     130.878     
1 1 1 17 10 14 o 19.2163 4.61922 1.13659      0.622605  -0.0843765   0.624022  1.86308     291.055     28.6335     111.055     
1 1 1 17 10 15 o 134.191 2.87812 34.848       1.99449   32.3388      2.00235   157.242     70.5355     18.8562     70.5356     
1 1 1 17 10 16 o 28.2462 4.72603 2.05211      0.681422  1.14018      0.706175  26.5101     14.4861     3.47241     14.4861     
1 1 1 17 10 17 o 22.9212 4.73455 0.811012     0.574997  1.26393      0.63186   15.4939     113.039     2.72045     293.039     
1 1 1 17 10 18 o 111.082 2.61053 22.7936      1.47251   23.2502      1.52952   129.8       329.691     16.9738     329.691     
1 1 1 17 10 19 o 67.5126 3.00155 8.89623      0.996562  8.28063      1.08663   80.9696     185.876     16.9046     185.876     
1 1 1 17 10 20 o 28.1851 4.1981  1.80305      0.606777  1.37137      0.58261   25.0669     289.837     4.34306     109.837     
1 1 1 17 10 21 o 39.0073 3.64919 2.30857      0.699783  3.66534      0.70368   56.4052     217.438     37.5562     217.438     
1 1 1 17 10 22 o 18.1316 4.48813 0.314771     0.538843  0.820463     0.53657   10.3191     228.243     0.382983    228.243     
1 1 1 17 10 23 o 38.595  3.61835 2.66422      0.709625  3.15936      0.695415  40.8294     202.43      1.45151     202.43      
1 1 1 17 10 24 o 34.889  4.36215 2.11846      0.771514  2.81912      0.736898  38.6133     151.457     5.90322     151.457     
1 1 1 17 10 25 o 30.5157 4.6607  1.34877      0.703882  2.56539      0.743733  32.6265     232.796     3.87931     232.796     
1 1 1 17 10 26 o 28.1274 4.56131 2.06058      0.668939  1.24346      0.647122  36.9527     97.3577     20.699      97.3577     
1 1 1 17 10 27 f 12.3352 3.85484 0.21725      0.523371  -0.734556    0.517863  12.7216     294.66      0           0           
1 1 1 17 10 28 o 30.5279 4.21364 2.43733      0.653999  1.43624      0.628969  26.8131     48.9296     8.77441     228.93      
1 1 1 17 10 29 o 26.5931 4.57535 1.00318      0.646438  2.01487      0.642415  16.9696     228.054     19.8718     48.0538     
1 1 1 17 10 30 o 14.6458 4.26565 0.483654     0.560829  -0.150571    0.52518   8.81849     74.1232     0.937669    74.1232     
1 1 1 17 10 31 o 24.2262 5.15615 1.24924      0.723337  1.34666      0.679989  12.1223     315.749     23.9581     135.749     
1 1 1 17 10 32 o 22.2753 5.06741 1.31418      0.687911  0.86375      0.655592  19.9731     113.196     2.02363     293.196     
1 1 1 17 10 33 o 24.6983 4.78262 0.333731     0.613479  2.47106      0.826456  25.0756     216.038     3.01994     216.038     
1 1 1 17 10 34 o 52.6991 3.48965 6.46381      1.00274   4.82017      0.8796    55.2326     161.633     2.11657     161.633     
1 1 1 17 10 35 o 19.3622 4.91859 0.8481       0.653235  0.775519     0.603713  18.3656     276.962     2.73695     276.962     
1 1 1 17 10 36 o 13.3087 4.19084 0.239497     0.63924   -0.291648    0.533433  4.34492     147.216     14.3475     327.216     
1 1 1 17 10 37 o 22.6955 5.0579  1.2218       0.676972  1.27743      0.653295  23.6463     313.847     5.18579     313.847     
1 1 1 17 10 38 f 11.9608 3.9167  -0.0351787   0.565432  -0.525026    0.606272  11.4328     106.369     0           0           
1 1 1 17 10 39 o 14.8227 4.53068 0.599034     0.667346  -0.207424    0.659386  7.25451     191.328     11.7422     11.3282     
1 1 1 17 10 40 f 13.7586 4.2786  0.387708     0.618052  -0.108304    0.576981  3.77614     242.064     0           0           
1 1 1 17 10 41 o 30.1382 5.07299 3.29834      0.832187  1.60985      0.800604  27.322      188.866     3.28233     8.86558     
1 1 1 17 10 42 f 18.0695 4.90952 1.47053      0.746673  0.162448     0.653355  16.4598     56.6926     0           0           
1 1 1 17 10 43 o 16.6907 4.8952  0.972255     0.733781  0.418229     0.670091  14.0863     270.839     3.84107     270.839     
1 1 1 17 10 44 o 17.2909 4.7306  -0.261047    0.722504  1.52372      0.713193  12.3709     71.3239     4.58561     251.324     
1 1 1 17 10 45 o 12.8228 4.19623 -0.293282    0.675203  0.26931      0.66263   5.77797     333.844     3.52307     153.844     
1 1 1 17 10 46 o 12.7236 4.13829 0.454758     0.648929  -0.57697     0.664636  4.5929      156.447     7.43747     336.447     
1 1 1 17 10 47 o 11.7732 3.92403 -0.656654    0.654893  0.196846     0.625592  4.06668     220.343     4.55945     40.3431     
1 1 1 17 10 48 o 10.9915 3.73887 -0.544895    0.66671   -0.162298    0.598739  2.87231     126.423     1.90472     306.423     
1 1 1 17 10 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 11 0  f 81.2966 3.91713 12.4065      1.63283   12.4065      1.63283   38.5582     90          0           0           
1 1 1 17 11 1  o 60.2507 4.07151 6.7027       1.33994   7.02504      1.15815   29.4547     87.2789     72.525      267.279     
1 1 1 17 11 2  o 26.598  5.61073 1.5356       0.93286   1.22763      0.732186  12.4192     6.04222     23.6234     186.042     
1 1 1 17 11 3  o 136.69  2.98629 32.4457      2.21546   37.0417      1.98096   167.904     30.7365     32.4946     30.7364     
1 1 1 17 11 4  o 85.3475 2.94044 11.9489      1.27131   15.2453      1.31221   99.6084     358.856     11.8973     358.856     
1 1 1 17 11 5  o 81.8067 2.9415  11.9178      1.23404   13.0008      1.25132   85.7784     3.97985     8.16401     183.98      
1 1 1 17 11 6  o 48.1387 3.46686 4.80893      0.853781  3.94605      0.845351  39.8659     8.17335     23.3473     188.173     
1 1 1 17 11 7  o 64.0096 3.13916 9.02954      1.04363   6.40263      1.00757   71.6548     348.842     4.57705     348.842     
1 1 1 17 11 8  o 12.1228 3.76616 0.225536     0.525136  -0.835425    0.464363  14.1145     204.09      44.5538     204.09      
1 1 1 17 11 9  o 85.338  2.86479 14.8224      1.30957   12.3581      1.21652   100.521     28.4911     14.1448     28.4911     
1 1 1 17 11 10 f 21.9032 4.68582 0.937361     0.595036  0.910098     0.559665  44.0046     41.8122     0           0           
1 1 1 17 11 11 o 72.7822 2.87883 9.2568       1.08079   10.5379      1.07893   71.1458     110.491     16.3482     290.491     
1 1 1 17 11 12 o 44.3189 3.27137 3.96947      0.746157  3.46373      0.732559  44.9234     26.7295     2.9831      206.73      
1 1 1 17 11 13 o 18.4715 4.54349 0.530971     0.543297  0.656287     0.525336  5.75446     25.3731     10.1422     205.373     
1 1 1 17 11 14 o 65.4782 2.95442 8.26934      1.05193   7.81006      0.942499  73.8538     258.174     6.71257     258.174     
1 1 1 17 11 15 o 48.9412 3.25585 4.2986       0.852242  4.77614      0.770334  71.4144     206.724     44.0484     206.724     
1 1 1 17 11 16 o 15.7183 4.36773 0.558451     0.542777  -0.114956    0.557132  0.666194    78.6287     18.4569     258.629     
1 1 1 17 11 17 o 51.5997 3.3304  5.25332      0.880785  4.87255      0.880047  54.6253     29.4419     0.110272    209.442     
1 1 1 17 11 18 f 15.4204 4.3369  0.564118     0.558485  -0.210284    0.548088  22.1575     52.5974     0           0           
1 1 1 17 11 19 o 30.1085 4.42967 1.60213      0.657735  2.04719      0.680937  32.8168     89.7966     7.98759     89.7966     
1 1 1 17 11 20 o 31.7529 4.19845 1.79581      0.630324  2.23669      0.701912  34.2808     257.22      5.45231     257.22      
1 1 1 17 11 21 o 17.9232 4.55524 0.751706     0.564527  0.353867     0.530942  7.25493     129.076     17.3697     309.076     
1 1 1 17 11 22 o 30.5816 4.5139  2.08369      0.710593  1.73871      0.675071  22.0043     0.246143    18.6773     180.246     
1 1 1 17 11 23 o 14.0106 4.14388 0.34935      0.52835   -0.204895    0.514415  2.8562      213.552     0.831451    33.5516     
1 1 1 17 11 24 o 46.9169 3.86285 3.98922      0.908462  4.71293      0.93078   50.3229     334.392     1.90738     334.392     
1 1 1 17 11 25 o 16.3517 4.31657 -0.311124    0.528325  0.89009      0.588616  12.4062     165.634     3.05349     165.634     
1 1 1 17 11 26 o 19.3673 4.48474 0.127799     0.576966  1.20488      0.581744  9.07277     77.9124     19.558      257.912     
1 1 1 17 11 27 o 14.7333 4.26136 0.0790754    0.529249  0.345187     0.51526   9.56369     234.362     1.92693     54.362      
1 1 1 17 11 28 o 14.2985 4.19036 -0.397286    0.537267  0.511074     0.559595  7.58432     41.3873     7.94603     221.387     
1 1 1 17 11 29 o 22.7164 5.00045 1.06278      0.618487  1.17014      0.684825  9.61302     281.286     25.8662     101.286     
1 1 1 17 11 30 o 28.8432 4.7764  1.75825      0.747845  1.84813      0.656655  15.2324     76.7571     28.0238     256.757     
1 1 1 17 11 31 o 18.1504 4.86336 0.318743     0.662556  0.835134     0.63136   10.6343     65.0152     12.2107     245.015     
1 1 1 17 11 32 o 20.4484 4.86755 1.47973      0.711262  0.224865     0.626833  10.1064     71.9035     19.0821     251.904     
1 1 1 17 11 33 o 9.4796  3.23728 -0.812406    0.490581  -0.521391    0.474817  0.94485     325.492     6.98215     145.492     
1 1 1 17 11 34 o 33.7603 4.34554 2.22448      0.745039  2.73419      0.713369  39.7906     38.0333     12.6542     38.0333     
1 1 1 17 11 35 o 19.6165 4.89182 0.85076      0.631038  0.875488     0.60747   15.4244     4.80994     5.5054      184.81      
1 1 1 17 11 36 o 18.3491 4.70813 1.03876      0.609771  0.400451     0.58934   17.2771     324.094     2.53512     324.094     
1 1 1 17 11 37 o 33.4767 4.53091 2.44157      0.768372  2.72278      0.7452    32.4074     194.931     1.52404     14.9314     
1 1 1 17 11 38 o 18.358  4.75961 0.27589      0.662581  1.18622      0.624785  17.4693     168.909     2.86751     168.909     
1 1 1 17 11 39 o 14.5712 4.51348 0.131351     0.626327  0.343139     0.675585  10.4755     129.018     1.26126     309.018     
1 1 1 17 11 40 o 13.4429 4.36059 0.0632183    0.669795  -0.108865    0.714096  7.8188      56.5251     0.647381    236.525     
1 1 1 17 11 41 o 26.9247 5.18518 1.94933      0.749662  2.02486      0.737221  31.6574     354.213     14.4851     354.213     
1 1 1 17 11 42 o 11.3739 3.82638 -0.0815031   0.642936  -0.641853    0.591864  4.43274     334.14      2.63631     154.14      
1 1 1 17 11 43 o 33.0732 5.00206 2.35632      0.813985  3.66502      0.861104  33.3678     122.208     3.89349     122.208     
1 1 1 17 11 44 o 14.4676 4.49382 0.919551     0.721884  -0.393979    0.65777   8.80262     297.015     2.16133     117.015     
1 1 1 17 11 45 o 18.387  4.89046 0.41164      0.716289  1.51235      0.681927  14.3087     96.0731     6.46537     96.0731     
1 1 1 17 11 46 o 10.5436 3.62024 -0.0618565   0.640081  -1.16602     0.609584  1.68597     276.794     8.50336     96.7942     
1 1 1 17 11 47 o 17.3598 5.06795 1.20354      0.737027  0.789616     0.765987  12.7787     82.9322     2.07224     262.932     
1 1 1 17 11 48 o 17.1762 4.58889 -0.411754    0.707472  1.74437      0.702472  14.9327     28.4996     4.00652     28.4996     
1 1 1 17 11 49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 12 0  o 19.5115 6.18418 1.03424      0.666844  1.03424      0.666844  8.10133     270         16.5343     90          
1 1 1 17 12 1  o 104.618 3.18309 19.549       1.72691   21.3438      1.71409   133.866     9.63648     37.8096     9.63648     
1 1 1 17 12 2  o 41.2662 4.20822 3.09747      0.878908  3.45472      0.86612   51.0988     241.142     19.4756     241.142     
1 1 1 17 12 3  o 109.446 3.1972  21.0107      1.80285   23.7777      1.8121    127.483     324.451     14.0007     324.451     
1 1 1 17 12 4  o 27.0678 4.76968 2.21633      0.77479   0.754599     0.624778  14.8489     64.5761     22.4509     244.576     
1 1 1 17 12 5  o 23.8562 4.37925 1.76683      0.618681  0.46422      0.565453  11.4746     62.1975     20.5838     242.197     
1 1 1 17 12 6  o 16.6935 4.26058 -0.0841037   0.523495  0.777139     0.516254  4.10284     185.746     34.9534     185.746     
1 1 1 17 12 7  o 61.066  3.0406  5.672        0.936669  8.43162      0.946686  76.6242     0.228141    22.6223     0.228141    
1 1 1 17 12 8  o 112.998 2.57872 24.0434      1.47478   23.412       1.54029   141.009     54.364      34.0807     54.364      
1 1 1 17 12 9  o 70.8429 2.74162 10.5405      1.01598   8.25558      0.981942  92.0215     291.384     31.4139     291.384     
1 1 1 17 12 10 o 19.1738 4.51591 0.680568     0.543276  0.667193     0.507917  2.22281     257.148     27.8718     77.148      
1 1 1 17 12 11 o 71.0656 2.72208 8.77404      0.998589  10.1125      0.995052  104.537     287.482     57.4125     287.482     
1 1 1 17 12 12 o 53.0446 2.98757 5.43796      0.82788   5.15133      0.801536  50.1034     259.741     12.837      79.7405     
1 1 1 17 12 13 o 48.3678 3.08484 4.94632      0.776784  3.92157      0.747754  49.5259     125.961     2.87842     305.961     
1 1 1 17 12 14 o 20.4463 4.38705 1.19443      0.562005  0.406749     0.501769  11.6155     319.192     5.4962      139.192     
1 1 1 17 12 15 o 14.9085 4.19461 0.358248     0.499331  0.1216       0.479241  2.75385     62.299      28.041      62.299      
1 1 1 17 12 16 o 27.7646 4.11509 2.54102      0.631781  0.672541     0.56787   14.5626     326.772     26.5881     146.772     
1 1 1 17 12 17 o 31.6623 4.18619 1.70333      0.693317  2.29257      0.618483  19.7127     194.162     25.5048     14.162      
1 1 1 17 12 18 o 34.3711 4.10803 3.94818      0.747885  1.10177      0.622377  44.1806     5.06258     21.1638     5.06258     
1 1 1 17 12 19 o 37.6324 3.88946 2.48189      0.716387  3.10353      0.752069  40.7457     255.032     3.88313     255.032     
1 1 1 17 12 20 o 39.1848 3.97526 2.79424      0.783753  3.28433      0.779445  42.7437     206.64      4.2812      206.64      
1 1 1 17 12 21 o 32.0986 4.50239 2.56849      0.732877  1.67469      0.711404  19.0279     215.682     28.4361     35.6819     
1 1 1 17 12 22 o 37.7104 3.96417 2.98707      0.73061   2.67771      0.766833  36.1701     201.293     6.10785     21.2925     
1 1 1 17 12 23 o 15.6359 4.17186 0.780408     0.537224  -0.354161    0.521649  5.90839     330.635     16.5159     150.635     
1 1 1 17 12 24 o 22.7139 5.45413 0.387158     0.635287  1.7886       0.962892  24.1657     7.32404     6.96235     7.32405     
1 1 1 17 12 25 o 31.5227 4.54528 1.16962      0.706611  3.10643      0.751359  30.3623     36.8621     3.48391     216.862     
1 1 1 17 12 26 o 28.4901 4.58472 1.52012      0.716756  1.89249      0.611529  28.0347     299.352     0.955188    119.352     
1 1 1 17 12 27 o 29.6591 4.21435 3.22452      0.716355  0.701244     0.603669  36.9718     155.716     15.7616     155.716     
1 1 1 17 12 28 o 20.309  4.1812  -0.308066    0.623419  1.63053      0.592865  20.849      234.387     5.68735     234.387     
1 1 1 17 12 29 o 51.6243 3.35121 5.63886      0.90275   4.9268       0.869329  59.8698     174.972     12.9457     174.972     
1 1 1 17 12 30 o 19.7524 4.4247  0.122857     0.58193   1.36367      0.583588  11.6459     133.492     14.3209     313.492     
1 1 1 17 12 31 o 17.5223 4.87379 0.614563     0.673134  0.444201     0.625554  2.6076      308.625     28.0691     128.625     
1 1 1 17 12 32 o 19.4607 4.92579 1.29633      0.701737  0.140552     0.676442  11.181      157.807     14.306      337.807     
1 1 1 17 12 33 o 21.6751 4.9419  0.921293     0.662621  1.21706      0.616111  17.433      8.66215     6.15214     188.662     
1 1 1 17 12 34 o 17.6549 4.73568 0.881793     0.628208  0.350856     0.591696  16.0286     37.7138     2.07263     37.7138     
1 1 1 17 12 35 o 17.5998 4.64925 0.982775     0.605493  0.242538     0.596653  15.3034     228.692     0.179247    48.692      
1 1 1 17 12 36 o 16.5209 4.70157 0.573291     0.623166  0.474088     0.61245   12.8628     209.034     3.04971     29.0344     
1 1 1 17 12 37 o 8.73416 3.05884 -0.668404    0.522585  -1.33279     0.504161  0.72194     157.908     9.67889     337.908     
1 1 1 17 12 38 o 17.1344 4.6773  0.274391     0.62347   0.976069     0.613243  12.5211     201.753     5.04207     21.7533     
1 1 1 17 12 39 o 12.3549 4.03518 -0.135641    0.616571  -0.111266    0.593658  6.07384     84.8324     3.65613     264.832     
1 1 1 17 12 40 o 13.1685 4.22688 -0.979076    0.597257  0.673315     0.724941  4.101       186.108     13.3596     6.10775     
1 1 1 17 12 41 o 30.0611 5.26069 1.67766      0.847154  3.55911      0.885453  34.2252     151.488     12.4335     151.488     
1 1 1 17 12 42 o 18.1322 4.9858  1.33572      0.72144   0.51214      0.673379  15.1978     24.9373     8.65228     24.9373     
1 1 1 17 12 43 o 16.4005 4.82786 0.928561     0.692181  0.477353     0.68458   9.68333     120.727     7.72387     300.727     
1 1 1 17 12 44 o 14.5079 4.56699 0.566356     0.721591  0.215993     0.664921  6.28581     353.459     9.53364     173.459     
1 1 1 17 12 45 o 11.4776 3.79573 -1.31516     0.613801  0.411872     0.608681  3.30057     72.1728     3.85319     252.173     
1 1 1 17 12 46 o 17.4238 4.94767 1.34977      0.728969  0.571296     0.672017  14.1841     66.4235     5.13231     66.4235     
1 1 1 17 12 47 o 18.1296 4.85537 1.94693      0.76744   -0.0657606   0.727988  15.0256     146.191     8.60147     146.191     
1 1 1 17 12 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 13 0  o 57.2894 2.90673 6.15754      0.852784  6.15754      0.852784  27.7455     90          71.0988     270         
1 1 1 17 13 1  o 134.769 2.46506 33.7082      1.71842   33.7274      1.72281   166.678     175.919     37.4601     175.919     
1 1 1 17 13 2  o 17.537  4.46135 0.619862     0.501875  0.364856     0.546224  3.41179     24.0942     15.3378     204.094     
1 1 1 17 13 3  o 96.4952 2.82824 18.1781      1.42339   16.5876      1.39854   113.942     136.533     17.3189     136.533     
1 1 1 17 13 4  o 41.2662 3.76559 2.77903      0.780454  3.77979      0.772939  25.9005     355.319     35.0974     175.319     
1 1 1 17 13 5  o 17.1031 4.46946 0.133266     0.605254  0.647673     0.495602  0.258847    14.6973     24.8983     194.697     
1 1 1 17 13 6  o 33.2284 3.69242 1.96718      0.613162  2.29621      0.614165  33.3493     84.0415     1.78834     84.0415     
1 1 1 17 13 7  o 58.1948 2.84254 6.18109      0.852584  6.51473      0.851289  81.7286     172.142     41.2799     172.142     
1 1 1 17 13 8  o 31.5231 3.9147  2.29         0.630384  1.60712      0.597441  32.0941     294.018     4.43878     294.018     
1 1 1 17 13 9  o 26.3392 4.15839 0.912127     0.560738  1.86834      0.566034  15.6368     100.554     19.1513     280.554     
1 1 1 17 13 10 o 31.9311 4.00348 1.52556      0.633147  2.51325      0.626506  33.9414     52.5326     7.04881     52.5326     
1 1 1 17 13 11 o 20.6454 4.30514 0.506062     0.526751  1.12326      0.501813  11.4766     145.018     0.410828    325.018     
1 1 1 17 13 12 o 16.3284 4.33734 0.439602     0.505809  0.364531     0.489983  3.54254     337.195     4.88391     157.195     
1 1 1 17 13 13 o 74.6326 2.70632 10.434       1.04529   10.4669      1.04166   90.9057     64.1837     21.4283     64.1837     
1 1 1 17 13 14 o 16.1043 4.2526  0.594379     0.498913  0.161293     0.480756  4.18047     131.849     14.7661     311.849     
1 1 1 17 13 15 o 51.8281 3.01599 4.90405      0.812217  5.29959      0.791784  57.9046     278.63      6.16571     278.63      
1 1 1 17 13 16 o 39.7738 3.37174 3.62718      0.691161  2.52147      0.656245  34.6374     225.546     13.9633     45.5462     
1 1 1 17 13 17 o 69.6808 2.76326 8.76491      0.997599  9.59418      0.988377  79.7954     76.8166     10.493      76.8166     
1 1 1 17 13 18 o 43.4066 3.70632 3.90315      0.783985  3.46606      0.840813  40.5666     287.615     10.0795     107.615     
1 1 1 17 13 19 o 22.3565 4.95865 1.26569      0.596048  0.687712     0.744029  19.9596     21.8176     1.22609     201.818     
1 1 1 17 13 20 o 38.8154 4.04269 2.32011      0.793132  3.75698      0.723952  37.8348     127.724     5.10886     307.724     
1 1 1 17 13 21 o 55.7214 3.39036 5.81692      1.05324   6.21474      0.865033  66.5624     305.068     15.5022     305.068     
1 1 1 17 13 22 o 20.5774 4.93068 1.02404      0.637818  0.638818     0.630563  17.9075     292.057     2.53538     112.057     
1 1 1 17 13 23 o 23.8686 5.03174 1.42102      0.671328  0.974304     0.685416  28.3477     222.052     14.2991     222.052     
1 1 1 17 13 24 o 39.0662 4.70406 3.97306      0.861035  2.44241      0.928722  42.348      347.858     4.31573     347.858     
1 1 1 17 13 25 o 34.2063 4.10157 2.6216       0.692932  2.17056      0.704543  37.7893     106.295     6.10013     106.295     
1 1 1 17 13 26 o 11.766  3.74093 -0.025132    0.49326   -0.295057    0.466171  0.020329    151.201     19.5276     151.2       
1 1 1 17 13 27 o 39.2118 3.66305 2.7236       0.718275  3.48862      0.723063  46.7905     246.311     13.7161     246.311     
1 1 1 17 13 28 o 38.2508 3.72169 2.58628      0.714487  3.37311      0.707311  49.5654     250.513     22.1254     250.513     
1 1 1 17 13 29 o 17.6974 4.1284  1.20262      0.549062  -0.212961    0.517077  15.0216     116.395     0.33563     296.395     
1 1 1 17 13 30 o 14.8546 4.33959 0.151353     0.573528  0.340356     0.52064   4.56133     244.893     17.3657     64.8933     
1 1 1 17 13 31 o 20.7059 4.92564 0.243994     0.730355  1.46349      0.674348  5.19497     358.638     29.9144     178.638     
1 1 1 17 13 32 o 21.0459 5.11018 0.978515     0.751544  1.03994      0.607292  22.9482     232.932     9.90327     232.932     
1 1 1 17 13 33 o 11.5964 3.78079 -0.196523    0.538463  -0.279526    0.516865  3.79782     170.441     0.316083    350.441     
1 1 1 17 13 34 o 15.8883 4.43299 0.796627     0.590696  0.0245395    0.54266   12.0915     93.8754     3.04938     273.875     
1 1 1 17 13 35 o 23.5271 5.11683 1.33401      0.711927  1.45089      0.662364  27.5959     329.336     12.604      329.336     
1 1 1 17 13 36 o 13.8757 4.15174 0.679021     0.586774  -0.582538    0.561854  8.48117     281.206     6.13359     101.206     
1 1 1 17 13 37 o 14.4461 4.35583 0.58557      0.611462  -0.091971    0.573677  8.44605     349.666     7.10677     169.666     
1 1 1 17 13 38 o 17.3405 4.8158  0.40067      0.670054  0.985959     0.641083  12.4997     242.314     4.76702     62.3138     
1 1 1 17 13 39 o 25.2511 5.03738 2.25279      0.737022  1.25097      0.687116  28.9286     227.012     12.7107     227.012     
1 1 1 17 13 40 o 21.2031 5.10688 1.23454      0.676865  1.34887      0.669052  17.6522     174.091     2.76885     354.091     
1 1 1 17 13 41 o 14.8829 4.65483 0.0398028    0.673654  0.710991     0.754946  8.89937     6.7866      6.0641      186.787     
1 1 1 17 13 42 o 15.5089 4.86175 0.919987     0.815953  0.0383921    0.771748  10.5597     31.1899     0.617837    211.19      
1 1 1 17 13 43 o 14.3022 4.48024 0.114234     0.734795  0.533299     0.619394  6.98359     317.215     6.58501     137.215     
1 1 1 17 13 44 o 13.5366 4.32773 -0.0177462   0.676108  0.416815     0.641468  4.58101     256.729     0.194971    256.729     
1 1 1 17 13 45 o 16.7812 4.89628 1.07229      0.721881  0.66174      0.6636    10.2299     212.127     4.97532     212.127     
1 1 1 17 13 46 o 18.3631 4.26712 -0.838463    0.655403  2.14335      0.695839  15.6498     230.722     0.958065    230.722     
1 1 1 17 13 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 14 0  o 45.5052 3.12216 3.94399      0.719469  3.94399      0.719469  10.3675     270         79.1173     90          
1 1 1 17 14 1  o 21.8113 4.36368 0.903111     0.515587  0.973152     0.515655  13.2349     54.9647     8.0777      234.965     
1 1 1 17 14 2  o 15.5644 4.15744 0.443986     0.471937  0.250749     0.450122  0.19045     235.894     20.8581     235.894     
1 1 1 17 14 3  o 35.7855 3.66479 2.32849      0.627138  2.61485      0.693473  34.3389     324.838     3.56427     144.838     
1 1 1 17 14 4  o 34.3754 4.22014 1.42215      0.695072  3.38811      0.710132  25.2378     20.229      19.5879     200.229     
1 1 1 17 14 5  o 35.8769 3.96991 2.37561      0.715399  2.63721      0.710981  30.5716     347.406     12.0611     167.406     
1 1 1 17 14 6  o 36.6968 3.8232  2.29444      0.744997  2.94115      0.634941  21.9656     102.116     32.3385     282.116     
1 1 1 17 14 7  o 59.6271 2.81701 6.62688      0.86906   6.73858      0.862196  72.7543     346.252     18.8718     346.252     
1 1 1 17 14 8  o 12.7365 3.76068 0.344883     0.464855  -0.395273    0.423649  5.2312      59.5064     27.1712     59.5064     
1 1 1 17 14 9  o 31.559  3.98703 2.59244      0.623111  1.40066      0.614072  30.9295     287.609     0.431433    107.609     
1 1 1 17 14 10 o 46.0307 3.12856 4.27446      0.744978  3.79583      0.728274  49.1532     243.227     1.83364     243.227     
1 1 1 17 14 11 o 62.5929 2.96875 7.19867      0.91856   7.62685      0.99676   60.6128     219.203     12.7122     39.203      
1 1 1 17 14 12 o 39.6759 3.36952 3.04354      0.684222  3.01801      0.674041  33.0657     290.977     16.8094     110.977     
1 1 1 17 14 13 o 46.5742 3.60813 4.38373      0.746378  4.00929      0.938627  56.3411     224.906     15.3991     224.906     
1 1 1 17 14 14 o 44.1738 3.42798 3.77712      0.746603  3.75853      0.796191  46.9627     213.028     1.39128     213.029     
1 1 1 17 14 15 o 17.2151 4.34397 0.73721      0.513229  0.266239     0.494546  6.8157      152.245     1.60864     152.245     
1 1 1 17 14 16 o 40.3797 3.74913 3.00027      0.811843  3.40621      0.700666  48.921      143.684     14.5255     143.684     
1 1 1 17 14 17 o 62.8844 3.11727 7.45898      1.06447   7.69726      0.948338  69.1753     250.904     4.74725     250.904     
1 1 1 17 14 18 o 26.3035 4.60791 1.15182      0.670182  1.71085      0.598721  24.728      140.757     2.49059     320.757     
1 1 1 17 14 19 o 43.2579 3.33085 3.28856      0.736817  3.99302      0.723904  48.7987     336.621     7.27427     336.621     
1 1 1 17 14 20 o 17.169  4.38262 0.818259     0.549612  0.166155     0.496015  8.71571     195.756     14.5466     15.7564     
1 1 1 17 14 21 o 39.716  3.72783 2.95955      0.747276  3.29664      0.747414  47.3912     253.242     12.8976     253.242     
1 1 1 17 14 22 o 41.5236 3.60252 3.60112      0.774303  3.22624      0.743497  40.4373     30.838      5.35641     210.838     
1 1 1 17 14 23 o 31.3791 4.38797 2.79423      0.739288  1.39974      0.642992  19.674      265.066     24.9231     85.0663     
1 1 1 17 14 24 o 16.1143 4.61476 0.182196     0.617477  0.45935      0.591989  12.1623     337.863     0.770679    337.863     
1 1 1 17 14 25 o 48.1082 3.93572 5.78287      0.898016  3.68807      0.955347  57.3158     18.7184     15.5237     18.7184     
1 1 1 17 14 26 o 25.8259 4.66127 1.11703      0.61613   1.7919       0.653718  25.6185     17.6944     1.16239     17.6943     
1 1 1 17 14 27 f 18.2351 4.64395 0.709517     0.584104  0.606123     0.537292  23.8927     299.524     0           0           
1 1 1 17 14 28 o 27.4502 4.52292 1.40052      0.638936  1.88499      0.630719  28.1443     318.163     2.88253     318.163     
1 1 1 17 14 29 o 18.3208 4.55473 0.328172     0.582948  0.966915     0.549309  14.6414     212.923     3.38501     32.9227     
1 1 1 17 14 30 o 16.618  4.51661 0.23436      0.57389   0.713447     0.554379  13.0542     106.383     1.97843     286.383     
1 1 1 17 14 31 o 31.4772 4.86098 1.69173      0.789688  2.89287      0.769479  33.0357     285.11      4.1362      285.11      
1 1 1 17 14 32 o 20.252  4.97444 1.24843      0.702489  0.670699     0.588511  19.8281     100.407     3.31294     100.407     
1 1 1 17 14 33 o 16.6831 4.4174  -0.0721345   0.592968  0.981133     0.56646   14.4774     281.911     0.548897    281.911     
1 1 1 17 14 34 o 14.0374 4.20242 -0.155482    0.566007  0.497276     0.541522  10.7568     62.7845     1.89117     62.7845     
1 1 1 17 14 35 o 16.9713 4.3376  -0.21423     0.587009  1.18383      0.580157  12.3078     135.546     5.66712     315.546     
1 1 1 17 14 36 o 14.2324 4.34365 0.380578     0.604041  0.121872     0.568097  5.62996     84.1693     13.2013     264.169     
1 1 1 17 14 37 o 14.7182 4.29084 0.847656     0.604963  -0.290295    0.553248  4.34029     175.297     1.92995     175.297     
1 1 1 17 14 38 o 20.354  3.97226 -0.661097    0.633611  2.18175      0.642993  22.438      262.066     12.8345     262.066     
1 1 1 17 14 39 o 12.0242 3.92449 -0.237141    0.591786  0.0424804    0.558745  5.3341      174.814     1.29381     354.814     
1 1 1 17 14 40 f 13.7095 4.31383 0.258368     0.633177  0.217538     0.600968  16.6435     197.102     0           0           
1 1 1 17 14 41 o 18.4068 4.83248 1.57481      0.693751  0.241331     0.690524  15.1592     143.702     0.371415    143.702     
1 1 1 17 14 42 o 21.3687 5.45822 0.539151     0.735789  2.6322       0.956786  18.2935     93.6877     0.693758    93.6876     
1 1 1 17 14 43 o 16.6176 5.22922 0.81173      0.953714  0.797458     0.863674  11.5939     52.6593     1.97259     52.6593     
1 1 1 17 14 44 o 23.3967 5.69111 2.32252      0.889299  1.64669      0.788811  21.9781     66.0741     3.82914     66.0741     
1 1 1 17 14 45 o 17.7866 4.62654 -0.171773    0.664428  1.82994      0.708158  14.2417     1.49269     0.43563     181.493     
1 1 1 17 14 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 15 0  o 25.8475 4.73507 1.476        0.548204  1.476        0.548204  8.51138     90          5.92171     90          
1 1 1 17 15 1  o 29.5748 4.01187 1.33965      0.581597  2.15726      0.599763  31.7461     243.836     7.49592     243.836     
1 1 1 17 15 2  o 17.4299 4.28579 0.724221     0.490211  0.32873      0.479766  0.532494    134.093     29.7972     314.093     
1 1 1 17 15 3  o 58.5275 2.80215 6.6123       0.845958  6.3013       0.843905  82.4363     103.978     41.8515     103.978     
1 1 1 17 15 4  o 43.3055 3.37277 3.24394      0.701248  3.9669       0.788326  22.9398     167.813     45.7495     347.813     
1 1 1 17 15 5  o 57.4532 3.20174 5.67504      0.942034  6.9143       0.941296  42.5434     332.69      37.7018     152.69      
1 1 1 17 15 6  o 18.4314 4.89396 0.167923     0.598271  0.869307     0.704973  4.84014     224.614     0.659961    224.614     
1 1 1 17 15 7  o 12.2045 3.88498 0.0326268    0.527841  -0.647803    0.544707  10.2432     253.829     40.5802     253.829     
1 1 1 17 15 8  o 15.1579 4.25292 0.18481      0.474056  0.363216     0.523978  4.72742     186.379     10.7258     6.37879     
1 1 1 17 15 9  o 52.3061 3.02182 6.17152      0.868807  4.32137      0.751971  36.059      212.901     39.2787     32.9006     
1 1 1 17 15 10 o 31.0924 4.08627 1.90837      0.672006  1.94877      0.594524  40.4827     21.9492     22.6554     21.9492     
1 1 1 17 15 11 o 18.8714 4.4629  0.328291     0.586349  0.925869     0.50264   12.641      328.134     6.93298     148.134     
1 1 1 17 15 12 o 28.5714 4.26608 0.987226     0.661306  2.3757       0.581968  34.8344     308.198     15.8098     308.198     
1 1 1 17 15 13 o 56.4001 2.90035 6.54326      0.858049  5.59248      0.824347  52.0192     95.3118     15.6724     275.312     
1 1 1 17 15 14 o 23.4051 4.29588 1.54395      0.567978  0.718446     0.51854   18.2446     338.047     9.0621      158.047     
1 1 1 17 15 15 o 29.93   4.11186 2.73978      0.647551  1.03041      0.586556  18.5081     142.476     24.505      322.476     
1 1 1 17 15 16 o 27.8536 4.28809 1.12772      0.610105  2.08253      0.606114  27.0083     262.368     1.76219     82.3684     
1 1 1 17 15 17 o 26.5317 4.24238 1.69035      0.58316   1.20609      0.561021  26.9815     91.7023     1.32847     91.7023     
1 1 1 17 15 18 o 13.7372 3.8485  -0.359213    0.44867   0.539069     0.462988  5.89861     291.322     0.352459    291.322     
1 1 1 17 15 19 o 52.8097 3.15088 4.56955      0.821612  6.28414      0.876908  56.4871     273.636     2.3129      273.636     
1 1 1 17 15 20 o 15.4544 4.18402 0.718806     0.537692  -0.153401    0.480267  7.49941     138.035     12.3419     318.035     
1 1 1 17 15 21 f 13.85   4.02705 0.443468     0.505729  -0.214858    0.472143  3.17407     312.691     0           0           
1 1 1 17 15 22 o 16.8695 4.2719  -0.0153316   0.551877  0.860774     0.503887  14.0875     102.512     1.7852      102.512     
1 1 1 17 15 23 o 14.051  4.13624 0.342221     0.525841  -0.0227916   0.484046  5.3217      248.699     0.966754    248.699     
1 1 1 17 15 24 o 21.5026 4.49719 1.68309      0.644176  0.186475     0.591796  22.9487     229.264     7.73154     229.264     
1 1 1 17 15 25 f 24.2681 4.48348 0.511606     0.643719  2.01287      0.631928  33.5209     219.736     0           0           
1 1 1 17 15 26 o 14.0158 4.22084 -0.179917    0.549159  0.34887      0.556904  1.28459     24.9468     28.1354     24.9468     
1 1 1 17 15 27 o 13.7616 4.16936 0.298609     0.541491  -0.153093    0.543495  7.86799     222.13      0.482601    42.13       
1 1 1 17 15 28 o 34.6479 4.31847 2.9374       0.715817  2.23974      0.764275  33.9908     233.063     1.29723     53.0626     
1 1 1 17 15 29 o 40.1464 3.83314 2.7006       0.758688  4.10477      0.757961  44.6268     69.8301     8.61001     69.8301     
1 1 1 17 15 30 o 27.3335 4.68396 1.9685       0.673097  1.46554      0.647034  25.5625     212.888     2.09184     32.888      
1 1 1 17 15 31 o 15.5696 4.58081 0.547711     0.660896  0.168434     0.564742  11.3663     64.3937     5.24075     64.3937     
1 1 1 17 15 32 o 19.7713 4.86199 0.762778     0.631415  1.08427      0.605489  18.6163     101.438     1.58662     101.438     
1 1 1 17 15 33 o 12.022  3.85889 -0.123118    0.530828  -0.0512684   0.514388  6.19758     281.278     0.520831    281.278     
1 1 1 17 15 34 o 24.462  4.69083 0.897994     0.656615  2.09351      0.654341  22.9405     213.824     0.234668    33.8241     
1 1 1 17 15 35 o 8.22618 2.89591 -0.907038    0.505967  -1.07234     0.459397  0.810779    98.2927     10.3836     98.2927     
1 1 1 17 15 36 o 13.0529 4.06255 -0.42852     0.592597  0.445559     0.548054  6.70001     65.6482     0.273865    245.648     
1 1 1 17 15 37 o 19.8748 4.99333 1.07016      0.665808  1.11996      0.628469  19.8734     325.144     7.40502     325.144     
1 1 1 17 15 38 o 17.4732 4.7851  1.05599      0.647569  0.54836      0.60794   15.7309     292.674     5.89835     292.674     
1 1 1 17 15 39 o 15.2439 4.54815 0.318368     0.619636  0.688361     0.624595  10.9437     294.214     2.20201     294.214     
1 1 1 17 15 40 o 10.6579 3.60677 -0.260934    0.589716  -0.470073    0.537356  2.33294     127.996     4.56055     307.996     
1 1 1 17 15 41 f 18.7144 5.0879  1.2668       0.717765  0.909682     0.677989  5.89936     27.467      0           0           
1 1 1 17 15 42 o 11.713  3.88114 -0.242994    0.597896  -0.00170623  0.59062   3.55627     236.762     3.16221     56.7622     
1 1 1 17 15 43 o 13.9978 4.54899 -0.583658    0.646277  1.07658      0.867802  7.71447     25.1403     3.78848     205.14      
1 1 1 17 15 44 o 13.7834 4.53085 0.271299     0.786551  0.221264     0.776427  7.12503     177.031     6.2206      357.031     
1 1 1 17 15 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 16 0  o 6.89988 3.45851 -0.646888    0.516749  -0.646888    0.516749  24.0252     90          59.33       90          
1 1 1 17 16 1  o 33.0166 4.42362 2.24083      0.783118  2.15338      0.674158  25.7625     231.835     16.1588     51.8348     
1 1 1 17 16 2  o 65.187  2.8574  8.09995      1.00524   7.99978      0.914374  80.2382     105.371     22.0033     105.371     
1 1 1 17 16 3  o 86.6743 2.70297 14.357       1.25838   13.9794      1.16355   114.125     256.318     42.9627     256.318     
1 1 1 17 16 4  o 33.3127 4.21969 1.51607      0.716323  3.02084      0.643523  29.5681     31.3799     8.9524      211.38      
1 1 1 17 16 5  o 29.6185 4.43975 1.77777      0.672518  1.78784      0.648331  32.2159     268.589     6.34866     268.589     
1 1 1 17 16 6  o 47.3431 3.77644 3.95817      0.949406  4.81686      0.843696  52.5844     9.91409     6.02549     9.91408     
1 1 1 17 16 7  o 28.5701 4.78673 1.91541      0.763378  1.4766       0.634855  26.5613     11.1242     3.55459     191.124     
1 1 1 17 16 8  o 14.4029 4.11276 0.305208     0.507332  0.140236     0.441699  1.2355      354.996     22.1756     174.996     
1 1 1 17 16 9  o 20.2824 4.12299 1.51063      0.572068  -0.0168194   0.522127  12.6655     184.828     13.0456     4.82818     
1 1 1 17 16 10 o 54.8421 3.22086 6.49942      0.92803   5.11683      0.880857  65.4967     7.30116     15.5402     7.30115     
1 1 1 17 16 11 o 27.5351 4.45154 2.02459      0.646795  1.12868      0.613762  18.1763     41.6109     19.4617     221.611     
1 1 1 17 16 12 o 21.7614 4.81677 0.908437     0.61649   1.02024      0.593289  19.0853     251.025     2.70461     71.0255     
1 1 1 17 16 13 o 21.7461 4.82585 0.936824     0.616517  0.993972     0.59557   19.332      191.935     2.447       11.9354     
1 1 1 17 16 14 o 42.6711 3.59009 4.1669       0.840272  3.0242       0.715914  49.529      24.0578     10.4853     24.0578     
1 1 1 17 16 15 o 27.2125 4.32629 1.62065      0.630236  1.43254      0.560971  26.7068     212.193     0.750504    32.1929     
1 1 1 17 16 16 o 32.2938 4.13143 2.30079      0.722351  1.94661      0.610899  27.8387     83.2957     10.3362     263.296     
1 1 1 17 16 17 o 14.0918 4.10905 -0.167028    0.542334  0.380937     0.476749  4.47519     218.806     15.4653     38.8062     
1 1 1 17 16 18 o 38.3087 3.68945 3.02242      0.721969  2.83647      0.705099  39.5662     114.924     0.48343     114.924     
1 1 1 17 16 19 o 21.0669 4.45234 1.3931       0.580657  0.425152     0.546582  20.2973     32.1619     1.88239     32.1619     
1 1 1 17 16 20 o 45.4317 3.35442 4.14207      0.781286  4.00802      0.775289  54.2545     44.2166     15.148      44.2166     
1 1 1 17 16 21 f 18.4371 4.52485 0.893335     0.552497  0.43459      0.527833  24.2165     107.807     0           0           
1 1 1 17 16 22 o 41.0597 3.41554 3.51746      0.729423  3.20774      0.696629  43.264      95.7664     2.73069     95.7664     
1 1 1 17 16 23 o 13.2808 4.00153 -0.115218    0.504793  0.248827     0.482962  6.42072     311.281     6.60119     131.281     
1 1 1 17 16 24 o 28.1036 4.62783 1.40785      0.690226  2.04989      0.645691  26.9119     71.4195     1.18511     251.42      
1 1 1 17 16 25 o 25.3151 4.76667 1.61135      0.636679  1.2428       0.645158  20.6557     11.9734     7.85739     191.973     
1 1 1 17 16 26 o 12.6965 3.80122 -0.625418    0.499099  0.426438     0.475517  4.30018     136.145     0.301435    136.145     
1 1 1 17 16 27 o 10.3087 3.41581 -0.773125    0.50578   -0.128967    0.447048  0.795134    106.493     13.7259     286.493     
1 1 1 17 16 28 o 10.8579 3.58608 -0.299507    0.491849  -0.365316    0.506411  1.2452      198.418     14.7721     18.4179     
1 1 1 17 16 29 o 17.5563 4.70866 0.490582     0.581283  0.778802     0.605931  11.8493     173.982     8.13584     353.982     
1 1 1 17 16 30 o 20.4442 5.00166 0.791482     0.624734  1.21827      0.677133  14.5398     67.3542     9.22505     247.354     
1 1 1 17 16 31 o 12.3418 4.00977 -0.00876812  0.610407  -0.319722    0.563683  4.19548     175.843     1.12994     175.843     
1 1 1 17 16 32 o 12.6722 3.9619  0.293518     0.542832  -0.260011    0.503716  5.09796     229.496     1.38043     229.496     
1 1 1 17 16 33 o 16.3601 4.33151 -0.148476    0.57748   1.05843      0.566124  10.7247     355.729     7.07654     175.729     
1 1 1 17 16 34 o 10.2871 3.44148 -0.776215    0.523734  -0.0964306   0.480754  1.16769     185.352     11.9629     5.35149     
1 1 1 17 16 35 o 14.3937 4.34724 0.607079     0.606912  -0.0200781   0.57175   4.63865     132.693     15.291      312.693     
1 1 1 17 16 36 o 18.362  4.55822 1.46702      0.632567  0.191978     0.575539  15.9161     119.677     9.55388     119.677     
1 1 1 17 16 37 o 16.1783 4.70532 0.566736     0.638379  0.699705     0.63319   5.89645     162.46      16.7153     342.46      
1 1 1 17 16 38 o 12.7747 4.03607 -0.274654    0.562971  0.432123     0.567963  4.45682     224.944     0.197374    224.944     
1 1 1 17 16 39 o 12.1097 3.9344  0.189273     0.584357  -0.220723    0.550908  3.87971     208.28      2.13463     28.2802     
1 1 1 17 16 40 o 18.1331 4.78725 0.214676     0.677517  1.55412      0.686094  14.8534     350.584     3.85355     350.584     
1 1 1 17 16 41 o 15.2788 4.58535 0.66794      0.656052  0.493993     0.606703  9.73363     157.617     1.24934     157.617     
1 1 1 17 16 42 o 11.772  3.92628 -0.220029    0.627859  -0.0136499   0.622278  3.98791     88.0033     1.70921     268.003     
1 1 1 17 16 43 o 15.8032 4.81812 0.740106     0.729713  0.705596     0.705473  8.31488     98.1406     9.27968     278.141     
1 1 1 17 16 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 17 0  o 63.3683 2.83702 7.57093      0.923222  7.57093      0.923222  82.9926     270         30.2349     270         
1 1 1 17 17 1  o 13.3888 3.76799 0.44041      0.422876  -0.193126    0.421132  4.03039     205.839     12.2355     25.8386     
1 1 1 17 17 2  o 44.6015 3.11248 3.99512      0.713094  3.664        0.706398  46.7558     195.529     0.327017    195.529     
1 1 1 17 17 3  o 9.5706  3.14303 -0.63618     0.374916  -0.0987423   0.394013  1.9155      268.592     14.3328     268.592     
1 1 1 17 17 4  o 49.3391 3.34486 4.90069      0.830809  4.52464      0.856272  52.8378     35.0154     2.20078     35.0154     
1 1 1 17 17 5  o 35.3383 4.08715 3.00954      0.675003  2.02998      0.738085  31.2645     57.4074     10.3641     237.407     
1 1 1 17 17 6  o 51.3534 3.82717 5.28425      0.865971  5.07885      1.11129   51.0944     94.6316     5.70639     274.632     
1 1 1 17 17 7  o 42.3013 4.49184 2.87584      0.894164  4.4499       0.998621  45.942      264.058     4.16725     264.058     
1 1 1 17 17 8  o 25.6002 4.87811 1.27854      0.728951  1.45614      0.604697  28.6759     127.809     8.38502     127.809     
1 1 1 17 17 9  o 20.3066 4.38435 -0.130946    0.672175  1.4192       0.569086  21.2277     126.398     7.9891      126.398     
1 1 1 17 17 10 o 46.4697 4.17316 3.38944      0.994744  5.3362       0.87591   51.0304     302.614     5.34848     302.614     
1 1 1 17 17 11 o 12.7268 3.88821 0.316298     0.542004  -0.461452    0.436806  5.54259     337.824     4.3263      157.824     
1 1 1 17 17 12 o 14.1986 4.07854 0.331256     0.465285  0.0593239    0.48687   8.25627     304.282     0.906249    124.282     
1 1 1 17 17 13 o 11.4295 3.55758 0.198604     0.443788  -0.645369    0.441044  2.45669     160.933     24.3335     160.933     
1 1 1 17 17 14 o 14.5956 4.05564 0.54984      0.471835  -0.162679    0.499461  6.8484      8.00982     1.59707     8.00982     
1 1 1 17 17 15 o 24.6938 4.45917 1.82321      0.583708  0.728571     0.637443  9.90435     105.404     29.7786     285.405     
1 1 1 17 17 16 o 14.2513 4.10934 0.455683     0.480734  -0.21795     0.544435  7.72305     45.604      7.03189     225.604     
1 1 1 17 17 17 o 18.4832 4.59009 1.08534      0.612408  0.136956     0.564519  10.4927     207.79      13.506      27.7902     
1 1 1 17 17 18 o 12.2839 3.90716 -0.175034    0.516046  -0.1276      0.526369  4.65173     33.5669     7.01391     213.567     
1 1 1 17 17 19 o 20.7531 4.75198 0.390072     0.64374   1.33125      0.619176  19.1661     188.828     0.65569     188.828     
1 1 1 17 17 20 f 24.8723 4.51839 0.927578     0.651303  1.72952      0.568921  17.6359     117.25      0           0           
1 1 1 17 17 21 o 32.0563 4.25196 2.40895      0.734139  1.94209      0.628611  35.6041     237.345     7.86468     237.345     
1 1 1 17 17 22 f 15.8277 4.29351 0.648        0.523504  0.149622     0.494333  5.43411     185.412     0           0           
1 1 1 17 17 23 o 27.4799 4.35866 0.987252     0.634546  2.34452      0.620506  18.019      44.3208     18.3929     224.321     
1 1 1 17 17 24 o 22.4944 4.71566 1.55488      0.635672  0.718049     0.592396  18.6841     331.858     5.26652     151.858     
1 1 1 17 17 25 o 19.7865 4.47683 1.3394       0.57827   0.288278     0.572514  20.6722     110.7       7.38825     110.7       
1 1 1 17 17 26 o 12.284  3.84881 0.143584     0.509079  -0.226208    0.472939  2.48359     322.955     0.420586    322.955     
1 1 1 17 17 27 o 13.6175 4.10087 0.104833     0.514993  0.225676     0.50373   9.14249     51.0169     1.183       51.0169     
1 1 1 17 17 28 o 16.8014 4.60162 0.512046     0.579395  0.619979     0.565428  9.28317     265.026     12.0289     85.0258     
1 1 1 17 17 29 o 26.692  4.78717 1.48861      0.686947  1.95694      0.652945  21.8323     13.7472     8.01184     193.747     
1 1 1 17 17 30 o 14.683  4.34997 0.608309     0.583861  -0.0940913   0.579933  7.00275     142.464     11.736      322.464     
1 1 1 17 17 31 o 25.9228 5.0602  2.76264      0.815195  0.778433     0.791076  20.6539     61.4882     8.04505     241.488     
1 1 1 17 17 32 o 14.3209 4.24434 0.629634     0.54966   -0.191427    0.590602  5.17114     9.2735      2.1033      9.2735      
1 1 1 17 17 33 o 17.5424 4.37768 1.3623       0.603175  -0.0990027   0.573565  14.8337     238.004     0.75777     238.004     
1 1 1 17 17 34 o 19.139  4.73517 0.436379     0.642861  1.42652      0.626008  10.8585     264.631     12.8767     84.6312     
1 1 1 17 17 35 o 15.3566 4.51866 0.587693     0.61053   0.422286     0.579712  11.642      289.128     2.27384     289.128     
1 1 1 17 17 36 o 17.0073 4.46769 1.28946      0.610946  0.0634699    0.571749  14.2653     263.934     6.54661     263.934     
1 1 1 17 17 37 o 14.982  4.33146 0.948636     0.595635  -0.141164    0.575382  5.83777     306.928     13.156      126.928     
1 1 1 17 17 38 o 13.829  4.31698 0.245712     0.614524  0.357952     0.599732  6.54649     348.299     1.13619     168.299     
1 1 1 17 17 39 o 18.8791 5.02674 1.35726      0.708728  0.829249     0.643003  13.0838     11.3668     7.40785     11.3668     
1 1 1 17 17 40 o 27.0428 5.24079 2.28779      0.761807  2.15874      0.751353  29.106      338.701     10.864      338.701     
1 1 1 17 17 41 o 18.5447 4.41993 1.96845      0.674932  -0.275249    0.644715  17.0034     279.219     9.04932     279.219     
1 1 1 17 17 42 o 15.5513 4.49582 -0.171441    0.664661  1.20194      0.643591  11.9774     276.86      2.145       276.86      
1 1 1 17 18 0  o 49.6366 3.41404 4.75909      0.858045  4.75909      0.858045  49.7968     270         5.78365     90          
1 1 1 17 18 1  o 75.582  2.81142 11.401       1.14697   10.3748      1.04881   91.8115     230.774     24.4782     230.774     
1 1 1 17 18 2  o 33.2501 3.75061 2.42964      0.651459  1.984        0.59765   32.432      252.497     2.99118     72.4969     
1 1 1 17 18 3  o 26.3841 4.32504 1.85659      0.610556  1.04707      0.565624  30.756      145.697     10.7875     145.697     
1 1 1 17 18 4  o 24.1963 4.30278 0.434718     0.585413  1.98837      0.615559  18.9284     216.5       9.88896     36.5003     
1 1 1 17 18 5  o 45.4186 3.38678 4.39629      0.756197  3.6687       0.801382  51.9945     230.261     9.90734     230.261     
1 1 1 17 18 6  o 9.5994  3.15035 -0.328625    0.384729  -0.252802    0.367023  0.568062    83.6493     6.28763     263.649     
1 1 1 17 18 7  o 15.7206 4.23121 0.419701     0.460961  0.355167     0.495257  11.3074     154.047     1.73158     334.047     
1 1 1 17 18 8  o 25.8347 4.71408 1.36503      0.656146  1.45565      0.616284  24.6792     65.4439     1.14685     245.444     
1 1 1 17 18 9  o 25.9101 4.20215 2.17124      0.636092  0.719023     0.522438  20.4706     188.668     10.5735     8.66763     
1 1 1 17 18 10 o 41.598  3.3039  3.65505      0.698028  3.13786      0.697854  44.2484     119.602     2.92655     119.602     
1 1 1 17 18 11 o 29.0854 3.92338 1.78006      0.572263  1.67321      0.567553  37.1937     132.747     18.2621     132.747     
1 1 1 17 18 12 f 36.7118 3.95204 3.07733      0.685133  2.40776      0.74976   37.8814     49.6692     0           0           
1 1 1 17 18 13 o 56.2523 3.23809 7.27075      0.880167  5.1888       0.950068  79.6926     175.981     43.6987     175.981     
1 1 1 17 18 14 o 24.525  4.55882 1.07773      0.560022  1.5068       0.620277  23.2851     239.207     0.580173    59.2064     
1 1 1 17 18 15 o 14.2938 4.11399 0.160549     0.460782  0.309627     0.498245  8.68822     223.645     2.92516     43.6446     
1 1 1 17 18 16 o 17.0681 4.36383 0.507236     0.502027  0.587003     0.490741  8.56134     146.049     14.0334     326.049     
1 1 1 17 18 17 o 15.101  4.14786 0.532889     0.489971  0.143854     0.459226  10.1737     51.2202     2.68956     231.22      
1 1 1 17 18 18 o 31.0228 3.98446 2.34446      0.613524  1.68036      0.613803  39.4725     256.938     18.9511     256.938     
1 1 1 17 18 19 o 10.3188 3.30021 -0.701048    0.417256  0.091972     0.397199  1.10475     310.087     10.9689     130.087     
1 1 1 17 18 20 o 24.617  4.86295 1.10575      0.579052  1.62842      0.714517  17.2933     334.834     13.1914     154.834     
1 1 1 17 18 21 o 20.6915 4.80503 0.656459     0.591632  1.21738      0.626858  20.546      226.143     4.4176      226.143     
1 1 1 17 18 22 o 45.0195 4.10405 4.13899      0.967481  4.43452      0.895038  56.8945     322.25      23.5913     322.25      
1 1 1 17 18 23 o 21.8171 5.38899 0.740605     0.941568  1.34867      0.671459  21.9854     132.961     4.71425     132.961     
1 1 1 17 18 24 o 30.7333 5.34342 1.87234      1.08036   2.65804      0.692341  34.2176     174.008     9.05884     174.008     
1 1 1 17 18 25 o 25.5559 4.98986 1.79325      0.732171  1.34392      0.636868  24.3311     349.254     0.114065    169.254     
1 1 1 17 18 26 o 17.5635 4.67598 0.660851     0.649515  0.657073     0.515246  12.9015     77.8876     5.70499     257.888     
1 1 1 17 18 27 o 12.6219 3.96487 0.185178     0.562895  -0.13608     0.474311  6.50171     90.8096     1.52449     90.8096     
1 1 1 17 18 28 o 15.0017 4.32424 -0.005385    0.622708  0.607593     0.509245  11.3984     80.5273     1.47848     260.527     
1 1 1 17 18 29 o 18.3704 4.70232 0.852616     0.591206  0.770357     0.560322  13.1668     219.703     6.58239     39.7025     
1 1 1 17 18 30 o 22.1285 4.72055 0.568016     0.616673  1.93699      0.680184  20.0764     126.23      0.0906226   306.23      
1 1 1 17 18 31 o 13.367  4.24718 0.220314     0.672515  -0.0222583   0.548309  7.23377     356.141     4.33934     176.141     
1 1 1 17 18 32 o 26.6357 5.10501 2.43363      0.773613  1.46898      0.702165  20.4926     61.0733     9.06545     241.073     
1 1 1 17 18 33 f 14.4539 4.19573 -0.475827    0.553444  0.920175     0.594644  11.6263     59.5562     0           0           
1 1 1 17 18 34 o 9.60553 3.27565 -0.289403    0.494617  -0.712434    0.484207  1.84978     0.729117    4.2082      180.729     
1 1 1 17 18 35 o 13.6864 4.17467 0.590242     0.572911  -0.049731    0.536844  6.45565     157.235     0.951403    157.235     
1 1 1 17 18 36 o 14.1133 4.2776  0.69925      0.60017   -0.0429736   0.558642  5.76594     241.523     0.863591    241.523     
1 1 1 17 18 37 o 15.9857 4.44947 1.1321       0.613233  0.0485479    0.567457  10.5802     63.7987     1.7621      243.799     
1 1 1 17 18 38 o 10.2889 3.47304 -0.787605    0.530514  -0.0311766   0.52692   1.1138      349.827     2.06308     169.827     
1 1 1 17 18 39 o 12.3368 4.00766 0.164819     0.599288  -0.0203291   0.572048  4.94519     98.5565     1.57285     278.557     
1 1 1 17 18 40 o 16.0405 4.34083 -0.468639    0.61745   1.44258      0.634958  11.1796     64.8397     5.32056     64.8397     
1 1 1 17 18 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 19 0  o 7.80107 3.66469 -0.0862298   0.395024  -0.0862298   0.395024  8.07736     270         28.8241     270         
1 1 1 17 19 1  o 27.5371 4.29204 1.15876      0.586421  2.04165      0.618367  32.3854     65.1988     11.7398     65.1988     
1 1 1 17 19 2  o 46.8587 3.4912  4.82153      0.793657  3.86936      0.855102  55.1756     273.065     14.0276     273.065     
1 1 1 17 19 3  o 16.8056 4.23876 0.649598     0.456322  0.365709     0.493103  13.6613     136.738     0.609744    136.738     
1 1 1 17 19 4  o 40.1888 3.48375 3.64833      0.721219  2.78151      0.69105   35.8468     29.214      10.8068     209.214     
1 1 1 17 19 5  o 30.4776 3.90542 1.98627      0.590231  1.80503      0.597473  31.909      83.9851     3.10801     83.9851     
1 1 1 17 19 6  o 39.5469 3.40518 3.00446      0.677179  3.18969      0.689945  50.2915     100.169     20.624      100.169     
1 1 1 17 19 7  o 16.3756 4.06577 0.0182838    0.451306  0.858192     0.489091  13.165      263.912     2.37526     263.912     
1 1 1 17 19 8  o 35.7997 4.14815 2.35049      0.746084  2.93792      0.731389  43.4007     157.176     15.2159     157.176     
1 1 1 17 19 9  o 20.0576 3.91445 -0.0229169   0.561435  1.44438      0.483312  21.2873     284.799     9.60564     284.799     
1 1 1 17 19 10 o 14.3074 3.94869 0.207215     0.437519  0.374082     0.415442  8.41034     129.822     5.04442     309.822     
1 1 1 17 19 11 o 18.9576 4.27858 0.630505     0.486317  0.843097     0.47      18.3926     45.514      8.41734     45.514      
1 1 1 17 19 12 o 40.245  3.41043 4.09411      0.690069  2.45232      0.664944  49.8943     229.804     18.7365     229.804     
1 1 1 17 19 13 o 39.8854 3.40898 3.23542      0.691576  3.12113      0.689274  40.0805     28.4956     0.682766    208.496     
1 1 1 17 19 14 o 13.9696 3.64389 0.719812     0.441958  -0.326371    0.376987  8.15978     205.05      0.214117    205.05      
1 1 1 17 19 15 o 10.7768 3.35256 -0.379999    0.404537  0.127857     0.360327  1.51016     126.222     11.6422     306.222     
1 1 1 17 19 16 o 21.7974 4.19122 0.606482     0.526508  1.41266      0.50363   24.9399     298.852     13.7043     298.852     
1 1 1 17 19 17 o 9.98468 3.24201 -0.140504    0.41033   -0.270132    0.351137  1.58501     260.555     7.39716     80.5552     
1 1 1 17 19 18 o 16.7189 4.20459 0.630746     0.473849  0.475117     0.444281  14.5034     220.839     3.03556     220.839     
1 1 1 17 19 19 o 14.8548 4.09609 0.229173     0.482151  0.463401     0.44147   10.4879     284.787     2.44126     104.787     
1 1 1 17 19 20 o 15.4073 4.02134 0.00858248   0.474952  0.729758     0.453916  5.54618     99.9455     16.9155     279.945     
1 1 1 17 19 21 o 26.0881 4.28583 1.77349      0.588429  1.25564      0.554694  28.5068     302.154     7.35669     302.154     
1 1 1 17 19 22 o 23.9723 4.50635 1.25926      0.581443  1.36475      0.559216  22.0528     254.779     1.46865     74.7795     
1 1 1 17 19 23 o 28.8308 4.18663 1.5817       0.616628  2.12153      0.592172  29.709      62.6558     3.55548     62.6558     
1 1 1 17 19 24 o 34.9275 4.51186 2.17739      0.713759  3.47574      0.861856  45.5253     314.23      23.563      314.23      
1 1 1 17 19 25 o 11.5149 3.81657 -0.17358     0.571812  -0.517815    0.58284   5.0531      5.10015     0.0387793   185.1       
1 1 1 17 19 26 o 17.5848 4.95355 0.672861     0.684129  0.685546     0.672454  16.5905     41.1503     5.8777      41.1503     
1 1 1 17 19 27 o 14.872  4.4194  0.472304     0.640825  0.250947     0.509884  6.617       317.719     12.464      137.719     
1 1 1 17 19 28 o 16.7165 4.59846 0.644538     0.561954  0.618531     0.583391  10.8045     265.038     7.10254     85.0382     
1 1 1 17 19 29 o 17.2245 4.62416 1.02449      0.582289  0.280176     0.6396    14.3664     54.1126     1.42433     54.1125     
1 1 1 17 19 30 o 18.0759 4.86649 1.33631      0.705796  0.300349     0.633608  14.9374     120.891     8.22829     120.891     
1 1 1 17 19 31 o 21.1297 5.2283  1.11542      0.755925  1.46388      0.685866  18.5655     73.8426     0.0158508   73.8396     
1 1 1 17 19 32 o 20.9711 4.56798 1.87245      0.63222   0.426045     0.641052  20.5782     138.357     4.77228     138.357     
1 1 1 17 19 33 o 12.4055 3.96562 -0.375772    0.563789  0.360102     0.565026  5.24439     16.9545     1.27591     196.954     
1 1 1 17 19 34 o 13.2018 4.09035 0.672389     0.593919  -0.52142     0.567404  6.19927     288.473     1.85128     108.473     
1 1 1 17 19 35 o 18.1774 4.63569 1.58617      0.649305  -0.0550196   0.727063  14.5308     254.852     5.53327     254.852     
1 1 1 17 19 36 o 16.8139 4.76215 1.04623      0.636132  0.473125     0.671145  12.3869     270.666     0.987944    270.666     
1 1 1 17 19 37 o 15.5945 4.52857 1.14221      0.655985  -0.0628326   0.627369  9.19097     73.0672     3.27022     73.0672     
1 1 1 17 19 38 o 17.59   4.88361 1.36704      0.697491  0.56084      0.650015  13.8886     316.192     0.225596    316.192     
1 1 1 17 19 39 o 12.2983 3.93157 -0.472835    0.563011  0.504794     0.568986  1.78088     9.00465     0.347918    9.00464     
1 1 1 17 19 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 20 0  o 51.8905 3.72373 5.29366      0.976041  5.29366      0.976041  68.081      90          28.1403     90          
1 1 1 17 20 1  o 17.885  4.15881 0.0936325    0.482223  1.07361      0.515649  14.3852     256.058     2.36467     76.0576     
1 1 1 17 20 2  o 13.6089 3.86441 0.0982113    0.418658  0.336722     0.423094  5.15593     126.124     0.547457    126.124     
1 1 1 17 20 3  o 27.8541 4.05558 1.72313      0.570046  1.51203      0.56221   33.147      86.9807     13.049      86.9807     
1 1 1 17 20 4  o 28.7785 3.91827 2.2487       0.573613  1.23267      0.548615  26.8816     303.746     3.02526     123.746     
1 1 1 17 20 5  o 15.3056 3.80668 0.0103207    0.418136  0.722034     0.411978  8.33285     189.317     9.65047     9.31727     
1 1 1 17 20 6  o 33.764  3.53197 2.31468      0.597703  2.28299      0.601294  45.6002     87.4715     25.4701     87.4715     
1 1 1 17 20 7  o 32.4458 3.67937 2.58019      0.602667  1.74257      0.580301  34.7603     196.863     5.18077     196.863     
1 1 1 17 20 8  o 17.962  4.22488 0.841849     0.467708  0.445525     0.476858  11.7625     316.176     8.97971     136.176     
1 1 1 17 20 9  o 57.8171 3.2635  5.86833      0.980452  7.3958       0.940277  64.5122     52.1128     10.8516     52.1128     
1 1 1 17 20 10 o 16.6382 4.04645 0.119738     0.515099  0.803289     0.42202   9.69192     53.8111     10.1812     233.811     
1 1 1 17 20 11 o 33.7796 3.50267 2.61022      0.604078  2.02875      0.580493  35.3989     355.546     3.66532     355.546     
1 1 1 17 20 12 o 41.0599 3.1306  3.85512      0.664567  2.86494      0.636933  45.1137     23.9098     7.65003     23.9098     
1 1 1 17 20 13 o 42.251  3.20705 4.33515      0.688859  2.84981      0.667641  56.3565     304.068     28.5032     304.068     
1 1 1 17 20 14 o 21.8696 4.12898 1.13809      0.488956  0.928032     0.46701   21.189      336.161     1.88275     336.161     
1 1 1 17 20 15 o 27.2761 3.90383 1.63697      0.5435    1.5163       0.522618  27.8251     243.272     2.87941     243.272     
1 1 1 17 20 16 f 12.6378 3.64102 -0.0824123   0.406926  0.35631      0.380873  10.489      299.385     0           0           
1 1 1 17 20 17 o 45.0539 3.0219  4.52396      0.707903  3.61156      0.681302  45.3722     262.095     0.182605    262.095     
1 1 1 17 20 18 o 23.9467 4.0869  0.816668     0.530942  1.72638      0.512809  18.1417     180.898     9.8902      0.897587    
1 1 1 17 20 19 o 19.0522 3.57327 1.53031      0.481978  -0.0907303   0.432005  20.0059     212.044     6.64811     212.044     
1 1 1 17 20 20 o 21.9108 4.26271 0.800136     0.528597  1.37199      0.502677  11.96       331.982     18.1438     151.982     
1 1 1 17 20 21 o 13.5874 3.79975 -0.0476052   0.443839  0.508688     0.406163  5.08978     240.169     2.35109     240.169     
1 1 1 17 20 22 o 17.5283 4.29868 0.899488     0.505465  0.470076     0.467102  14.2028     321.139     2.82296     141.139     
1 1 1 17 20 23 o 25.4819 4.38158 1.71708      0.596399  1.33029      0.553253  28.6392     39.1309     9.76928     39.1309     
1 1 1 17 20 24 o 14.6884 4.18873 0.232755     0.510089  0.505096     0.486389  8.36771     68.4321     8.08449     248.432     
1 1 1 17 20 25 o 28.946  4.33053 2.43948      0.640225  1.54079      0.625115  35.242      359.475     16.718      359.475     
1 1 1 17 20 26 o 10.8468 3.49856 -0.165552    0.463236  -0.0481153   0.411427  2.21462     169.582     10.7825     349.582     
1 1 1 17 20 27 o 13.4245 3.92452 -0.132893    0.499662  0.532433     0.456764  7.42041     9.32213     0.525568    9.32214     
1 1 1 17 20 28 f 7.32964 2.60241 -0.728732    0.36521   -1.75221     0.538487  2.35036     213.855     0           0           
1 1 1 17 20 29 o 14.862  4.54294 0.775688     0.679633  -0.209824    0.67522   3.31286     164.661     1.56945     164.661     
1 1 1 17 20 30 o 18.7363 5.1064  0.578861     0.897493  1.2715       0.653385  15.0333     85.9675     1.69485     265.968     
1 1 1 17 20 31 o 18.2427 4.89028 1.01024      0.688971  0.881426     0.584456  16.1331     123.872     6.65771     123.872     
1 1 1 17 20 32 o 14.815  4.37786 0.527062     0.572886  0.423806     0.550682  8.39103     172.384     5.11017     352.384     
1 1 1 17 20 33 o 17.3288 4.43789 0.168445     0.582446  1.30731      0.581266  12.262      297.231     4.93359     297.231     
1 1 1 17 20 34 o 10.5017 3.50329 -0.224634    0.501043  -0.243523    0.49307   1.40328     296.671     2.75591     116.671     
1 1 1 17 20 35 o 12.747  4.02319 -0.046077    0.569149  0.355256     0.534247  2.62796     76.9099     0.0463142   76.9099     
1 1 1 17 20 36 f 18.5808 5.00277 1.29012      0.701069  0.944089     0.635953  10.0019     81.0349     0           0           
1 1 1 17 20 37 o 12.2638 3.97921 0.358494     0.586943  -0.340389    0.59647   2.27319     89.5785     0.297994    89.5785     
1 1 1 17 20 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 21 0  o 35.913  3.58989 2.60045      0.629852  2.60045      0.629852  47.1992     90          20.425      90          
1 1 1 17 21 1  o 16.7742 4.16353 0.491013     0.461285  0.607095     0.438524  14.2319     239.608     3.46141     239.608     
1 1 1 17 21 2  o 27.9706 4.2184  1.10414      0.590173  2.29815      0.612868  32.0314     30.7633     10.6551     30.7633     
1 1 1 17 21 3  o 34.4087 3.60493 2.59572      0.599846  2.23466      0.638902  39.7202     190.767     11.5271     190.767     
1 1 1 17 21 4  o 16.1079 3.93497 0.219135     0.431126  0.729202     0.414299  13.0023     253.087     3.90097     253.087     
1 1 1 17 21 5  o 34.211  3.53466 2.33875      0.613068  2.42319      0.603059  39.7139     129.225     11.9781     129.225     
1 1 1 17 21 6  o 10.8407 3.30896 0.163587     0.358904  -0.19602     0.337554  2.33232     359.287     1.87533     179.287     
1 1 1 17 21 7  o 56.1557 2.89477 6.73543      0.843957  5.65619      0.825663  63.5332     155.799     13.2203     155.799     
1 1 1 17 21 8  o 11.4885 3.37161 -0.141411    0.355113  0.263997     0.337169  2.57488     171.105     12.6105     351.105     
1 1 1 17 21 9  o 31.7167 4.00104 2.48169      0.64657   1.79388      0.616364  26.956      137.357     8.85045     317.357     
1 1 1 17 21 10 o 20.4604 4.10217 0.614479     0.512713  1.16597      0.443513  19.4327     99.8613     1.66349     99.8613     
1 1 1 17 21 11 o 9.74731 2.87339 0.295713     0.298008  -0.522187    0.267508  2.11341     335.397     3.9038      155.397     
1 1 1 17 21 12 o 30.2471 3.59746 1.9526       0.551476  1.85548      0.536636  32.3427     104.365     5.65526     104.365     
1 1 1 17 21 13 o 14.7445 3.80004 0.264012     0.397427  0.527631     0.373648  11.4058     36.9945     0.0411227   36.9943     
1 1 1 17 21 14 o 27.6761 3.7211  1.58103      0.521218  1.66835      0.507036  30.4057     176.268     7.60664     176.268     
1 1 1 17 21 15 o 26.0496 3.76576 1.42841      0.50297   1.48         0.479427  28.4491     38.545      7.3015      38.545      
1 1 1 17 21 16 f 4.82235 1.68938 -0.869769    0.240775  -0.16016     0.11263   7.75276     50.0376     0           0           
1 1 1 17 21 17 f 18.5067 3.66033 0.247923     0.429167  1.17901      0.404375  12.5256     5.88995     0           0           
1 1 1 17 21 18 o 13.7406 3.73751 0.328293     0.398834  0.34238      0.352263  4.79274     51.4564     14.6989     231.456     
1 1 1 17 21 19 o 10.7057 3.27921 -0.00754202  0.361699  0.0785582    0.312259  4.62984     198.244     1.57005     18.2444     
1 1 1 17 21 20 o 24.182  3.97224 1.68758      0.512545  0.98318      0.478654  24.0709     96.1997     2.75789     96.1997     
1 1 1 17 21 21 o 23.5272 4.07166 1.4167       0.509386  1.13251      0.477874  23.7772     73.5535     4.05357     73.5535     
1 1 1 17 21 22 f 19.8802 4.16869 1.21975      0.493991  0.654444     0.452672  5.56827     357.484     0           0           
1 1 1 17 21 23 o 12.6444 3.5341  -0.370818    0.4337    0.550903     0.377875  6.32772     20.7637     0.114677    200.764     
1 1 1 17 21 24 o 18.7274 4.17209 0.3178       0.519441  1.29477      0.501491  14.3022     19.8048     4.24675     199.805     
1 1 1 17 21 25 o 12.7097 3.7883  0.344011     0.447036  0.0813111    0.411277  6.49107     307.653     0.80699     127.653     
1 1 1 17 21 26 o 16.7189 4.05891 0.0757646    0.509371  1.08891      0.478729  14.6952     84.7672     5.05905     84.7672     
1 1 1 17 21 27 o 14.5342 4.16577 0.534205     0.505549  0.3268       0.474661  10.2313     65.4212     1.59915     65.4212     
1 1 1 17 21 28 o 12.8769 3.91663 0.348518     0.491192  0.094273     0.457024  7.00096     335.658     2.00479     155.657     
1 1 1 17 21 29 o 14.6277 4.21139 0.644103     0.522501  0.260857     0.496232  9.30768     91.0407     1.91204     271.041     
1 1 1 17 21 30 o 12.2134 3.75711 -0.742439    0.531488  0.547962     0.492073  3.73365     136.028     1.46245     316.028     
1 1 1 17 21 31 o 29.5917 5.08826 2.04956      0.708477  2.92964      0.843513  30.9812     90.3347     9.04835     90.3347     
1 1 1 17 21 32 o 14.5015 4.52053 -0.421001    0.698538  0.897593     0.721097  7.27858     123.099     0.493589    123.099     
1 1 1 17 21 33 o 15.8993 4.62833 0.518904     0.726411  0.764728     0.550225  7.51058     345.196     3.27632     345.196     
1 1 1 17 21 34 o 11.2142 3.65435 -0.437488    0.515936  0.226926     0.502422  3.52702     156.888     2.80051     336.888     
1 1 1 17 21 35 o 14.3354 4.0127  -0.760095    0.559743  1.10829      0.55959   7.01529     196.485     2.85882     196.485     
1 1 1 17 21 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 22 0  o 6.14565 3.01585 -0.260325    0.335433  -0.260325    0.335433  0.134689    89.9993     0.508188    89.9993     
1 1 1 17 22 1  o 16.8864 3.80558 0.0167306    0.425418  1.03502      0.448507  11.4443     71.0947     7.43202     251.095     
1 1 1 17 22 2  o 35.8506 3.6679  2.19944      0.661154  3.1729       0.632208  46.2453     307.433     22.5022     307.433     
1 1 1 17 22 3  o 28.1411 4.06304 1.89414      0.58108   1.52675      0.56457   33.2244     222.943     12.8744     222.943     
1 1 1 17 22 4  o 12.6134 3.5916  0.379336     0.378163  -0.0464636   0.374581  6.18287     255.478     7.32381     75.4782     
1 1 1 17 22 5  o 19.669  4.05247 0.600466     0.451399  1.07751      0.451312  14.3996     230.323     7.79715     50.3234     
1 1 1 17 22 6  o 36.862  3.2953  2.747        0.615071  2.79599      0.61611   41.6124     303.172     10.4513     303.172     
1 1 1 17 22 7  o 14.2442 3.77712 0.290219     0.389113  0.429419     0.370544  10.5417     180.385     0.36057     0.385484    
1 1 1 17 22 8  o 12.8735 3.37485 0.575225     0.361599  -0.140877    0.312924  6.88156     199.935     6.93329     19.9345     
1 1 1 17 22 9  o 10.2961 3.12276 0.120808     0.317248  -0.0542703   0.282717  3.54607     249.305     3.82308     69.3053     
1 1 1 17 22 10 o 15.6971 3.87355 0.39128      0.413729  0.595757     0.374513  13.063      124.048     6.2099      124.048     
1 1 1 17 22 11 o 15.6949 4.01376 0.438846     0.401839  0.556935     0.437492  9.94579     43.6846     7.72229     223.685     
1 1 1 17 22 12 o 28.2592 3.63093 1.7469       0.461957  1.65748      0.556173  25.6362     358.092     3.56042     178.092     
1 1 1 17 22 13 o 23.8248 4.5647  1.58864      0.478333  1.00805      0.779657  27.6697     101.492     12.0287     101.492     
1 1 1 17 22 14 o 12.3195 3.83538 0.209982     0.369408  -0.416164    0.666362  5.52574     29.0202     1.21399     29.0202     
1 1 1 17 22 15 o 24.5539 4.81321 1.00648      0.501816  2.02707      0.777362  25.7271     130.56      5.84593     130.56      
1 1 1 17 22 16 f 25.3663 4.62502 0.929645     0.480351  2.30646      0.771556  24.861      132.151     0           0           
1 1 1 17 22 17 o 14.955  4.37738 0.236752     0.388091  0.599801     0.705078  0.245796    327.91      27.7123     327.91      
1 1 1 17 22 18 o 13.0041 4.04234 0.118883     0.33737   0.187801     0.702704  5.95073     162.145     1.05473     162.145     
1 1 1 17 22 19 o 22.3276 3.84777 1.97818      0.461954  -0.181096    0.808044  16.0602     227.323     9.48369     47.3228     
1 1 1 17 22 20 o 12.2512 3.90366 0.0215029    0.258209  0.29825      0.718356  3.82176     219.882     0.242152    39.8817     
1 1 1 17 22 21 o 14.8661 3.79386 0.525848     0.352705  0.419357     0.403948  9.52533     33.0686     4.66162     213.069     
1 1 1 17 22 22 f 10.1745 3.07655 0.231852     0.306854  -0.187345    0.299451  8.11314     337.906     0           0           
1 1 1 17 22 23 o 21.6578 3.96099 0.814903     0.481256  1.4289       0.449166  20.592      52.5566     2.63251     52.5566     
1 1 1 17 22 24 o 13.5635 3.77251 0.191318     0.422728  0.484493     0.379168  8.58547     161.537     0.575201    161.537     
1 1 1 17 22 25 o 18.8553 4.37523 0.692794     0.505428  1.13146      0.507347  17.979      12.4495     5.34219     12.4495     
1 1 1 17 22 26 o 9.63206 2.99974 -0.676407    0.371761  0.238376     0.310688  1.08362     106.792     8.47381     286.792     
1 1 1 17 22 27 o 10.8618 3.42042 0.0703682    0.406589  0.000720535  0.370134  2.69725     313.775     4.68444     133.775     
1 1 1 17 22 28 o 30.0818 4.17842 3.04451      0.644108  1.53335      0.61291   29.6987     92.781      4.5126      92.781      
1 1 1 17 22 29 o 12.5031 3.79352 -0.107308    0.470085  0.434373     0.451952  2.96811     216.325     0.807794    36.3253     
1 1 1 17 22 30 f 9.83986 3.28106 -0.0953754   0.464038  -0.361762    0.399759  3.52131     43.9028     0           0           
1 1 1 17 22 31 o 17.0295 4.42691 0.445689     0.552137  1.0977       0.536163  13.0703     296.924     5.44394     296.924     
1 1 1 17 22 32 o 11.5614 3.60216 0.535036     0.48708   -0.562028    0.426159  3.975       200.374     6.99407     20.3743     
1 1 1 17 22 33 o 13.5384 4.09664 0.669552     0.55083   -0.0292995   0.51025   7.16506     113.106     1.47769     113.106     
1 1 1 17 22 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 23 0  o 60.7898 2.88039 7.16228      0.898143  7.16228      0.898143  79.5379     90          36.6735     90          
1 1 1 17 23 1  o 12.2205 3.50488 -0.210781    0.369132  0.431201     0.383482  6.70123     102.063     4.9633      282.063     
1 1 1 17 23 2  o 25.9676 4.10296 1.60929      0.545832  1.39646      0.531644  31.4682     21.7916     14.7863     21.7916     
1 1 1 17 23 3  f 21.3542 4.18616 0.936977     0.483941  1.13009      0.47877   10.3934     259.173     0           0           
1 1 1 17 23 4  o 31.1529 3.9057  2.20103      0.618951  2.02684      0.596337  37.6382     349.501     15.5697     349.501     
1 1 1 17 23 5  f 36.1815 3.36491 2.81143      0.60491   2.65578      0.624857  32.8318     187.619     0           0           
1 1 1 17 23 6  o 11.7299 3.38364 0.202453     0.346716  0.144716     0.302269  4.79315     209.889     9.09123     29.8889     
1 1 1 17 23 7  f 14.0607 3.62244 0.576158     0.345184  0.075857     0.401664  11.3248     141.44      0           0           
1 1 1 17 23 8  o 38.986  3.9961  2.55832      0.666635  4.23846      0.906821  49.2932     310.497     22.8014     310.497     
1 1 1 17 23 9  o 21.4445 4.96332 1.82486      0.721744  0.306188     0.746617  24.7539     186.426     15.138      186.426     
1 1 1 17 23 10 o 27.4684 5.14026 3.07447      0.818803  0.637952     1.04828   33.8582     58.9754     17.6052     58.9754     
1 1 1 17 23 11 o 22.8908 5.9567  2.09434      1.07758   0.960761     0.791935  23.9509     103.662     7.89635     103.662     
1 1 1 17 23 12 o 10.7394 3.62833 -0.512456    0.517229  -0.451865    0.609575  0.713911    113.076     15.38       293.076     
1 1 1 17 23 13 o 21.0394 4.72828 -0.250735    0.704794  2.16298      0.776832  19.9649     109.364     2.62451     109.364     
1 1 1 17 23 14 o 30.242  5.5678  1.92365      0.889429  3.06326      0.91586   30.5377     277.317     4.27806     277.317     
1 1 1 17 23 15 f 26.9354 5.79608 2.39098      0.886211  1.78164      0.905843  26.1627     297.135     0           0           
1 1 1 17 23 16 o 33.0577 5.31155 3.8191       0.934594  2.05616      0.889766  34.1303     218.567     5.89761     218.567     
1 1 1 17 23 17 o 15.6117 4.7263  -0.194433    0.671231  0.896889     0.752919  9.04909     308.761     3.61759     308.761     
1 1 1 17 23 18 f 23.1756 5.68323 1.21832      0.836642  2.01159      0.87088   20.165      278.677     0           0           
1 1 1 17 23 19 o 15.9055 4.83428 0.106078     0.719201  0.806283     0.748735  10.7403     108.688     4.14495     108.688     
1 1 1 17 23 20 o 11.9406 3.99462 -0.064314    0.645555  -0.654423    0.685334  2.06699     233         0.0573113   53          
1 1 1 17 23 21 o 14.2196 4.40319 -0.806591    0.646358  0.901407     0.718308  7.8082      258.588     6.58947     78.5883     
1 1 1 17 23 22 o 20.9748 5.72291 1.16995      0.820336  1.74175      0.944365  19.4144     187.453     3.85591     187.453     
1 1 1 17 23 23 o 13.4184 4.44175 0.370763     0.793876  -0.659342    0.78789   6.96472     188.239     2.11975     8.23891     
1 1 1 17 23 24 o 12.4587 4.21946 -0.698459    0.725927  0.000430296  0.81818   4.65836     167.797     6.28808     347.797     
1 1 1 17 23 25 o 12.9    4.2611  0.43267      0.72074   -1.07176     0.792059  5.10574     15.0006     3.49058     195.001     
1 1 1 17 23 26 o 17.4067 5.18882 1.1767       0.820954  0.552302     0.805136  12.4679     66.3424     0.271564    66.3423     
1 1 1 17 23 27 o 21.7684 4.97443 0.306849     0.54502   2.76704      0.895308  21.0954     291.582     7.24352     291.582     
1 1 1 17 23 28 o 13.7428 4.11893 0.436454     0.564583  0.313923     0.450875  7.12835     203.29      0.688598    23.2903     
1 1 1 17 23 29 o 10.9798 3.29322 0.413787     0.373653  -0.22196     0.3194    2.88149     220.423     2.10242     40.4227     
1 1 1 17 23 30 o 15.7711 4.3648  0.582526     0.552717  0.737669     0.495777  10.1346     268.085     4.44971     88.0848     
1 1 1 17 23 31 f ?       ?       ?            ?         ?            ?         14.2139     356.417     0           0           
1 1 1 17 23 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 24 0  o 8.67405 3.86184 0.119765     0.365798  0.119765     0.365798  0.24446     90.0003     0.699601    270         
1 1 1 17 24 1  o 13.3076 3.74757 0.407993     0.39749   0.15848      0.389123  8.51231     309.158     1.70839     129.158     
1 1 1 17 24 2  o 21.2272 4.11643 1.26514      0.477626  0.829106     0.471121  18.4836     70.3803     1.6739      250.38      
1 1 1 17 24 3  o 21.9331 4.07865 1.1522       0.477353  1.06739      0.462469  17.5969     5.12685     5.29114     185.127     
1 1 1 17 24 4  o 14.795  3.91659 0.386614     0.376166  0.50431      0.433723  9.35521     263.521     5.58782     83.5214     
1 1 1 17 24 5  o 14.5017 4.48355 0.45679      0.636937  -0.138851    0.680292  9.66087     281.921     1.8281      281.921     
1 1 1 17 24 6  o 14.9477 4.61012 0.315656     0.624912  0.213642     0.725901  6.61368     246.669     12.0137     66.6692     
1 1 1 17 24 7  o 24.6027 5.49641 2.16803      0.815517  1.16726      0.837185  22.6077     304.81      0.403635    304.81      
1 1 1 17 24 8  o 20.4425 4.88053 1.77083      0.711812  0.172729     0.730759  21.1898     212.05      9.79802     212.05      
1 1 1 17 24 9  o 19.2583 5.17071 0.372632     0.739762  1.46172      0.775133  16.9415     315.539     1.87661     315.539     
1 1 1 17 24 10 o 14.3463 4.53115 0.512477     0.632165  -0.913304    0.944834  8.89771     161.293     1.62262     341.293     
1 1 1 17 24 11 o 23.9198 6.38774 2.49226      1.13325   1.33618      1.10728   25.4098     227.642     11.2113     227.642     
1 1 1 17 24 12 o 13.2832 4.41664 -0.85812     0.99422   0.0515054    0.653861  5.81781     114.544     0.253548    114.544     
1 1 1 17 24 13 o 21.4805 5.4556  1.71303      0.803748  0.937243     0.794188  21.0527     149.372     6.01326     149.372     
1 1 1 17 24 14 o 22.0593 5.49988 0.939372     0.797385  1.92491      0.83513   21.5836     62.6148     5.50713     62.6148     
1 1 1 17 24 15 o 24.9391 5.61842 1.33552      0.841002  2.40461      0.867341  23.4681     205.542     2.19557     205.542     
1 1 1 17 24 16 o 21.386  5.58075 1.41518      0.795905  1.38393      0.840002  15.4661     36.857      7.03798     216.857     
1 1 1 17 24 17 o 32.8783 5.62073 3.63368      0.976378  2.62028      0.936209  29.9224     181.566     1.68972     1.56615     
1 1 1 17 24 18 o 17.5187 5.10107 0.495879     0.719971  1.13264      0.791849  13.922      143.896     6.62951     143.896     
1 1 1 17 24 19 o 16.4015 4.94759 0.893367     0.728447  0.318543     0.801043  11.7074     103.251     4.08216     103.251     
1 1 1 17 24 20 o 11.1578 3.81306 -0.319324    0.637152  -0.844813    0.72084   2.49175     282.75      8.91683     102.75      
1 1 1 17 24 21 o 17.3434 5.27228 0.307113     0.800394  1.35339      0.933551  12.0995     217.591     2.19891     37.5914     
1 1 1 17 24 22 o 16.0351 4.91459 1.05629      0.792697  0.0183141    0.785394  10.1937     53.9615     0.493529    53.9616     
1 1 1 17 24 23 o 15.0368 4.62078 -1.0022      0.722333  1.26249      0.802042  8.4014      160.613     0.235514    340.613     
1 1 1 17 24 24 o 18.9627 5.44807 -0.293709    0.888645  2.34537      1.02457   15.1002     141.268     1.30268     141.268     
1 1 1 17 24 25 o 15.7727 4.99878 0.337409     0.785402  0.850575     0.900388  8.51068     94.3957     7.16439     274.396     
1 1 1 17 24 26 o 15.6476 4.86807 -0.251752    0.803076  1.21794      0.829484  9.93999     119.78      2.51817     119.78      
1 1 1 17 24 27 o 16.3514 5.05785 1.41398      0.894176  0.0488119    0.796052  10.7656     215.984     4.34171     215.984     
1 1 1 17 24 28 o 14.2562 4.69087 -0.00540743  0.828223  0.510602     0.859071  8.8303      309.912     0.142727    309.912     
1 1 1 17 24 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 25 0  f 22.3949 4.53548 1.22553      0.456329  1.22553      0.456329  1.19546     89.9995     0           0           
1 1 1 17 25 1  o 17.1523 3.83359 0.315775     0.420311  0.999012     0.412852  15.4539     168.023     5.72644     168.023     
1 1 1 17 25 2  o 16.9124 4.4162  0.690085     0.402587  0.613892     0.671728  10.2651     16.914      8.34251     196.914     
1 1 1 17 25 3  o 25.7592 5.17064 2.52984      0.779782  1.13061      0.788974  30.6393     193.155     17.3366     193.155     
1 1 1 17 25 4  o 15.2349 4.40232 -0.520824    0.573932  1.07933      0.67432   10.8744     328.053     2.17508     328.053     
1 1 1 17 25 5  o 30.9891 5.45072 2.15695      0.866371  3.17852      0.902647  37.3772     282.184     18.6239     282.184     
1 1 1 17 25 6  o 18.1288 5.22715 0.622249     0.765506  1.07096      0.796486  15.8934     346.133     5.37971     346.133     
1 1 1 17 25 7  f 24.8283 5.66068 1.16097      0.821561  2.58276      0.92518   14.7379     188.64      0           0           
1 1 1 17 25 8  o 15.4129 4.70117 0.600121     0.674369  0.200813     0.713735  11.1312     61.4222     1.41005     61.4222     
1 1 1 17 25 9  o 17.5943 5.09633 0.464394     0.729148  1.08363      0.775357  15.0718     201.388     4.39256     201.388     
1 1 1 17 25 10 o 10.9656 3.71804 -0.619523    0.535033  -0.242557    0.65742   3.08612     24.0282     8.13003     204.028     
1 1 1 17 25 11 o 34.1134 6.28151 3.46949      0.982144  3.88554      1.27988   37.0922     112.641     11.2566     112.641     
1 1 1 17 25 12 o 18.4322 5.59913 1.23834      1.13556   0.802031     0.793302  15.5623     312.865     2.18909     312.865     
1 1 1 17 25 13 o 17.0531 4.95288 0.132146     0.706063  1.24791      0.772283  12.7421     151.015     1.58455     331.015     
1 1 1 17 25 14 o 20.8965 5.39209 0.730316     0.784569  1.94547      0.83283   20.7508     335.721     9.51488     335.721     
1 1 1 17 25 15 o 21.9736 5.62953 2.0143       0.854051  1.1121       0.874433  19.467      107.969     1.75211     107.969     
1 1 1 17 25 16 o 21.0741 5.51781 0.921299     0.832897  1.90356      0.843694  19.2424     315.243     4.50957     315.243     
1 1 1 17 25 17 o 14.0992 4.53492 -0.409975    0.702503  0.672061     0.782512  6.64137     56.0407     6.27312     236.041     
1 1 1 17 25 18 o 12.2132 4.11146 0.171934     0.721685  -1.09845     0.768465  2.32854     251.815     11.9993     71.8148     
1 1 1 17 25 19 o 22.033  5.95075 1.55602      0.917672  1.96468      0.977687  19.703      12.9148     4.20463     12.9148     
1 1 1 17 25 20 o 22.6815 4.97928 3.1438       0.92669   -0.284271    0.815549  23.1946     241.809     10.6599     241.809     
1 1 1 17 25 21 o 18.4862 5.40685 1.31484      0.838282  0.902937     0.87154   14.8599     16.7022     4.90357     16.7022     
1 1 1 17 25 22 o 15.9851 5.00574 0.614374     0.825283  0.686467     0.817648  10.5646     229.578     1.34892     49.5783     
1 1 1 17 25 23 o 12.6559 4.27501 -0.693695    0.746641  0.26181      0.82525   3.14809     292.344     12.5128     112.344     
1 1 1 17 25 24 o 16.5498 5.16028 -0.114189    0.868307  1.56019      0.950751  12.3618     112.873     2.27316     112.873     
1 1 1 17 25 25 o 16.3033 5.17297 0.536243     0.825511  1.04031      0.981812  11.5899     277.567     4.33575     277.567     
1 1 1 17 25 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 26 0  o 9.33444 4.22538 0.144254     0.459609  0.144254     0.459609  1.14766     270         17.2431     270         
1 1 1 17 26 1  o 17.5818 4.73925 0.942396     0.581374  0.653414     0.639295  14.4281     145.323     1.2232      145.323     
1 1 1 17 26 2  o 13.8188 4.18685 -0.232033    0.528871  0.686549     0.59691   8.00757     323.426     0.407519    323.426     
1 1 1 17 26 3  o 12.882  3.80024 0.764116     0.520171  -1.22566     0.557998  6.62402     266.159     0.966152    86.1587     
1 1 1 17 26 4  o 23.2065 4.8927  2.50526      0.762971  0.457882     0.782475  20.3285     300.429     0.354794    120.429     
1 1 1 17 26 5  o 14.1149 4.3675  0.593025     0.60539   -0.228013    0.687902  7.56829     322.495     1.10573     322.495     
1 1 1 17 26 6  f 12.1804 4.02249 -0.223506    0.558137  -0.0140565   0.685382  5.14364     106.375     0           0           
1 1 1 17 26 7  o 12.3208 4.09997 -0.0656254   0.620784  -0.365867    0.739669  4.54326     355.55      1.75937     175.55      
1 1 1 17 26 8  o 17.7628 4.7803  -0.615299    0.692511  1.84533      0.803613  14.5615     275.203     2.81614     275.203     
1 1 1 17 26 9  o 16.768  4.87092 1.43614      0.792073  -0.372463    0.746009  11.8074     227.15      1.59035     47.1501     
1 1 1 17 26 10 o 11.3014 3.83237 -0.389237    0.600206  -0.44307     0.69025   2.59155     242.845     7.92278     62.8445     
1 1 1 17 26 11 o 19.7035 5.21874 0.298853     0.775932  1.9427       0.831686  16.8708     252.336     3.29715     252.336     
1 1 1 17 26 12 o 18.1235 5.133   1.72358      0.817362  -0.712857    1.07277   14.0743     290.486     3.26793     290.486     
1 1 1 17 26 13 o 16.368  5.20778 0.676639     1.07443   0.582678     0.794491  3.59034     139.558     1.40532     139.558     
1 1 1 17 26 14 o 17.1009 5.08141 1.1904       0.788007  0.30425      0.804612  6.9845      287.952     3.22912     287.952     
1 1 1 17 26 15 o 17.2989 5.18587 1.26773      0.824132  0.272766     0.877957  4.90674     218.1       2.51301     218.1       
1 1 1 17 26 16 o 19.0898 5.46842 0.234939     0.910558  1.99073      0.940777  12.0903     210.582     7.25551     30.582      
1 1 1 17 26 17 o 15.3    4.92663 0.833338     0.87917   -0.0630898   0.877193  3.62943     334.258     1.33383     334.258     
1 1 1 17 26 18 o 11.6369 3.98183 -0.171926    0.706962  -0.92733     0.795917  0.0949979   143.566     17.6453     143.566     
1 1 1 17 26 19 o 18.2578 5.32527 0.642945     0.824302  1.5697       0.859107  13.2652     318.48      6.93601     318.48      
1 1 1 17 26 20 o 13.8584 4.58758 0.326553     0.805562  -0.0748243   0.856656  7.73174     304.216     0.957355    124.216     
1 1 1 17 26 21 o 12.1104 4.13305 -0.36156     0.701302  -0.312734    0.850643  4.11658     274.895     0.459922    94.895      
1 1 1 17 26 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 26 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 27 0  o 42.1717 9.37693 6.14935      1.79982   6.14935      1.79982   56.6636     90          32.7047     90          
1 1 1 17 27 1  o 19.8901 6.42526 1.50758      1.51072   1.9736       1.45861   13.5466     171.159     4.4874      351.159     
1 1 1 17 27 2  o 14.4844 4.48673 0.451277     0.717064  0.294806     0.566245  5.90429     69.1565     9.45702     249.157     
1 1 1 17 27 3  o 14.8659 4.47258 0.187041     0.585008  0.692078     0.636505  7.05958     46.239      0.773388    46.239      
1 1 1 17 27 4  o 13.078  4.17149 0.25885      0.578532  -0.0445311   0.633506  5.16647     39.1097     3.41145     219.11      
1 1 1 17 27 5  o 31.3937 5.61552 3.50452      0.921856  2.45746      0.94861   35.5671     258.093     16.2561     258.093     
1 1 1 17 27 6  o 16.3546 4.8812  1.05636      0.728417  0.106235     0.778774  10.1253     119.172     3.7543      299.172     
1 1 1 17 27 7  o 18.0522 5.25291 0.776856     0.755751  1.17638      0.829603  13.5817     248.666     4.48041     248.666     
1 1 1 17 27 8  o 19.7505 5.60764 0.642235     0.93972   1.89946      0.927852  16.8489     340.983     6.1757      340.983     
1 1 1 17 27 9  o 15.281  4.81735 0.215435     0.766808  0.684393     0.790399  8.75702     245.192     3.83385     65.1921     
1 1 1 17 27 10 o 14.9719 4.73827 0.11709      0.772239  0.655953     0.760881  8.75883     114.004     1.77563     294.004     
1 1 1 17 27 11 o 13.1872 4.38016 0.0171986    0.750829  -0.0859762   0.775059  4.96964     29.9589     0.620817    209.959     
1 1 1 17 27 12 o 14.6125 4.85046 0.276387     0.742604  0.105182     1.17125   6.47494     97.1376     8.93499     277.138     
1 1 1 17 27 13 o 22.0624 6.47677 3.38142      1.30704   1.11178      1.42232   20.6747     129.823     7.81916     129.823     
1 1 1 17 27 14 o 12.881  4.35628 -1.50346     0.617733  1.00116      0.927178  5.92772     283.264     3.15889     103.264     
1 1 1 17 27 15 o 10.4287 3.67377 -1.20249     0.630134  -0.63683     0.846583  2.31433     178.354     3.4102      358.354     
1 1 1 17 27 16 o 18.4524 5.52935 1.30213      0.917575  1.14599      0.916078  14.9433     337.376     1.66174     337.376     
1 1 1 17 27 17 o 15.5737 4.92667 0.477899     0.80217   0.710829     0.831438  10.6509     85.251      3.33869     85.251      
1 1 1 17 27 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 27 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 28 0  o 9.2579  4.75661 -1.59368     1.27887   -1.59368     1.27887   0.591716    90.0001     2.68536     270         
1 1 1 17 28 1  o 18.497  6.08595 -0.312202    1.497     2.81115      1.49992   13.7881     284.096     5.73026     284.096     
1 1 1 17 28 2  o 17.5282 5.92014 -1.02242     1.82329   2.2699       1.49743   8.59816     342.302     11.1676     162.302     
1 1 1 17 28 3  o 17.6874 6.04718 3.03917      1.78735   -0.867162    1.54015   12.4245     145.354     4.3403      145.354     
1 1 1 17 28 4  f 14.3248 4.37697 0.156808     0.557701  0.68226      0.639856  7.52343     354.795     0           0           
1 1 1 17 28 5  o 12.4041 4.072   -0.0878157   0.584032  0.10712      0.667076  5.26149     235.524     2.05056     55.5243     
1 1 1 17 28 6  o 13.459  4.26933 0.720982     0.662248  -0.625012    0.678352  2.89963     338.676     0.7356      338.676     
1 1 1 17 28 7  o 10.0265 3.475   -0.527126    0.568187  -0.907123    0.667799  1.37222     230.852     8.91874     50.8517     
1 1 1 17 28 8  o 23.7551 5.25652 3.20388      0.915768  0.37581      0.963456  26.0606     148.848     17.3856     148.848     
1 1 1 17 28 9  o 16.7619 5.21316 0.180338     0.863607  1.40688      0.939543  12.8103     355.323     3.51631     355.323     
1 1 1 17 28 10 o 12.5971 4.2259  0.240894     0.718438  -0.856234    0.841423  5.31647     211.471     0.0851308   31.4703     
1 1 1 17 28 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 28 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 17 28 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 0  0  o 287.943 3.58679 152.457      5.34982   152.457      5.34982   354.68      180         30.0964     180         
1 1 1 18 0  1  o 24.0252 6.15964 1.41799      0.704507  1.41799      0.704507  2.04994     270         23.1401     89.9999     
1 1 1 18 0  2  o 54.4096 3.2939  5.56533      0.912711  5.56533      0.912711  85.1127     180         51.1343     180         
1 1 1 18 0  3  o 8.48499 4.15457 -0.516819    0.627553  -0.516819    0.627553  7.65626     270         16.6587     270         
1 1 1 18 0  4  o 90.2247 2.72243 15.0428      1.26796   15.0428      1.26796   124.724     180         36.8306     180         
1 1 1 18 0  5  o 74.5698 2.87574 10.3145      1.10398   10.3145      1.10398   93.3651     270         11.1145     270         
1 1 1 18 0  6  o 60.0491 3.09679 6.73855      0.951905  6.73855      0.951905  52.7497     1.27922e-10 35.7988     180         
1 1 1 18 0  7  o 90.8181 2.72203 15.2442      1.27619   15.2442      1.27619   112.644     270         11.7357     270         
1 1 1 18 0  8  o 16.4874 6.06577 0.738058     0.674154  0.738058     0.674154  3.9048      8.65367e-06 12.4241     8.65367e-06 
1 1 1 18 0  9  o 16.666  5.96101 0.759781     0.639665  0.759781     0.639665  4.17913     90          13.4774     90          
1 1 1 18 0  10 o 58.9961 3.11606 6.51368      0.940418  6.51368      0.940418  92.4932     360         49.3272     360         
1 1 1 18 0  11 o 138.127 2.51757 35.1468      1.79986   35.1468      1.79986   166.349     90          9.43637     90          
1 1 1 18 0  12 o 40.698  3.80958 3.21268      0.764461  3.21268      0.764461  41.3342     5.02719e-11 10.2229     180         
1 1 1 18 0  13 o 14.2684 5.61737 0.520355     0.616023  0.520355     0.616023  9.9206      90          30.67       90          
1 1 1 18 0  14 o 77.7923 2.80015 11.2297      1.12243   11.2297      1.12243   78.0929     0           24.9767     180         
1 1 1 18 0  15 o 16.7658 5.90415 0.775116     0.622599  0.775116     0.622599  2.93965     90          25.1913     90          
1 1 1 18 0  16 o 35.6702 4.27433 2.54929      0.722198  2.54929      0.722198  34.912      180         12.5233     360         
1 1 1 18 0  17 o 9.52251 4.44873 -0.117124    0.569175  -0.117124    0.569175  6.57658     270         18.4068     270         
1 1 1 18 0  18 o 7.36723 3.6986  -0.791407    0.599216  -0.791407    0.599216  6.72574     180         16.0404     180         
1 1 1 18 0  19 o 48.724  3.95668 4.57996      0.965172  4.57996      0.965172  52.3861     90          7.47071     270         
1 1 1 18 0  20 o 134.216 2.57672 33.3117      1.78969   33.3117      1.78969   193.631     360         78.8676     360         
1 1 1 18 0  21 o 29.1501 5.23452 1.86389      0.683816  1.86389      0.683816  30.9915     90          3.54419     270         
1 1 1 18 0  22 o 67.486  2.87502 8.52098      0.997296  8.52098      0.997296  77.2856     180         0.359421    180         
1 1 1 18 0  23 o 25.8965 5.58307 1.56666      0.65442   1.56666      0.65442   27.3727     90          1.83643     270         
1 1 1 18 0  24 o 54.9384 3.66033 5.78368      1.01986   5.78368      1.01986   63.5702     180         2.35859     180         
1 1 1 18 0  25 o 41.7989 4.07544 3.4595       0.835278  3.4595       0.835278  76.9014     90          62.3368     90          
1 1 1 18 0  26 o 25.0866 6.03343 1.55497      0.70314   1.55497      0.70314   9.52628     180         37.5276     8.65138e-06 
1 1 1 18 0  27 o 9.68166 4.47233 -0.0288416   0.551108  -0.0288416   0.551108  0.164799    270         1.69415     270         
1 1 1 18 0  28 o 12.8914 5.54854 0.340488     0.695218  0.340488     0.695218  0.645599    8.65142e-06 27.7731     8.65142e-06 
1 1 1 18 0  29 o 73.5751 3.44545 10.3174      1.30062   10.3174      1.30062   71.6244     270         20.9749     90          
1 1 1 18 0  30 o 70.5919 2.93041 9.41428      1.06376   9.41428      1.06376   93.4684     360         29.9819     360         
1 1 1 18 0  31 o 15.2278 5.73408 0.676494     0.613482  0.676494     0.613482  2.05774     89.9995     0.970482    89.9995     
1 1 1 18 0  32 o 12.5449 5.25593 0.384353     0.591355  0.384353     0.591355  2.77226     360         0.0760283   360         
1 1 1 18 0  33 o 29.4393 5.46731 1.99486      0.720826  1.99486      0.720826  32.8228     270         1.00085     270         
1 1 1 18 0  34 o 28.3716 6.41978 2.02566      0.832099  2.02566      0.832099  25.6271     180         10.7729     8.65151e-06 
1 1 1 18 0  35 o 45.5215 4.50079 4.26609      1.00258   4.26609      1.00258   46.3123     270         6.44763     90          
1 1 1 18 0  36 o 12.1103 5.20057 0.340955     0.607781  0.340955     0.607781  5.91474     4.09573e-11 1.19827     180         
1 1 1 18 0  37 o 32.3311 5.18274 2.3538       0.75735   2.3538       0.75735   20.9785     270         27.7443     90          
1 1 1 18 0  38 f 17.6559 6.18043 0.991553     0.68039   0.991553     0.68039   15.0277     180         0           0           
1 1 1 18 0  39 o 7.7725  3.85699 -0.518302    0.592913  -0.518302    0.592913  0.142772    270         1.24489     90          
1 1 1 18 0  40 o 12.8539 5.44742 0.476504     0.649068  0.476504     0.649068  6.69277     180         2.61913     180         
1 1 1 18 0  41 o 8.14874 4.0327  -0.474427    0.635349  -0.474427    0.635349  0.548044    270         1.08241     90          
1 1 1 18 0  42 o 15.1356 6.03727 0.809986     0.723242  0.809986     0.723242  11.9002     1.5177e-07  7.10879     180         
1 1 1 18 0  43 o 25.9102 7.18278 2.1488       0.92334   2.1488       0.92334   20.8409     90          12.4384     270         
1 1 1 18 0  44 o 5.41451 2.82441 -1.64513     0.587479  -1.64513     0.587479  1.09735     8.06143e-06 3.40052     8.06143e-06 
1 1 1 18 0  45 o 12.2601 5.42161 0.466913     0.708005  0.466913     0.708005  8.00167     90          0.242952    270         
1 1 1 18 0  46 o 8.43601 4.16009 -0.341475    0.659441  -0.341475    0.659441  0.761209    180         4.70737     8.61513e-06 
1 1 1 18 0  47 o 10.8922 5.01053 0.268217     0.681484  0.268217     0.681484  0.480899    270         0.243854    90.0002     
1 1 1 18 0  48 o 11.0813 5.18768 0.24716      0.780418  0.24716      0.780418  3.104       2.0812e-09  10.7852     180         
1 1 1 18 0  49 o 16.7944 7.40681 1.64793      1.31226   1.64793      1.31226   11.2009     90          10.476      270         
1 1 1 18 0  50 o 13.2155 5.74899 0.736039     0.764465  0.736039     0.764465  2.57821     1.62407e-11 0.902461    1.62407e-11 
1 1 1 18 0  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 1  0  o 29.7307 5.44438 1.92544      0.725028  1.92544      0.725028  6.03424     8.65225e-06 79.0851     8.65223e-06 
1 1 1 18 1  1  o 106.932 2.62404 19.686       1.43345   22.5419      1.46816   130.555     254.879     14.7485     254.879     
1 1 1 18 1  2  o 124.692 2.54785 30.0302      1.65489   27.3198      1.63342   113.511     136.388     63.1879     316.388     
1 1 1 18 1  3  o 94.2904 2.69523 15.1087      1.30263   17.7673      1.32138   103.514     96.7398     9.2186      276.74      
1 1 1 18 1  4  o 34.9721 4.36818 1.88572      0.747607  2.83563      0.767739  21.8637     339.768     18.8854     159.768     
1 1 1 18 1  5  o 14.3757 4.27972 -0.81335     0.593287  0.422535     0.611675  9.11418     97.6258     24.5929     97.6258     
1 1 1 18 1  6  o 56.2131 3.15234 5.96368      0.911283  5.78555      0.910608  46.2041     237.941     30.7533     57.9409     
1 1 1 18 1  7  o 41.6417 3.7786  2.84599      0.785846  3.71765      0.79555   34.7657     276.964     12.0683     96.9644     
1 1 1 18 1  8  o 71.8584 2.88446 9.84934      1.07588   9.28105      1.06372   74.1269     250.937     12.5071     70.9373     
1 1 1 18 1  9  o 137.707 2.52085 36.4406      1.80862   33.5288      1.78702   165.999     257.84      13.4093     257.84      
1 1 1 18 1  10 o 38.9408 3.93793 3.30581      0.758253  2.47336      0.769832  11.1094     305.215     59.1726     125.215     
1 1 1 18 1  11 o 15.2895 4.44625 -0.396293    0.592533  0.456359     0.611156  14.0419     350.953     41.3837     350.953     
1 1 1 18 1  12 o 88.8833 2.70333 15.2523      1.24801   13.9991      1.23592   77.5929     5.53539     48.078      185.535     
1 1 1 18 1  13 o 105.772 2.61572 21.281       1.43939   20.1067      1.42399   129.303     221.686     16.3092     221.686     
1 1 1 18 1  14 o 61.1406 3.05579 6.28978      0.956781  7.6717       0.960094  66.853      55.0484     2.09697     235.049     
1 1 1 18 1  15 o 19.3547 4.71959 1.03977      0.634267  0.12713      0.597356  27.7089     10.386      93.7383     10.386      
1 1 1 18 1  16 o 22.2975 4.92362 0.730892     0.644715  1.13456      0.634569  6.41498     38.6482     27.0155     218.648     
1 1 1 18 1  17 o 43.3199 3.75839 3.91468      0.837279  3.23338      0.810682  30.7485     241.87      34.4575     61.8704     
1 1 1 18 1  18 o 26.2384 5.17083 1.36081      0.747088  1.36092      0.712044  14.8213     119.702     22.6472     299.702     
1 1 1 18 1  19 o 39.1215 4.42677 2.5754       0.859631  3.3957       0.86394   48.8018     155.19      16.2358     155.19      
1 1 1 18 1  20 o 50.9183 3.50084 5.28819      0.919833  4.55398      0.901628  54.7475     285.12      3.01194     105.12      
1 1 1 18 1  21 o 67.7955 2.91227 9.1967       1.03151   8.05124      1.0038    87.3555     356.313     23.1967     356.313     
1 1 1 18 1  22 o 30.7846 4.57969 1.63215      0.725008  2.15147      0.690648  23.9684     250.211     15.7553     70.2113     
1 1 1 18 1  23 o 31.4053 4.56809 2.75762      0.73127   1.27147      0.716802  27.8251     1.62462     9.43201     181.625     
1 1 1 18 1  24 o 15.1817 4.3676  -0.541595    0.587312  0.593635     0.606399  3.43089     168.184     6.77746     348.184     
1 1 1 18 1  25 o 47.4246 3.56162 3.91856      0.822877  4.78191      0.900628  33.7492     156.555     37.378      336.555     
1 1 1 18 1  26 o 27.5289 4.91093 1.32469      0.698331  1.8159       0.711838  24.7624     101.157     7.14831     281.157     
1 1 1 18 1  27 o 11.2459 3.74977 -0.333595    0.573252  -0.891225    0.578924  0.768303    44.0264     5.82433     224.026     
1 1 1 18 1  28 o 15.7689 4.69329 -0.47961     0.667506  0.560535     0.715872  9.8102      144.58      1.35955     324.58      
1 1 1 18 1  29 o 18.8878 4.99874 0.0870103    0.704067  0.990468     0.69804   8.53454     236.929     20.6693     56.9285     
1 1 1 18 1  30 o 71.176  2.95278 10.2467      1.0964    9.18251      1.07146   83.5925     106.079     10.204      106.079     
1 1 1 18 1  31 o 24.1303 4.95245 1.15975      0.654018  1.32534      0.659366  26.0555     128.938     3.81668     128.938     
1 1 1 18 1  32 o 14.8746 4.44464 -0.0584246   0.591886  0.329048     0.601596  10.4127     319.885     3.09438     139.885     
1 1 1 18 1  33 o 39.5765 4.40195 2.40246      0.846421  4.24105      0.845513  49.4622     354.434     14.928      354.434     
1 1 1 18 1  34 o 39.0557 4.23695 3.19835      0.851018  3.16266      0.809294  43.9903     4.18248     5.0881      4.18247     
1 1 1 18 1  35 o 19.5389 4.59704 1.50511      0.670924  -0.32114     0.677449  18.5578     266.403     0.449261    266.403     
1 1 1 18 1  36 o 19.2683 4.60183 1.50466      0.683879  -0.33094     0.65692   20.3197     306.26      7.03449     306.26      
1 1 1 18 1  37 o 16.7549 4.66278 0.866909     0.642442  -0.0684836   0.632147  14.5967     223.195     0.145555    223.195     
1 1 1 18 1  38 o 16.0169 4.53031 0.899323     0.647869  -0.375043    0.625652  10.1308     106.346     9.57248     286.346     
1 1 1 18 1  39 o 13.0023 4.1498  -0.573806    0.599148  0.250753     0.62774   0.250668    193.626     25.0876     193.626     
1 1 1 18 1  40 o 25.8372 5.1567  1.927        0.734842  1.43578      0.719562  28.4895     109.116     5.77154     109.116     
1 1 1 18 1  41 o 16.3131 4.7198  0.943992     0.68061   -0.126478    0.690258  10.2743     72.9534     10.2014     252.953     
1 1 1 18 1  42 o 15.7879 4.70402 0.218576     0.653411  0.671143     0.676225  10.1652     136.312     5.67125     136.312     
1 1 1 18 1  43 o 18.9332 5.41962 0.977843     0.82058   1.02869      0.830949  15.3131     93.7229     3.98143     273.723     
1 1 1 18 1  44 o 14.9065 4.70394 0.282081     0.728393  0.361959     0.750183  4.38846     236.868     18.4088     56.8678     
1 1 1 18 1  45 o 24.8479 5.6515  2.23483      0.878707  1.70441      0.776879  21.7979     9.62193     4.23651     189.622     
1 1 1 18 1  46 o 10.8436 3.7234  -0.851576    0.685749  -0.343273    0.642928  3.46595     201.086     1.80695     21.0863     
1 1 1 18 1  47 o 17.2331 5.05375 0.879958     0.738759  0.929673     0.741967  14.0709     340.673     0.512753    340.673     
1 1 1 18 1  48 o 13.6344 4.49825 0.0186959    0.818947  0.2366       0.752098  6.84057     350.289     0.918369    170.289     
1 1 1 18 1  49 o 15.5071 5.14872 0.698544     0.969858  0.470725     1.16112   9.64467     235.76      2.87316     235.76      
1 1 1 18 1  50 o 23.3736 5.31628 3.3962       0.949361  0.683872     0.7714    25.5118     290.521     9.66451     290.521     
1 1 1 18 1  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 2  0  o 8.82506 4.24282 -0.32517     0.589599  -0.32517     0.589599  24.608      180         53.8636     180         
1 1 1 18 2  1  o 37.1135 4.10963 3.06894      0.771327  2.19849      0.746512  15.3986     23.0301     44.1026     203.03      
1 1 1 18 2  2  o 35.1526 4.38503 3.56956      0.760127  1.36822      0.736663  15.0186     115.694     38.3483     295.694     
1 1 1 18 2  3  o 216.681 2.47256 85.9796      2.77406   86.9392      2.78018   289.235     152.618     71.2111     152.618     
1 1 1 18 2  4  o 26.0181 4.93783 1.03362      0.683142  1.58039      0.692463  4.70638     185.355     14.5149     5.35464     
1 1 1 18 2  5  o 96.9863 2.66204 18.7274      1.3422    16.0535      1.32452   124.784     139.164     28.4549     139.164     
1 1 1 18 2  6  o 40.8563 3.76873 3.54167      0.772232  2.77435      0.77442   34.497      9.54746     9.50455     189.547     
1 1 1 18 2  7  o 90.0706 2.68627 15.7646      1.25486   14.231       1.24579   110.346     219.648     16.4155     219.648     
1 1 1 18 2  8  o 72.8564 2.85413 10.1167      1.08188   9.54597      1.06519   74.832      28.7894     13.4512     208.789     
1 1 1 18 2  9  o 35.1552 4.20881 2.40953      0.747589  2.317        0.731701  13.9564     236.082     40.7943     56.0817     
1 1 1 18 2  10 o 47.9951 3.39604 4.0949       0.823502  4.53214      0.842641  26.0477     14.8449     51.962      194.845     
1 1 1 18 2  11 o 45.2895 3.5203  4.63655      0.81257   3.13952      0.788968  35.3616     126.705     25.0206     306.705     
1 1 1 18 2  12 o 22.8425 4.98503 0.776911     0.659291  1.17623      0.654215  0.952475    237.792     36.4144     237.792     
1 1 1 18 2  13 o 34.3011 4.31172 2.71243      0.73165   1.85299      0.734197  14.094      121.575     42.5005     301.575     
1 1 1 18 2  14 o 62.2577 2.94251 7.324        0.950383  7.10268      0.937894  82.2229     200.705     27.4903     200.705     
1 1 1 18 2  15 o 45.243  3.46354 3.91845      0.801163  3.7935       0.797371  43.3471     243.813     11.4655     63.8128     
1 1 1 18 2  16 o 44.8541 3.74872 3.81988      0.859653  3.80823      0.84987   38.4888     277.062     21.7647     97.0617     
1 1 1 18 2  17 o 40.946  3.94408 2.91221      0.823237  3.50954      0.797241  21.9252     297.545     46.75       117.545     
1 1 1 18 2  18 o 65.5904 3.13332 7.80679      1.05689   8.31157      1.06048   98.8123     265.225     51.9784     265.225     
1 1 1 18 2  19 o 62.9816 3.19402 7.67181      1.05284   7.23013      1.01885   68.051      76.8433     5.32368     256.843     
1 1 1 18 2  20 o 17.4008 4.77026 0.0966474    0.634931  0.621212     0.62678   3.43381     52.9129     18.1405     232.913     
1 1 1 18 2  21 o 30.9297 4.80563 1.97222      0.726825  1.848        0.772079  32.4488     25.5567     4.07912     25.5567     
1 1 1 18 2  22 o 114.447 2.77274 24.3885      1.64472   24.6097      1.64021   139.5       6.07307     19.6513     6.07307     
1 1 1 18 2  23 o 45.1514 3.55339 3.54776      0.781065  4.28815      0.853486  56.7579     65.653      16.1397     65.653      
1 1 1 18 2  24 o 37.7208 4.02923 3.89711      0.758453  1.85352      0.709844  21.4447     230.69      39.4175     50.6896     
1 1 1 18 2  25 f 49.2098 3.29217 4.80575      0.832748  4.4753       0.82611   37.9616     78.1108     0           0           
1 1 1 18 2  26 o 27.5543 4.8016  1.52559      0.654245  1.60834      0.70853   28.9658     350.685     2.15317     350.685     
1 1 1 18 2  27 o 31.2641 4.96354 1.98721      0.773067  2.08872      0.796317  27.0764     347.333     12.2052     167.333     
1 1 1 18 2  28 o 35.6357 4.79732 2.61199      0.829974  2.64606      0.87736   17.4151     320.105     42.72       140.105     
1 1 1 18 2  29 o 31.9911 4.97615 2.36505      0.850198  1.9529       0.75678   33.053      256.454     1.74411     76.454      
1 1 1 18 2  30 o 36.3003 4.38815 2.09436      0.811146  3.34984      0.741133  48.5804     114.484     20.2515     114.484     
1 1 1 18 2  31 o 47.185  3.48041 4.46067      0.83994   4.30442      0.837366  54.2447     117.867     6.03948     117.867     
1 1 1 18 2  32 o 29.1878 5.07876 2.11052      0.743406  1.60618      0.794372  20.2659     24.1318     21.1218     204.132     
1 1 1 18 2  33 o 54.336  3.55161 6.66728      1.01905   5.15344      0.952318  71.0644     43.1459     24.8916     43.1459     
1 1 1 18 2  34 o 18.0247 4.81295 0.77315      0.629127  0.40655      0.614554  16.787      183.611     2.05594     183.611     
1 1 1 18 2  35 o 16.9167 4.79944 0.298198     0.664459  0.570679     0.62994   12.6087     201.064     5.4205      21.0642     
1 1 1 18 2  36 o 34.9407 4.65621 3.38723      0.819829  2.02115      0.794589  36.3278     186.689     0.342903    6.68876     
1 1 1 18 2  37 o 25.729  5.24341 1.88465      0.746938  1.24625      0.757087  32.2372     339.338     14.9034     339.338     
1 1 1 18 2  38 o 27.4304 5.12157 2.16182      0.773591  1.44384      0.721288  32.5196     253.858     10.3663     253.858     
1 1 1 18 2  39 o 19.4741 5.0421  1.22803      0.713096  0.496609     0.657636  21.7203     193.364     9.59925     193.364     
1 1 1 18 2  40 o 20.8068 4.92402 0.386278     0.69712   1.63655      0.694187  18.8017     311.833     2.81584     131.833     
1 1 1 18 2  41 o 23.9469 5.24132 1.04876      0.732774  2.0048       0.762833  23.2166     213.741     0.747707    33.741      
1 1 1 18 2  42 o 14.757  4.61533 0.438333     0.720363  0.0245022    0.678741  8.02425     268.888     10.4563     88.8884     
1 1 1 18 2  43 o 13.3119 4.34949 0.313028     0.726144  -0.568374    0.716422  7.75714     316.021     0.7494      316.021     
1 1 1 18 2  44 f 16.4735 4.908   0.530726     0.68329   0.767336     0.746393  5.9874      174.604     0           0           
1 1 1 18 2  45 o 14.2266 4.51601 -0.337       0.672156  0.729264     0.75228   10.3549     49.0208     1.05819     49.0208     
1 1 1 18 2  46 o 13.463  4.40866 -0.659178    0.696245  0.661054     0.793602  8.46015     141.269     1.49888     321.269     
1 1 1 18 2  47 o 13.2665 4.37283 -0.522435    0.746791  0.48304      0.760872  6.8894      70.4544     1.39178     250.454     
1 1 1 18 2  48 o 15.7052 4.87588 0.432535     0.716941  0.871432     0.809223  10.689      12.5742     2.11686     12.5742     
1 1 1 18 2  49 o 11.1551 3.90105 -0.213243    0.845949  -1.49221     0.785768  3.73018     149.257     4.81453     329.257     
1 1 1 18 2  50 o 17.4131 5.13906 1.78306      0.852003  0.276577     0.81871   15.6032     248.502     5.49603     248.502     
1 1 1 18 2  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 3  0  o 141.29  2.52012 36.7482      1.84305   36.7482      1.84305   177.947     180         23.3634     180         
1 1 1 18 3  1  o 140.312 2.50487 36.5578      1.81566   35.9927      1.82632   202.254     228.781     79.7991     228.781     
1 1 1 18 3  2  o 135.78  2.51461 33.876       1.77669   34.0916      1.75985   143.759     41.3064     28.0471     221.306     
1 1 1 18 3  3  o 90.3555 2.68389 16.2233      1.26509   13.9726      1.23977   116.537     296.11      28.2849     296.11      
1 1 1 18 3  4  o 30.2339 4.60944 1.81611      0.709019  1.72113      0.6933    8.51481     271.396     35.2046     91.3956     
1 1 1 18 3  5  o 28.7612 4.70804 1.3539       0.695819  1.86216      0.686289  9.71552     325.415     19.8798     145.415     
1 1 1 18 3  6  o 11.5513 3.79118 -0.509558    0.537388  -0.430684    0.550457  18.7766     89.9285     44.1766     89.9285     
1 1 1 18 3  7  o 64.3704 2.9462  8.67573      0.984635  6.75428      0.961398  73.5469     123.712     6.6057      123.712     
1 1 1 18 3  8  o 16.5837 4.61947 -0.0973096   0.607375  0.562024     0.609561  11.1789     169.836     34.8979     169.836     
1 1 1 18 3  9  o 89.0186 2.71425 13.1533      1.23197   16.2357      1.25903   96.8262     136.778     8.77771     316.778     
1 1 1 18 3  10 o 55.3329 3.18294 5.75468      0.905298  5.65741      0.904771  48.751      159.46      23.4867     339.46      
1 1 1 18 3  11 o 62.7158 3.02073 6.35539      0.958815  8.33655      0.981927  45.1587     115.215     50.3506     295.215     
1 1 1 18 3  12 o 75.8046 2.80914 10.984       1.10836   10.3322      1.09125   95.8266     46.4017     21.6687     46.4017     
1 1 1 18 3  13 o 198.643 2.48563 74.661       2.57535   71.1034      2.54302   253.146     260.887     46.057      260.887     
1 1 1 18 3  14 f 44.8081 3.56572 4.50622      0.833334  3.12921      0.779201  87.1816     133.258     0           0           
1 1 1 18 3  15 o 17.2017 4.29627 1.08111      0.626141  -0.922014    0.612575  0.367981    201.159     22.1761     201.159     
1 1 1 18 3  16 o 72.0214 3.05038 9.46482      1.14008   9.89562      1.12623   98.5523     268.699     34.6797     268.699     
1 1 1 18 3  17 o 29.7219 4.73265 1.20052      0.721472  2.32282      0.724563  27.2535     241.852     4.45616     61.8524     
1 1 1 18 3  18 o 20.1072 4.91003 0.748535     0.625009  0.68172      0.618857  2.33127     267.387     32.6127     87.3874     
1 1 1 18 3  19 o 47.8083 3.86774 3.40244      0.931628  5.44122      0.885976  47.6266     263.429     10.0513     83.4292     
1 1 1 18 3  20 o 58.8536 3.56027 5.16859      1.03384   8.12836      1.08004   72.3514     198.719     14.1301     198.719     
1 1 1 18 3  21 o 16.9607 4.68418 0.787335     0.675454  -0.348119    0.628094  3.78435     277.421     14.45       97.421      
1 1 1 18 3  22 o 48.4046 3.27616 4.28665      0.811643  4.6188       0.811265  57.2707     102.399     8.91716     102.399     
1 1 1 18 3  23 o 25.8938 4.51039 0.707464     0.618917  2.01862      0.653446  26.8414     206.489     9.62828     206.489     
1 1 1 18 3  24 o 13.4637 4.13708 0.0487926    0.54562   -0.129893    0.53222   1.03896     82.862      12.5579     262.862     
1 1 1 18 3  25 o 22.473  4.21425 1.85645      0.615488  0.0223959    0.592521  21.242      65.8013     1.27832     65.8013     
1 1 1 18 3  26 o 14.39   4.23395 -0.271417    0.541177  0.406578     0.552639  0.247186    153.862     25.1224     333.863     
1 1 1 18 3  27 o 32.5875 4.58415 2.94712      0.744521  1.49287      0.747572  42.2658     120.934     17.2034     120.934     
1 1 1 18 3  28 o 19.1852 5.06371 0.674031     0.631621  0.610183     0.724261  17.8948     26.3747     5.22803     26.3747     
1 1 1 18 3  29 o 22.2985 4.93823 1.81996      0.775203  0.0240416    0.703681  17.5866     256.471     13.0346     256.471     
1 1 1 18 3  30 o 27.7179 5.22749 1.4255       0.803973  1.88202      0.741917  22.6046     166.208     13.0369     346.208     
1 1 1 18 3  31 o 25.9846 4.50802 0.39812      0.704349  2.42219      0.685282  27.7822     185.57      2.32293     185.57      
1 1 1 18 3  32 o 43.6729 4.10427 3.63025      0.946568  4.16011      0.845744  45.5853     75.0188     2.92004     255.019     
1 1 1 18 3  33 o 10.4169 3.54311 -0.903541    0.583138  -0.567302    0.547455  1.05044     224.306     1.31922     44.3056     
1 1 1 18 3  34 o 28.8184 4.65986 0.985619     0.701749  2.72779      0.732634  29.9537     341.25      0.495169    341.25      
1 1 1 18 3  35 o 13.6203 4.15992 -1.20301     0.618155  0.554271     0.626249  8.24365     246.021     0.667802    66.0212     
1 1 1 18 3  36 o 35.8988 4.71379 4.20264      0.864232  1.68027      0.807054  44.59       320.357     14.7992     320.357     
1 1 1 18 3  37 o 16.1308 4.77622 0.288419     0.665759  0.398202     0.676205  10.1855     104.759     5.24589     104.759     
1 1 1 18 3  38 f 18.718  5.10981 1.10674      0.725118  0.236621     0.762243  6.82949     165.602     0           0           
1 1 1 18 3  39 o 16.4046 4.67111 -0.157441    0.629825  0.942474     0.683227  15.6368     75.087      6.51977     75.087      
1 1 1 18 3  40 o 16.2114 4.7178  0.699755     0.654022  0.21629      0.646126  14.502      336.316     0.611823    336.316     
1 1 1 18 3  41 o 15.5536 4.299   1.20826      0.663418  -1.04704     0.610298  14.6027     99.9405     3.83028     99.9405     
1 1 1 18 3  42 o 15.4098 4.58969 0.859335     0.682989  -0.199313    0.647161  12.4466     105.41      5.06639     105.41      
1 1 1 18 3  43 o 19.8225 5.44424 0.649448     0.865553  1.57159      0.824582  17.3808     93.8884     1.37597     273.888     
1 1 1 18 3  44 o 14.0856 4.48754 0.151556     0.679278  0.270095     0.702149  2.20215     255.152     0.955071    255.152     
1 1 1 18 3  45 o 14.9697 4.6337  -0.159172    0.725566  0.834037     0.715523  9.05899     69.3954     7.78463     249.395     
1 1 1 18 3  46 o 12.7171 4.23832 -0.0743162   0.733861  -0.101268    0.7149    5.08623     144.386     0.445494    144.386     
1 1 1 18 3  47 o 21.339  5.28522 2.14632      0.791315  0.848161     0.792783  22.0677     263.893     8.1854      263.893     
1 1 1 18 3  48 o 11.5046 3.89098 -0.609294    0.67278   -0.0410401   0.654134  3.29768     342.252     2.27767     162.252     
1 1 1 18 3  49 o 13.8702 4.59844 1.20158      0.92941   -1.33717     0.808429  2.14615     341.124     0.693268    341.124     
1 1 1 18 3  50 o 12.9145 4.27852 -0.288713    0.71997   0.444195     0.736267  1.92469     218.834     0.575224    218.834     
1 1 1 18 3  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 4  0  o 41.9501 3.61979 3.38322      0.755869  3.38322      0.755869  17.7279     8.20544e-06 10.7486     8.20544e-06 
1 1 1 18 4  1  o 19.8832 4.89581 0.61175      0.611247  0.71914      0.627129  7.66234     141.79      34.4738     141.79      
1 1 1 18 4  2  o 71.5451 2.81545 9.48414      1.03264   9.46343      1.04733   78.5177     87.4363     2.44914     267.436     
1 1 1 18 4  3  f 38.6492 3.8508  2.88927      0.748042  2.7619       0.751722  58.8166     39.6463     0           0           
1 1 1 18 4  4  o 71.8304 2.81934 9.76248      1.03401   9.34263      1.05621   101.012     297.132     46.3493     297.132     
1 1 1 18 4  5  o 95.4816 2.65408 16.2614      1.30436   17.4297      1.31693   96.9837     215.51      24.3384     35.5102     
1 1 1 18 4  6  o 35.9344 4.09647 2.73776      0.741669  2.1989       0.727872  12.5224     230.133     46.4497     50.1333     
1 1 1 18 4  7  o 130.716 2.52354 31.7079      1.70423   31.35        1.71226   182.289     168.109     63.9091     168.109     
1 1 1 18 4  8  f 93.1418 2.68975 16.5031      1.30272   15.5834      1.28863   116.926     354.052     0           0           
1 1 1 18 4  9  o 179.392 2.47593 60.9426      2.30649   57.7883      2.29724   223.661     79.5473     31.0851     79.5473     
1 1 1 18 4  10 o 15.9669 4.43256 -0.619257    0.608152  0.700782     0.617079  7.72956     199.779     27.097      199.779     
1 1 1 18 4  11 o 175.002 2.48163 56.9329      2.25558   56.1232      2.24675   237.675     69.6831     70.3975     69.6831     
1 1 1 18 4  12 o 66.4333 2.9266  8.04905      0.991727  8.36141      1.01391   95.6826     89.361      45.9639     89.361      
1 1 1 18 4  13 f 10.8674 3.63927 -0.697337    0.549035  -0.580236    0.544126  17.7352     339.347     0           0           
1 1 1 18 4  14 o 33.8835 4.45704 2.36343      0.761988  2.09522      0.74574   15.3548     33.3424     41.3615     213.342     
1 1 1 18 4  15 o 45.5189 3.62005 4.31753      0.850684  3.54111      0.823056  36.1425     233.191     28.577      53.1905     
1 1 1 18 4  16 o 78.0207 2.99364 11.8721      1.22449   10.8498      1.18736   104.772     228.286     33.0241     228.286     
1 1 1 18 4  17 o 104.501 2.78594 20.5074      1.51404   20.136       1.4988    125.683     214.941     12.7684     214.941     
1 1 1 18 4  18 o 41.4331 3.74961 3.28689      0.797837  3.27345      0.775757  54.3119     201.809     21.6908     201.809     
1 1 1 18 4  19 o 52.8796 3.38599 6.09812      0.919028  4.53551      0.901715  63.0266     259.213     9.50029     259.213     
1 1 1 18 4  20 f 62.4612 3.33196 7.42617      1.04472   7.31444      1.09573   66.3208     145.727     0           0           
1 1 1 18 4  21 o 84.9501 2.9574  12.3605      1.28987   14.7844      1.2991    108.588     287.972     26.1208     287.972     
1 1 1 18 4  22 o 37.0614 3.89728 2.7477       0.731479  2.59559      0.720238  39.9283     204.484     1.40726     204.484     
1 1 1 18 4  23 o 21.4441 4.67295 0.348159     0.614511  1.3716       0.622442  9.95557     41.6807     21.5332     221.681     
1 1 1 18 4  24 o 35.6284 4.0324  2.85622      0.728413  2.17318      0.704107  34.9913     71.2152     6.1714      251.215     
1 1 1 18 4  25 o 31.076  4.40429 2.52333      0.707705  1.43755      0.663721  36.3479     155.933     8.66372     155.933     
1 1 1 18 4  26 o 38.4547 4.16704 2.72027      0.787641  3.19316      0.818854  39.1038     149.929     4.92007     329.929     
1 1 1 18 4  27 o 49.1332 3.54346 4.78957      0.888049  4.62886      0.891308  58.7567     239.34      10.0147     239.34      
1 1 1 18 4  28 o 39.5551 4.44665 4.08134      0.854424  2.3761       0.859985  35.1859     211.332     15.5626     31.3321     
1 1 1 18 4  29 o 63.6719 3.99816 7.37549      1.21489   8.75312      1.39892   71.163      250.873     2.23976     250.873     
1 1 1 18 4  30 o 19.7832 5.39122 1.00874      0.855302  0.322798     0.730318  20.545      84.0398     8.56357     84.0398     
1 1 1 18 4  31 o 34.1471 4.82545 1.62123      0.841096  3.44353      0.806349  40.7873     248.781     9.72668     248.781     
1 1 1 18 4  32 o 39.2582 4.25247 4.05759      0.805894  2.40183      0.81796   49.892      183.417     16.5165     183.417     
1 1 1 18 4  33 o 42.9666 3.71321 3.88315      0.81317   3.5858       0.805475  57.1095     119.213     22.9324     119.213     
1 1 1 18 4  34 f 16.5933 4.48266 -0.225251    0.598019  0.899833     0.602721  4.13887     253.472     0           0           
1 1 1 18 4  35 o 14.4552 4.13305 -1.12603     0.594687  0.787766     0.595069  8.20547     340.615     2.37607     340.615     
1 1 1 18 4  36 o 22.116  5.116   1.16599      0.675668  1.06678      0.676277  25.9851     172.832     11.7689     172.832     
1 1 1 18 4  37 o 15.4119 4.58023 0.425653     0.633031  0.138832     0.614364  12.5643     112.132     3.93713     112.132     
1 1 1 18 4  38 o 12.6897 4.10591 -0.0392986   0.618596  -0.325854    0.598121  7.34444     202.363     5.69452     22.3629     
1 1 1 18 4  39 o 13.6851 4.3834  -0.0339615   0.680104  -0.0595014   0.658649  8.17471     43.4145     7.46498     223.415     
1 1 1 18 4  40 o 12.3845 3.98214 -1.19097     0.613572  0.388801     0.617744  0.386709    199.699     22.3348     19.6993     
1 1 1 18 4  41 o 14.1268 4.45586 0.267628     0.681914  -0.0127368   0.646021  7.46476     242.446     10.4041     62.4459     
1 1 1 18 4  42 o 20.6438 5.27128 1.62378      0.772294  0.729029     0.734796  20.388      280.928     2.7339      280.928     
1 1 1 18 4  43 o 14.1373 4.60762 -0.0847959   0.812907  0.185601     0.761371  8.95421     205.09      1.77142     205.09      
1 1 1 18 4  44 o 16.1652 4.78064 1.08243      0.712736  -0.108335    0.750513  13.7257     146.826     5.15759     146.826     
1 1 1 18 4  45 o 20.7276 5.21063 0.230765     0.790706  2.3304       0.860509  16.1873     340.535     6.56035     160.535     
1 1 1 18 4  46 o 17.5631 5.1006  1.1819       0.753089  0.689685     0.759461  15.7045     116.668     5.15283     116.668     
1 1 1 18 4  47 o 12.259  4.0837  -0.0347159   0.672821  -0.157995    0.669965  4.51743     304.915     2.17089     124.915     
1 1 1 18 4  48 o 11.1763 3.8294  -0.482931    0.700535  -0.420925    0.672729  3.32239     55.7004     6.67505     235.7       
1 1 1 18 4  49 o 13.8691 4.64295 0.800166     0.924527  -0.594882    0.882257  6.56394     177.848     9.06129     357.848     
1 1 1 18 4  50 o 14.6104 4.64128 0.470846     0.741164  0.588685     0.726402  8.15812     69.6639     3.43831     69.6639     
1 1 1 18 4  51 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 5  0  o 85.8237 2.69318 13.6231      1.19274   13.6231      1.19274   104.547     5.44415e-07 7.9364      5.44414e-07 
1 1 1 18 5  1  f 35.5925 4.08629 2.09707      0.725334  2.75339      0.721398  70.4197     344.036     0           0           
1 1 1 18 5  2  o 23.72   4.77975 1.12625      0.617627  1.03287      0.615293  0.17929     110.733     23.4533     290.733     
1 1 1 18 5  3  o 67.7771 2.88869 9.02163      1.01118   8.02223      1.00661   91.9376     105.347     37.9137     105.347     
1 1 1 18 5  4  f 115.687 2.53906 24.2275      1.52563   25.1796      1.51524   109.297     307.075     0           0           
1 1 1 18 5  5  o 21.785  4.02911 1.90729      0.643199  -0.568537    0.609552  12.6785     134.796     59.9585     134.796     
1 1 1 18 5  6  o 15.8273 4.29047 -0.603271    0.563081  0.746119     0.587091  15.4714     353.418     46.5348     353.418     
1 1 1 18 5  7  o 97.0102 2.64249 17.3934      1.33082   17.4008      1.3218    133.754     134.703     47.6419     134.703     
1 1 1 18 5  8  o 83.6037 2.71888 12.2194      1.17092   13.677       1.17672   67.726      292.502     55.2002     112.502     
1 1 1 18 5  9  o 105.819 2.62584 21.1936      1.4388    20.223       1.43683   118.674     88.6816     5.22071     268.682     
1 1 1 18 5  10 o 15.927  4.48538 0.545002     0.591266  -0.222642    0.585895  9.87681     274.979     36.4859     274.979     
1 1 1 18 5  11 o 105.053 2.63572 22.3946      1.45344   18.5496      1.40685   119.599     218.062     1.53547     38.0614     
1 1 1 18 5  12 o 86.794  2.90551 13.5775      1.301     14.412       1.30519   98.5103     129.734     0.609909    309.735     
1 1 1 18 5  13 f 33.4851 4.48992 1.89593      0.759337  2.47545      0.737684  46.7217     211.313     0           0           
1 1 1 18 5  14 o 29.5114 4.85819 2.14687      0.76357   1.31431      0.708784  4.11447     148.128     54.7962     328.128     
1 1 1 18 5  15 f 40.4863 4.16682 3.11294      0.852762  3.18584      0.844638  31.1152     244.253     0           0           
1 1 1 18 5  16 o 54.464  3.39901 4.59904      0.937035  6.67225      0.93195   66.5273     237.962     12.4802     237.962     
1 1 1 18 5  17 o 56.6601 3.21816 6.03771      0.939077  6.0365       0.935398  52.2478     40.115      22.34       220.115     
1 1 1 18 5  18 o 48.5785 3.52007 4.51698      0.875487  4.44136      0.872219  60.7338     22.8837     15.7698     22.8837     
1 1 1 18 5  19 o 51.0971 3.30623 5.23595      0.896719  4.65349      0.835539  57.4136     166.362     2.4027      166.362     
1 1 1 18 5  20 o 23.9125 4.49813 0.332927     0.661894  1.83195      0.621777  1.66043     309.09      45.6532     129.091     
1 1 1 18 5  21 o 19.9078 5.05434 1.02689      0.732708  0.309862     0.631629  0.777017    12.7905     36.751      192.791     
1 1 1 18 5  22 o 23.5795 5.06747 1.29813      0.674917  0.916182     0.687032  17.99       112.686     8.17372     292.686     
1 1 1 18 5  23 f 75.4451 2.90927 11.4845      1.11795   10.034       1.14263   67.569      211.663     0           0           
1 1 1 18 5  24 o 15.2186 4.44112 -0.171902    0.575344  0.440413     0.598607  1.09733     319.353     24.4969     139.353     
1 1 1 18 5  25 o 63.1765 3.1195  7.19453      0.982327  8.06935      1.04817   76.9796     205.95      14.0526     205.95      
1 1 1 18 5  26 o 27.2125 4.93204 1.34881      0.696636  1.75756      0.707781  11.5725     268.778     34.6976     88.7776     
1 1 1 18 5  27 o 15.0803 4.21989 -0.912046    0.572568  0.789312     0.609168  9.39392     346.168     1.41071     166.168     
1 1 1 18 5  28 o 19.7125 4.99618 0.714565     0.667343  0.748137     0.629688  19.0541     341.735     1.58745     341.735     
1 1 1 18 5  29 o 43.9909 4.20979 4.08979      0.98931   3.73092      0.881411  57.4366     197.98      20.0423     197.98      
1 1 1 18 5  30 o 28.1129 5.11327 2.48249      0.799904  0.961534     0.79651   32.1837     287.235     6.72701     287.235     
1 1 1 18 5  31 o 17.4096 4.90531 0.472363     0.665571  0.433147     0.665054  9.33095     170.062     14.9905     350.062     
1 1 1 18 5  32 o 40.6159 3.90304 3.89694      0.838231  2.86345      0.757009  46.6134     41.7353     6.57698     41.7353     
1 1 1 18 5  33 o 12.0713 3.86884 0.193855     0.579776  -0.943624    0.529901  0.327364    79.7973     20.7972     259.797     
1 1 1 18 5  34 o 37.8942 4.14696 2.46183      0.780489  3.59413      0.768048  43.2171     309.553     6.67671     309.553     
1 1 1 18 5  35 o 32.528  4.66006 2.73829      0.780741  1.93345      0.738349  30.3043     102.297     7.16782     282.297     
1 1 1 18 5  36 o 23.5889 5.11465 1.32028      0.697708  1.27439      0.67177   16.6989     245.698     14.2423     65.698      
1 1 1 18 5  37 o 46.1589 3.82263 5.10718      0.891806  3.89227      0.884245  48.4885     122.067     0.355351    302.068     
1 1 1 18 5  38 o 39.5364 4.17084 3.84483      0.849642  3.03085      0.802277  40.0435     284.761     2.44231     104.761     
1 1 1 18 5  39 o 17.0487 4.51641 1.33094      0.688147  -0.603844    0.630024  16.8987     336.377     3.97645     336.377     
1 1 1 18 5  40 o 16.987  4.92841 0.341435     0.688582  0.826079     0.717304  16.3129     257.738     9.06703     257.738     
1 1 1 18 5  41 o 22.7658 5.03991 1.99814      0.734785  0.747529     0.697591  24.934      151.151     6.65364     151.151     
1 1 1 18 5  42 o 18.0683 5.13507 1.1482       0.771464  0.518655     0.724863  13.8404     276.779     5.23413     96.7786     
1 1 1 18 5  43 o 15.1714 4.82691 0.396788     0.816755  0.25185      0.774733  3.14548     86.2551     21.7081     266.255     
1 1 1 18 5  44 o 15.3587 4.75876 0.87897      0.761418  -0.0950484   0.744122  7.36926     266.75      12.7951     86.75       
1 1 1 18 5  45 o 17.7447 5.17742 0.863797     0.781965  1.04111      0.765765  16.3175     34.396      3.57256     34.396      
1 1 1 18 5  46 o 15.1856 4.65738 0.864906     0.703613  0.109964     0.695834  7.76625     174.432     3.03798     174.432     
1 1 1 18 5  47 o 15.588  4.73026 1.22434      0.766853  -0.162753    0.697983  8.73497     272.212     8.10291     92.2122     
1 1 1 18 5  48 o 12.043  4.10186 -0.107955    0.76245   -0.495975    0.758659  4.36448     43.1179     1.52486     223.118     
1 1 1 18 5  49 o 18.204  5.74121 1.36274      0.999459  1.76179      1.20462   15.6396     233.378     2.15428     233.378     
1 1 1 18 5  50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 6  0  o 10.2242 4.64295 0.02048      0.560525  0.02048      0.560525  18.9414     180         43.582      180         
1 1 1 18 6  1  o 71.3338 2.81275 9.28746      1.03489   9.56966      1.03682   81.5974     71.1944     4.45469     71.1944     
1 1 1 18 6  2  o 64.6184 2.90127 7.68992      0.966106  7.80573      0.967416  39.1105     14.6687     67.0606     194.669     
1 1 1 18 6  3  f 52.4017 3.21267 5.93726      0.871964  4.36785      0.843074  46.6194     6.03849     0           0           
1 1 1 18 6  4  o 81.0548 2.74296 12.4374      1.16175   11.8899      1.13649   107.454     272.185     33.51       272.185     
1 1 1 18 6  5  o 64.3049 2.98233 6.09748      0.949427  9.44872      1.00058   56.2762     344.299     31.0442     164.299     
1 1 1 18 6  6  o 132.776 2.52439 32.1314      1.7349    32.9879      1.7366    140.92      221.76      24.5654     41.7603     
1 1 1 18 6  7  o 46.3475 3.43036 4.03178      0.827585  4.03027      0.795907  28.0932     225.17      44.5851     45.1699     
1 1 1 18 6  8  o 47.926  3.27718 4.13554      0.801908  4.47005      0.805113  36.5687     21.8922     31.181      201.892     
1 1 1 18 6  9  o 25.1529 4.81776 1.38533      0.652046  1.08052      0.640177  1.05088     145.6       50.1092     145.601     
1 1 1 18 6  10 o 30.6713 4.51575 2.79326      0.732167  0.995451     0.686296  24.806      264.517     8.02031     264.517     
1 1 1 18 6  11 o 54.1794 3.41192 5.81012      0.981566  5.21336      0.91517   65.068      42.245      11.3634     42.245      
1 1 1 18 6  12 o 59.3229 3.5827  5.96066      1.11009   7.30668      1.05476   75.5519     205.69      19.4571     205.69      
1 1 1 18 6  13 o 55.5132 3.55722 5.78174      1.05135   5.82884      0.97133   74.2405     257.309     25.9317     257.309     
1 1 1 18 6  14 o 18.3533 4.95106 0.407003     0.654776  0.528089     0.655662  1.13742     330.88      28.7708     150.88      
1 1 1 18 6  15 o 59.8672 3.42916 8.0496       1.06463   5.56029      1.02244   63.7633     254.322     6.57135     74.3218     
1 1 1 18 6  16 f 17.6969 4.4656  0.970366     0.591307  -0.316833    0.610746  11.6353     14.4296     0           0           
1 1 1 18 6  17 o 45.1558 3.51392 3.24348      0.788366  4.56247      0.811     58.6214     227.079     20.545      227.079     
1 1 1 18 6  18 o 19.485  4.84994 0.740681     0.601748  0.57826      0.618833  7.46403     113.992     2.43361     293.992     
1 1 1 18 6  19 o 66.2815 3.02086 8.46278      1.00122   8.06394      1.06042   83.0126     221.518     18.4471     221.518     
1 1 1 18 6  20 o 58.1861 3.13382 6.69035      0.986757  6.11515      0.889801  67.8965     260.803     6.98338     260.803     
1 1 1 18 6  21 o 12.7988 4.05096 -0.643383    0.565321  0.0680327    0.578068  2.50735     332.113     20.2007     332.113     
1 1 1 18 6  22 o 40.5149 3.96268 2.84672      0.815298  3.58875      0.789586  46.581      282.725     6.22708     282.725     
1 1 1 18 6  23 o 11.1648 3.66264 -0.224767    0.508808  -0.626401    0.516717  0.91676     271.228     10.5687     271.228     
1 1 1 18 6  24 o 46.2905 3.48989 3.79289      0.825034  4.51853      0.816477  49.4959     293.566     2.35977     113.566     
1 1 1 18 6  25 o 101.229 2.86791 20.3697      1.51148   18.5516      1.49048   124.421     100.086     23.0242     100.086     
1 1 1 18 6  26 o 18.2617 4.70996 0.985875     0.638021  0.0403337    0.610213  5.25911     208.402     25.8439     28.4021     
1 1 1 18 6  27 o 9.98325 3.37535 -1.09855     0.498942  -0.320216    0.506959  0.864702    347.795     6.65189     167.795     
1 1 1 18 6  28 o 30.8815 4.64687 2.47096      0.756834  1.54519      0.692402  24.3745     340.568     17.2024     160.568     
1 1 1 18 6  29 o 27.1527 4.97067 2.08102      0.753417  1.1081       0.690968  34.7205     146.139     15.2841     146.139     
1 1 1 18 6  30 o 11.6489 3.85946 -0.693107    0.61528   -0.315081    0.567033  2.0564      151.493     0.840481    331.493     
1 1 1 18 6  31 f 23.2659 4.98663 0.8953       0.666468  1.45044      0.666818  20.9086     40.6804     0           0           
1 1 1 18 6  32 o 24.8567 5.15206 0.998211     0.721289  1.75344      0.731107  24.572      19.969      0.83054     199.969     
1 1 1 18 6  33 o 31.7702 4.89342 2.31743      0.788987  2.12773      0.77735   29.2362     344.798     7.87956     164.798     
1 1 1 18 6  34 o 57.5468 3.29343 6.57239      0.986582  6.63999      0.961043  72.7884     36.7027     22.6048     36.7027     
1 1 1 18 6  35 o 25.3937 4.78163 0.776334     0.692685  2.14559      0.694092  32.9782     20.2921     17.7398     20.2921     
1 1 1 18 6  36 o 19.8969 4.91742 1.20688      0.663658  0.532513     0.626116  10.982      153.516     17.4999     333.516     
1 1 1 18 6  37 o 34.0766 4.52482 3.02075      0.789726  2.21878      0.747865  32.1424     12.0403     6.43167     192.04      
1 1 1 18 6  38 o 13.5694 4.13306 -0.996807    0.623599  0.603999     0.596612  9.08274     55.947      2.93333     55.947      
1 1 1 18 6  39 o 21.0426 4.97797 0.595142     0.669229  1.58665      0.693074  24.2991     280.122     9.71395     280.122     
1 1 1 18 6  40 o 17.4359 4.95222 0.346936     0.695683  0.966786     0.70712   17.7856     318         7.69848     318         
1 1 1 18 6  41 o 14.8523 4.53834 -0.65479     0.700423  0.854889     0.71256   6.05546     184.249     15.1091     4.24881     
1 1 1 18 6  42 o 29.4917 5.39639 2.23991      0.83587   2.60552      0.832139  38.3373     248.873     20.5655     248.873     
1 1 1 18 6  43 o 13.4315 4.38271 0.557137     0.774183  -0.723108    0.685622  6.33216     73.6562     9.80798     253.656     
1 1 1 18 6  44 o 17.1041 5.07644 0.301594     0.750595  1.24917      0.8158    6.33863     220.102     19.2559     40.1021     
1 1 1 18 6  45 f 15.4913 4.76207 0.87022      0.714386  0.14882      0.766033  12.5868     23.8266     0           0           
1 1 1 18 6  46 o 14.114  4.49209 -0.891612    0.750596  0.979039     0.76708   6.73053     110.627     1.16112     110.627     
1 1 1 18 6  47 o 14.9689 4.58286 1.04893      0.710252  -0.322612    0.723912  9.87194     82.0181     0.439355    82.0181     
1 1 1 18 6  48 o 16.1114 4.97167 0.145011     0.823384  1.28988      0.822945  8.73151     343.402     4.16979     343.402     
1 1 1 18 6  49 o 17.0408 4.97879 -0.381592    0.860201  1.88202      0.83754   13.9944     237.495     6.98496     237.495     
1 1 1 18 6  50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 7  0  o 86.812  2.64547 13.942       1.18541   13.942       1.18541   110.663     180         19.1094     180         
1 1 1 18 7  1  o 48.6798 3.2614  4.70358      0.812147  4.16939      0.811508  27.6856     26.0002     51.3196     206         
1 1 1 18 7  2  o 32.4852 4.21729 1.64983      0.685402  2.44407      0.672953  15.1597     295.428     33.6071     115.428     
1 1 1 18 7  3  o 41.3043 3.57802 3.42365      0.747192  3.01774      0.749774  46.3375     106.72      13.9596     106.72      
1 1 1 18 7  4  o 22.9932 4.86733 1.02174      0.641302  0.995958     0.609356  5.21272     32.8877     15.1359     212.888     
1 1 1 18 7  5  o 41.5328 3.64856 3.19624      0.78319   3.32115      0.752572  43.3941     149.817     2.60018     149.817     
1 1 1 18 7  6  o 127.577 2.5949  28.1714      1.7437    32.0935      1.6737    163.961     150.016     34.8394     150.016     
1 1 1 18 7  7  o 76.7931 2.92875 11.6825      1.20847   10.2546      1.11505   67.2063     57.0543     40.0159     237.054     
1 1 1 18 7  8  o 79.5374 3.0184  11.9302      1.27937   11.6049      1.20001   62.0739     276.925     57.1198     96.9246     
1 1 1 18 7  9  o 61.735  3.33577 6.48913      1.05326   7.80649      1.05828   68.7295     21.1351     0.432882    201.135     
1 1 1 18 7  10 o 27.8999 4.96969 1.90104      0.727791  1.17166      0.729922  17.1524     4.67145     20.6518     184.671     
1 1 1 18 7  11 o 94.9579 3.13787 14.8482      1.4533    18.9042      1.62626   129.784     178.203     43.2593     178.203     
1 1 1 18 7  12 f 51.0599 3.82019 4.11049      0.941977  5.85355      1.03774   51.0428     334.995     0           0           
1 1 1 18 7  13 o 78.4205 2.93254 12.1816      1.19453   10.7823      1.17855   75.4356     197.014     27.2375     17.0135     
1 1 1 18 7  14 o 21.5542 4.78915 1.04524      0.619906  0.722337     0.580061  6.29599     39.129      27.8975     219.129     
1 1 1 18 7  15 o 18.1633 4.72793 0.368714     0.604342  0.645882     0.579053  16.8907     181.181     69.9771     181.181     
1 1 1 18 7  16 o 70.7673 2.84274 9.53363      1.05269   9.19757      1.02439   77.617      197.122     3.82804     17.1219     
1 1 1 18 7  17 o 45.675  3.31353 3.70494      0.771536  4.21635      0.77219   44.6112     289.655     10.6755     109.655     
1 1 1 18 7  18 o 26.6335 4.52855 1.0712       0.626104  1.774        0.626079  24.6333     160.876     0.046476    160.876     
1 1 1 18 7  19 o 25.0898 4.66172 1.20071      0.614563  1.32739      0.614477  20.7617     33.1886     5.63309     213.189     
1 1 1 18 7  20 o 27.8102 4.44168 2.08407      0.650966  1.06135      0.620761  27.3305     4.48819     0.00176016  4.49037     
1 1 1 18 7  21 o 48.0937 3.45919 4.64396      0.872668  4.24116      0.828186  60.6836     338.892     16.7952     338.892     
1 1 1 18 7  22 o 16.436  4.43427 -0.286612    0.591557  0.776057     0.579963  7.61997     306.395     9.72405     126.394     
1 1 1 18 7  23 o 19.7408 4.71475 1.00538      0.601924  0.454842     0.574462  15.4659     358.945     4.24414     178.945     
1 1 1 18 7  24 o 38.6061 3.91325 2.75126      0.755215  3.15441      0.763475  46.5041     181.859     10.2751     181.859     
1 1 1 18 7  25 f 13.2442 4.21992 -0.154161    0.572861  -0.273092    0.650422  18.0791     178.928     0           0           
1 1 1 18 7  26 o 51.7229 3.66976 4.80465      0.962734  5.70566      0.972242  61.242      276.142     9.33554     276.142     
1 1 1 18 7  27 o 18.2883 4.52479 1.11388      0.616834  -0.0721013   0.57401   14.1747     142.764     6.82062     322.764     
1 1 1 18 7  28 o 63.7707 3.01512 7.62185      0.990879  8.03425      0.99041   77.0669     2.70573     14.4894     2.70573     
1 1 1 18 7  29 o 20.6941 4.97853 0.663428     0.611063  1.08758      0.677305  18.687      167.151     2.92322     347.151     
1 1 1 18 7  30 o 13.5863 4.3014  0.00312869   0.651154  -0.265385    0.59769   5.18981     295.33      0.690503    295.33      
1 1 1 18 7  31 o 16.6201 4.64013 0.513959     0.607519  0.341894     0.574663  13.6982     184.437     1.15931     4.43669     
1 1 1 18 7  32 o 48.797  3.47854 5.10766      0.882423  4.43489      0.851402  52.4435     92.093      0.30851     92.093      
1 1 1 18 7  33 o 38.7897 4.31739 3.17183      0.812764  3.19997      0.86511   45.7963     60.7628     10.1435     60.7628     
1 1 1 18 7  34 o 29.8658 5.06271 1.84143      0.771959  2.21674      0.778683  34.4029     140.646     8.18353     140.646     
1 1 1 18 7  35 o 17.5833 4.78018 0.33855      0.629107  0.805629     0.624059  15.2632     334.915     8.38856     334.915     
1 1 1 18 7  36 o 11.3919 3.76677 -0.0698583   0.579042  -0.771346    0.544798  4.74518     129.03      1.069       309.03      
1 1 1 18 7  37 o 13.8665 4.30699 -0.278587    0.620314  0.340514     0.607497  9.72108     257.255     3.59295     77.2552     
1 1 1 18 7  38 f 30.4098 4.92327 2.42255      0.761279  2.04386      0.759888  23.393      110.904     0           0           
1 1 1 18 7  39 o 22.3011 5.1587  0.919264     0.734628  1.6568       0.70078   21.4526     258.647     0.494661    78.6467     
1 1 1 18 7  40 o 11.719  3.90192 -0.741083    0.633408  -0.0457218   0.614621  6.03613     215.05      5.3486      35.05       
1 1 1 18 7  41 o 14.7086 4.47898 -0.693376    0.694089  0.869559     0.692084  5.84697     12.6301     14.931      192.63      
1 1 1 18 7  42 o 16.9673 5.19887 0.335335     0.767517  1.04468      0.920731  12.526      148.56      6.47866     148.56      
1 1 1 18 7  43 f 11.2147 3.87092 -0.589853    0.800525  -0.739738    0.65137   11.3173     99.3877     0           0           
1 1 1 18 7  44 o 15.9002 4.70288 1.08904      0.698187  -0.0388829   0.702403  12.9977     294.787     0.284803    294.787     
1 1 1 18 7  45 o 14.1845 4.51692 0.173373     0.726132  0.432646     0.681531  7.75109     107.997     7.0905      287.997     
1 1 1 18 7  46 o 15.7403 4.82792 0.740075     0.745589  0.568505     0.713031  10.0258     190.918     4.62071     10.9175     
1 1 1 18 7  47 o 11.5681 3.89636 0.240044     0.674179  -0.911952    0.63832   3.55181     289.04      1.91106     109.04      
1 1 1 18 7  48 o 14.5249 4.68912 0.446851     0.766415  0.506045     0.803603  9.86551     166.092     0.217134    346.092     
1 1 1 18 7  49 o 11.3592 3.9399  0.285414     0.822675  -1.52427     0.696038  1.60062     4.14736     0.0233907   4.14737     
1 1 1 18 8  0  o 12.8201 5.3246  0.360944     0.597665  0.360944     0.597665  8.84688     360         27.0539     360         
1 1 1 18 8  1  o 15.8217 4.52181 0.466788     0.609169  -0.138663    0.576442  11.7541     297.559     44.8088     297.559     
1 1 1 18 8  2  o 67.024  3.33874 7.43209      1.1121    9.40757      1.18806   80.8035     217.069     12.1237     217.069     
1 1 1 18 8  3  o 19.7816 4.47222 1.3208       0.631322  -0.18786     0.596525  0.527504    252.067     30.4193     252.067     
1 1 1 18 8  4  o 72.2041 3.3413  9.29097      1.1944    10.1932      1.29361   105.805     236.45      51.3716     236.45      
1 1 1 18 8  5  o 43.0161 3.98542 3.44395      0.830867  3.59656      0.903334  33.8797     323.442     25.4802     143.442     
1 1 1 18 8  6  f 61.0825 3.36343 7.23868      1.04692   6.74056      1.06425   77.1395     279.45      0           0           
1 1 1 18 8  7  o 86.8194 3.05121 15.0566      1.37738   13.0515      1.35624   108.594     191.838     19.9132     191.838     
1 1 1 18 8  8  o 25.6467 4.98969 1.2773       0.688582  1.30539      0.6797    1.17211     264.987     50.7502     84.9868     
1 1 1 18 8  9  o 43.9071 3.78897 3.70625      0.8473    3.62149      0.841683  35.8473     246.553     25.0519     66.5528     
1 1 1 18 8  10 o 31.2694 4.67211 2.34984      0.751393  1.52399      0.720385  34.9744     339.872     19.0371     339.872     
1 1 1 18 8  11 o 40.4723 3.62702 3.04962      0.738383  3.18447      0.749225  30.8955     16.3823     26.6468     196.382     
1 1 1 18 8  12 o 41.484  3.58103 3.64395      0.764728  2.92085      0.737717  56.7042     269.064     27.5255     269.064     
1 1 1 18 8  13 o 47.1112 3.32644 4.32107      0.810917  4.0693       0.791927  47.8394     235.717     7.75025     55.717      
1 1 1 18 8  14 o 20.755  4.72743 0.54916      0.595761  1.04415      0.588432  8.1238      208.328     20.473      28.3282     
1 1 1 18 8  15 o 42.1671 3.49251 2.94412      0.74232   3.86205      0.741489  58.6561     144.29      29.9952     144.29      
1 1 1 18 8  16 o 79.9212 2.76505 12.0659      1.14571   11.8237      1.13831   106.638     296.787     34.2106     296.787     
1 1 1 18 8  17 o 31.7548 4.2955  2.871        0.696242  1.23674      0.659397  15.5        55.499      36.5456     235.499     
1 1 1 18 8  18 o 13.8608 3.81974 0.701581     0.53035   -1.09945     0.479554  0.0671103   340.566     14.6829     160.566     
1 1 1 18 8  19 o 22.4726 3.48197 2.31222      0.602921  -0.73654     0.542802  19.7286     258.51      0.735185    258.51      
1 1 1 18 8  20 o 48.2226 3.30864 3.82972      0.803348  5.11298      0.815856  44.6113     79.0888     16.8402     259.089     
1 1 1 18 8  21 o 14.7164 4.43657 0.0456323    0.602432  0.0876873    0.589638  3.68337     132.933     14.3423     312.933     
1 1 1 18 8  22 o 25.3013 4.8097  0.874417     0.674736  1.75718      0.662339  26.0956     348.312     2.56689     348.312     
1 1 1 18 8  23 o 20.5333 4.87514 0.794535     0.586853  0.860012     0.637728  1.71756     239.401     38.8062     59.4005     
1 1 1 18 8  24 o 26.2611 4.98777 1.08222      0.720198  1.8172       0.699285  23.9136     305.621     6.1491      125.621     
1 1 1 18 8  25 o 68.1485 3.31104 8.49956      1.17006   9.45664      1.15069   64.3149     340.951     21.911      160.951     
1 1 1 18 8  26 o 23.3283 4.40351 1.91087      0.644613  0.308332     0.589614  22.5048     347.777     2.40909     167.777     
1 1 1 18 8  27 o 18.9266 4.4984  -0.0331124   0.598883  1.20076      0.596875  16.0985     359.991     9.84831     359.991     
1 1 1 18 8  28 o 29.0313 4.60914 1.92733      0.68675   1.63349      0.66769   37.6983     8.91375     16.4825     8.91375     
1 1 1 18 8  29 o 13.1762 4.12926 -0.455868    0.538091  0.198197     0.60622   4.28886     336.573     0.340884    336.573     
1 1 1 18 8  30 o 35.9331 4.52216 2.85028      0.837075  2.60931      0.786093  41.7195     223.212     7.82425     223.212     
1 1 1 18 8  31 o 15.5872 4.52084 0.358277     0.613743  0.241883     0.553202  5.10623     189.131     19.4551     9.13119     
1 1 1 18 8  32 o 12.5723 3.80798 0.572157     0.569402  -1.50841     0.505685  5.22784     226.315     9.79202     46.3152     
1 1 1 18 8  33 o 26.7894 4.95622 1.52494      0.714283  1.72028      0.681296  15.5558     254.14      24.2363     74.1399     
1 1 1 18 8  34 o 13.1824 4.1964  -0.224878    0.59329   0.00620948   0.614742  7.7695      265.111     4.55706     85.1109     
1 1 1 18 8  35 o 34.8077 4.85293 3.31173      0.855624  2.24416      0.831352  33.2567     315.538     5.76607     135.538     
1 1 1 18 8  36 o 26.8619 5.05765 2.23477      0.774291  1.27402      0.688971  28.865      321.148     3.94863     321.148     
1 1 1 18 8  37 o 18.3634 4.84564 1.10374      0.658639  0.346388     0.635889  19.0839     216.458     5.6325      216.458     
1 1 1 18 8  38 o 13.2322 4.19132 0.300393     0.598195  -0.422788    0.633863  5.63396     272.509     12.6483     92.5088     
1 1 1 18 8  39 o 16.6419 4.8324  1.23069      0.785505  -0.471908    0.708584  13.9174     11.4373     1.86802     191.437     
1 1 1 18 8  40 o 15.771  4.7533  0.687886     0.726394  0.224876     0.647375  13.5067     141.335     3.49112     141.335     
1 1 1 18 8  41 o 22.9781 5.55285 1.41025      0.843172  1.7586       0.773114  25.7087     102.066     18.1434     102.066     
1 1 1 18 8  42 o 15.0063 4.62813 -0.675117    0.714514  1.0469       0.773099  9.5834      289.513     6.37574     109.513     
1 1 1 18 8  43 o 11.985  4.04884 -0.539795    0.680223  -0.127091    0.729779  5.55576     118.552     0.342475    298.552     
1 1 1 18 8  44 o 20.5665 4.31309 -0.719806    0.708577  2.50916      0.73913   22.5883     188.99      9.67836     188.99      
1 1 1 18 8  45 o 11.575  3.88694 -0.650164    0.625819  0.0908552    0.649984  3.61999     113.528     7.95141     293.528     
1 1 1 18 8  46 o 18.2332 4.31559 -1.00108     0.679696  2.07509      0.707274  17.0075     82.3162     6.13959     82.3162     
1 1 1 18 8  47 o 12.2299 4.08213 0.185208     0.694482  -0.355357    0.664253  1.02722     282.416     0.0355092   282.416     
1 1 1 18 8  48 o 12.8786 4.29115 0.732864     0.783373  -1.18633     0.801114  6.81438     17.6253     0.223718    17.6253     
1 1 1 18 8  49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 9  0  o 72.4738 3.09864 9.79948      1.15424   9.79948      1.15424   108.77      180         50.1121     180         
1 1 1 18 9  1  o 50.1187 3.77337 4.19289      0.979153  5.34343      0.929096  48.4737     280.84      13.9362     100.84      
1 1 1 18 9  2  o 26.23   4.9101  1.08659      0.703938  1.61118      0.66969   14.7323     57.1622     6.41863     57.1622     
1 1 1 18 9  3  o 50.2752 3.61893 5.17595      0.973411  4.38296      0.886771  64.0416     340.573     18.3406     340.573     
1 1 1 18 9  4  o 70.0879 3.14809 9.80421      1.15085   8.57121      1.12241   82.4786     243.889     6.798       243.889     
1 1 1 18 9  5  o 75.7685 3.1119  10.7143      1.21637   10.7231      1.21752   90.936      333.94      10.4653     333.941     
1 1 1 18 9  6  o 45.4816 3.73877 3.36523      0.848473  4.53009      0.865703  39.2531     204.18      21.7825     24.1804     
1 1 1 18 9  7  o 46.7513 3.68713 4.90021      0.888933  3.45188      0.849447  55.7941     351.678     9.95258     351.678     
1 1 1 18 9  8  o 60.49   3.10782 5.66117      0.904201  8.15951      1.02443   60.843      130.661     13.9472     310.661     
1 1 1 18 9  9  o 63.3576 3.00846 7.39493      0.970503  7.62494      0.994166  64.0078     275.238     14.2592     95.2381     
1 1 1 18 9  10 o 89.4387 2.6613  15.4307      1.23517   14.3447      1.22598   113.438     67.5415     24.4475     67.5415     
1 1 1 18 9  11 o 70.8539 2.84523 10.2735      1.05229   8.52244      1.02431   91.3291     251.028     24.0082     251.028     
1 1 1 18 9  12 o 36.4987 3.99595 2.54864      0.765661  2.60291      0.694587  37.9083     95.7752     0.792168    275.775     
1 1 1 18 9  13 o 27.3302 4.47882 1.31399      0.634865  1.65318      0.612606  26.8449     231.52      4.70489     231.52      
1 1 1 18 9  14 o 92.0032 2.68828 16.9931      1.30423   14.651       1.25228   92.919      110.984     21.9232     290.984     
1 1 1 18 9  15 o 19.7491 4.67101 0.529267     0.582472  0.89085      0.560533  10.3498     295.003     7.20516     115.003     
1 1 1 18 9  16 o 10.9017 3.54263 -0.643576    0.469125  -0.110929    0.469478  8.29449     253.006     29.0712     253.006     
1 1 1 18 9  17 o 13.6696 4.13219 0.0825573    0.542689  -0.0284846   0.496032  7.27767     315.508     37.1228     315.508     
1 1 1 18 9  18 o 19.7558 4.72814 0.729101     0.582978  0.733681     0.568891  5.95518     125.869     25.7383     305.869     
1 1 1 18 9  19 f 13.7383 4.09553 -0.329952    0.530802  0.319437     0.515614  27.8592     165.625     0           0           
1 1 1 18 9  20 o 38.1111 3.75619 2.73066      0.727718  2.95362      0.714167  43.6714     76.0772     5.79729     76.0772     
1 1 1 18 9  21 f 53.0154 3.27461 5.85775      0.939451  4.96478      0.843056  76.5065     191.827     0           0           
1 1 1 18 9  22 o 43.5487 4.37568 4.70636      0.939788  2.99236      0.934698  40.2831     30.6867     14.3464     210.687     
1 1 1 18 9  23 o 18.4413 4.8813  0.739225     0.633014  0.394196     0.640382  15.4608     334.797     0.806911    154.797     
1 1 1 18 9  24 o 28.8388 4.92351 1.71437      0.736656  1.78691      0.718849  22.5446     97.9062     15.8758     277.906     
1 1 1 18 9  25 o 28.7744 4.45911 1.04658      0.662097  2.45224      0.66451   32.6081     74.0906     5.36271     74.0906     
1 1 1 18 9  26 o 37.4141 3.89784 2.17378      0.709732  3.50557      0.723767  30.5053     248.653     19.7144     68.6529     
1 1 1 18 9  27 o 22.6754 4.87622 1.13079      0.636647  1.05209      0.611583  20.2255     191.827     5.08833     11.8267     
1 1 1 18 9  28 f 43.4552 3.58639 3.52295      0.80162   4.00986      0.777421  39.4177     288.657     0           0           
1 1 1 18 9  29 o 10.1024 3.44059 -0.719396    0.518283  -0.676215    0.547924  3.83993     4.86534     24.8584     4.86534     
1 1 1 18 9  30 o 17.1084 4.78336 0.816845     0.693362  0.0351048    0.608344  11.6586     247.047     8.44569     67.0469     
1 1 1 18 9  31 o 20.5158 4.84193 1.1983       0.633179  0.588148     0.611032  18.7346     235.781     1.83244     55.7813     
1 1 1 18 9  32 o 19.8741 4.82742 0.539798     0.635969  1.10471      0.608239  19.6326     80.3719     12.1759     80.3719     
1 1 1 18 9  33 o 19.9009 4.62261 1.4548       0.641215  0.0870059    0.627937  13.5607     83.823      11.9955     263.823     
1 1 1 18 9  34 o 21.6135 5.23066 0.826814     0.675709  1.36592      0.749842  15.6024     101.282     11.5731     281.282     
1 1 1 18 9  35 o 16.9268 4.87089 0.677894     0.6539    0.269109     0.715165  8.876       211.162     14.6206     31.1617     
1 1 1 18 9  36 o 23.5747 5.24131 0.720958     0.762373  2.04066      0.787922  23.8751     298.274     1.60193     298.274     
1 1 1 18 9  37 o 16.6872 4.62978 -0.456837    0.750005  1.06884      0.639773  14.4008     296.464     1.46607     116.464     
1 1 1 18 9  38 o 18.1757 4.80629 0.167217     0.678057  1.24626      0.661698  17.8766     201.953     2.97004     201.953     
1 1 1 18 9  39 o 19.9439 4.22468 -0.586486    0.666724  1.99303      0.661424  7.75306     280.253     6.1651      280.253     
1 1 1 18 9  40 o 18.6717 5.02067 0.52714      0.693519  1.2875       0.704901  15.8294     150.567     9.91604     150.567     
1 1 1 18 9  41 o 16.9764 4.80766 1.33288      0.735839  -0.106795    0.687554  15.1378     315.195     2.43106     315.195     
1 1 1 18 9  42 o 18.5588 5.03635 1.46486      0.728348  0.433015     0.730174  12.6618     325.886     8.95134     145.886     
1 1 1 18 9  43 o 18.6637 5.40048 0.878339     0.855132  1.37449      0.83246   16.7763     349.678     1.59069     349.678     
1 1 1 18 9  44 o 22.608  5.3165  0.939991     0.766187  2.39521      0.821217  23.8625     352.313     7.89391     352.313     
1 1 1 18 9  45 o 15.6319 4.74767 0.561719     0.689361  0.703594     0.695415  10.8459     110.302     0.423734    110.302     
1 1 1 18 9  46 o 11.9373 3.9928  0.0489681    0.662654  -0.332903    0.648685  4.87801     31.0047     4.20062     211.005     
1 1 1 18 9  47 o 14.3075 4.63168 0.706443     0.793281  0.113675     0.764529  8.56895     163.811     5.08531     343.811     
1 1 1 18 9  48 o 15.383  4.83878 -0.603374    0.851946  1.48271      0.865775  12.1047     12.4804     1.3974      12.4804     
1 1 1 18 10 0  o 15.8754 5.62086 0.697969     0.56575   0.697969     0.56575   0.842585    180         22.2505     8.65095e-06 
1 1 1 18 10 1  o 45.9716 3.38397 3.8921       0.77067   4.09065      0.818621  43.7834     29.769      13.4139     209.769     
1 1 1 18 10 2  o 106.227 2.61335 21.739       1.44701   20.1831      1.42581   121.243     280.687     0.471992    280.687     
1 1 1 18 10 3  o 62.7149 2.91446 6.9512       0.929869  7.75419      0.953453  73.6746     279.59      7.18156     279.59      
1 1 1 18 10 4  o 126.288 2.53922 30.9854      1.66666   28.2299      1.65229   151.756     313.219     15.358      313.219     
1 1 1 18 10 5  o 43.1947 3.40882 4.23432      0.748481  2.89376      0.729807  36.2054     347.03      22.1879     167.03      
1 1 1 18 10 6  o 139.917 2.52084 36.9865      1.82988   35.6848      1.8234    175.064     258.199     30.974      258.199     
1 1 1 18 10 7  o 20.0798 4.54018 1.12444      0.581476  0.32558      0.549685  10.0255     165.531     8.05624     345.531     
1 1 1 18 10 8  o 28.9672 4.41561 1.52603      0.664173  1.78372      0.62306   13.557      188.546     33.3002     8.54601     
1 1 1 18 10 9  f 65.4176 2.97885 9.57705      1.04273   6.5994       0.95391   67.0097     349.01      0           0           
1 1 1 18 10 10 o 21.8016 4.56029 0.682534     0.566567  1.15605      0.558948  11.9571     344.674     14.3713     164.674     
1 1 1 18 10 11 o 12.9173 3.99112 -0.351991    0.523719  0.101784     0.511601  3.15139     344.682     18.4371     344.682     
1 1 1 18 10 12 o 89.1464 2.87273 16.8981      1.33838   12.9902      1.29674   115.551     304.307     30.8919     304.307     
1 1 1 18 10 13 f 58.1169 3.14341 6.11563      0.930573  6.64665      0.948317  42.6902     122.337     0           0           
1 1 1 18 10 14 o 40.873  3.60176 2.48625      0.719646  4.02268      0.73601   37.8908     7.48243     12.5362     187.482     
1 1 1 18 10 15 o 10.9912 3.61634 -0.46501     0.486624  -0.368516    0.512181  4.22985     321.795     18.1358     321.795     
1 1 1 18 10 16 o 43.0888 3.60639 4.51456      0.77605   2.74829      0.760314  40.0406     208.69      13.7063     28.6896     
1 1 1 18 10 17 o 28.2885 4.42774 2.21924      0.651981  1.06174      0.635749  17.9144     251.298     23.3385     71.2977     
1 1 1 18 10 18 o 16.3544 4.41439 0.656385     0.554905  0.0408588    0.531403  1.11718     192.405     28.0943     12.4046     
1 1 1 18 10 19 f 15.4363 4.28251 0.576819     0.533586  -0.087502    0.520746  25.8903     118.327     0           0           
1 1 1 18 10 20 o 13.5456 4.12331 -0.422549    0.558707  0.268157     0.539637  4.50673     28.7644     6.81689     208.764     
1 1 1 18 10 21 o 26.2054 4.98003 1.94329      0.752782  0.967806     0.666998  25.5332     300.108     2.19431     120.108     
1 1 1 18 10 22 o 23.0621 5.23703 1.3633       0.751521  0.840682     0.683241  18.1226     194.293     10.257      14.2927     
1 1 1 18 10 23 o 25.4051 4.90688 0.954039     0.645854  1.78165      0.713673  11.4401     261.739     30.7408     81.7388     
1 1 1 18 10 24 o 53.1646 3.15962 5.88327      0.883565  5.05602      0.840533  70.8378     221.352     26.0572     221.352     
1 1 1 18 10 25 o 12.6286 3.99315 -0.188733    0.537582  -0.0953273   0.534633  2.72196     321.622     0.128588    141.622     
1 1 1 18 10 26 o 12.1193 3.82827 -0.461105    0.503514  0.0862587    0.506104  2.16285     344.694     16.3965     164.694     
1 1 1 18 10 27 o 37.6025 4.00687 2.40681      0.756028  3.39514      0.731499  41.6864     209.636     3.49309     209.636     
1 1 1 18 10 28 o 32.7431 4.23205 1.70814      0.682507  2.82078      0.686725  40.3928     227.969     12.8576     227.969     
1 1 1 18 10 29 o 35.7836 4.42045 3.35247      0.754687  2.10647      0.795118  43.8186     86.901      12.9855     86.901      
1 1 1 18 10 30 o 21.0294 5.59583 0.914434     0.738406  0.938416     0.927228  18.5075     12.0824     3.16552     192.082     
1 1 1 18 10 31 o 15.7967 4.61368 0.443196     0.595133  0.152791     0.6464    11.719      313.811     3.89555     313.811     
1 1 1 18 10 32 o 20.8192 4.72506 1.66324      0.702499  0.145278     0.614974  23.9711     106.933     11.3163     106.933     
1 1 1 18 10 33 o 14.3594 4.42444 0.155276     0.641783  0.0724182    0.593982  10.2188     277.107     2.3012      277.107     
1 1 1 18 10 34 o 23.09   5.05413 1.04209      0.713299  1.49168      0.650745  21.4437     331.162     2.66876     151.162     
1 1 1 18 10 35 o 13.3662 4.18725 -0.440584    0.594395  0.340297     0.602322  5.1877      294.104     13.8334     114.104     
1 1 1 18 10 36 o 18.9855 4.98555 0.302539     0.649652  1.34718      0.733964  11.1247     353.309     14.7595     173.309     
1 1 1 18 10 37 o 17.4218 4.99454 1.0854       0.762749  0.160375     0.698099  15.9956     100.733     0.829696    100.733     
1 1 1 18 10 38 o 24.9504 5.28242 1.40561      0.812966  1.96136      0.711366  31.5568     20.6847     17.0324     20.6847     
1 1 1 18 10 39 o 11.8204 3.88631 -1.0365      0.614983  0.24658      0.608208  5.36224     54.2499     1.21133     234.25      
1 1 1 18 10 40 o 14.9416 4.66305 0.583884     0.764731  0.117894     0.646399  10.4819     190.487     3.28979     190.487     
1 1 1 18 10 41 o 25.1292 5.13128 2.59452      0.788658  1.11219      0.737223  26.0245     75.3287     4.20065     75.3287     
1 1 1 18 10 42 o 14.1    4.31704 -0.661669    0.653712  0.882343     0.653429  5.11915     310.402     2.24578     310.402     
1 1 1 18 10 43 o 16.0156 4.90168 0.862192     0.780316  0.462668     0.71955   12.4165     59.2779     1.26485     59.278      
1 1 1 18 10 44 o 12.429  4.12465 -0.20563     0.686565  0.0640366    0.665658  4.8166      215.169     2.51968     35.1693     
1 1 1 18 10 45 o 10.8644 3.72225 -0.30676     0.648142  -0.660845    0.651399  2.85199     197.775     6.62069     17.7755     
1 1 1 18 10 46 o 13.0264 4.21085 -0.681629    0.674715  0.710415     0.682956  2.83704     49.3235     0.633989    49.3235     
1 1 1 18 10 47 o 11.9593 4.03316 -0.779214    0.723012  0.267377     0.703631  5.67202     285.421     5.26695     105.421     
1 1 1 18 10 48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 11 0  o 85.389  2.67242 13.5376      1.17758   13.5376      1.17758   105.875     7.24395e-06 16.5123     7.24395e-06 
1 1 1 18 11 1  o 38.7235 3.57602 2.69066      0.697131  3.04157      0.701914  47.5204     265.849     14.594      265.849     
1 1 1 18 11 2  o 31.61   4.08249 2.07426      0.643679  1.82346      0.643917  28.343      285.471     8.05205     105.471     
1 1 1 18 11 3  o 23.907  4.71945 0.646186     0.581497  1.62563      0.682322  18.005      275.632     5.17128     95.6318     
1 1 1 18 11 4  o 15.7027 4.35438 -0.0802618   0.488983  0.588061     0.585459  1.35667     36.8964     14.7491     216.896     
1 1 1 18 11 5  o 36.3252 3.9866  2.68914      0.67656   2.41943      0.766017  34.6222     223.187     7.40073     43.1866     
1 1 1 18 11 6  o 19.9652 4.18912 1.38241      0.552505  -0.204708    0.601691  10.4668     182.599     6.95278     2.59932     
1 1 1 18 11 7  o 50.551  3.45262 5.62057      0.889896  4.1341       0.879199  36.9622     303.922     37.9863     123.922     
1 1 1 18 11 8  o 28.4966 4.42103 2.86378      0.722925  0.464004     0.682877  22.312      223.802     12.4829     43.8019     
1 1 1 18 11 9  o 25.5651 4.83484 1.66731      0.673617  0.951866     0.660497  19.5786     330.45      9.09453     150.45      
1 1 1 18 11 10 o 10.4958 3.46742 -0.0988133   0.487304  -1.2938      0.520541  18.4233     181.752     52.509      181.752     
1 1 1 18 11 11 o 15.8479 4.4966  0.39659      0.532463  0.0791275    0.612913  3.20356     176.893     11.0934     356.893     
1 1 1 18 11 12 o 36.5582 4.06409 3.04133      0.703606  2.21292      0.760801  42.8553     110.546     9.67266     110.546     
1 1 1 18 11 13 o 46.9209 3.55621 4.30926      0.806475  4.14256      0.890994  59.7705     178.734     18.3342     178.734     
1 1 1 18 11 14 o 43.5265 3.53745 3.46764      0.753201  3.83466      0.814476  49.8359     198.005     5.71933     198.005     
1 1 1 18 11 15 o 20.8232 4.80246 0.772066     0.614204  0.908579     0.580605  4.70143     322.864     32.1084     142.864     
1 1 1 18 11 16 o 30.1294 4.23365 2.13828      0.66346   1.52403      0.613376  17.9083     72.4971     28.2502     252.497     
1 1 1 18 11 17 o 16.3952 4.45759 0.547487     0.562257  0.225421     0.513933  0.0303359   205.073     31.4379     205.071     
1 1 1 18 11 18 o 17.8048 4.65733 0.815053     0.616213  0.201737     0.559239  13.113      216.083     0.347772    36.083      
1 1 1 18 11 19 o 41.2929 3.79914 3.41531      0.81394   3.30506      0.773834  52.4089     173.783     16.2324     173.783     
1 1 1 18 11 20 o 67.4647 3.20482 9.85872      1.12854   7.71269      1.0903    74.5202     41.7138     0.316272    41.7134     
1 1 1 18 11 21 o 14.6144 4.22375 0.613295     0.596608  -0.532573    0.524337  6.5591      31.1146     1.07598     31.1146     
1 1 1 18 11 22 f 64.7192 3.50828 8.00072      1.14603   8.31791      1.19003   70.7605     353.76      0           0           
1 1 1 18 11 23 o 40.261  3.91629 3.70523      0.776532  2.79945      0.794933  42.5718     118.87      1.53092     298.87      
1 1 1 18 11 24 o 42.7799 3.49221 3.82853      0.779893  3.39424      0.740148  53.0721     338.307     14.3788     338.307     
1 1 1 18 11 25 o 24.7308 4.82432 1.58242      0.638155  1.03921      0.661865  32.4388     187.092     20.9444     187.092     
1 1 1 18 11 26 o 12.0106 3.84812 0.0635741    0.52861   -0.671529    0.547912  2.13578     302.495     16.0344     122.495     
1 1 1 18 11 27 o 12.0413 3.85533 -0.644345    0.571285  0.0542898    0.509951  1.73103     197.195     0.274076    17.1954     
1 1 1 18 11 28 o 20.2563 4.87229 0.514976     0.672364  1.14116      0.60895   9.7514      0.0524409   21.0733     180.052     
1 1 1 18 11 29 o 15.445  4.53987 0.108977     0.599592  0.409297     0.608555  8.96535     82.4211     9.73435     262.421     
1 1 1 18 11 30 o 26.5688 5.21247 2.37428      0.813976  0.89389      0.784936  14.5205     22.9077     25.6516     202.908     
1 1 1 18 11 31 o 13.0346 4.12627 0.0410548    0.579381  -0.217823    0.573515  3.75193     239.084     15.5792     59.0842     
1 1 1 18 11 32 o 26.8396 4.8858  1.38585      0.693914  1.95479      0.689152  25.6113     345.959     3.02403     165.959     
1 1 1 18 11 33 f 28.1917 4.78687 2.30961      0.722238  1.41399      0.679354  24.4704     221.492     0           0           
1 1 1 18 11 34 f 16.4705 4.67834 0.442917     0.639447  0.550663     0.58534   14.4196     28.5784     0           0           
1 1 1 18 11 35 o 17.8119 4.88224 0.752461     0.661244  0.656093     0.625566  14.7874     142.291     3.62414     322.291     
1 1 1 18 11 36 o 14.3387 4.36362 -0.156053    0.628496  0.509352     0.593566  10.9086     57.3965     4.48116     57.3965     
1 1 1 18 11 37 o 24.6153 5.35926 1.32974      0.701347  2.00545      0.811525  31.5889     52.5224     18.8432     52.5224     
1 1 1 18 11 38 o 14.4566 4.56457 0.703665     0.754892  -0.591797    0.719533  9.37452     18.6423     2.83758     18.6423     
1 1 1 18 11 39 o 17.2676 4.98958 0.367432     0.804201  1.00955      0.685807  11.369      11.7183     8.46244     191.718     
1 1 1 18 11 40 o 15.7083 4.68256 0.817573     0.675519  0.22823      0.654963  11.8516     258.356     2.57125     78.3556     
1 1 1 18 11 41 o 20.9512 4.99    0.48319      0.720193  2.05584      0.746286  20.7367     129.915     3.35299     129.915     
1 1 1 18 11 42 o 14.3811 4.5342  0.00825775   0.724083  0.608475     0.682414  9.64294     296.502     0.52529     116.502     
1 1 1 18 11 43 o 12.3806 4.12146 -0.279298    0.69823   0.0553728    0.672935  3.42607     89.2033     0.730267    269.203     
1 1 1 18 11 44 o 19.1988 4.83363 0.153054     0.728593  1.9091       0.721688  13.1662     312.119     7.93826     132.119     
1 1 1 18 11 45 o 10.0022 3.48342 -0.661298    0.650818  -0.812141    0.626631  1.50386     276.148     9.2756      96.1485     
1 1 1 18 11 46 o 16.5868 4.96519 1.00083      0.723192  0.812418     0.759622  13.3812     329.912     0.335482    329.913     
1 1 1 18 11 47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 12 0  o 6.38613 3.19285 -0.525462    0.431003  -0.525462    0.431003  10.2193     4.96354e-05 23.4125     4.96354e-05 
1 1 1 18 12 1  o 55.8613 3.25346 5.90298      0.877478  5.89835      0.986068  64.0225     159.227     5.18671     159.227     
1 1 1 18 12 2  o 20.5778 4.99115 0.990218     0.6536    0.521734     0.654918  7.08975     352.195     22.678      172.195     
1 1 1 18 12 3  f 40.5378 3.87634 3.1796       0.782617  3.16345      0.804461  43.9969     109.73      0           0           
1 1 1 18 12 4  o 70.5973 3.13104 9.43653      1.13767   9.34303      1.14232   73.6404     317.753     10.2542     137.753     
1 1 1 18 12 5  o 27.4819 4.73805 1.03304      0.668713  2.0267       0.701049  21.7306     50.6718     13.0493     50.6718     
1 1 1 18 12 6  o 59.8892 3.21896 6.56415      0.988961  7.00837      0.993912  80.7372     234.532     30.1073     234.531     
1 1 1 18 12 7  o 15.3233 4.43419 0.388362     0.565346  -0.0742674   0.582015  1.53391     310.48      16.7211     130.48      
1 1 1 18 12 8  o 70.7749 3.14042 10.0302      1.14708   8.90888      1.14243   91.0029     215.958     24.9836     215.958     
1 1 1 18 12 9  o 19.2943 4.59547 1.16288      0.613449  -0.0112247   0.613047  3.41769     191.188     29.5351     11.1882     
1 1 1 18 12 10 o 96.9897 2.87259 17.3017      1.43566   18.0857      1.44601   117.547     267.48      17.9883     267.48      
1 1 1 18 12 11 o 55.7893 3.37313 6.08129      0.960677  5.80974      0.970788  54.5262     104.705     14.054      284.705     
1 1 1 18 12 12 o 35.5015 4.26609 2.25003      0.740329  2.76748      0.771447  31.9637     2.97062     11.7469     182.971     
1 1 1 18 12 13 o 49.1842 3.50764 4.39981      0.872736  4.92884      0.889727  64.1534     349.176     21.6306     349.176     
1 1 1 18 12 14 o 44.6162 3.80819 2.89905      0.810946  5.00212      0.870098  42.1022     135.282     13.1016     315.282     
1 1 1 18 12 15 o 36.4869 4.20812 2.23675      0.749898  3.10983      0.776738  29.09       154.211     20.4933     334.211     
1 1 1 18 12 16 o 39.1885 4.06463 2.63968      0.768424  3.49119      0.828268  37.7706     42.2871     9.04198     222.287     
1 1 1 18 12 17 o 28.8787 4.69513 1.75776      0.654769  1.69545      0.721991  21.2611     297.197     18.3397     117.197     
1 1 1 18 12 18 o 24.2661 4.8959  1.32585      0.626621  1.12968      0.671209  8.86629     254.627     33.0773     74.6266     
1 1 1 18 12 19 o 20.1301 4.72008 0.977421     0.586214  0.616877     0.57655   20.5856     144.902     5.29135     144.902     
1 1 1 18 12 20 o 26.1618 4.96791 1.34448      0.644317  1.55404      0.731901  25.7191     0.665556    2.40544     180.666     
1 1 1 18 12 21 o 51.1866 4.09484 4.98275      0.950798  5.50665      1.17807   57.7341     148.727     4.32466     148.727     
1 1 1 18 12 22 o 19.1383 4.99409 0.663296     0.698217  0.678787     0.612031  18.2084     350.202     1.58915     350.202     
1 1 1 18 12 23 o 38.2618 4.35218 2.25125      0.829033  3.85585      0.782954  44.0499     44.135      6.82428     44.135      
1 1 1 18 12 24 o 32.5621 4.39088 2.14643      0.756956  2.28185      0.667551  37.3098     304.379     6.65556     304.379     
1 1 1 18 12 25 o 42.745  3.86104 4.02118      0.88708   3.40296      0.785934  48.003      110.623     4.92726     110.623     
1 1 1 18 12 26 o 19.3262 4.5632  1.27003      0.616977  0.145691     0.572901  20.4146     135.888     9.79075     135.888     
1 1 1 18 12 27 o 55.1163 3.27504 5.96933      0.93119   6.07008      0.922689  59.9917     113.788     2.04662     113.788     
1 1 1 18 12 28 o 18.3704 4.59055 1.15687      0.616898  0.0079111    0.606008  13.0208     39.6382     8.92564     219.638     
1 1 1 18 12 29 o 14.4831 4.40233 0.0130243    0.575572  0.248627     0.618338  9.85677     25.7129     1.29706     25.7128     
1 1 1 18 12 30 o 15.9506 4.7257  0.267922     0.68197   0.358192     0.634483  7.70798     232.99      14.4053     52.9897     
1 1 1 18 12 31 o 15.6072 4.49367 -0.0193591   0.608656  0.630561     0.586112  9.27885     340.283     10.1614     160.283     
1 1 1 18 12 32 o 13.4464 4.22307 0.207796     0.604105  -0.236139    0.588202  4.88317     9.5255      14.5846     189.526     
1 1 1 18 12 33 o 15.8981 4.59905 0.54633      0.617369  0.299414     0.591675  13.1412     243.137     1.6898      63.1366     
1 1 1 18 12 34 o 14.2129 4.15951 -0.754024    0.601166  0.75096      0.574973  10.3289     133.329     3.97127     313.329     
1 1 1 18 12 35 o 15.365  4.51473 0.170528     0.618046  0.59102      0.591258  13.3472     193.427     0.964205    193.427     
1 1 1 18 12 36 o 11.0712 3.69795 -0.51278     0.554802  -0.213066    0.562957  4.87843     139.035     5.70373     319.035     
1 1 1 18 12 37 o 10.3229 3.5249  -1.02617     0.57936   -0.269902    0.574428  1.61158     218.634     0.962142    38.6344     
1 1 1 18 12 38 o 13.0588 4.11934 -1.28731     0.557812  0.82451      0.696515  7.95487     195.596     2.06882     15.5955     
1 1 1 18 12 39 o 14.3193 4.58307 0.489369     0.749223  -0.114872    0.729163  10.2557     81.286      0.0259862   81.2859     
1 1 1 18 12 40 o 13.6486 4.39708 0.178952     0.752332  0.143365     0.618784  9.181       40.1097     1.63217     220.11      
1 1 1 18 12 41 o 17.6921 4.93877 1.32218      0.711995  0.470217     0.68441   15.3034     271.038     1.35604     271.038     
1 1 1 18 12 42 o 13.9588 4.43411 0.257385     0.712063  0.337634     0.630388  6.90415     292.081     7.59579     112.081     
1 1 1 18 12 43 o 15.3054 4.64762 0.11345      0.668803  0.946288     0.701704  3.62751     212.732     1.54172     212.732     
1 1 1 18 12 44 o 11.7649 3.93209 -0.395822    0.663618  0.0597684    0.616822  2.53935     277.977     0.44195     97.9766     
1 1 1 18 12 45 o 9.50604 3.32313 -0.939055    0.637277  -0.658418    0.571326  1.69448     113.378     3.16781     293.378     
1 1 1 18 12 46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 13 0  o 42.1504 4.86695 3.59838      0.978296  3.59838      0.978296  59.9207     6.10383e-06 24.6975     6.10383e-06 
1 1 1 18 13 1  o 61.7228 3.47999 7.27566      1.18214   7.25137      1.01899   74.3668     91.1373     12.6377     91.1373     
1 1 1 18 13 2  o 55.9205 3.31871 5.71608      0.937365  6.1877       0.968696  48.3301     359.195     26.94       179.195     
1 1 1 18 13 3  o 53.6113 3.4242  5.71646      0.930148  5.26013      0.949856  56.8136     168.525     4.10821     348.525     
1 1 1 18 13 4  o 26.7698 4.45585 0.88181      0.664141  2.00621      0.598791  29.3762     125.806     12.4949     125.806     
1 1 1 18 13 5  o 20.6184 4.46767 0.215333     0.626745  1.2713       0.547501  12.1155     97.5434     13.3083     277.543     
1 1 1 18 13 6  o 16.5189 4.44061 0.574413     0.56554   0.22297      0.495103  5.4462      316.854     2.80704     136.854     
1 1 1 18 13 7  o 88.8946 2.7052  13.2214      1.22865   16.5607      1.24817   90.4614     195.466     17.5827     15.4662     
1 1 1 18 13 8  o 19.9776 4.44716 1.02399      0.539131  0.516294     0.515126  15.1235     348.686     1.48699     348.686     
1 1 1 18 13 9  o 30.1771 4.17611 1.37351      0.632522  2.30634      0.62171   25.515      253.601     12.0437     73.6011     
1 1 1 18 13 10 o 22.5888 4.35713 1.61742      0.585002  0.396521     0.569305  15.9292     104.505     12.6377     284.505     
1 1 1 18 13 11 o 42.6684 3.32078 3.60684      0.732049  3.40888      0.712601  51.9947     161.179     12.1007     161.179     
1 1 1 18 13 12 o 18.8146 4.59551 0.66249      0.55078   0.659531     0.538521  11.8683     266.439     10.8085     86.4391     
1 1 1 18 13 13 o 36.4628 4.37222 1.86525      0.817067  3.59057      0.701521  41.078      145.744     4.73656     145.744     
1 1 1 18 13 14 o 27.4841 4.64731 1.84608      0.707021  1.29828      0.604486  21.43       303.994     14.424      123.994     
1 1 1 18 13 15 o 49.967  3.67603 5.02811      0.93761   4.74653      0.938002  51.7303     188.387     5.60373     8.38667     
1 1 1 18 13 16 o 55.3288 3.6909  6.02837      0.988957  5.95566      1.09812   66.4887     359.697     12.2012     359.697     
1 1 1 18 13 17 o 23.1254 4.97692 1.87695      0.777695  0.23692      0.688837  14.1493     256.832     19.2901     76.8322     
1 1 1 18 13 18 o 27.7507 5.03186 2.19776      0.790276  1.11102      0.70156   29.6995     268.813     2.22864     268.813     
1 1 1 18 13 19 o 18.5955 4.68291 -0.0286121   0.607576  1.11946      0.650763  16.4976     315.274     1.50864     135.274     
1 1 1 18 13 20 o 26.156  5.11778 1.68226      0.715634  1.25944      0.731428  21.0269     108.455     12.0664     288.455     
1 1 1 18 13 21 o 20.4263 4.67912 1.10528      0.602159  0.604996     0.54908   10.4598     276.14      20.4015     96.1397     
1 1 1 18 13 22 o 16.1439 4.02567 -0.729632    0.54553   1.03049      0.54502   11.5179     41.3621     6.29072     221.362     
1 1 1 18 13 23 o 14.5993 4.28155 -0.0859083   0.548264  0.413828     0.544986  4.86538     245.628     1.71331     245.628     
1 1 1 18 13 24 o 12.6753 3.94487 0.0761154    0.521991  -0.162824    0.486641  6.08658     89.5906     6.53545     269.591     
1 1 1 18 13 25 o 44.1819 3.52587 4.4731       0.806123  3.39294      0.770486  50.9352     327.568     8.17605     327.568     
1 1 1 18 13 26 o 23.6919 4.8969  1.2224       0.658868  1.27458      0.620754  21.0814     189.513     5.02988     9.51312     
1 1 1 18 13 27 o 18.8716 4.58907 1.17735      0.61211   0.222812     0.559232  14.7366     311.222     6.34076     131.222     
1 1 1 18 13 28 o 15.4807 4.48601 0.235732     0.60001   0.392941     0.55408   11.0279     239.319     4.13344     239.319     
1 1 1 18 13 29 o 9.6443  3.30149 -1.04983     0.518263  -0.447511    0.508011  1.51865     355.107     9.33977     175.107     
1 1 1 18 13 30 o 17.2834 4.86439 0.447123     0.693532  0.635623     0.623588  14.5463     328.935     8.24498     328.935     
1 1 1 18 13 31 o 16.7087 4.05804 1.3067       0.592219  -0.795206    0.547966  16.6927     233.009     5.08561     233.009     
1 1 1 18 13 32 f 17.9087 4.92122 0.635934     0.683718  0.736831     0.63079   15.9243     110.01      0           0           
1 1 1 18 13 33 o 16.2459 4.47347 -0.247147    0.613848  1.01759      0.616861  15.8372     146.938     4.83965     146.938     
1 1 1 18 13 34 o 16.0146 4.63988 0.423598     0.651648  0.550755     0.583459  6.37194     292.517     17.6024     112.517     
1 1 1 18 13 35 o 11.1426 3.69885 0.0251581    0.565618  -0.790725    0.54466   5.11076     280.268     2.78479     100.268     
1 1 1 18 13 36 o 29.6786 5.22197 2.29043      0.796231  2.43344      0.804456  35.8188     277.753     14.2158     277.753     
1 1 1 18 13 37 o 12.9251 4.14573 -0.159734    0.642578  0.189389     0.577546  5.05241     33.0017     11.4292     213.002     
1 1 1 18 13 38 o 15.0478 4.55056 0.714076     0.67213   0.154025     0.602765  9.33967     167.018     7.11303     347.018     
1 1 1 18 13 39 o 25.0688 5.04088 2.89808      0.822947  0.871166     0.73441   26.111      4.33037     4.81834     4.33037     
1 1 1 18 13 40 o 14.9168 4.67353 -0.450663    0.73187   1.04345      0.793124  9.91002     188.848     3.44913     8.84772     
1 1 1 18 13 41 o 11.2936 3.8097  0.297414     0.673242  -1.1359      0.570994  3.2999      290.947     6.74209     110.947     
1 1 1 18 13 42 o 14.0238 4.36212 1.09155      0.733329  -0.906266    0.630475  7.68368     274.583     0.0982345   274.583     
1 1 1 18 13 43 o 11.8809 3.98485 -0.198007    0.65679   -0.107349    0.662775  2.62309     258.348     0.397039    78.3476     
1 1 1 18 13 44 o 10.2805 3.53395 -0.799254    0.606371  -0.231292    0.596477  2.92191     269.218     3.70972     89.2178     
1 1 1 18 13 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 14 0  o 49.8547 4.27091 4.88386      1.06066   4.88386      1.06066   43.7239     7.53734e-06 24.3569     180         
1 1 1 18 14 1  o 16.5495 4.74388 0.0547243    0.727416  0.43784      0.570509  8.08005     260.638     3.85318     80.6377     
1 1 1 18 14 2  o 36.1783 4.49084 2.16889      0.892975  3.09812      0.674433  43.4468     7.6375      11.166      7.6375      
1 1 1 18 14 3  o 34.6497 3.98849 1.69255      0.672274  3.14642      0.670618  47.8998     246.515     25.8203     246.515     
1 1 1 18 14 4  o 62.0365 2.93976 7.99949      0.938711  6.62661      0.934372  74.2375     185.982     11.8873     185.982     
1 1 1 18 14 5  o 57.4674 2.99474 5.61275      0.877689  6.97847      0.885763  68.2408     237.883     10.3289     237.883     
1 1 1 18 14 6  o 16.3562 4.10245 0.848519     0.509032  -0.104945    0.467811  9.41613     231.699     5.3698      51.6986     
1 1 1 18 14 7  o 42.1205 3.40421 3.89349      0.731226  2.99608      0.717912  34.7866     173.44      22.0769     353.44      
1 1 1 18 14 8  o 16.0701 4.24576 0.0568696    0.493995  0.666228     0.50706   5.0879      98.8577     0.652165    98.8577     
1 1 1 18 14 9  o 52.5801 3.32998 4.91666      0.835493  5.75534      0.961801  70.6093     214.858     26.9805     214.858     
1 1 1 18 14 10 o 20.9523 4.5138  1.44423      0.579145  -0.0201696   0.708378  0.189956    270.487     42.9773     90.4869     
1 1 1 18 14 11 o 16.5324 4.42341 0.437312     0.52588   0.427632     0.513514  10.9068     143.704     5.34385     323.704     
1 1 1 18 14 12 o 36.6054 3.99611 2.8071       0.785709  2.54405      0.681767  40.9681     170.27      3.95261     170.27      
1 1 1 18 14 13 o 44.3253 3.57495 4.18259      0.872208  3.52171      0.742647  55.1561     103.662     14.7786     103.662     
1 1 1 18 14 14 o 23.0387 4.58413 1.77563      0.684111  0.442658     0.551226  13.6127     132.585     20.3098     312.585     
1 1 1 18 14 15 o 28.2643 4.50272 1.93846      0.669276  1.38412      0.623309  33.7527     273.758     9.56759     273.758     
1 1 1 18 14 16 o 41.5453 3.74967 2.69548      0.766881  4.21097      0.77249   43.1427     194.449     3.2316      14.449      
1 1 1 18 14 17 o 44.0956 3.62186 2.98494      0.785535  4.77338      0.796094  49.7048     246.126     4.48644     246.126     
1 1 1 18 14 18 o 38.7384 4.0039  3.3878       0.828493  2.6851       0.73226   44.183      313.077     5.88691     313.077     
1 1 1 18 14 19 o 91.5757 2.85107 15.8164      1.41042   16.3617      1.28326   118.956     201.193     38.4349     201.193     
1 1 1 18 14 20 o 39.8058 4.26171 2.1668       0.796948  4.52849      0.831566  41.3168     12.1999     2.04563     192.2       
1 1 1 18 14 21 o 16.9354 4.69856 0.508292     0.601341  0.394218     0.603907  3.10228     216.273     27.1692     36.2731     
1 1 1 18 14 22 o 13.4051 4.16918 0.162396     0.545932  -0.320284    0.603306  5.34304     197.151     12.2156     17.1506     
1 1 1 18 14 23 o 15.0321 4.45406 -0.011401    0.565427  0.40431      0.615305  10.7343     347.377     2.21457     167.377     
1 1 1 18 14 24 f 13.76   4.09705 -0.214607    0.526144  0.378422     0.512569  13.3039     314.22      0           0           
1 1 1 18 14 25 o 15.4393 4.3769  0.399766     0.54686   0.293168     0.519551  11.2923     317.538     3.14928     317.538     
1 1 1 18 14 26 o 13.226  4.00699 0.359609     0.525168  -0.330515    0.501918  6.4916      269.654     8.8847      89.6542     
1 1 1 18 14 27 o 11.5052 3.68521 0.187256     0.520027  -0.833668    0.487932  4.27714     294.236     8.82386     114.236     
1 1 1 18 14 28 o 14.4966 4.01759 -0.83365     0.538483  0.833481     0.550047  11.5503     208.81      1.90209     208.81      
1 1 1 18 14 29 o 24.2934 4.95057 1.23089      0.630692  1.57094      0.687614  27.1207     295.525     6.98639     295.525     
1 1 1 18 14 30 o 14.6151 4.49515 0.276918     0.669994  0.0787237    0.600575  11.8819     268.095     2.48981     268.095     
1 1 1 18 14 31 o 19.42   4.93668 0.940565     0.647767  0.854882     0.618792  12.3537     331.067     13.0511     151.067     
1 1 1 18 14 32 o 16.5264 4.38054 1.14918      0.61324   -0.28283     0.570618  14.925      323.692     0.223152    323.692     
1 1 1 18 14 33 o 18.8398 4.80653 1.1897       0.63585   0.524406     0.609393  11.0252     147.515     14.1697     327.515     
1 1 1 18 14 34 o 20.463  4.94018 1.59935      0.697445  0.581029     0.638194  14.9345     55.1723     11.2657     55.1723     
1 1 1 18 14 35 o 21.235  5.13673 1.73059      0.747361  0.785336     0.665667  21.4211     106.16      4.34218     106.16      
1 1 1 18 14 36 o 13.8229 4.31402 0.495827     0.637727  -0.10527     0.592261  5.24861     219.15      13.5404     39.1505     
1 1 1 18 14 37 o 23.055  4.48556 2.52851      0.711328  0.307349     0.657389  25.1873     128.315     7.55506     128.315     
1 1 1 18 14 38 o 12.3469 4.05067 -0.906228    0.61824   0.454056     0.67512   3.59683     236.317     13.3063     56.317      
1 1 1 18 14 39 o 15.2708 4.57293 -0.106194    0.67909   0.977008     0.669424  11.2709     321.502     0.829093    321.502     
1 1 1 18 14 40 o 12.7299 4.0999  -0.25228     0.620824  0.362572     0.600938  5.72668     125.861     3.16919     305.861     
1 1 1 18 14 41 o 19.7527 5.41987 1.01841      0.725775  1.69726      0.865385  18.2942     281.006     4.73873     281.006     
1 1 1 18 14 42 o 17.4281 5.26346 1.05488      0.953064  1.0369       0.754764  13.9943     299.854     0.34048     299.854     
1 1 1 18 14 43 o 16.4394 4.74307 -0.129907    0.704383  1.53996      0.740744  13.0066     315.248     0.338578    135.248     
1 1 1 18 14 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 15 0  o 9.5082  4.37088 -0.00686237  0.517361  -0.00686237  0.517361  4.11501     8.65067e-06 21.4602     8.65067e-06 
1 1 1 18 15 1  o 13.0949 3.74203 -1.2067      0.516842  0.569478     0.489217  4.19572     187.275     7.2375      7.27536     
1 1 1 18 15 2  o 59.6209 3.89587 6.86383      1.01667   7.06854      1.33881   80.8692     13.634      31.7606     13.634      
1 1 1 18 15 3  o 26.2809 5.01945 1.97059      0.692178  0.862284     0.798498  30.7992     142.32      10.9177     142.32      
1 1 1 18 15 4  o 49.2975 3.40498 4.45656      0.909904  4.96072      0.791787  59.3637     297.285     11.7363     297.285     
1 1 1 18 15 5  f 25.99   4.55974 1.21119      0.647466  1.57444      0.584473  49.624      244.187     0           0           
1 1 1 18 15 6  o 47.7251 3.32144 4.49693      0.851954  4.3197       0.769037  58.3686     35.4918     13.4045     35.4918     
1 1 1 18 15 7  o 59.1587 3.26031 6.67843      1.05399   6.81053      0.922463  72.162      150.144     15.0722     150.144     
1 1 1 18 15 8  o 44.1006 3.70477 5.15868      0.886169  2.67596      0.739221  56.4373     102.249     18.134      102.249     
1 1 1 18 15 9  o 12.7279 3.84086 -0.354565    0.483218  0.26026      0.459964  2.83095     4.42788     0.943923    184.428     
1 1 1 18 15 10 o 62.6852 3.21651 7.31493      0.988215  7.82639      1.0878    68.0815     333.121     0.99782     153.121     
1 1 1 18 15 11 o 60.0327 3.06928 6.41999      0.95043   7.43407      0.941538  64.1296     54.723      2.90675     234.723     
1 1 1 18 15 12 o 19.5902 4.60224 0.608878     0.541345  0.901538     0.559329  12.6325     91.1383     13.7002     271.138     
1 1 1 18 15 13 o 19.2668 3.5975  1.64839      0.545605  -0.65528     0.500236  18.4006     167.014     0.0433841   347.013     
1 1 1 18 15 14 o 26.1512 4.50081 0.988481     0.616283  1.88822      0.623275  29.1481     124.146     5.33344     124.146     
1 1 1 18 15 15 o 22.4861 4.64404 1.31434      0.590739  0.799069     0.581412  20.845      137.623     3.066       317.623     
1 1 1 18 15 16 o 15.0001 4.10883 0.695268     0.522084  -0.324836    0.502279  9.09083     174.056     8.26597     354.056     
1 1 1 18 15 17 o 21.4368 4.29848 1.66266      0.605732  0.169981     0.55264   14.6314     132.431     13.9846     312.431     
1 1 1 18 15 18 o 37.4548 3.75092 2.67249      0.712213  2.98741      0.700237  39.1845     152.608     0.922546    332.608     
1 1 1 18 15 19 o 19.87   4.68098 0.642264     0.582344  0.975483     0.563139  18.9963     237.058     0.835892    237.057     
1 1 1 18 15 20 o 10.08   3.37227 -0.437112    0.468937  -0.486531    0.464682  0.357161    331.77      13.5369     151.77      
1 1 1 18 15 21 o 13.9186 4.17385 0.46303      0.591548  -0.352165    0.501182  7.30383     53.1562     8.70976     233.156     
1 1 1 18 15 22 o 16.9057 4.59404 0.214304     0.63504   0.685412     0.541935  14.7118     135.89      4.95037     135.89      
1 1 1 18 15 23 o 23.4432 5.33583 1.11734      0.732661  1.38964      0.745681  17.773      238.269     11.1108     58.2694     
1 1 1 18 15 24 o 12.648  4.00632 -0.237172    0.547722  0.0161656    0.542113  5.54393     172.359     0.331098    352.359     
1 1 1 18 15 25 o 16.2819 4.50487 0.0328931    0.561374  0.771675     0.597764  10.3347     277.091     9.28808     97.0908     
1 1 1 18 15 26 o 15.5107 4.41411 0.31575      0.560658  0.42917      0.531088  11.1563     308.195     5.0535      128.195     
1 1 1 18 15 27 o 11.8559 3.80606 0.135204     0.548959  -0.540372    0.489549  6.38761     317.458     1.87307     137.458     
1 1 1 18 15 28 o 14.6883 4.36207 0.184311     0.590334  0.339619     0.539515  8.92818     3.76719     8.48666     183.767     
1 1 1 18 15 29 o 21.351  4.81406 1.59868      0.651943  0.534154     0.656353  21.2929     3.37732     1.69828     3.37732     
1 1 1 18 15 30 o 16.2321 4.50735 -0.4848      0.691534  1.02726      0.623177  14.206      30.8093     0.315684    210.809     
1 1 1 18 15 31 o 12.3244 3.87698 -0.74236     0.552047  0.377348     0.536592  5.04612     300.418     11.2057     120.418     
1 1 1 18 15 32 o 14.0013 4.27968 0.104456     0.595423  0.328715     0.552083  9.94029     39.555      2.72355     39.555      
1 1 1 18 15 33 o 12.449  3.97688 0.43972      0.612983  -0.727255    0.536977  6.20342     292.209     6.72796     112.209     
1 1 1 18 15 34 o 10.7067 3.60405 -0.460475    0.560027  -0.324494    0.540633  2.7665      63.39       9.69971     243.39      
1 1 1 18 15 35 o 19.4874 4.85071 1.45483      0.669256  0.628539     0.593306  20.5912     339.736     8.93875     339.736     
1 1 1 18 15 36 o 16.4925 4.72823 0.95973      0.669493  0.39322      0.608929  14.4404     303.472     2.54216     303.472     
1 1 1 18 15 37 o 14.7303 4.54233 0.508644     0.6686    0.333017     0.637437  5.22692     55.6322     15.5482     235.632     
1 1 1 18 15 38 o 12.0863 3.98086 0.295561     0.645859  -0.569124    0.588772  4.56156     210.407     1.42022     30.4067     
1 1 1 18 15 39 o 15.3141 4.66277 0.501113     0.681653  0.621931     0.661773  9.0914      54.9495     5.66312     234.949     
1 1 1 18 15 40 o 12.6125 4.11025 -0.122581    0.6602    0.197683     0.599883  4.50067     27.9177     0.645981    207.918     
1 1 1 18 15 41 o 11.9538 3.98758 -0.587772    0.701096  0.188776     0.629985  4.70127     99.5064     6.90839     279.506     
1 1 1 18 15 42 o 17.0335 5.18013 1.20332      0.781471  0.775331     0.926746  13.5376     332.748     0.439493    152.748     
1 1 1 18 15 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 16 0  o 17.5037 6.10424 0.892848     0.66266   0.892848     0.66266   18.3818     360         6.50875     360         
1 1 1 18 16 1  o 42.1271 4.11805 2.71157      0.835418  4.47963      0.873306  45.4629     35.2534     0.30378     35.2531     
1 1 1 18 16 2  o 18.8407 4.43533 -0.0255587   0.509722  1.26911      0.635772  11.3702     64.4025     14.3069     244.402     
1 1 1 18 16 3  o 32.819  4.91088 2.19878      0.796617  2.3012       0.822154  36.5229     328.81      4.22371     328.81      
1 1 1 18 16 4  o 56.2741 3.64015 6.85219      1.08128   5.56423      1.01526   63.6427     354.703     4.83818     354.703     
1 1 1 18 16 5  o 30.8674 4.85681 1.49816      0.849006  2.49243      0.682594  33.7177     260.78      3.02817     260.78      
1 1 1 18 16 6  o 22.7237 5.05351 1.32808      0.75302   0.839314     0.578656  14.4199     209.971     17.6317     29.9705     
1 1 1 18 16 7  o 71.5182 3.19527 9.3793       1.22839   10.3381      1.1163    91.0935     243.396     26.1896     243.396     
1 1 1 18 16 8  o 61.4302 3.2041  6.4033       1.00316   8.22134      1.00972   72.9109     21.1755     12.2574     21.1755     
1 1 1 18 16 9  o 17.2167 4.44445 0.594265     0.51847   0.448279     0.516277  15.3052     172.459     1.37309     172.459     
1 1 1 18 16 10 o 18.1019 4.49276 0.866405     0.55214   0.329575     0.524419  17.4633     336.086     6.96943     336.086     
1 1 1 18 16 11 o 20.7404 4.66473 0.667571     0.570279  1.0861       0.576599  11.9556     96.102      17.8959     276.102     
1 1 1 18 16 12 o 27.3462 4.45252 1.29376      0.625192  1.84859      0.618692  37.8695     106.029     23.5076     106.029     
1 1 1 18 16 13 o 20.4146 4.11956 -0.0188969   0.568167  1.52062      0.548077  16.2224     48.5783     7.91039     228.578     
1 1 1 18 16 14 o 18.7674 4.5982  0.633188     0.559901  0.751455     0.534359  18.9022     174.558     5.97495     174.558     
1 1 1 18 16 15 o 21.1747 4.32615 0.428151     0.552535  1.39908      0.540313  22.0364     89.7766     3.73519     89.7766     
1 1 1 18 16 16 o 32.9872 4.05149 2.21199      0.685259  2.27222      0.648995  35.199      215.347     1.62004     215.346     
1 1 1 18 16 17 o 18.6341 4.54648 0.883329     0.54446   0.489552     0.541851  18.7382     269.698     8.04259     269.698     
1 1 1 18 16 18 o 37.5431 3.83642 2.44991      0.728633  3.32417      0.697488  41.3613     321.51      4.01916     321.51      
1 1 1 18 16 19 o 32.0436 4.27632 2.36934      0.713322  1.97305      0.655834  34.0084     256.163     1.89338     256.163     
1 1 1 18 16 20 o 19.3408 4.44206 0.276712     0.570474  1.18904      0.548536  14.4961     318.719     8.18422     138.719     
1 1 1 18 16 21 o 12.4408 3.83651 -0.512672    0.494412  0.286438     0.49766   1.4014      176.315     19.1239     356.315     
1 1 1 18 16 22 o 28.1538 4.6528  2.32456      0.712928  1.23547      0.646461  20.6447     268.181     16.4208     88.1809     
1 1 1 18 16 23 f 16.8019 4.67708 0.714034     0.636355  0.248599     0.576138  19.0281     249.523     0           0           
1 1 1 18 16 24 o 13.6396 4.16789 -0.114675    0.589825  0.250073     0.511939  9.31637     266.767     0.390413    266.767     
1 1 1 18 16 25 o 19.3825 4.79659 0.811723     0.629133  0.860973     0.563185  17.6363     135.025     1.16321     315.025     
1 1 1 18 16 26 o 17.0751 4.71359 0.367306     0.625585  0.739716     0.601382  9.22765     76.213      14.0669     256.213     
1 1 1 18 16 27 o 11.5548 3.75729 0.0201199    0.529958  -0.515537    0.522086  6.13876     92.6275     4.53983     272.627     
1 1 1 18 16 28 o 17.6454 4.77952 0.98731      0.627515  0.284479     0.659275  8.41182     122.135     17.1968     302.135     
1 1 1 18 16 29 o 35.6733 4.91845 3.27213      0.90182   2.91526      0.852238  44.183      341.917     16.5395     341.917     
1 1 1 18 16 30 o 15.3829 4.59715 0.0273926    0.676199  0.639944     0.630564  13.2095     359.094     3.74953     359.094     
1 1 1 18 16 31 o 14.4844 4.34983 0.231937     0.592058  0.396648     0.552224  10.7901     78.4629     0.918411    258.463     
1 1 1 18 16 32 o 12.8931 4.09276 0.162293     0.583915  -0.0377343   0.554668  6.78917     122.254     0.0862094   122.254     
1 1 1 18 16 33 o 21.7026 5.0514  1.10766      0.66722   1.51748      0.666394  21.6125     144.826     3.46675     144.826     
1 1 1 18 16 34 o 11.2864 3.75455 0.0172274    0.593117  -0.543836    0.536935  3.66659     81.9231     9.70135     261.923     
1 1 1 18 16 35 o 16.4595 4.72235 0.680115     0.642362  0.700928     0.615559  13.9932     178.535     0.991041    178.535     
1 1 1 18 16 36 o 13.479  4.25152 0.489109     0.637957  -0.0671068   0.580667  8.11623     244.146     0.661261    64.1461     
1 1 1 18 16 37 o 11.1548 3.7479  -0.449217    0.599989  -0.132009    0.58364   3.32451     258.227     4.27583     78.2275     
1 1 1 18 16 38 o 15.3951 4.60415 0.733258     0.643704  0.419223     0.630432  10.0146     251.158     1.62723     251.158     
1 1 1 18 16 39 o 11.822  3.91978 0.193077     0.637002  -0.433842    0.578806  2.74022     266.296     0.743913    86.2962     
1 1 1 18 16 40 o 18.15   5.0612  1.46582      0.750719  0.735079     0.677632  14.7139     218.993     1.00763     38.9929     
1 1 1 18 16 41 o 11.2725 3.79474 -0.607967    0.661342  0.0435331    0.589777  4.77572     88.082      3.18552     268.082     
1 1 1 18 16 42 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 17 0  o 53.9363 3.22358 5.58049      0.885885  5.58049      0.885885  57.8965     180         2.29559     8.65127e-06 
1 1 1 18 17 1  o 35.9622 3.88875 2.81668      0.696949  2.38158      0.701937  57.3777     152.054     43.0735     152.054     
1 1 1 18 17 2  o 63.5034 3.10391 7.99506      1.01681   7.57589      1.01352   62.0688     16.2203     13.6795     196.22      
1 1 1 18 17 3  o 30.3744 4.38314 1.29067      0.606958  2.62648      0.738587  25.5255     121.836     12.7299     301.836     
1 1 1 18 17 4  o 33.3734 4.65262 2.71324      0.786164  1.96251      0.765236  30.7026     64.2262     8.93339     244.226     
1 1 1 18 17 5  o 18.6944 4.90325 0.656555     0.637773  0.608388     0.626298  8.50081     100.327     19.9238     280.327     
1 1 1 18 17 6  o 11.3199 3.61494 -0.539391    0.525301  0.00800455   0.416066  3.52572     203.529     3.72429     23.5292     
1 1 1 18 17 7  o 15.15   4.11856 0.60185      0.496501  0.0160166    0.456178  9.59823     162.447     7.30766     342.447     
1 1 1 18 17 8  o 31.7053 4.35199 1.82886      0.642886  2.35987      0.737813  23.6859     338.175     19.4246     158.175     
1 1 1 18 17 9  o 40.4598 3.83272 3.02375      0.73006   3.57367      0.838392  42.927      137.027     0.0645729   317.025     
1 1 1 18 17 10 o 21.3481 4.67878 1.27724      0.57103   0.577218     0.636183  5.87213     73.2636     31.9255     253.264     
1 1 1 18 17 11 o 12.0571 3.67947 -0.477356    0.441399  0.276571     0.456237  2.19807     38.9623     15.971      218.962     
1 1 1 18 17 12 o 14.0719 3.81814 -0.939234    0.534327  0.718231     0.47979   7.96592     243.629     1.53982     243.629     
1 1 1 18 17 13 o 60.097  3.14399 7.75768      0.959695  6.39981      0.974971  59.6036     100.378     9.6776      280.378     
1 1 1 18 17 14 o 31.085  4.316   1.70129      0.658138  2.38634      0.682147  21.1468     109.866     22.6891     289.866     
1 1 1 18 17 15 o 16.0509 4.30126 0.127071     0.550416  0.645122     0.484088  13.2961     147.245     2.14072     147.245     
1 1 1 18 17 16 f 19.4189 4.22342 -0.0798841   0.613954  1.34947      0.533363  27.0835     60.6284     0           0           
1 1 1 18 17 17 o 37.0289 4.36795 2.81718      0.89781   2.98204      0.695989  21.8741     209.117     34.112      29.1175     
1 1 1 18 17 18 o 9.87274 3.32613 -0.965757    0.564805  -0.274726    0.413179  2.82952     230.812     21.6124     230.812     
1 1 1 18 17 19 o 14.497  4.28759 0.49603      0.61576   -0.0927465   0.477718  5.97294     141.536     2.20344     141.536     
1 1 1 18 17 20 o 17.2717 4.63488 0.407965     0.643986  0.66775      0.524025  6.58491     19.4337     4.15551     19.4337     
1 1 1 18 17 21 o 19.2388 4.66125 0.948145     0.576409  0.655248     0.551497  19.1351     349.049     3.30402     349.049     
1 1 1 18 17 22 o 19.5327 4.72806 0.630107     0.629396  1.0185       0.555795  18.2482     308.961     0.052631    128.962     
1 1 1 18 17 23 o 40.7464 4.00613 3.77448      0.85065   3.33832      0.796003  52.2668     328.959     20.7144     328.959     
1 1 1 18 17 24 o 26.2452 4.62764 1.85889      0.642655  1.33966      0.621653  31.8067     86.4956     12.3875     86.4956     
1 1 1 18 17 25 o 36.3562 4.05569 2.27442      0.723946  3.56249      0.720218  44.8226     237.736     15.6336     237.736     
1 1 1 18 17 26 o 12.7422 3.97926 0.125175     0.530071  -0.0291469   0.501697  8.20778     77.9254     3.99904     257.925     
1 1 1 18 17 27 o 14.4667 4.26926 0.683178     0.597168  -0.205469    0.528731  4.96141     275.899     17.0302     95.8991     
1 1 1 18 17 28 o 14.0245 4.28244 -0.0780524   0.594766  0.433016     0.572648  10.6362     189.962     2.16249     189.962     
1 1 1 18 17 29 o 13.8069 4.39922 0.208541     0.675239  -0.0626225   0.656352  7.14635     52.2173     9.1558      232.217     
1 1 1 18 17 30 o 20.8491 5.42376 1.18657      0.820614  1.30103      0.732029  16.6759     25.626      5.44569     205.626     
1 1 1 18 17 31 o 13.3754 4.14472 0.568187     0.608715  -0.342437    0.535888  4.28699     69.2578     1.3424      69.2578     
1 1 1 18 17 32 o 10.7598 3.58826 -0.229005    0.543176  -0.318964    0.495812  3.91976     74.8391     3.23932     254.839     
1 1 1 18 17 33 o 14.0952 4.31669 0.473272     0.596454  0.162269     0.572448  10.1269     128.315     0.0405946   128.316     
1 1 1 18 17 34 o 12.247  3.90023 0.500079     0.578364  -0.635986    0.528159  1.88711     79.0508     0.288945    79.0508     
1 1 1 18 17 35 f 30.9904 4.88586 3.28537      0.801767  2.03258      0.746786  29.9289     14.6421     0           0           
1 1 1 18 17 36 f 12.5412 3.98127 -0.745535    0.593666  0.578398     0.586691  6.10309     57.0018     0           0           
1 1 1 18 17 37 o 17.2242 4.28328 -0.666537    0.635141  1.67912      0.64497   13.9197     9.19216     6.24121     9.19216     
1 1 1 18 17 38 o 13.2283 4.16869 0.655986     0.630889  -0.269447    0.565833  6.61147     68.5337     0.0548636   248.534     
1 1 1 18 17 39 f 14.8778 4.50834 0.746743     0.647293  0.39058      0.59922   0.85152     151.399     0           0           
1 1 1 18 17 40 o 14.917  4.60188 0.656875     0.693813  0.492275     0.646743  6.57035     11.8675     3.29467     11.8675     
1 1 1 18 17 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 18 0  o 22.3671 5.26909 1.23766      0.544026  1.23766      0.544026  16.0453     180         12.9035     180         
1 1 1 18 18 1  o 7.42448 3.58636 -0.440785    0.295154  -1.19466     0.246981  4.65734     64.5954     17.1638     64.5954     
1 1 1 18 18 2  o 15.098  3.89421 0.736031     0.455604  -0.148798    0.438947  10.922      274.223     3.20468     94.2228     
1 1 1 18 18 3  o 55.2579 3.01257 5.77918      0.858801  6.08769      0.85295   63.159      38.5631     8.05359     38.563      
1 1 1 18 18 4  o 19.9797 4.67007 0.942678     0.533782  0.683276     0.608503  21.3977     282.356     8.24672     282.356     
1 1 1 18 18 5  o 15.3785 4.38404 0.444255     0.569741  0.162221     0.511296  11.6189     288.867     0.0523645   288.867     
1 1 1 18 18 6  o 24.4677 4.65485 2.01361      0.728473  0.652392     0.545405  27.4279     310.657     7.0667      310.657     
1 1 1 18 18 7  f 16.5084 4.30236 0.689759     0.516897  0.266319     0.473394  21.7985     172.303     0           0           
1 1 1 18 18 8  o 20.5866 4.65533 1.07392      0.573     0.706325     0.563605  22.9433     296.76      11.4225     296.76      
1 1 1 18 18 9  o 23.7429 4.67073 0.737965     0.621883  1.6954       0.632662  22.7977     117.038     1.37023     297.038     
1 1 1 18 18 10 o 19.414  4.63772 0.416269     0.592297  1.07263      0.571705  20.036      355.827     10.268      355.827     
1 1 1 18 18 11 o 60.953  3.27515 8.05585      1.0306    6.64706      1.01619   78.0051     196.505     26.4627     196.505     
1 1 1 18 18 12 o 18.8135 4.58245 1.07552      0.589538  0.3116       0.553419  12.2175     271.249     7.97472     271.249     
1 1 1 18 18 13 o 18.5997 4.6087  0.220098     0.590488  1.07202      0.590498  10.9207     193.261     13.9803     13.2607     
1 1 1 18 18 14 o 10.4662 3.44917 -0.0644169   0.483677  -0.787518    0.456759  1.52596     162.455     11.4313     342.455     
1 1 1 18 18 15 o 15.2531 4.44867 0.343066     0.573335  0.217425     0.567078  3.27268     13.3105     22.2137     193.311     
1 1 1 18 18 16 o 37.3402 4.11287 2.9258       0.762251  2.93676      0.777961  38.3631     347.702     0.719522    167.702     
1 1 1 18 18 17 o 33.9676 4.43408 2.33549      0.756924  2.66459      0.74507   45.2394     298.719     21.9673     298.719     
1 1 1 18 18 18 o 11.6549 3.75751 0.025759     0.515366  -0.504709    0.510081  4.31108     84.4043     0.839703    264.404     
1 1 1 18 18 19 o 15.5019 4.40663 0.590068     0.599998  0.16575      0.490784  12.4453     298.742     4.84966     298.742     
1 1 1 18 18 20 o 17.0433 4.63381 0.810889     0.621061  0.295618     0.551357  15.2614     163.154     8.21907     163.154     
1 1 1 18 18 21 o 25.9007 4.64063 2.08382      0.639213  1.03819      0.666246  25.6488     167.59      0.208008    347.59      
1 1 1 18 18 22 o 19.0129 4.87555 0.823951     0.633313  0.817597     0.605591  17.7606     93.6389     0.370349    93.6389     
1 1 1 18 18 23 o 9.94208 3.37642 -0.482665    0.523462  -0.611503    0.484903  3.51764     89.6268     5.48577     269.627     
1 1 1 18 18 24 o 21.6071 4.51511 1.80776      0.612502  0.264616     0.691069  22.4682     216.359     3.6627      216.359     
1 1 1 18 18 25 o 11.6453 3.55074 -1.10545     0.462792  0.492046     0.473056  4.39592     280.911     0.92053     280.911     
1 1 1 18 18 26 o 12.1203 3.88056 -0.0125752   0.541998  -0.0884625   0.505203  7.04521     115.377     2.83016     295.377     
1 1 1 18 18 27 o 9.29724 3.17155 -0.938875    0.481853  -0.273418    0.455357  1.82095     338.124     6.05985     158.124     
1 1 1 18 18 28 o 13.9646 4.19343 0.649512     0.579496  -0.258747    0.54527   9.55443     149.623     1.04679     329.623     
1 1 1 18 18 29 o 20.1208 5.53088 1.34842      0.861881  1.05622      0.794032  18.8162     351.884     2.12632     351.884     
1 1 1 18 18 30 o 11.0363 3.73176 0.16076      0.669295  -0.95853     0.483097  2.04477     287.61      0.466176    107.61      
1 1 1 18 18 31 o 19.0862 4.86369 1.54966      0.675747  0.357829     0.70044   17.864      311.071     2.20571     311.071     
1 1 1 18 18 32 o 13.8382 4.3034  0.468229     0.577853  0.00255532   0.650175  3.46726     1.32586     17.3454     181.326     
1 1 1 18 18 33 f 24.4115 5.2057  1.64554      0.715792  1.91148      0.716396  16.5589     230.729     0           0           
1 1 1 18 18 34 o 11.3797 3.78226 -0.151127    0.588212  -0.192522    0.550792  3.41055     140.402     3.54692     320.402     
1 1 1 18 18 35 o 20.8241 5.17629 1.74905      0.730424  0.98732      0.70025   19.8753     158.157     4.87442     158.157     
1 1 1 18 18 36 o 11.0003 3.68676 -0.102793    0.58693   -0.350096    0.534636  3.06029     82.7805     6.8532      262.781     
1 1 1 18 18 37 o 20.9777 5.75432 1.73619      0.835423  1.73809      0.973454  18.1027     262.894     0.249613    82.8937     
1 1 1 18 18 38 o 13.9754 4.43796 0.398958     0.685879  0.361495     0.652722  9.25095     198.049     0.402345    198.049     
1 1 1 18 18 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 19 0  o 15.7642 5.23739 0.720061     0.480666  0.720061     0.480666  14.8828     180         5.56429     180         
1 1 1 18 19 1  o 41.3779 3.4038  3.81107      0.723132  3.04272      0.702819  53.4447     159.765     20.6193     159.765     
1 1 1 18 19 2  o 13.4936 3.72273 0.597038     0.447765  -0.368529    0.411875  0.940697    358.035     0.258882    358.035     
1 1 1 18 19 3  o 40.9706 3.57276 3.22449      0.767693  3.53754      0.709954  49.9728     104.48      14.4258     104.48      
1 1 1 18 19 4  o 25.6895 4.52596 1.29304      0.622181  1.56067      0.583844  22.2176     54.3289     7.37993     234.329     
1 1 1 18 19 5  o 47.6657 3.81102 4.34668      0.85213   4.9129       0.997919  54.5788     58.9882     8.84124     58.9882     
1 1 1 18 19 6  o 15.9001 4.1859  -0.728234    0.596618  0.956014     0.564102  6.4067      211.688     17.0554     31.688      
1 1 1 18 19 7  o 14.7596 4.26789 0.038381     0.569239  0.412551     0.495087  10.3979     334.372     0.388569    334.372     
1 1 1 18 19 8  o 49.1378 3.40957 5.55242      0.812093  4.1443       0.869915  57.5398     288.673     11.7798     288.673     
1 1 1 18 19 9  o 25.3258 4.23751 1.77036      0.572453  1.00722      0.540758  28.9023     27.5909     8.28275     27.5909     
1 1 1 18 19 10 o 40.6654 3.43277 3.89602      0.715978  2.80322      0.687656  38.4757     315.143     8.08704     135.143     
1 1 1 18 19 11 o 22.1346 4.38856 1.25908      0.546704  0.877983     0.509062  22.3837     283.753     2.26327     283.753     
1 1 1 18 19 12 f 16.8756 4.27129 0.402293     0.48696   0.695327     0.475132  15.9258     308.032     0           0           
1 1 1 18 19 13 o 16.3851 4.26233 0.372917     0.502523  0.625053     0.464243  8.71475     295.701     13.2938     115.701     
1 1 1 18 19 14 f 21.9153 4.44749 0.924596     0.545048  1.20169      0.527211  21.6891     112.207     0           0           
1 1 1 18 19 15 o 22.9045 4.32509 1.67271      0.57581   0.678834     0.528079  19.6635     201.187     5.92355     21.1871     
1 1 1 18 19 16 o 13.3049 3.92329 0.227218     0.465682  0.145652     0.433597  8.8815      40.6226     2.71499     220.623     
1 1 1 18 19 17 o 17.0799 4.28332 0.21456      0.516415  0.903513     0.50228   12.1058     145.165     7.74623     325.165     
1 1 1 18 19 18 f 18.3128 4.2346  0.266556     0.518431  1.11111      0.500825  26.9205     115.733     0           0           
1 1 1 18 19 19 o 20.025  4.5531  0.774615     0.558576  1.0595       0.528521  13.3963     45.9959     12.2214     225.996     
1 1 1 18 19 20 o 22.3483 4.53899 1.77842      0.601462  0.50226      0.65533   20.1756     234.332     3.23625     54.3321     
1 1 1 18 19 21 o 14.508  4.32001 0.284847     0.515926  0.286941     0.591436  12.1234     78.9071     1.61008     78.9071     
1 1 1 18 19 22 o 17.3831 4.93387 0.701698     0.734484  0.59813      0.621711  14.1833     338.518     9.06107     338.518     
1 1 1 18 19 23 o 15.7474 4.71164 0.782037     0.718581  -0.063562    0.651568  13.4432     221.759     1.00382     221.759     
1 1 1 18 19 24 o 13.1606 4.13572 0.264525     0.644082  -0.047907    0.473909  7.34262     120.79      1.73203     120.79      
1 1 1 18 19 25 o 18.4903 4.68219 0.560018     0.612583  1.09227      0.572424  7.80707     267.236     19.5295     87.2363     
1 1 1 18 19 26 o 14.2391 3.97364 0.92975      0.549938  -0.560357    0.47722   9.95752     236.356     1.99137     56.3557     
1 1 1 18 19 27 o 15.643  4.45308 0.812519     0.59523   0.210314     0.542295  12.2898     259.211     4.50889     259.211     
1 1 1 18 19 28 o 18.2432 4.24397 -0.291735    0.596958  1.61596      0.606997  14.18       39.2982     4.7781      219.298     
1 1 1 18 19 29 o 16.187  4.6877  1.05694      0.700326  0.155413     0.593446  10.1327     141.886     5.60405     141.886     
1 1 1 18 19 30 o 16.9833 4.64702 0.294377     0.691267  1.07382      0.583048  15.1772     49.0715     3.37004     49.0716     
1 1 1 18 19 31 o 10.8924 3.59405 0.231487     0.547189  -0.718482    0.469103  2.42224     345.241     10.4169     165.241     
1 1 1 18 19 32 f 17.172  4.77159 0.836071     0.662817  0.817816     0.583535  6.26658     310.379     0           0           
1 1 1 18 19 33 f 19.2394 4.99978 1.46555      0.689867  0.782006     0.657665  18.7193     280.582     0           0           
1 1 1 18 19 34 o 13.6915 4.30608 0.352198     0.62216   0.237211     0.606704  7.19958     208.43      0.235208    28.4298     
1 1 1 18 19 35 o 14.8166 4.42848 1.00273      0.656592  -0.0495927   0.5755    9.03867     152.278     2.69768     152.278     
1 1 1 18 19 36 o 12.3837 4.02176 0.192419     0.608     0.0157402    0.569436  5.87279     357.653     0.532338    177.653     
1 1 1 18 19 37 o 10.281  3.46821 0.311309     0.565898  -1.29705     0.478968  2.75127     337.045     1.50659     157.045     
1 1 1 18 19 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 20 0  o 7.48293 3.55595 -0.12486     0.391222  -0.12486     0.391222  0.166756    0.000213587 1.36839     0.000213587 
1 1 1 18 20 1  o 18.0738 4.17247 1.06625      0.50683   0.221435     0.471479  12.0343     281.209     10.2738     101.209     
1 1 1 18 20 2  o 21.6832 4.38743 1.41844      0.558138  0.625892     0.526788  21.34       350.191     1.18005     350.191     
1 1 1 18 20 3  o 14.8142 3.71495 -0.463763    0.443484  0.851473     0.454026  10.1285     123.012     5.18408     303.012     
1 1 1 18 20 4  o 36.5281 3.81851 2.45421      0.670954  3.08528      0.729738  40.2532     317.103     5.23935     317.103     
1 1 1 18 20 5  o 14.2429 3.68567 0.728085     0.42875   -0.317003    0.417023  10.3417     85.9599     1.83701     85.9599     
1 1 1 18 20 6  o 36.6949 3.84015 2.59561      0.672485  3.01066      0.744985  45.0437     298.843     14.9118     298.843     
1 1 1 18 20 7  o 40.8255 3.88845 3.58841      0.815701  3.36052      0.78825   40.5664     127.019     3.62573     307.019     
1 1 1 18 20 8  o 26.6197 4.39641 2.07977      0.668218  1.09873      0.541082  25.8665     300.002     1.53778     120.002     
1 1 1 18 20 9  o 19.6379 4.28852 1.16514      0.514672  0.496227     0.492509  15.4788     348.376     6.77212     168.376     
1 1 1 18 20 10 o 7.68529 2.5739  -1.1138      0.318228  -0.0403807   0.291136  6.01107     348.032     23.8181     348.032     
1 1 1 18 20 11 o 38.0171 3.4921  2.93083      0.678795  3.0182       0.664405  50.1338     272.749     22.6429     272.749     
1 1 1 18 20 12 o 12.3421 3.37009 -0.665967    0.393928  0.573931     0.382643  6.53165     87.3945     7.12914     267.395     
1 1 1 18 20 13 o 27.0278 4.05288 1.49323      0.55918   1.69046      0.541295  29.5174     237.975     5.24038     237.975     
1 1 1 18 20 14 o 13.9875 3.91512 0.140173     0.448274  0.436321     0.413873  10.7705     183.94      0.473047    3.93987     
1 1 1 18 20 15 o 18.7245 3.8582  -0.0046753   0.502555  1.35258      0.478588  21.48       193.638     11.8862     193.638     
1 1 1 18 20 16 o 10.412  3.34819 -0.0851411   0.418958  -0.173996    0.369556  4.09533     65.5422     1.91964     245.542     
1 1 1 18 20 17 o 11.7545 3.62881 0.131725     0.451357  -0.0351516   0.382078  5.96004     128.442     6.85936     308.442     
1 1 1 18 20 18 o 15.9351 4.17974 0.810192     0.508778  0.216292     0.445036  15.285      42.163      4.29588     42.163      
1 1 1 18 20 19 o 9.69582 3.17615 -0.550195    0.417697  -0.0269841   0.371578  3.32213     315.571     5.60897     135.571     
1 1 1 18 20 20 o 20.9584 4.20344 0.386907     0.557133  1.62857      0.538743  20.6402     328.666     1.63248     328.666     
1 1 1 18 20 21 o 9.97346 3.2555  0.122817     0.441555  -0.629438    0.360271  3.03113     23.5241     2.90061     203.524     
1 1 1 18 20 22 o 12.3637 3.83354 -0.0167412   0.506482  0.173625     0.443934  5.22471     216.082     9.51801     36.0815     
1 1 1 18 20 23 o 12.0176 3.74319 0.378407     0.511514  -0.328942    0.420943  5.22683     294.324     0.616767    114.324     
1 1 1 18 20 24 o 15.4194 4.19609 0.0885608    0.534319  0.807433     0.492774  11.0187     262.289     3.83417     82.2891     
1 1 1 18 20 25 o 26.8756 5.11885 1.32935      0.670013  2.73093      0.832504  27.6757     139.017     4.08693     139.017     
1 1 1 18 20 26 o 15.6789 4.71762 -0.0807528   0.70039   0.936358     0.717035  7.6274      295.934     12.5584     115.934     
1 1 1 18 20 27 o 17.4588 4.84752 1.42975      0.736673  0.0331873    0.675949  16.084      183.272     7.76348     183.272     
1 1 1 18 20 28 o 15.2517 4.47045 0.131346     0.695424  0.746731     0.548359  11.3404     308.579     3.55169     308.579     
1 1 1 18 20 29 o 16.604  4.61202 1.28727      0.683203  0.11249      0.552229  13.3127     83.1987     5.01955     83.1987     
1 1 1 18 20 30 o 13.4176 4.0717  0.689563     0.566137  -0.24329     0.510549  6.66319     12.6359     0.550514    192.636     
1 1 1 18 20 31 o 10.185  3.4175  -0.350392    0.523962  -0.222631    0.450833  0.725634    243.73      1.46828     63.73       
1 1 1 18 20 32 o 14.5945 4.34582 0.0552036    0.603496  0.770499     0.577032  6.77583     75.4484     2.0205      75.4484     
1 1 1 18 20 33 o 10.3417 3.46233 -0.771898    0.527411  0.0595073    0.499215  1.65644     194.276     1.73034     14.2759     
1 1 1 18 20 34 o 16.9836 4.79065 1.40441      0.720288  0.370138     0.595717  14.5701     65.1772     3.73021     65.1772     
1 1 1 18 20 35 o 13.7454 4.12561 -0.606077    0.600673  0.928234     0.586863  8.21062     194.766     4.99138     14.7661     
1 1 1 18 20 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 21 0  o 16.0058 5.47816 0.779135     0.529987  0.779135     0.529987  10.9534     1.24065e-05 11.4159     180         
1 1 1 18 21 1  o 14.0049 3.93353 -0.0341773   0.440744  0.529299     0.456205  10.5709     223.003     1.84433     223.003     
1 1 1 18 21 2  o 16.1264 4.25539 0.541547     0.46864   0.457192     0.488257  12.6551     157.243     3.41234     337.243     
1 1 1 18 21 3  o 15.5316 4.10185 0.645928     0.465025  0.226901     0.447497  9.87327     79.054      8.55601     259.054     
1 1 1 18 21 4  o 28.806  3.99781 1.57131      0.578311  2.01432      0.571179  31.2702     41.1149     4.77639     41.1149     
1 1 1 18 21 5  o 12.0477 3.62877 0.0736682    0.397094  0.11432      0.39917   2.2086      145.221     16.8722     325.221     
1 1 1 18 21 6  o 11.0943 3.40314 0.16541      0.380054  -0.162325    0.358294  5.14094     123.7       4.97961     303.7       
1 1 1 18 21 7  o 18.5759 4.0177  1.2393       0.480992  0.107505     0.515647  16.6574     118.81      1.47565     298.81      
1 1 1 18 21 8  o 34.6351 4.21777 2.90567      0.744393  2.3638       0.713209  45.9998     113.18      22.5459     113.18      
1 1 1 18 21 9  o 15.3923 3.97963 0.815425     0.487616  0.0528457    0.399407  6.28165     285.394     16.4328     105.394     
1 1 1 18 21 10 o 15.1186 4.17709 0.673216     0.555758  0.165425     0.400069  13.1162     15.8594     2.05872     15.8594     
1 1 1 18 21 11 o 18.7193 4.04714 1.21441      0.486374  0.301213     0.460354  15.027      331.832     5.57719     151.832     
1 1 1 18 21 12 o 15.1377 3.91524 0.15384      0.436425  0.678256     0.415863  13.8111     253.895     3.6961      253.895     
1 1 1 18 21 13 o 16.0562 4.11164 0.556402     0.456772  0.530047     0.423852  11.8757     344.075     5.60365     164.075     
1 1 1 18 21 14 o 17.0644 3.93402 1.10842      0.479837  0.0878318    0.431399  17.0366     330.76      3.91823     330.76      
1 1 1 18 21 15 o 24.1214 4.23531 1.00584      0.552494  1.70934      0.530203  27.7987     303.183     9.31854     303.183     
1 1 1 18 21 16 o 17.6869 4.32543 0.912561     0.470346  0.466218     0.542413  12.6932     16.5347     7.62013     196.535     
1 1 1 18 21 17 o 14.8322 4.0068  0.305376     0.45771   0.544251     0.41649   9.15134     291.005     7.96599     111.005     
1 1 1 18 21 18 o 11.2844 3.48454 0.139679     0.413075  -0.0283645   0.356749  4.8247      93.0028     6.69377     273.003     
1 1 1 18 21 19 o 13.3962 3.71365 -0.158129    0.436448  0.594695     0.405425  9.09531     88.1467     0.900492    268.147     
1 1 1 18 21 20 f 11.2946 3.48933 0.244017     0.422448  -0.146313    0.360665  16.1096     341.321     0           0           
1 1 1 18 21 21 o 12.7673 3.74659 -0.114894    0.454787  0.448872     0.414341  6.67977     290.74      0.480325    290.74      
1 1 1 18 21 22 o 15.3061 4.18833 0.697673     0.514002  0.34497      0.437873  10.3248     281.36      5.3181      101.36      
1 1 1 18 21 23 o 15.169  4.3091  0.565944     0.531035  0.428248     0.505236  9.96849     296.092     5.70837     116.092     
1 1 1 18 21 24 o 14.5125 4.14545 0.320584     0.508504  0.53155      0.467782  10.5761     22.2831     3.21261     22.2831     
1 1 1 18 21 25 o 16.0244 4.21661 0.24393      0.524182  0.912211     0.487138  12.4707     345.753     1.88717     165.753     
1 1 1 18 21 26 o 13.4394 4.03512 0.238187     0.51053   0.370894     0.473782  8.00981     36.4069     0.11618     216.407     
1 1 1 18 21 27 o 14.8204 4.26566 0.656669     0.539071  0.327715     0.498266  9.67139     341.149     1.832       341.149     
1 1 1 18 21 28 o 19.7068 4.84005 1.28995      0.595753  0.966122     0.635557  18.3461     347.19      4.65619     347.19      
1 1 1 18 21 29 o 16.6619 4.9597  0.872568     0.667043  0.616707     0.830738  7.05063     164.05      3.42635     164.05      
1 1 1 18 21 30 o 13.5184 4.40208 0.193767     0.739838  0.128482     0.684203  6.21245     350.093     0.0848016   350.093     
1 1 1 18 21 31 o 17.4669 5.1087  1.51849      0.821486  0.39196      0.750333  11.6689     33.2969     6.29965     33.2969     
1 1 1 18 21 32 o 13.4022 4.21826 0.313454     0.615528  0.296999     0.565914  6.87879     148.94      6.70345     328.94      
1 1 1 18 21 33 o 10.269  3.41887 0.256494     0.513426  -0.962207    0.460936  2.88764     234.298     1.93982     54.2983     
1 1 1 18 21 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 22 0  o 13.0504 5.0746  0.525722     0.495687  0.525722     0.495687  11.5755     360         1.48592     360         
1 1 1 18 22 1  o 19.6093 4.36963 0.571894     0.511843  1.17656      0.521344  22.1539     217.053     9.58808     217.053     
1 1 1 18 22 2  o 20.5893 4.42275 1.12138      0.511973  0.840146     0.525977  21.9462     249.924     5.58902     249.924     
1 1 1 18 22 3  o 20.0105 4.24484 0.507378     0.513737  1.2965       0.506377  17.5054     158.615     3.18414     338.615     
1 1 1 18 22 4  o 18.694  4.34629 0.73385      0.494467  0.858275     0.483063  14.7216     282.949     5.94368     102.949     
1 1 1 18 22 5  o 35.993  3.66261 2.18734      0.645589  3.40399      0.648596  47.9234     122.105     23.6419     122.105     
1 1 1 18 22 6  o 23.4953 4.221   1.15972      0.518803  1.37543      0.514156  23.5562     331.222     1.41551     331.222     
1 1 1 18 22 7  o 12.9744 3.74887 0.189881     0.407921  0.277299     0.393186  9.32456     84.615      1.59465     264.615     
1 1 1 18 22 8  o 15.5416 4.06709 0.865179     0.501355  0.0203625    0.445235  13.7192     232.255     0.78429     232.255     
1 1 1 18 22 9  o 26.2949 4.22554 1.81697      0.616296  1.37546      0.511412  31.6148     54.1704     12.3493     54.1704     
1 1 1 18 22 10 o 19.9393 4.12308 1.29096      0.490715  0.546072     0.468031  17.889      9.86771     1.93691     189.868     
1 1 1 18 22 11 o 13.1199 3.68912 0.435369     0.395348  0.0969701    0.372943  8.26603     298.727     4.98503     118.727     
1 1 1 18 22 12 o 15.5585 3.91952 0.656796     0.417629  0.379076     0.388328  9.86565     339.014     8.36437     159.014     
1 1 1 18 22 13 o 12.9881 3.59803 0.0957944    0.377507  0.432107     0.354182  7.8933      273.668     4.92864     93.6677     
1 1 1 18 22 14 o 19.1022 4.02097 1.01473      0.446322  0.692502     0.417692  13.7725     232.167     8.33809     52.1673     
1 1 1 18 22 15 f 8.85121 2.8027  0.0775983    0.295114  -0.203213    0.23771   5.9861      5.62442     0           0           
1 1 1 18 22 16 f 7.21776 2.4044  0.0613257    0.273597  -0.456809    0.16394   11.7659     3.6945      0           0           
1 1 1 18 22 17 o 19.6938 3.99154 1.16889      0.455243  0.682458     0.420469  15.1459     266.319     6.34612     86.3193     
1 1 1 18 22 18 o 15.4046 3.88839 0.566305     0.415201  0.506133     0.369108  12.3633     236.644     0.0114293   236.641     
1 1 1 18 22 19 o 12.5299 3.52612 0.440734     0.381294  0.102468     0.315703  5.3831      329.734     9.5246      149.734     
1 1 1 18 22 20 o 11.6661 3.43769 0.273939     0.367956  0.0930505    0.323583  4.99278     242.84      0.394873    62.8404     
1 1 1 18 22 21 o 8.39831 2.67641 -0.541831    0.303875  0.10374      0.250622  0.747869    341.043     4.9027      161.043     
1 1 1 18 22 22 o 11.7591 3.46651 -0.096755    0.402158  0.360505     0.346995  3.12185     300.698     0.246778    300.698     
1 1 1 18 22 23 o 16.5292 4.27836 0.728597     0.509645  0.658914     0.447877  12.1569     79.1612     3.63513     259.161     
1 1 1 18 22 24 o 13.7177 3.88038 0.625291     0.456021  0.114283     0.407198  8.32078     269.988     1.86327     89.9876     
1 1 1 18 22 25 o 10.4214 3.26558 -0.373463    0.396429  0.236085     0.356963  2.10913     234.876     5.92788     54.8762     
1 1 1 18 22 26 o 10.379  3.08515 -1.107       0.392217  0.453818     0.350142  1.1615      138.85      1.76789     318.85      
1 1 1 18 22 27 o 13.7246 3.98309 0.200253     0.487234  0.527875     0.444612  2.61975     290.95      0.693222    290.95      
1 1 1 18 22 28 o 14.8536 4.24423 0.314011     0.51384   0.723602     0.518672  9.11572     350.634     4.85408     170.634     
1 1 1 18 22 29 o 14.5939 4.25529 0.86609      0.572627  0.0980237    0.51338   9.1786      243.793     4.10506     63.7927     
1 1 1 18 22 30 o 13.3324 4.04486 0.0681344    0.541897  0.538401     0.496974  7.58693     199.712     1.135       199.712     
1 1 1 18 22 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 22 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 23 0  o 10.124  4.33974 0.252181     0.421605  0.252181     0.421605  3.28416     180         1.57967     360         
1 1 1 18 23 1  o 21.9718 4.33214 1.43807      0.532714  0.86734      0.515221  25.651      281.677     11.5291     281.677     
1 1 1 18 23 2  o 19.5049 4.28198 0.434859     0.518252  1.3287       0.52459   19.1702     250.798     2.90219     250.798     
1 1 1 18 23 3  o 18.563  4.3041  1.04431      0.493918  0.561735     0.493409  19.814      282.048     10.681      282.048     
1 1 1 18 23 4  o 17.2258 4.17438 0.486458     0.462732  0.853863     0.45761   11.1815     101.506     9.39375     281.506     
1 1 1 18 23 5  o 23.7646 4.26343 1.2785       0.529768  1.38485      0.522952  21.4242     95.5087     2.91394     275.509     
1 1 1 18 23 6  o 24.5535 4.3071  1.13124      0.555392  1.74687      0.554022  25.4983     195.422     4.14373     195.422     
1 1 1 18 23 7  o 25.8327 3.95278 1.64724      0.526147  1.40179      0.50241   34.1597     286.397     21.1168     286.397     
1 1 1 18 23 8  o 20.5645 4.33802 0.949309     0.484639  1.09711      0.510945  14.675      102.926     9.56853     282.926     
1 1 1 18 23 9  o 16.6677 4.05821 0.353546     0.474329  0.862329     0.428993  14.6083     234.584     1.40608     234.584     
1 1 1 18 23 10 o 20.0222 4.38796 1.04948      0.488079  0.916472     0.522095  12.5996     77.9657     12.5169     257.966     
1 1 1 18 23 11 o 19.9087 5.08305 0.827485     0.529665  1.35201      0.815552  20.744      121.432     10.2724     121.432     
1 1 1 18 23 12 o 26.5342 5.49164 2.64804      0.850261  1.39786      0.85342   29.3284     341.544     9.12964     341.544     
1 1 1 18 23 13 o 12.2734 4.05246 0.0136457    0.629272  -0.485036    0.661229  6.15515     348.991     2.43308     168.991     
1 1 1 18 23 14 o 16.8019 5.04932 0.880758     0.766363  0.350819     0.798748  12.9155     185.092     2.29141     5.09151     
1 1 1 18 23 15 o 14.7345 4.49786 0.968007     0.719055  -0.879901    0.711618  8.08676     104.292     3.31959     104.292     
1 1 1 18 23 16 o 17.0327 4.8076  1.46004      0.761812  -0.508832    0.752794  13.1134     60.6248     2.9912      240.625     
1 1 1 18 23 17 o 18.0658 5.23451 1.29073      0.79453   0.421564     0.849292  16.7644     118.847     4.60866     118.847     
1 1 1 18 23 18 o 17.0723 5.08375 0.976023     0.755858  0.491393     0.809063  10.8221     10.4641     6.23828     10.4641     
1 1 1 18 23 19 o 17.3237 5.12581 -0.0697335   0.773869  1.5492       0.880501  14.4889     75.1898     6.27072     75.1898     
1 1 1 18 23 20 f 22.1968 5.81502 1.009        0.926859  2.41571      0.967729  19.527      115.32      0           0           
1 1 1 18 23 21 o 15.3378 4.81347 0.206456     0.745523  0.714387     0.790368  10.2596     159.459     1.05902     159.459     
1 1 1 18 23 22 o 18.1559 5.41237 1.34427      0.89046   0.741864     0.871944  11.027      34.2071     5.79277     34.2071     
1 1 1 18 23 23 o 16.5781 5.19445 1.16165      0.910912  0.183793     0.91274   7.1066      23.9571     3.11163     23.9571     
1 1 1 18 23 24 o 16.8908 5.1315  0.513652     0.802275  1.095        0.832502  10.0358     67.0903     4.50164     67.0903     
1 1 1 18 23 25 o 17.8515 4.71399 0.915749     0.443324  0.882677     0.868231  15.2576     320.838     2.56028     320.838     
1 1 1 18 23 26 o 12.5232 3.61205 0.201581     0.36466   0.397441     0.380678  6.4028      135.262     3.5993      315.262     
1 1 1 18 23 27 o 12.2691 3.60906 0.36434      0.409794  0.194811     0.347793  6.29789     210.019     1.31308     30.0193     
1 1 1 18 23 28 o 16.3692 3.69408 -0.126241    0.453021  1.26939      0.455643  14.8551     292.199     6.76038     292.199     
1 1 1 18 23 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 24 0  o 42.0529 3.30619 3.61467      0.697929  3.61467      0.697929  62.2168     180         38.9383     180         
1 1 1 18 24 1  f 11.6333 3.55158 -0.0618022   0.390777  0.243424     0.403176  9.67585     299.987     0           0           
1 1 1 18 24 2  f 15.5648 4.09647 0.345165     0.456416  0.705949     0.450143  9.08974     6.58975     0           0           
1 1 1 18 24 3  o 23.8479 4.31542 1.68532      0.564372  1.11057      0.519296  27.9941     146.4       12.8001     146.4       
1 1 1 18 24 4  o 19.9769 4.38591 1.24998      0.527541  0.746377     0.498126  17.4652     256.896     1.38621     76.8957     
1 1 1 18 24 5  o 16.6554 4.1109  0.659282     0.454683  0.651699     0.418774  13.2213     231.793     2.11331     51.7935     
1 1 1 18 24 6  o 7.33986 3.2878  -0.0488521   0.182399  -0.625147    0.122475  2.64491     297.615     12.5175     297.615     
1 1 1 18 24 7  o 16.4668 4.90644 0.701063     0.686487  0.478613     0.755598  13.8304     322.074     4.14972     322.074     
1 1 1 18 24 8  o 15.2869 4.54725 0.92702      0.668304  -0.364199    0.686945  9.70079     198.481     4.2181      198.481     
1 1 1 18 24 9  o 14.8401 4.84591 0.0639383    0.644041  0.384417     1.071     10.4021     255.027     1.42706     75.0272     
1 1 1 18 24 10 o 18.9046 5.84223 1.46601      1.09599   0.652664     1.11201   17.7485     334.825     6.26204     334.825     
1 1 1 18 24 11 o 15.3119 4.94586 0.0275049    1.06073   0.430413     0.748291  6.0299      10.8288     2.95814     10.8288     
1 1 1 18 24 12 o 13.3727 4.34528 0.0300543    0.663792  0.0499493    0.713784  7.13466     321.335     1.47134     321.335     
1 1 1 18 24 13 o 15.176  4.74341 0.435364     0.699439  0.368897     0.772035  11.192      298.029     2.85317     298.029     
1 1 1 18 24 14 o 14.8255 4.69938 0.368551     0.726163  0.302729     0.769262  10.3384     100.239     0.814195    280.239     
1 1 1 18 24 15 o 13.1633 4.31789 -0.357091    0.693559  0.291785     0.727527  3.79825     276.587     0.680686    276.587     
1 1 1 18 24 16 o 15.4764 4.82949 0.854277     0.756195  -0.114063    0.84855   10.6852     152.449     1.96247     152.449     
1 1 1 18 24 17 o 20.1242 5.64757 1.87783      0.908301  0.810786     0.953795  14.227      67.166      6.92388     247.166     
1 1 1 18 24 18 o 16.4145 5.15565 0.343093     0.828633  1.01352      0.930454  11.0097     154.685     3.069       334.685     
1 1 1 18 24 19 o 15.5193 4.85623 0.574902     0.756785  0.469007     0.78865   9.54814     198.411     1.24142     198.411     
1 1 1 18 24 20 o 29.4557 5.45058 4.38356      1.02158   1.31652      0.986777  33.5615     101.801     13.6637     101.801     
1 1 1 18 24 21 o 26.43   5.68381 1.19964      0.911412  3.68044      1.0214    29.9553     211.112     13.8555     211.112     
1 1 1 18 24 22 o 15.1634 4.87028 0.561319     0.860513  0.38972      0.805037  4.16013     46.9312     1.71296     46.9312     
1 1 1 18 24 23 o 14.5187 4.72344 0.880548     0.847836  -0.467629    0.865105  6.53672     80.5612     2.0741      80.5612     
1 1 1 18 24 24 o 20.1084 5.65742 1.83268      0.898956  1.28347      0.890442  19.5823     124.533     10.1131     124.533     
1 1 1 18 24 25 o 12.8108 4.29459 -0.0230521   0.72827   -0.0938157   0.802619  6.01589     135.236     0.620964    135.236     
1 1 1 18 24 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 24 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 25 0  o 9.92664 4.2757  0.259183     0.413509  0.259183     0.413509  0.382946    0.000350144 0.236309    180         
1 1 1 18 25 1  f 11.9875 3.58539 0.314314     0.398064  0.0344115    0.379975  7.49551     56.7889     0           0           
1 1 1 18 25 2  o 21.6598 4.19894 1.41605      0.504968  0.938108     0.480739  21.045      246.672     2.64273     246.672     
1 1 1 18 25 3  o 8.67689 2.8745  -0.329163    0.30047   -0.0899179   0.346018  0.369202    11.8712     8.58062     191.871     
1 1 1 18 25 4  o 19.3075 5.19214 0.669423     0.702773  1.51659      0.775532  18.8942     259.754     6.42785     259.754     
1 1 1 18 25 5  o 18.6784 5.3464  1.04547      0.781203  1.04781      0.827072  17.5932     334.088     7.26315     334.088     
1 1 1 18 25 6  o 16.1201 4.85673 0.450204     0.683376  0.772759     0.744918  12.7557     74.3456     3.30961     74.3456     
1 1 1 18 25 7  o 12.6238 4.12718 -0.380549    0.569323  0.314234     0.694935  6.03379     196.57      5.63259     16.5701     
1 1 1 18 25 8  o 33.3976 5.7248  2.82697      0.954439  3.90569      1.02272   38.3819     81.649      13.7654     81.649      
1 1 1 18 25 9  o 17.9215 4.87631 1.6748       0.760055  -0.346156    0.7917    15.6781     221.203     6.82155     221.203     
1 1 1 18 25 10 o 21.2705 5.90373 1.79487      0.856052  1.39808      1.19673   21.0168     26.9721     7.78006     26.9721     
1 1 1 18 25 11 f 14.1273 4.7032  0.160667     1.04364   -0.0157075   0.716851  6.04858     87.2823     0           0           
1 1 1 18 25 12 o 21.1993 5.48077 2.10414      0.847032  0.765506     0.881823  20.1475     290.156     4.99647     290.156     
1 1 1 18 25 13 o 16.149  4.92543 -0.263318    0.691014  1.42124      0.881745  8.98866     32.4502     3.176       32.4502     
1 1 1 18 25 14 o 15.667  4.88395 -0.0578297   0.711573  1.09731      0.860858  8.34        53.7715     2.30344     53.7715     
1 1 1 18 25 15 f 16.6489 5.07475 1.14116      0.802767  0.145184     0.885067  9.30469     27.7653     0           0           
1 1 1 18 25 16 o 14.4676 4.68456 0.171326     0.779693  0.372447     0.803441  6.41463     190.133     1.2163      190.133     
1 1 1 18 25 17 o 15.2252 4.8041  -0.0535422   0.75272   0.938694     0.823079  4.04694     20.4271     1.63401     20.4271     
1 1 1 18 25 18 o 13.9298 4.54065 -0.291668    0.713364  0.650117     0.816934  7.88826     224.516     0.681823    44.5162     
1 1 1 18 25 19 o 13.5656 4.37283 -1.08547     0.723297  0.912024     0.761532  6.60825     136.926     0.769747    136.926     
1 1 1 18 25 20 o 20.5289 5.68507 2.01158      0.894473  1.20204      0.935606  20.172      263.315     7.99036     263.315     
1 1 1 18 25 21 o 16.7658 5.04282 -0.123568    0.788192  1.64291      0.873699  12.6591     158.385     1.51411     338.385     
1 1 1 18 25 22 f 13.9315 4.58638 -0.409912    0.822697  0.66865      0.829528  7.03538     170.108     0           0           
1 1 1 18 25 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 26 0  o 37.1515 3.45356 2.91936      0.633192  2.91936      0.633192  52.5305     8.24603e-06 31.4585     8.24604e-06 
1 1 1 18 26 1  o 12.513  3.7064  0.16015      0.373718  0.351595     0.434252  4.63137     235.814     1.6085      55.8139     
1 1 1 18 26 2  o 20.4235 5.14495 0.77961      0.676311  1.77136      0.754663  19.3081     306.811     6.19503     306.811     
1 1 1 18 26 3  f 16.1048 4.82408 0.557141     0.663861  0.744086     0.728886  14.6196     256.737     0           0           
1 1 1 18 26 4  o 10.968  3.67733 -0.0764624   0.538314  -0.613122    0.608847  2.12661     130.905     3.548       310.905     
1 1 1 18 26 5  o 18.5132 5.25239 0.998082     0.743458  1.11978      0.792444  15.476      142.799     4.5838      142.799     
1 1 1 18 26 6  o 7.50793 2.67962 -0.956903    0.368245  -1.16444     0.543301  0.706643    138.647     3.57401     138.647     
1 1 1 18 26 7  o 16.2797 5.0661  0.735151     0.785214  0.54724      0.885995  9.5306      198.883     6.84652     18.883      
1 1 1 18 26 8  o 12.9683 4.27396 -0.35267     0.633376  0.31706      0.76113   2.91213     256.955     0.113853    76.9554     
1 1 1 18 26 9  o 26.754  6.11146 2.728        0.954208  2.30879      1.00118   25.7311     170.945     3.36713     170.945     
1 1 1 18 26 10 o 14.7906 4.70063 0.673227     0.741913  -0.0450608   0.813767  4.69621     300.226     1.52151     300.226     
1 1 1 18 26 11 o 15.4297 5.19631 -0.126151    0.683313  1.42664      1.4159    9.82924     73.5383     0.567048    73.5383     
1 1 1 18 26 12 o 27.2071 6.89458 3.35413      1.42549   3.33577      1.13805   31.5583     322.21      19.0848     322.21      
1 1 1 18 26 13 o 21.509  5.95922 2.03778      0.953949  1.60221      1.01105   20.9593     62.7169     7.11255     62.7169     
1 1 1 18 26 14 f 16.7372 5.19391 0.895887     0.86851   0.823631     0.862428  10.788      234.847     0           0           
1 1 1 18 26 15 o 18.5479 5.48313 1.56068      0.908896  0.941028     0.872637  15.7505     73.2022     1.95519     73.2022     
1 1 1 18 26 16 o 14.1083 4.60936 -0.457113    0.785471  0.80493      0.838126  8.9648      224.149     0.921988    44.1486     
1 1 1 18 26 17 o 21.0998 5.92188 1.8738       0.986938  1.74349      0.944714  18.7055     30.5659     1.49186     30.5658     
1 1 1 18 26 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 26 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 27 0  f 9.21247 4.73893 -1.66977     1.29098   -1.66977     1.29098   3.22407     180         0           0           
1 1 1 18 27 1  o 14.5051 4.11747 -0.580069    0.607413  1.00152      0.551619  9.33095     71.5149     2.48213     251.515     
1 1 1 18 27 2  o 21.7663 5.17161 1.97858      0.722854  1.02082      0.756665  19.0347     292.416     0.0915956   292.416     
1 1 1 18 27 3  o 9.26428 3.19298 -0.459127    0.416654  -0.596412    0.564053  0.995979    65.9472     5.03451     245.947     
1 1 1 18 27 4  o 18.1625 5.27386 1.09373      0.773318  1.1007       0.819153  15.5009     235.579     3.14556     235.579     
1 1 1 18 27 5  o 19.5378 5.44844 1.13222      0.785016  1.5596       0.845298  17.7762     130.923     9.56718     130.923     
1 1 1 18 27 6  o 15.2076 4.7871  0.52354      0.710792  0.562537     0.813189  10.5242     108.538     0.27484     288.539     
1 1 1 18 27 7  o 12.8969 4.25258 0.431502     0.674064  -0.842644    0.84075   1.73881     303.784     0.355063    303.784     
1 1 1 18 27 8  f 11.5312 3.95848 -0.509261    0.605391  -0.258826    0.837359  10.6723     82.4365     0           0           
1 1 1 18 27 9  o 12.8465 4.32843 -0.212829    0.708828  0.0320414    0.869781  4.39372     81.5551     0.650532    81.5551     
1 1 1 18 27 10 o 19.3173 5.76881 1.14877      1.04784   1.7968       0.983967  14.9654     139.956     2.61169     319.956     
1 1 1 18 27 11 o 15.3595 5.17253 -0.444862    0.790601  1.6605       1.3101    10.066      36.1592     3.40094     36.1592     
1 1 1 18 27 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 27 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 27 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 28 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 28 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 28 2  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 28 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 28 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 18 28 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 0  1  o 39.6216 3.93926 3.06569      0.763139  3.06569      0.763139  25.3852     90          44.5785     270         
1 1 1 19 0  2  o 53.068  3.32248 5.31326      0.896724  5.31326      0.896724  43.634      2.66371e-06 40.7963     180         
1 1 1 19 0  3  o 23.6317 6.22938 1.39561      0.710079  1.39561      0.710079  6.41392     270         6.00579     90          
1 1 1 19 0  4  o 8.54158 4.15202 -0.419472    0.599801  -0.419472    0.599801  43.2086     8.65141e-06 97.0451     8.65141e-06 
1 1 1 19 0  5  o 15.7063 5.94846 0.66319      0.663557  0.66319      0.663557  3.90592     90          18.1974     90          
1 1 1 19 0  6  o 73.2329 2.89366 9.97186      1.09056   9.97186      1.09056   133.88      180         91.4673     180         
1 1 1 19 0  7  o 45.0972 3.78653 3.91461      0.852321  3.91461      0.852321  36.8834     90          34.7262     270         
1 1 1 19 0  8  o 46.5922 3.52272 4.14481      0.826288  4.14481      0.826288  79.8182     180         50.8788     180         
1 1 1 19 0  9  o 83.0832 2.82544 12.8099      1.21039   12.8099      1.21039   92.1429     90          15.2074     270         
1 1 1 19 0  10 o 135.524 2.57428 33.9016      1.80549   33.9016      1.80549   124.771     3.29894e-06 75.4613     180         
1 1 1 19 0  11 o 11.7424 5.12748 0.202454     0.613565  0.202454     0.613565  11.5278     90          40.6263     90          
1 1 1 19 0  12 o 119.402 2.60014 26.352       1.60585   26.352       1.60585   135.052     2.17335e-06 15.4089     180         
1 1 1 19 0  13 o 65.6849 3.26587 8.09806      1.09912   8.09806      1.09912   90.477      270         24.1466     270         
1 1 1 19 0  14 o 93.741  3.17416 16.3679      1.53428   16.3679      1.53428   118.052     1.53357e-06 12.7162     1.53357e-06 
1 1 1 19 0  15 o 10.6151 4.96111 -0.135569    0.708931  -0.135569    0.708931  1.91794     270         6.94037     270         
1 1 1 19 0  16 o 30.4531 5.46321 2.03611      0.745617  2.03611      0.745617  33.7638     360         4.08094     180         
1 1 1 19 0  17 o 48.2358 3.50815 4.45599      0.854074  4.45599      0.854074  82.2341     90          50.3281     90          
1 1 1 19 0  18 o 104.801 2.70236 20.394       1.46362   20.394       1.46362   161.018     2.41382e-06 74.3861     2.41382e-06 
1 1 1 19 0  19 o 13.0186 5.41587 0.388983     0.620068  0.388983     0.620068  0.110274    90          8.42809     270         
1 1 1 19 0  20 o 10.8637 4.96884 0.0162225    0.657153  0.0162225    0.657153  2.06033     180         11.2382     180         
1 1 1 19 0  21 o 16.2602 6.0332  0.751626     0.671105  0.751626     0.671105  8.62223     270         4.79069     90          
1 1 1 19 0  22 o 67.7875 3.46286 8.72782      1.2019    8.72782      1.2019    86.0194     180         13.5308     180         
1 1 1 19 0  23 o 16.2642 5.99505 0.761756     0.659418  0.761756     0.659418  11.9456     270         0.567762    90          
1 1 1 19 0  24 o 11.5156 5.01033 0.233942     0.580863  0.233942     0.580863  0.185277    1.59875e-09 0.378505    180         
1 1 1 19 0  25 f 17.9599 6.494   0.95586      0.763945  0.95586      0.763945  8.88287     270         0           0           
1 1 1 19 0  26 o 21.8996 6.69649 1.35386      0.783173  1.35386      0.783173  23.5857     180         2.9931      360         
1 1 1 19 0  27 o 15.8811 6.09367 0.733705     0.704956  0.733705     0.704956  16.3413     270         0.227638    270         
1 1 1 19 0  28 o 34.9491 4.93313 2.60004      0.793251  2.60004      0.793251  60.9859     8.96502e-11 41.8947     8.96502e-11 
1 1 1 19 0  29 o 17.7388 6.13894 0.935566     0.668167  0.935566     0.668167  14.0111     270         12.0521     90          
1 1 1 19 0  30 o 41.644  3.96275 3.48719      0.811913  3.48719      0.811913  52.927      7.67225e-12 11.1061     7.67225e-12 
1 1 1 19 0  31 o 20.353  6.25503 1.19324      0.682983  1.19324      0.682983  0.947258    90          44.2243     270         
1 1 1 19 0  32 o 12.4566 5.49589 0.29317      0.72323   0.29317      0.72323   8.1893      180         5.80221     8.65187e-06 
1 1 1 19 0  33 o 15.549  6.12836 0.741364     0.734171  0.741364     0.734171  4.72594     90.0001     2.54386     90.0001     
1 1 1 19 0  34 o 26.1494 6.38532 1.8021       0.779666  1.8021       0.779666  18.5614     180         21.3779     8.65143e-06 
1 1 1 19 0  35 o 9.55998 4.52991 -0.122192    0.626584  -0.122192    0.626584  0.622387    270         16.5749     90          
1 1 1 19 0  36 o 14.3756 5.78525 0.641619     0.672084  0.641619     0.672084  14.591      180         4.41834     180         
1 1 1 19 0  37 o 12.8135 5.4821  0.449524     0.670077  0.449524     0.670077  11.0031     270         2.21993     270         
1 1 1 19 0  38 o 14.9994 5.91539 0.751767     0.684533  0.751767     0.684533  14.9895     7.03732e-06 8.11352     7.03732e-06 
1 1 1 19 0  39 o 6.21199 3.20155 -1.22872     0.605924  -1.22872     0.605924  4.39263     90          18.7097     90          
1 1 1 19 0  40 o 36.8979 4.69262 3.05329      0.811275  3.05329      0.811275  58.4154     2.15326e-06 36.6594     2.15326e-06 
1 1 1 19 0  41 o 13.9852 6.01113 0.680911     0.813567  0.680911     0.813567  5.96701     270         17.7387     90          
1 1 1 19 0  42 o 19.2973 6.88372 1.42988      0.85179   1.42988      0.85179   11.435      360         8.52838     360         
1 1 1 19 0  43 o 6.83854 3.4879  -0.90564     0.626022  -0.90564     0.626022  1.34249     90          9.06376     90          
1 1 1 19 0  44 o 9.7355  4.68346 -0.060271    0.720758  -0.060271    0.720758  1.06726     180         16.0446     8.80469e-06 
1 1 1 19 0  45 o 10.007  4.7709  0.0393753    0.715086  0.0393753    0.715086  1.41759     270         14.6692     90          
1 1 1 19 0  46 o 9.782   4.68327 0.011989     0.703297  0.011989     0.703297  0.79661     360         1.58957     180         
1 1 1 19 0  47 o 8.75135 4.4985  -1.47138     1.15149   -1.47138     1.15149   0.186803    90          10.3004     270         
1 1 1 19 0  48 o 11.2535 5.49693 0.120987     1.08232   0.120987     1.08232   4.597       0           1.12651     180         
1 1 1 19 0  49 o 14.6874 6.18036 1.00389      0.824218  1.00389      0.824218  12.803      90          2.89977     270         
1 1 1 19 0  50 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 1  0  o 65.7482 2.99778 8.06101      1.01181   8.06101      1.01181   56.8133     90          45.0453     270         
1 1 1 19 1  1  o 102.128 2.67476 19.2698      1.41224   19.3284      1.41486   129.854     94.3465     17.828      94.3465     
1 1 1 19 1  2  f 26.9752 4.86364 1.10838      0.692744  1.73622      0.68912   45.8574     74.6477     0           0           
1 1 1 19 1  3  o 55.8485 3.20621 6.15499      0.927521  5.4987       0.91131   71.4775     262.627     17.8736     262.627     
1 1 1 19 1  4  o 63.917  3.03147 7.54023      1.00792   7.66584      0.988907  70.6496     258.692     6.43276     78.6919     
1 1 1 19 1  5  o 49.8492 3.43276 3.91314      0.860476  5.47617      0.870291  62.5262     141.053     15.2834     141.053     
1 1 1 19 1  6  o 76.5238 2.85308 12.1769      1.14761   9.64188      1.10084   107.789     250.661     37.6848     250.661     
1 1 1 19 1  7  o 91.5287 2.75239 16.6034      1.3116    14.4998      1.29084   114.264     235.226     12.4101     235.226     
1 1 1 19 1  8  o 43.8609 3.73333 2.86245      0.807779  4.51333      0.816454  53.2646     1.82692     10.7537     1.82692     
1 1 1 19 1  9  o 60.8298 3.12384 6.55208      0.969843  7.28072      0.985268  49.4133     268.446     43.3968     88.4456     
1 1 1 19 1  10 o 51.7765 3.35486 5.85228      0.897697  4.28211      0.868557  36.7133     8.20127     46.9206     188.201     
1 1 1 19 1  11 o 67.8334 2.94772 9.18182      1.0409    8.0024       1.01952   93.7481     302.976     29.3044     302.976     
1 1 1 19 1  12 o 21.8594 5.17115 1.06734      0.710941  0.673228     0.679564  12.0787     166.723     15.9777     346.723     
1 1 1 19 1  13 o 32.9568 4.6781  1.28031      0.782104  3.1085       0.765283  36.8322     354.239     4.18342     354.239     
1 1 1 19 1  14 o 31.8173 4.82139 1.58959      0.792063  2.44098      0.755314  34.2678     143.342     1.95573     143.342     
1 1 1 19 1  15 o 68.177  3.48784 9.10759      1.2187    8.44559      1.22793   79.473      279.21      0.0846947   279.21      
1 1 1 19 1  16 o 28.7645 5.03431 2.1277       0.761712  1.20485      0.76087   21.4262     98.9466     18.1552     278.947     
1 1 1 19 1  17 o 44.7392 3.76678 4.41492      0.829915  3.29884      0.858594  56.1103     256.011     12.0932     256.011     
1 1 1 19 1  18 o 52.2649 3.51    6.41062      0.958416  4.12075      0.893854  61.9372     228.906     4.64392     228.906     
1 1 1 19 1  19 o 29.977  4.8616  2.24076      0.753967  1.41376      0.737756  23.4113     137.246     17.7808     317.246     
1 1 1 19 1  20 f 67.1205 3.20123 7.76571      1.1025    9.35702      1.10392   88.2942     282.509     0           0           
1 1 1 19 1  21 f 19.7187 5.02422 0.499065     0.622859  0.873452     0.698374  31.1884     211.306     0           0           
1 1 1 19 1  22 o 16.0124 4.48789 0.725944     0.62293   -0.486391    0.618878  6.97249     52.7005     1.59176     232.701     
1 1 1 19 1  23 o 47.7296 3.65044 4.34223      0.884161  4.52697      0.893263  59.5383     155.409     10.9052     155.409     
1 1 1 19 1  24 o 36.5152 4.29354 3.14409      0.801028  2.26327      0.759441  28.3449     61.3191     25.4787     241.319     
1 1 1 19 1  25 o 28.7929 5.01488 1.14233      0.750031  2.40464      0.786749  20.3091     359.782     22.7869     179.782     
1 1 1 19 1  26 o 39.0019 4.80973 2.62398      0.934785  3.71658      0.922137  56.8578     43.6087     28.0118     43.6087     
1 1 1 19 1  27 o 14.4578 4.51101 0.0293568    0.681967  -0.16165     0.641117  4.36304     109.607     19.6517     289.607     
1 1 1 19 1  28 o 13.9297 4.27772 -0.260129    0.585831  0.209546     0.583872  5.0844      115.823     16.448      295.823     
1 1 1 19 1  29 o 21.5831 5.11857 1.06194      0.677768  0.888965     0.675161  18.0819     104.194     8.77572     284.194     
1 1 1 19 1  30 o 13.2239 4.19795 -0.465849    0.58801   0.0973048    0.627414  8.01483     312.309     4.70126     132.309     
1 1 1 19 1  31 o 39.2095 4.30212 2.99455      0.837577  3.43991      0.851984  63.503      13.1113     43.1189     13.1113     
1 1 1 19 1  32 o 26.9128 5.11367 2.1001       0.77045   1.19069      0.720969  30.0664     282.932     3.56733     282.932     
1 1 1 19 1  33 o 31.086  5.3121  2.01243      0.79339   2.44158      0.900816  34.4191     271.077     2.43728     271.077     
1 1 1 19 1  34 o 36.4819 4.65671 3.57683      0.833856  2.30843      0.843034  50.8612     121.845     23.7073     121.845     
1 1 1 19 1  35 o 16.8234 4.71206 0.96205      0.692719  -0.158274    0.624097  16.4914     158.973     3.79472     158.973     
1 1 1 19 1  36 o 16.1646 4.74981 0.606497     0.673565  0.13335      0.658181  14.2218     97.6159     1.16327     277.616     
1 1 1 19 1  37 o 16.5521 4.77733 0.662971     0.65349   0.284885     0.658502  15.536      301.482     0.645978    301.482     
1 1 1 19 1  38 o 11.2926 3.80933 -0.450199    0.629764  -0.580646    0.610899  6.72004     94.6497     2.37558     274.65      
1 1 1 19 1  39 o 29.333  4.96581 1.38729      0.761083  3.06485      0.803316  39.522      19.7588     18.7495     19.7588     
1 1 1 19 1  40 o 12.7277 4.14649 -0.53485     0.65061   0.185804     0.645888  8.76799     295.594     1.03948     295.594     
1 1 1 19 1  41 o 11.0404 3.80655 -0.791628    0.731138  -0.7266      0.683303  2.92192     166.604     12.5042     346.604     
1 1 1 19 1  42 o 14.7622 4.6316  0.849195     0.764877  -0.527456    0.743264  11.8727     216.644     2.42998     216.644     
1 1 1 19 1  43 o 11.8073 3.98552 0.00759813   0.703632  -0.772524    0.66748   6.32368     342.352     4.85481     162.352     
1 1 1 19 1  44 o 10.2648 3.56548 -0.979795    0.663879  -0.592132    0.651494  3.20362     101.311     1.73727     281.311     
1 1 1 19 1  45 o 12.6701 4.22296 -0.355626    0.696166  0.190237     0.744554  6.73101     351.9       5.40482     171.9       
1 1 1 19 1  46 o 15.3896 4.79358 -0.289713    0.759472  1.24599      0.822688  10.2201     51.2206     2.68498     51.2206     
1 1 1 19 1  47 o 20.9177 6.0198  2.44131      1.03562   1.4374       1.1308    19.6335     293.564     12.4108     293.564     
1 1 1 19 1  48 o 14.6854 4.90782 0.174081     1.05011   0.701107     0.946654  10.1167     179.338     2.63966     179.338     
1 1 1 19 1  49 o 17.4844 5.29789 1.61356      0.937562  0.825419     0.774838  15.994      349.582     8.51571     349.582     
1 1 1 19 2  0  o 10.5672 4.79582 0.0276794    0.596907  0.0276794    0.596907  6.46211     90          16.0526     90          
1 1 1 19 2  1  o 56.3681 3.19547 6.31357      0.930686  5.5585       0.918628  48.6342     235.167     32.4444     55.1667     
1 1 1 19 2  2  o 48.3648 3.43042 4.88755      0.860485  3.91712      0.830336  68.1344     304.947     36.7895     304.947     
1 1 1 19 2  3  o 49.3932 3.38967 4.22103      0.854025  4.94149      0.855098  41.0156     183.779     30.0904     3.77939     
1 1 1 19 2  4  o 74.9674 2.91163 11.6508      1.12693   9.29201      1.11691   82.6825     267.311     10.2269     87.3108     
1 1 1 19 2  5  o 24.5061 4.38122 2.17149      0.689417  0.0187949    0.651757  2.34778     72.6378     53.7833     72.6377     
1 1 1 19 2  6  o 84.3839 2.76767 13.5696      1.21123   12.8517      1.20291   138.059     241.755     80.4689     241.755     
1 1 1 19 2  7  o 30.6805 4.56772 1.43787      0.704726  2.26223      0.705907  21.8577     137.248     19.0011     317.248     
1 1 1 19 2  8  o 33.1421 4.46405 1.67665      0.736714  2.63055      0.733518  24.036      274.166     22.9675     94.166      
1 1 1 19 2  9  o 105.334 2.66384 19.621       1.44729   21.5497      1.45485   142.997     47.7378     36.3911     47.7378     
1 1 1 19 2  10 o 14.1644 4.31659 0.176822     0.592069  -0.337314    0.584538  1.28164     328.554     13.8404     328.554     
1 1 1 19 2  11 o 33.339  4.61482 2.02748      0.77034   2.32581      0.766957  40.2678     74.5693     27.1706     74.5693     
1 1 1 19 2  12 o 68.7999 3.18895 7.28581      1.09985   10.5957      1.13652   83.5171     250.356     6.14714     250.356     
1 1 1 19 2  13 o 19.7474 4.80246 -0.0216966   0.654674  1.16815      0.667441  3.25738     259.493     46.4779     259.493     
1 1 1 19 2  14 o 26.3707 5.0448  1.38473      0.711472  1.38242      0.700885  26.1083     315.276     8.43359     315.276     
1 1 1 19 2  15 o 13.0527 4.13779 -0.75501     0.601104  0.0599064    0.60455   0.311537    69.5422     3.99469     69.5422     
1 1 1 19 2  16 o 18.2701 5.02422 0.342762     0.67739   0.537068     0.692351  7.15633     315.179     5.95544     135.179     
1 1 1 19 2  17 o 43.5408 4.18505 3.49224      0.918946  3.86659      0.918871  41.2874     113.357     15.9517     293.357     
1 1 1 19 2  18 o 17.2762 4.48583 -0.550876    0.632013  0.976365     0.62447   3.83921     47.8845     21.4685     227.884     
1 1 1 19 2  19 o 14.9316 4.31737 -0.576502    0.559414  0.582103     0.612529  1.72586     60.9705     17.5205     240.971     
1 1 1 19 2  20 o 30.5174 4.54304 1.62715      0.688612  2.12961      0.704693  29.3015     356.753     7.00684     176.753     
1 1 1 19 2  21 o 47.2013 3.47453 4.17476      0.847621  4.40297      0.826224  54.8531     298.03      2.62798     298.03      
1 1 1 19 2  22 o 13.8939 4.18671 0.45395      0.609806  -0.82466     0.565255  4.04191     113.227     5.32371     293.227     
1 1 1 19 2  23 o 24.6707 4.72387 1.92848      0.67867   0.538678     0.677227  29.7641     76.9785     12.0352     76.9785     
1 1 1 19 2  24 o 43.211  4.27095 4.1932       0.911673  3.3135       0.932515  54.7478     302.309     12.5139     302.309     
1 1 1 19 2  25 o 23.4283 5.36007 0.744337     0.742439  1.52139      0.785376  23.1537     64.5661     1.95906     244.566     
1 1 1 19 2  26 o 30.7883 5.52721 1.97216      0.945437  2.13703      0.827108  43.2147     346.207     21.7266     346.207     
1 1 1 19 2  27 o 13.356  4.26612 -0.51688     0.650494  -0.0119663   0.628038  7.25508     293.716     8.28719     113.716     
1 1 1 19 2  28 o 12.5191 3.94179 0.318075     0.597317  -1.19056     0.547729  5.82514     22.0402     9.17817     202.04      
1 1 1 19 2  29 o 42.7035 4.09788 3.24691      0.876333  4.2064       0.874513  42.2955     109.201     10.9799     289.201     
1 1 1 19 2  30 o 57.219  3.50331 6.01207      1.02988   7.01475      1.02073   74.6202     20.4668     20.8949     20.4668     
1 1 1 19 2  31 o 53.3338 3.5132  6.14055      1.00848   5.25144      0.912387  60.1465     42.9725     1.08617     42.9728     
1 1 1 19 2  32 o 18.4    5.02949 0.417887     0.646951  0.821665     0.724296  8.77685     344.086     20.1053     164.086     
1 1 1 19 2  33 o 21.7575 4.98791 0.588622     0.689422  1.46427      0.673397  13.7547     139.023     17.9755     319.023     
1 1 1 19 2  34 o 11.4294 3.84017 -0.328333    0.620901  -0.919723    0.629925  4.17468     201.266     1.28502     21.2657     
1 1 1 19 2  35 o 13.578  4.33893 -0.234299    0.640162  0.022453     0.665502  9.818       130.333     1.32748     310.334     
1 1 1 19 2  36 o 13.1809 4.25261 0.0652564    0.65929   -0.423252    0.642861  4.75346     270.676     15.3733     90.6756     
1 1 1 19 2  37 o 16.7437 4.84606 0.472546     0.678329  0.545264     0.660719  14.1087     167.883     3.72101     347.883     
1 1 1 19 2  38 o 18.8647 5.04848 0.983757     0.675945  0.699983     0.689047  17.3183     353.049     2.44408     173.049     
1 1 1 19 2  39 o 35.9975 4.83992 3.87147      0.882227  2.51512      0.850409  48.1461     270.748     20.5007     270.748     
1 1 1 19 2  40 o 19.6665 5.20961 1.10744      0.705884  0.973031     0.732079  22.0906     314.612     8.10381     314.612     
1 1 1 19 2  41 f 22.6757 5.77692 1.57215      0.940395  1.66738      0.813944  24.8542     304.537     0           0           
1 1 1 19 2  42 o 17.2211 5.10432 1.27515      0.847183  0.228182     0.726444  4.4022      284.626     2.90135     284.626     
1 1 1 19 2  43 o 17.7174 5.14405 0.976391     0.758056  0.846279     0.757002  8.81291     319.705     16.7858     139.705     
1 1 1 19 2  44 o 13.8041 4.43087 0.600087     0.709667  -0.312703    0.716458  9.9324      158.945     1.73895     338.945     
1 1 1 19 2  45 o 16.9312 4.93087 1.94092      0.887216  -0.836433    0.772991  12.4036     320.114     6.57388     320.114     
1 1 1 19 2  46 o 15.1869 4.81695 0.970273     0.81157   -0.0210739   0.815903  10.7463     228.57      0.60694     48.5698     
1 1 1 19 2  47 o 18.2685 5.50627 1.85954      0.968056  0.678491     0.935084  8.22454     225.052     5.22533     225.052     
1 1 1 19 2  48 o 13.2436 4.44305 0.745484     0.815256  -1.54006     1.04372   5.86944     223.41      1.51183     223.41      
1 1 1 19 2  49 o 14.7628 4.81022 1.03596      0.841691  -0.269385    0.993999  4.90317     196.987     2.62554     196.987     
1 1 1 19 3  0  o 201.797 2.50896 74.9907      2.62262   74.9907      2.62262   264.097     90          42.1977     90          
1 1 1 19 3  1  o 25.873  4.90833 1.69327      0.695596  0.916199     0.680446  10.317      173.14      26.2374     353.14      
1 1 1 19 3  2  o 64.891  3.02827 7.93886      1.01515   7.73912      1.01061   78.1828     327.994     6.5311      327.994     
1 1 1 19 3  3  o 32.342  4.5244  1.70134      0.729943  2.38177      0.731506  27.2021     132.833     11.8206     132.833     
1 1 1 19 3  4  f 49.5802 3.34567 4.34148      0.846265  4.88661      0.850136  46.0702     223.673     0           0           
1 1 1 19 3  5  o 33.8656 4.27028 1.76526      0.715415  2.70237      0.716137  36.4412     342.059     10.0462     342.059     
1 1 1 19 3  6  o 14.1637 4.09915 0.612814     0.609196  -1.27797     0.557809  6.58354     63.9599     26.669      63.9599     
1 1 1 19 3  7  o 24.7868 4.91011 0.869266     0.672154  1.51344      0.668458  11.0654     107.29      25.4484     287.29      
1 1 1 19 3  8  o 127.91  2.59478 31.9747      1.73617   28.6864      1.69908   166.651     347.738     28.9041     347.738     
1 1 1 19 3  9  o 67.016  3.2075  8.6914       1.11396   8.11165      1.10073   104.381     40.2628     54.2114     40.2628     
1 1 1 19 3  10 o 122.605 2.78172 28.5743      1.76248   27.2849      1.76782   157.156     340.276     22.9583     340.276     
1 1 1 19 3  11 o 59.282  3.31544 6.75629      1.02082   6.4483       1.00018   84.5328     326.584     32.6713     326.584     
1 1 1 19 3  12 o 30.9845 4.87274 1.8655       0.760932  1.93757      0.763913  36.555      205.734     12.2296     205.734     
1 1 1 19 3  13 o 11.5612 3.78066 -1.62691     0.602491  -0.00855438  0.575328  2.74403     62.0294     11.8761     62.0294     
1 1 1 19 3  14 o 42.6815 3.86651 3.3963       0.835108  3.58666      0.835913  54.334      326.856     13.8531     326.856     
1 1 1 19 3  15 f 25.1925 4.96571 0.741702     0.682752  1.77174      0.722986  54.442      211.941     0           0           
1 1 1 19 3  16 o 59.8446 3.61024 6.76231      1.10454   6.85038      1.11396   62.1266     153.368     14.1826     333.368     
1 1 1 19 3  17 o 42.6745 4.16675 3.06203      0.866449  4.04737      0.919144  22.4301     271.766     52.6113     91.7656     
1 1 1 19 3  18 o 52.2252 3.44903 5.3459       0.903929  5.05261      0.939491  59.2462     190.295     0.816498    10.295      
1 1 1 19 3  19 o 14.8192 4.28589 -0.636449    0.586103  0.562714     0.587195  3.08323     110.049     9.89039     290.049     
1 1 1 19 3  20 o 25.6672 4.70498 1.94459      0.681502  0.741461     0.650503  11.3197     171.047     32.7141     351.047     
1 1 1 19 3  21 o 30.4101 4.52741 1.98436      0.692511  1.76246      0.689873  40.3876     150.113     18.8872     150.113     
1 1 1 19 3  22 o 27.5024 4.65447 2.15784      0.690561  0.986017     0.661237  27.9444     125.944     2.56967     305.944     
1 1 1 19 3  23 o 13.9844 4.19161 -0.578151    0.581093  0.401899     0.562719  4.9722      58.3243     12.3871     238.324     
1 1 1 19 3  24 o 22.5972 4.85246 1.56139      0.666152  0.458236     0.674831  25.9095     48.7206     8.70717     48.7206     
1 1 1 19 3  25 o 36.3023 4.71624 2.83167      0.799978  2.61613      0.903547  34.6524     68.1695     11.8267     248.17      
1 1 1 19 3  26 o 18.2389 4.74198 -0.424744    0.657645  1.18308      0.713862  14.4302     204.634     7.4997      24.6342     
1 1 1 19 3  27 o 23.9181 5.4226  1.10413      0.816973  1.31995      0.718403  28.9157     125.699     9.40924     125.699     
1 1 1 19 3  28 o 15.1441 4.69667 0.272929     0.791577  -0.257671    0.619462  1.43151     15.0963     34.0428     15.0963     
1 1 1 19 3  29 o 57.7771 3.45875 6.41135      1.04214   6.77042      1.00776   74.4871     151.04      18.977      151.04      
1 1 1 19 3  30 o 53.8183 3.4493  5.31679      0.948065  6.20698      0.950002  65.5009     144.412     10.487      144.412     
1 1 1 19 3  31 f 14.0576 4.35123 -0.584069    0.605578  0.388905     0.661291  8.16299     75.0913     0           0           
1 1 1 19 3  32 f 14.4742 4.3826  0.43941      0.619628  -0.353622    0.606872  14.0224     313.058     0           0           
1 1 1 19 3  33 o 24.7096 5.06876 1.46104      0.69762   1.33127      0.677088  32.8845     1.46204     17.8538     1.46204     
1 1 1 19 3  34 o 33.6701 4.66726 3.51833      0.816492  1.63642      0.756455  34.234      234.296     4.2251      54.2956     
1 1 1 19 3  35 o 15.7897 4.75563 0.0239291    0.70013   0.487002     0.688123  2.49785     53.7238     1.48228     53.7238     
1 1 1 19 3  36 o 14.5122 4.58128 0.392323     0.739444  -0.462954    0.703696  11.673      127.261     1.68348     307.261     
1 1 1 19 3  37 o 20.3433 5.20981 1.06862      0.702096  0.950127     0.713841  21.3324     7.6125      2.76043     7.61251     
1 1 1 19 3  38 o 14.3894 4.53433 0.0459781    0.682215  0.195201     0.688171  12.515      255.613     0.838215    255.613     
1 1 1 19 3  39 o 23.9385 4.9156  2.53669      0.791591  0.402497     0.757629  30.9756     67.8623     14.7807     67.8623     
1 1 1 19 3  40 o 18.3638 5.02732 0.470907     0.707913  1.19638      0.708365  19.051      261.255     11.4831     261.255     
1 1 1 19 3  41 o 16.7558 5.08171 -0.147879    0.815884  1.21285      0.860128  15.3786     53.7714     2.47552     53.7714     
1 1 1 19 3  42 o 12.5859 4.20696 0.0102848    0.720325  -0.512998    0.74025   7.38894     61.1893     4.7542      241.189     
1 1 1 19 3  43 o 19.379  5.05568 1.80105      0.762424  0.325144     0.74564   19.5787     138.676     3.25394     138.676     
1 1 1 19 3  44 o 13.3509 4.37607 -0.0871851   0.780308  0.227257     0.679325  6.07662     351.688     1.88344     351.688     
1 1 1 19 3  45 o 23.1828 5.59165 2.47314      0.865253  1.29802      0.840418  27.6104     229.249     14.8778     229.249     
1 1 1 19 3  46 o 15.5991 4.80967 0.822962     0.750867  0.466701     0.717323  10.7612     79.6726     4.12008     259.673     
1 1 1 19 3  47 o 14.7834 4.85378 0.166885     0.910989  0.711557     0.890567  4.49541     152.865     1.91719     152.865     
1 1 1 19 3  48 o 10.8319 3.77455 -1.43826     0.796085  -0.184753    0.741758  4.04944     97.0552     2.10688     277.055     
1 1 1 19 3  49 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 4  0  f 8.92607 4.26783 -0.272587    0.58025   -0.272587    0.58025   36.2496     270         0           0           
1 1 1 19 4  1  o 43.9536 3.54819 3.7305       0.800422  3.55786      0.787348  53.7094     201.716     12.329      201.716     
1 1 1 19 4  2  o 73.9057 2.85165 10.0678      1.08937   10.2283      1.08719   90.8652     53.4132     9.06441     53.4131     
1 1 1 19 4  3  o 118.175 2.62438 24.432       1.59163   27.322       1.61709   140.59      262.801     0.0268842   262.802     
1 1 1 19 4  4  o 35.2963 4.04519 2.29085      0.713761  2.49118      0.715025  25.8092     271.958     25.1088     91.9576     
1 1 1 19 4  5  o 45.4848 3.52567 4.01006      0.820168  3.79518      0.814709  64.7563     227.111     32.3086     227.111     
1 1 1 19 4  6  o 58.0277 3.23761 6.4482       0.940125  6.15887      0.989341  66.4753     346.932     1.11722     166.932     
1 1 1 19 4  7  o 69.2101 3.15341 9.45156      1.13447   8.45495      1.11433   106.309     49.6174     52.6867     49.6174     
1 1 1 19 4  8  o 40.8388 4.10977 3.66754      0.856632  2.75514      0.823732  21.8178     304.149     49.9807     124.149     
1 1 1 19 4  9  o 57.8094 3.3963  6.07015      1.00865   6.49713      1.00738   68.2069     10.0616     2.34794     10.0616     
1 1 1 19 4  10 o 65.0661 3.42382 8.15815      1.14879   7.75917      1.14371   54.944      102.688     42.7428     282.688     
1 1 1 19 4  11 o 26.4224 5.02026 0.514906     0.765613  2.18415      0.781424  17.4221     145.797     19.9373     325.797     
1 1 1 19 4  12 o 104.292 2.83207 20.6932      1.54097   19.8448      1.51532   125.053     331.551     3.86361     331.551     
1 1 1 19 4  13 o 35.9662 4.27797 2.23171      0.75629   2.81931      0.778103  30.3283     227.157     19.3111     47.1572     
1 1 1 19 4  14 o 31.3135 4.58542 2.79647      0.747229  1.18808      0.709548  26.1925     172.077     15.1841     352.077     
1 1 1 19 4  15 o 41.5549 3.75901 3.5093       0.766884  3.12369      0.808702  47.8182     154.845     2.96896     154.845     
1 1 1 19 4  16 o 43.9751 3.74049 4.63618      0.882779  2.88826      0.770829  43.6233     42.5584     12.2108     222.558     
1 1 1 19 4  17 o 22.9065 5.08093 0.68961      0.735512  1.30547      0.6553    6.90703     117.875     33.5283     297.875     
1 1 1 19 4  18 o 28.9365 4.95817 1.98135      0.748167  1.42847      0.731944  15.1499     90.8709     32.7458     270.871     
1 1 1 19 4  19 o 27.3164 4.71113 1.91418      0.677866  1.12876      0.665231  26.9368     51.724      2.50945     231.724     
1 1 1 19 4  20 o 9.35961 3.22735 -0.42546     0.526927  -1.57514     0.486765  8.21443     124.709     27.6841     124.709     
1 1 1 19 4  21 o 28.7873 4.67902 1.76963      0.686657  1.62188      0.680908  37.2643     312.898     16.4487     312.898     
1 1 1 19 4  22 o 32.0366 4.42653 1.95184      0.714192  2.21276      0.702462  19.9088     7.48797     31.7264     187.488     
1 1 1 19 4  23 o 11.9161 3.92835 -0.318102    0.59394   -0.663079    0.601979  1.21809     69.507      22.309      69.507      
1 1 1 19 4  24 o 47.0088 3.85144 5.41763      0.916275  3.41971      0.884466  64.5425     100.299     23.3195     100.299     
1 1 1 19 4  25 o 18.2852 4.93344 0.645363     0.648503  0.448573     0.656138  9.7548      177.11      17.8943     357.11      
1 1 1 19 4  26 o 27.1205 5.09704 1.75951      0.69445   1.37651      0.77785   20.5154     158.876     18.3215     338.876     
1 1 1 19 4  27 o 16.4957 5.00914 0.472428     0.832404  -0.264063    0.732218  12.8915     264.518     4.89911     84.5181     
1 1 1 19 4  28 o 33.4533 5.7226  3.57094      1.12016   1.59303      0.90056   36.4264     340.909     0.182952    160.909     
1 1 1 19 4  29 o 28.2685 5.0162  1.62885      0.766327  1.86688      0.70602   42.1442     258.559     28.9691     258.559     
1 1 1 19 4  30 o 19.4008 4.6901  1.41487      0.687867  -0.151564    0.638477  2.22658     29.6882     36.7892     209.688     
1 1 1 19 4  31 o 42.902  4.12977 3.64371      0.896233  3.99892      0.890217  43.6584     92.3349     7.63767     272.335     
1 1 1 19 4  32 o 13.8458 4.3202  -0.617715    0.661383  0.316503     0.622749  9.01881     328.578     4.98081     148.578     
1 1 1 19 4  33 f 29.5829 4.6727  1.2757       0.717173  2.67471      0.715947  17.2293     163.577     0           0           
1 1 1 19 4  34 o 16.5389 4.84373 0.488364     0.669462  0.287131     0.693975  14.4518     277.677     1.19019     97.677      
1 1 1 19 4  35 o 15.0255 4.55366 0.548145     0.650932  -0.352977    0.692228  13.1427     252.751     2.20883     252.751     
1 1 1 19 4  36 o 12.4138 4.07284 -0.205194    0.645312  -0.337336    0.607387  7.5386      148.352     1.00896     148.352     
1 1 1 19 4  37 o 13.4723 4.24362 0.502746     0.658238  -0.951977    0.654757  6.08587     95.7969     2.82777     95.7969     
1 1 1 19 4  38 o 18.2136 4.99146 1.13825      0.720986  0.390159     0.665122  15.722      216.181     4.29066     36.1806     
1 1 1 19 4  39 o 21.4363 5.04654 0.551094     0.735364  1.79976      0.719908  20.9537     343.926     0.924524    163.926     
1 1 1 19 4  40 o 18.6974 5.29442 1.05808      0.808951  0.827159     0.749021  17.002      117.922     1.34354     297.922     
1 1 1 19 4  41 o 11.1158 3.81121 -0.114155    0.713051  -1.28117     0.642528  4.5791      231.599     1.85793     51.5992     
1 1 1 19 4  42 o 11.6029 3.95297 -0.480649    0.712778  -0.478887    0.699404  6.07598     302.467     3.33734     122.467     
1 1 1 19 4  43 o 22.1654 5.61426 1.50624      0.855558  1.78953      0.800259  23.1315     353.942     3.9059      353.942     
1 1 1 19 4  44 o 25.5125 5.9313  2.27675      0.931268  2.35016      0.88789   27.3727     198.552     5.30793     198.552     
1 1 1 19 4  45 o 9.28655 3.27848 -1.43404     0.639533  -0.837159    0.644883  1.06493     340.874     4.58069     160.874     
1 1 1 19 4  46 o 16.4291 4.91947 1.24804      0.77771   0.300482     0.716736  11.7865     103.96      5.07359     103.96      
1 1 1 19 4  47 o 15.2752 5.00539 0.935857     0.978269  0.279136     0.908081  10.7849     179.719     3.18328     359.719     
1 1 1 19 4  48 o 18.9406 5.36102 0.544089     0.890405  2.17248      0.883264  17.0433     66.2469     0.209944    66.2468     
1 1 1 19 4  49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 5  0  o 11.7365 5.09946 0.214121     0.599801  0.214121     0.599801  2.82146     90          9.19417     90          
1 1 1 19 5  1  o 32.1603 4.56434 1.88271      0.72419   2.15453      0.744851  33.9606     163.924     5.03437     163.924     
1 1 1 19 5  2  o 64.9567 3.22459 7.07051      1.07134   8.74612      1.07675   78.2523     60.1546     5.52701     60.1546     
1 1 1 19 5  3  o 26.6155 4.95622 1.98404      0.753992  0.813096     0.691722  21.2673     187.9       5.17754     187.9       
1 1 1 19 5  4  o 33.8275 4.68833 1.59276      0.799267  2.94628      0.777804  4.19206     165.968     67.8737     345.968     
1 1 1 19 5  5  o 44.6293 4.02833 3.58787      0.904025  4.01206      0.915251  25.8108     75.0007     51.1608     255.001     
1 1 1 19 5  6  o 44.9076 3.94631 3.9995       0.904128  3.68514      0.892638  44.064      17.9833     14.3216     197.983     
1 1 1 19 5  7  o 91.1051 3.08658 15.5723      1.4575    15.3952      1.44931   105.151     193.581     5.06038     13.5811     
1 1 1 19 5  8  o 77.3972 3.20492 10.8003      1.26507   11.6215      1.29486   78.7921     321.485     24.6748     141.485     
1 1 1 19 5  9  o 24.6867 5.36914 1.2171       0.764586  1.14914      0.743215  21.3089     333.348     0.264816    333.348     
1 1 1 19 5  10 o 40.2178 4.033   3.86124      0.815587  2.43328      0.787594  41.9996     187.308     6.04419     7.30836     
1 1 1 19 5  11 o 39.7999 4.01318 2.83496      0.800078  3.2669       0.805618  51.5003     58.0006     16.169      58.0006     
1 1 1 19 5  12 o 14.5467 4.2     0.592924     0.598333  -0.894858    0.568459  2.33296     160.546     25.3415     160.546     
1 1 1 19 5  13 o 49.5783 3.35504 4.61707      0.857543  4.6894       0.845675  55.9993     28.261      1.12271     208.261     
1 1 1 19 5  14 o 49.5882 3.36536 5.57817      0.868071  3.82627      0.822258  55.6238     332.111     1.78861     152.111     
1 1 1 19 5  15 o 17.7253 4.70097 0.363032     0.587263  0.582212     0.587268  6.80335     184.626     9.01063     4.62552     
1 1 1 19 5  16 o 50.5761 3.35632 4.66041      0.870973  5.07032      0.866597  52.6479     6.58928     10.2422     186.589     
1 1 1 19 5  17 o 38.0352 4.31687 1.97113      0.788677  3.86059      0.802919  42.1252     296.722     0.343742    296.722     
1 1 1 19 5  18 o 45.6081 3.91125 4.34987      0.884002  3.73288      0.917937  50.9266     188.894     1.21374     8.89397     
1 1 1 19 5  19 o 23.2704 4.9862  1.104        0.628157  1.07852      0.679616  17.0299     151.376     13.1924     331.376     
1 1 1 19 5  20 o 31.8521 4.39792 1.99939      0.706092  2.08521      0.693861  35.8305     134.508     2.80153     134.508     
1 1 1 19 5  21 f 16.9284 4.678   0.645826     0.624903  0.0813587    0.597689  20.8405     69.2484     0           0           
1 1 1 19 5  22 o 30.2523 4.87524 1.44089      0.748677  2.39678      0.76285   24.6767     126.567     17.1939     306.567     
1 1 1 19 5  23 o 41.9903 3.98758 3.94927      0.839561  3.08696      0.838984  58.1805     256.971     22.8319     256.971     
1 1 1 19 5  24 o 17.2679 4.86958 0.46641      0.678957  0.34348      0.633572  7.58966     197.3       19.6185     17.3002     
1 1 1 19 5  25 o 14.4319 4.48104 0.218578     0.683321  -0.39259     0.629501  10.0643     316.332     2.28699     136.332     
1 1 1 19 5  26 o 31.4978 4.8427  2.30789      0.77095   1.88497      0.766878  44.7611     60.425      22.3527     60.4249     
1 1 1 19 5  27 o 16.3949 4.8474  -0.0643919   0.733026  0.470055     0.678841  7.56928     127.316     17.7196     307.316     
1 1 1 19 5  28 o 47.0946 4.81201 3.1877       1.02696   6.39466      1.19157   48.4589     101.799     8.47476     281.799     
1 1 1 19 5  29 o 56.5774 3.72992 5.91222      1.02008   6.97526      1.14363   72.8336     136.756     19.0086     136.756     
1 1 1 19 5  30 o 16.4655 4.66036 0.826017     0.683711  -0.219333    0.607116  14.5123     91.5849     0.211776    271.585     
1 1 1 19 5  31 o 11.9341 3.88566 0.0531437    0.587904  -0.90892     0.568898  5.80213     147.455     4.51621     327.455     
1 1 1 19 5  32 o 11.8037 3.86516 -0.867021    0.576825  -0.00653803  0.58318   3.21323     350.642     13.8664     170.642     
1 1 1 19 5  33 o 16.0399 4.56533 -0.171469    0.614893  0.762681     0.63229   13.166      39.594      5.91369     39.594      
1 1 1 19 5  34 o 15.3701 4.48877 0.708772     0.626545  -0.382548    0.644134  8.88512     309.371     11.8436     129.371     
1 1 1 19 5  35 o 28.0593 4.46199 0.381486     0.753339  3.31799      0.767449  26.8437     125.767     5.87322     305.767     
1 1 1 19 5  36 o 15.3587 4.48669 -0.404578    0.638108  0.797638     0.642061  12.5659     223.628     6.50696     223.628     
1 1 1 19 5  37 o 19.179  5.18038 0.695139     0.739783  1.05333      0.712327  2.39489     308.459     35.0061     128.459     
1 1 1 19 5  38 o 17.2993 4.96538 -0.0215801   0.756043  1.11891      0.744281  17.5487     204.015     3.22963     204.015     
1 1 1 19 5  39 o 14.5725 4.5377  0.336888     0.683864  0.148296     0.648223  9.63022     267.028     7.50488     87.0277     
1 1 1 19 5  40 o 13.3169 4.31389 -0.58961     0.702249  0.374606     0.692973  8.9953      160.207     1.18414     160.207     
1 1 1 19 5  41 o 16.3284 4.9875  0.834229     0.813706  0.356504     0.733954  14.7747     124.66      2.9499      124.66      
1 1 1 19 5  42 o 10.2046 3.57888 -0.706956    0.745717  -1.32807     0.654221  3.68807     169.409     3.84585     349.409     
1 1 1 19 5  43 o 17.4305 4.98818 0.0488281    0.770588  1.50377      0.777515  13.2525     42.1275     6.04061     222.128     
1 1 1 19 5  44 o 15.3661 4.74634 0.342063     0.730208  0.763573     0.717087  11.2156     114.965     3.39619     294.965     
1 1 1 19 5  45 o 11.0723 3.7958  -0.652223    0.700782  -0.317849    0.659751  2.99757     329.583     8.85598     149.583     
1 1 1 19 5  46 o 22.301  5.61204 2.22956      0.840381  1.41597      0.857158  23.6285     71.1762     6.96507     71.1762     
1 1 1 19 5  47 o 10.6372 3.79217 -1.16        0.983668  -1.92694     0.936632  3.57097     171.088     6.11553     351.088     
1 1 1 19 5  48 o 14.7882 4.74558 0.153965     0.876978  0.860139     0.764118  9.16793     339.465     4.169       339.465     
1 1 1 19 5  49 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 6  0  o 12.4714 5.39665 0.258673     0.66551   0.258673     0.66551   2.70886     270         14.27       270         
1 1 1 19 6  1  o 88.598  3.09337 13.5084      1.4003    15.815       1.42728   120.815     244.107     32.8732     244.107     
1 1 1 19 6  2  o 50.5089 3.68646 4.01577      0.924965  5.70623      0.956121  53.9844     115.83      8.29621     295.83      
1 1 1 19 6  3  o 21.3833 4.65996 1.6177       0.711529  -0.215947    0.657785  10.7463     299.772     0.877462    299.772     
1 1 1 19 6  4  o 41.2734 4.13233 3.22108      0.862361  3.31478      0.856125  61.2864     224.778     35.6031     224.778     
1 1 1 19 6  5  o 42.5811 4.22945 2.84021      0.890357  4.18926      0.895096  42.4577     117.223     11.4623     297.223     
1 1 1 19 6  6  o 16.9094 4.71965 0.600187     0.64366   -0.0613784   0.622627  3.9017      93.0976     13.0215     273.098     
1 1 1 19 6  7  o 45.3008 3.98734 3.28072      0.913737  4.6172       0.885218  42.3916     5.65209     18.6788     185.652     
1 1 1 19 6  8  o 90.7387 2.90031 15.0361      1.36176   15.6745      1.35899   100.64      218.843     12.5334     38.8427     
1 1 1 19 6  9  o 66.5952 3.10405 7.95209      1.03125   8.67952      1.10021   89.656      111.069     24.9015     111.069     
1 1 1 19 6  10 o 30.4008 4.5825  1.92981      0.700791  1.72407      0.699598  23.299      134.586     18.889      314.586     
1 1 1 19 6  11 o 54.3736 3.24555 6.935        0.9009    4.35995      0.875274  78.138      83.0294     32.9592     83.0294     
1 1 1 19 6  12 o 47.8068 3.46202 4.01417      0.848197  4.67937      0.837552  58.4178     27.6098     8.7228      27.6098     
1 1 1 19 6  13 o 12.344  3.83211 -1.19851     0.524608  0.288031     0.548401  1.01111     26.3983     7.34319     26.3983     
1 1 1 19 6  14 o 26.9578 4.67024 0.82205      0.684063  2.10167      0.675892  22.8422     79.6557     9.30851     259.656     
1 1 1 19 6  15 o 9.99133 3.40385 -0.722029    0.529691  -0.807054    0.516868  3.78674     77.8435     12.9954     77.8435     
1 1 1 19 6  16 o 33.5779 4.32948 2.70963      0.743409  1.79468      0.702479  27.9349     165.906     18.0389     345.906     
1 1 1 19 6  17 o 34.5291 4.65344 1.85738      0.843731  2.96155      0.739105  42.452      18.1626     11.006      18.1626     
1 1 1 19 6  18 o 35.1868 4.63009 2.38905      0.820611  2.59303      0.805367  48.9081     18.7251     23.7227     18.7251     
1 1 1 19 6  19 o 15.2671 4.60438 0.204223     0.644527  -0.0756729   0.648013  2.36757     102.589     22.3879     282.589     
1 1 1 19 6  20 o 14.3656 4.35162 0.0945286    0.576071  -0.00324719  0.581628  5.65727     304.608     4.74246     124.608     
1 1 1 19 6  21 f 31.5599 4.71693 2.00048      0.738569  2.1023       0.756474  30.1028     24.4723     0           0           
1 1 1 19 6  22 o 34.1922 4.45331 2.23967      0.754955  2.53237      0.764823  35.408      159.084     4.92277     339.085     
1 1 1 19 6  23 o 21.7698 5.15368 0.734003     0.689919  1.17036      0.696974  23.5563     42.9228     4.7295      42.9229     
1 1 1 19 6  24 o 25.5105 5.03751 1.447        0.719707  1.31635      0.663607  30.8322     90.0385     8.65118     90.0385     
1 1 1 19 6  25 o 24.9515 4.90571 1.8618       0.718492  0.79039      0.656757  28.1686     181.398     3.84714     181.398     
1 1 1 19 6  26 o 21.2566 4.95811 1.08365      0.659698  0.78191      0.613623  19.2206     279.701     5.46434     99.7005     
1 1 1 19 6  27 f 26.7748 5.22306 1.94769      0.791417  1.21749      0.726204  23.0334     192.899     0           0           
1 1 1 19 6  28 o 20.5612 5.31825 0.938627     0.778133  0.768601     0.700164  16.8485     325.221     8.28289     145.221     
1 1 1 19 6  29 o 15.91   4.67805 0.30048      0.610804  0.257652     0.663506  11.522      334.421     4.85562     334.421     
1 1 1 19 6  30 o 24.071  4.83903 2.13395      0.738685  0.320581     0.732436  29.5592     244.22      10.6387     244.22      
1 1 1 19 6  31 o 16.7557 4.79931 0.624551     0.690561  0.209691     0.614752  15.3247     304.943     1.63038     304.943     
1 1 1 19 6  32 o 23.0989 5.13767 1.20769      0.699393  1.23785      0.673285  25.2729     11.5367     3.97461     11.5367     
1 1 1 19 6  33 o 14.6777 4.4316  0.444326     0.618028  -0.186855    0.611443  10.534      65.5783     5.14782     245.578     
1 1 1 19 6  34 o 18.5106 4.88107 1.0564       0.662377  0.330896     0.647237  18.6759     144.608     2.20459     144.608     
1 1 1 19 6  35 f 14.0262 4.3788  0.0475123    0.641754  0.105807     0.606529  17.8642     109.851     0           0           
1 1 1 19 6  36 o 12.3988 3.94787 -1.39568     0.606397  0.436845     0.607411  6.54905     290.287     1.93498     290.287     
1 1 1 19 6  37 o 15.5505 4.65155 0.17574      0.659336  0.562951     0.649718  10.2333     315.834     6.25375     315.834     
1 1 1 19 6  38 o 32.141  5.11974 2.45051      0.856206  2.81734      0.811565  36.9366     105.087     6.6502      105.087     
1 1 1 19 6  39 o 28.9969 5.37002 2.00973      0.806158  2.59086      0.836979  22.3231     150.153     15.7763     330.153     
1 1 1 19 6  40 o 14.2296 4.50747 -0.294491    0.707729  0.55334      0.709352  10.7542     197.785     0.0946774   17.7849     
1 1 1 19 6  41 o 14.8679 4.48817 -0.99444     0.774717  1.02907      0.690678  6.27089     91.2218     15.4102     271.222     
1 1 1 19 6  42 o 14.8122 4.71082 -0.170526    0.791949  0.727602     0.774078  7.34795     212.888     12.6305     32.8877     
1 1 1 19 6  43 o 28.2788 5.06513 4.05756      0.905262  0.950868     1.03259   33.1906     61.851      10.2747     61.851      
1 1 1 19 6  44 f 12.7506 4.2118  0.698172     0.769239  -1.00382     0.638774  6.76362     177.496     0           0           
1 1 1 19 6  45 o 17.0589 4.87038 0.045562     0.759537  1.48262      0.735814  9.31536     42.1411     5.16402     42.1411     
1 1 1 19 6  46 o 15.9748 4.95308 0.244739     0.811484  1.18785      0.814688  8.92186     96.2257     4.3658      96.2257     
1 1 1 19 6  47 o 16.0946 5.19162 1.02354      0.965374  0.824322     0.95548   6.6378      181.751     3.70995     181.751     
1 1 1 19 6  48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 7  0  o 28.2607 5.97257 1.84115      0.761777  1.84115      0.761777  27.2856     270         11.6737     90          
1 1 1 19 7  1  o 15.634  4.56223 -0.315214    0.616001  0.458778     0.639024  8.12656     63.6591     44.4815     63.6591     
1 1 1 19 7  2  o 41.6215 4.0158  3.9033       0.871272  2.78401      0.80554   27.9031     163.366     39.2482     343.366     
1 1 1 19 7  3  o 53.3385 3.38939 4.87738      0.919735  5.86878      0.928241  58.1566     253.847     6.6065      73.847      
1 1 1 19 7  4  o 18.7904 4.61864 0.903507     0.579249  0.237398     0.57498   8.16933     195.681     9.91107     15.6813     
1 1 1 19 7  5  o 32.0616 4.28144 2.26529      0.699332  1.7602       0.670631  37.627      343.792     24.9436     343.792     
1 1 1 19 7  6  o 92.9761 2.72361 16.7644      1.3137    15.4354      1.30451   120.903     269.774     23.3261     269.774     
1 1 1 19 7  7  o 54.7529 3.20023 5.80853      0.905795  5.47536      0.894207  83.8303     190.236     44.1952     190.236     
1 1 1 19 7  8  o 62.884  3.08544 7.1357       1.0241    7.71178      0.970463  56.6829     349.479     33.0599     169.479     
1 1 1 19 7  9  o 46.2409 3.50126 3.97636      0.848287  4.14907      0.801544  55.7896     240.669     7.30267     240.669     
1 1 1 19 7  10 o 16.0578 4.40772 0.739508     0.609198  -0.420858    0.565393  0.548373    8.30708     27.3904     8.30707     
1 1 1 19 7  11 o 23.6809 4.93255 0.889795     0.653841  1.318        0.653772  16.2711     332.779     13.4234     152.779     
1 1 1 19 7  12 o 62.2825 3.23549 6.8445       1.03441   7.82126      1.03629   72.3484     98.8079     1.05256     98.808      
1 1 1 19 7  13 f 71.3955 2.93313 10.251       1.09231   8.92474      1.06684   85.3539     34.8849     0           0           
1 1 1 19 7  14 o 72.2584 3.07226 10.0187      1.1123    9.67291      1.17597   82.6835     303.513     2.05523     123.513     
1 1 1 19 7  15 o 72.4209 2.99833 9.16819      1.08119   10.6405      1.15985   84.3059     220.417     1.00507     220.416     
1 1 1 19 7  16 o 12.5368 3.72547 0.513725     0.536522  -1.66573     0.505494  1.15246     238.112     17.5622     238.112     
1 1 1 19 7  17 o 40.476  3.97667 2.16097      0.757301  4.44439      0.789636  48.5493     220.703     7.00424     220.703     
1 1 1 19 7  18 o 64.2737 3.29189 7.28637      1.08679   8.53354      1.08574   67.2073     1.01511     13.5352     181.015     
1 1 1 19 7  19 o 17.4101 4.76561 0.263656     0.612461  0.601247     0.625122  12.201      87.0944     4.23081     267.094     
1 1 1 19 7  20 o 85.4969 3.16707 15.0407      1.34676   12.954       1.43479   99.1606     26.0923     1.19928     26.0923     
1 1 1 19 7  21 o 42.5136 3.99972 3.11177      0.839153  4.10267      0.867783  58.4857     238.37      22.2342     238.37      
1 1 1 19 7  22 o 32.4953 4.83347 1.95364      0.794982  2.46361      0.782459  23.402      131.419     25.5162     311.419     
1 1 1 19 7  23 o 16.2299 4.64254 0.450765     0.631757  0.166727     0.585047  7.66605     218.06      16.8708     38.0597     
1 1 1 19 7  24 o 33.36   4.45763 3.00211      0.781879  1.6671       0.700239  47.958      157.608     23.8787     157.608     
1 1 1 19 7  25 o 35.1738 4.15777 3.13703      0.750699  1.96205      0.697669  40.9305     258.301     4.18924     258.301     
1 1 1 19 7  26 o 22.4921 4.82167 0.617812     0.645603  1.49049      0.643637  23.4043     320.44      0.467188    320.44      
1 1 1 19 7  27 o 15.9035 4.74989 0.151934     0.693573  0.271077     0.65366   6.00143     148.526     19.7444     328.526     
1 1 1 19 7  28 o 33.3592 4.93877 2.16402      0.83986   2.69308      0.813645  24.6337     221.356     24.049      41.3561     
1 1 1 19 7  29 o 26.8361 4.8586  1.79986      0.698985  1.38529      0.66385   29.1966     354.485     1.76526     354.485     
1 1 1 19 7  30 o 20.2125 4.92823 0.26174      0.648786  1.38352      0.70629   17.1463     142.202     6.51151     322.202     
1 1 1 19 7  31 o 26.2025 5.37226 1.57802      0.782942  1.63019      0.761705  24.6699     72.564      5.65287     252.564     
1 1 1 19 7  32 o 11.7202 3.87787 0.0941752    0.65792   -1.14594     0.532825  1.73867     250.636     0.00703407  250.636     
1 1 1 19 7  33 o 21.5642 5.18089 1.28813      0.717677  0.8905       0.675442  19.3126     214.763     5.21145     34.7632     
1 1 1 19 7  34 f 19.7022 4.97242 1.24692      0.681729  0.480872     0.655745  13.3352     268.131     0           0           
1 1 1 19 7  35 o 13.7328 4.30266 -0.522404    0.641838  0.401798     0.635765  9.72825     302.301     4.91447     122.301     
1 1 1 19 7  36 o 10.063  3.46679 -0.15951     0.60853   -1.78828     0.552868  4.45069     80.3813     4.81219     260.381     
1 1 1 19 7  37 o 23.3931 5.31183 1.77501      0.761653  1.17753      0.719729  28.2362     72.7935     10.2051     72.7935     
1 1 1 19 7  38 o 21.7198 4.98902 0.467539     0.736104  1.95574      0.730747  17.5793     241.468     8.75416     61.4681     
1 1 1 19 7  39 o 20.1404 5.26827 0.576679     0.799212  1.63997      0.770763  22.653      187.035     9.18477     187.035     
1 1 1 19 7  40 f 20.1499 5.75773 0.992709     0.89403   1.64889      0.978249  2.921       22.8303     0           0           
1 1 1 19 7  41 o 15.292  4.78537 1.22717      0.878494  -0.563117    0.68814   13.0437     357.015     2.87309     357.015     
1 1 1 19 7  42 o 27.7059 5.95471 2.81271      0.984364  2.34988      0.877654  28.7719     124.208     2.31699     124.208     
1 1 1 19 7  43 o 18.6739 5.21623 1.26167      0.760294  1.01507      0.734806  16.8953     349.608     10.0176     349.608     
1 1 1 19 7  44 o 18.4419 4.96149 0.203186     0.746794  1.77942      0.752642  17.7013     107.437     5.91479     107.437     
1 1 1 19 7  45 o 14.5144 4.5844  0.210547     0.707253  0.643754     0.712987  8.79183     343.609     2.09338     343.609     
1 1 1 19 7  46 o 10.644  3.71309 -1.05703     0.733526  -0.467257    0.740007  3.44518     132.177     2.86524     312.177     
1 1 1 19 7  47 o 20.6135 5.41342 0.484442     0.954839  2.67421      0.90596   20.1698     288.537     2.85218     288.537     
1 1 1 19 7  48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 8  0  o 51.3765 3.24218 5.00031      0.846879  5.00031      0.846879  71.6066     90          21.2262     90          
1 1 1 19 8  1  o 51.5079 3.30625 5.4766       0.895281  4.55479      0.848618  42.6206     290.892     33.6445     110.892     
1 1 1 19 8  2  o 49.144  3.32194 4.47039      0.847423  4.65354      0.823353  42.7326     180.173     27.4892     0.172521    
1 1 1 19 8  3  o 49.7411 3.24862 5.30901      0.837381  4.06631      0.809597  54.1929     16.1473     5.2921      196.147     
1 1 1 19 8  4  o 17.511  4.73396 0.500275     0.598796  0.348959     0.602451  0.750004    239.964     29.4074     59.964      
1 1 1 19 8  5  o 37.4718 4.03465 2.74765      0.764609  2.68116      0.753361  44.4096     132.554     7.33239     132.554     
1 1 1 19 8  6  o 39.7609 4.08342 2.99619      0.743081  3.11485      0.885902  53.6364     157.923     21.5808     157.923     
1 1 1 19 8  7  o 28.9923 4.46598 2.55383      0.681437  0.862716     0.672216  29.4234     38.5899     0.0775573   218.592     
1 1 1 19 8  8  o 51.0604 3.43461 5.82445      0.87451   4.13645      0.893212  48.5481     237.388     19.9689     57.3884     
1 1 1 19 8  9  o 36.8115 4.33528 3.89884      0.760931  1.61486      0.764934  23.136      195.699     36.2744     15.6985     
1 1 1 19 8  10 o 127.395 2.61013 30.6292      1.72307   29.9007      1.72042   164.454     294.772     30.154      294.772     
1 1 1 19 8  11 o 30.0725 4.47587 2.23704      0.684698  1.39463      0.671073  17.9106     8.43967     29.6277     188.44      
1 1 1 19 8  12 o 14.8723 4.39016 0.241273     0.566803  -0.0114656   0.568919  8.25381     43.7998     43.8585     43.7998     
1 1 1 19 8  13 o 14.4129 4.23266 -0.407795    0.566407  0.418231     0.548555  5.87574     304.865     37.3365     304.865     
1 1 1 19 8  14 o 68.0038 2.98495 9.63355      1.06264   7.87454      1.0262    80.1492     344.07      3.46407     344.07      
1 1 1 19 8  15 f 49.3974 3.34476 4.42242      0.844149  4.92399      0.845597  60.4229     196.546     0           0           
1 1 1 19 8  16 o 12.133  3.81668 -0.821262    0.522953  0.16374      0.517947  4.26885     156.569     27.8409     156.569     
1 1 1 19 8  17 o 28.7439 4.53826 2.15165      0.673043  1.24615      0.659093  35.7204     158.557     12.1436     158.557     
1 1 1 19 8  18 o 22.6213 4.74093 1.61077      0.683923  0.454855     0.593253  15.1904     118.795     16.9898     298.795     
1 1 1 19 8  19 o 9.26434 3.22175 -0.983311    0.506334  -1.10856     0.571634  1.18403     118.947     8.49823     118.948     
1 1 1 19 8  20 f 15.1438 4.45212 -0.610195    0.618035  0.591823     0.647872  18.2546     35.4525     0           0           
1 1 1 19 8  21 o 55.9469 3.51211 7.06017      1.02662   5.20853      0.975876  75.0377     203.879     23.2422     203.879     
1 1 1 19 8  22 o 31.0088 4.49624 0.74144      0.729558  3.44742      0.757166  28.7886     228.544     10.8388     48.5439     
1 1 1 19 8  23 o 33.7553 4.24222 2.86781      0.736434  1.82972      0.6856    33.3459     244.416     8.19652     64.4163     
1 1 1 19 8  24 o 13.8002 3.9549  0.651118     0.550194  -0.961191    0.514395  9.25445     279.819     4.40123     99.8186     
1 1 1 19 8  25 f 29.6301 4.67692 1.87335      0.704414  1.85049      0.695827  39.5514     95.586      0           0           
1 1 1 19 8  26 o 11.3335 3.73736 -0.324683    0.549234  -0.477667    0.527916  4.44478     258.416     6.33924     78.4159     
1 1 1 19 8  27 o 19.4012 4.83026 1.19794      0.647147  0.124559     0.685385  13.512      136.159     12.6709     316.159     
1 1 1 19 8  28 o 14.3825 4.37557 0.573362     0.686324  -0.753337    0.589625  9.19808     251.048     2.273       251.048     
1 1 1 19 8  29 o 39.4015 4.14497 4.24306      0.823151  2.35737      0.772558  53.0956     123.415     20.6094     123.415     
1 1 1 19 8  30 o 23.5396 4.7424  0.513967     0.682859  1.90268      0.671336  25.2653     123.98      2.40539     123.98      
1 1 1 19 8  31 o 31.5189 4.66627 2.23259      0.744204  2.16178      0.731618  33.2421     119.903     0.973542    299.903     
1 1 1 19 8  32 o 13.3024 4.27058 0.139071     0.665757  -0.534604    0.638458  9.01175     142.138     3.2599      322.138     
1 1 1 19 8  33 o 23.6466 5.37715 0.892695     0.779146  1.83591      0.78695   20.164      355.195     8.61783     175.195     
1 1 1 19 8  34 o 15.2292 4.63532 0.42536      0.716721  0.100846     0.605585  12.6666     305.25      5.85071     305.25      
1 1 1 19 8  35 o 16.9317 4.76867 -0.317925    0.653192  1.19046      0.744673  17.9469     257.534     8.22219     257.534     
1 1 1 19 8  36 f 16.7366 4.7631  1.02219      0.676631  -0.12738     0.71936   8.50456     127.607     0           0           
1 1 1 19 8  37 f 18.501  5.11174 1.16835      0.772937  0.551343     0.659202  4.69522     4.98199     0           0           
1 1 1 19 8  38 o 16.8965 4.58204 1.42114      0.709797  -0.487153    0.633713  10.919      158.546     7.11612     158.546     
1 1 1 19 8  39 o 14.2582 4.57039 0.280369     0.773359  0.0736382    0.681882  10.7685     341.247     0.422838    341.247     
1 1 1 19 8  40 o 14.3421 4.58438 0.244262     0.719373  0.233431     0.736326  7.04097     158.367     12.0316     338.367     
1 1 1 19 8  41 o 18.5208 4.79479 2.17235      0.834305  -0.819659    0.733386  16.3046     254.541     2.27167     74.5409     
1 1 1 19 8  42 o 25.7572 5.75792 2.11448      0.888575  2.37065      0.845427  33.9485     270.875     22.473      270.875     
1 1 1 19 8  43 o 12.3488 4.01088 -1.42447     0.646663  0.686354     0.66342   6.1165      351.097     4.80735     171.097     
1 1 1 19 8  44 o 17.3771 4.74137 -0.0927668   0.715272  1.60435      0.709286  1.43191     301.329     0.900515    301.329     
1 1 1 19 8  45 o 11.741  3.94851 -0.501393    0.67347   0.0783221    0.655221  4.85574     310.527     1.68275     130.527     
1 1 1 19 8  46 o 12.7914 4.27597 0.713446     0.798118  -0.937768    0.741435  4.22038     47.1103     1.05577     47.1103     
1 1 1 19 8  47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 9  0  o 77.4069 2.85344 11.1689      1.13778   11.1689      1.13778   99.216      270         15.4426     270         
1 1 1 19 9  1  o 36.8852 4.06459 2.88063      0.743878  2.40734      0.753927  42.7722     345.098     5.51316     345.098     
1 1 1 19 9  2  o 52.1942 3.44237 4.50914      0.874681  5.86731      0.963216  63.0696     195.205     7.31153     195.205     
1 1 1 19 9  3  o 45.7557 3.52624 4.08938      0.809535  3.88626      0.834507  69.0577     7.82135     38.4742     7.82136     
1 1 1 19 9  4  f 116.246 2.62559 25.3657      1.58169   24.9992      1.57842   130.918     211.677     0           0           
1 1 1 19 9  5  o 13.4126 4.09736 -0.183526    0.537033  0.0915915    0.514942  1.15242     237.754     14.7966     237.754     
1 1 1 19 9  6  o 55.9717 3.15514 5.98259      0.893816  5.84364      0.921138  63.8376     154.822     0.54795     334.822     
1 1 1 19 9  7  o 32.7712 4.19071 3.05738      0.691423  1.30764      0.65601   43.0156     60.639      22.3695     60.639      
1 1 1 19 9  8  o 55.0681 3.15799 4.94664      0.882381  6.57536      0.890362  75.5578     156.64      26.2708     156.64      
1 1 1 19 9  9  o 83.4525 2.74953 12.4951      1.18042   13.6063      1.19055   101.909     239.592     9.99581     239.592     
1 1 1 19 9  10 o 12.8758 3.98272 -0.485663    0.538361  0.154095     0.515109  16.3171     87.2619     56.4396     87.2619     
1 1 1 19 9  11 o 25.1045 4.595   0.672677     0.650302  1.84673      0.632997  25.5705     275.371     3.94523     275.371     
1 1 1 19 9  12 o 23.7136 4.85228 1.27719      0.643966  0.989523     0.621829  5.53505     308.337     39.4808     128.337     
1 1 1 19 9  13 o 52.8198 3.27092 4.71604      0.877986  5.96806      0.884701  74.9158     312.765     30.5636     312.765     
1 1 1 19 9  14 o 19.7615 4.67155 0.272623     0.608468  1.10348      0.595141  13.9164     144.14      4.23957     144.14      
1 1 1 19 9  15 o 36.3558 3.98599 2.78224      0.746338  2.44153      0.707118  44.4022     252.113     8.92649     252.113     
1 1 1 19 9  16 o 15.9763 4.11205 0.95655      0.574328  -0.697446    0.526339  9.02925     263.517     0.662334    83.5166     
1 1 1 19 9  17 o 25.6765 4.72405 1.64981      0.657446  1.08891      0.62541   32.9939     219.237     19.0848     219.237     
1 1 1 19 9  18 o 35.1249 4.73302 1.50424      0.823155  3.75048      0.822136  44.8124     352.684     12.9592     352.684     
1 1 1 19 9  19 o 53.5094 4.088   6.48175      1.15011   4.95212      1.07272   75.1655     233.546     29.5831     233.546     
1 1 1 19 9  20 o 27.5052 5.01846 2.58097      0.829619  0.660199     0.754881  30.1046     31.7178     1.4647      31.7177     
1 1 1 19 9  21 o 15.3954 4.41504 0.0246413    0.566443  0.446317     0.555506  10.5335     336.126     3.52168     336.126     
1 1 1 19 9  22 o 25.9085 4.65021 0.826962     0.646342  2.01894      0.668776  35.3916     221.317     18.0941     221.317     
1 1 1 19 9  23 o 17.9185 4.63727 0.932136     0.610554  0.110264     0.585944  11.7082     86.896      12.8839     266.896     
1 1 1 19 9  24 o 18.9456 4.53416 1.23176      0.617935  0.00840156   0.580546  20.0589     96.3959     4.42672     96.3959     
1 1 1 19 9  25 o 27.9434 4.60356 1.23891      0.667     2.12481      0.662792  37.3036     200.238     16.3431     200.238     
1 1 1 19 9  26 o 16.6046 4.25478 -0.503234    0.583982  1.01861      0.5704    14.4392     189.927     1.93555     9.92725     
1 1 1 19 9  27 o 16.3534 4.63332 0.77139      0.648745  -0.219268    0.636791  13.2365     53.2733     3.60611     233.273     
1 1 1 19 9  28 o 21.1706 5.28581 1.13189      0.73702   0.807381     0.717352  20.5573     77.4379     1.1184      257.438     
1 1 1 19 9  29 o 38.3213 4.05573 2.95202      0.796116  3.19757      0.761796  36.7963     323.991     10.1502     143.991     
1 1 1 19 9  30 o 19.6815 4.78288 1.31324      0.659904  0.260983     0.618907  18.7369     125.521     1.2538      305.521     
1 1 1 19 9  31 o 11.5545 3.84209 -0.330719    0.590199  -0.546229    0.59089   5.3179      197.968     1.30978     17.9683     
1 1 1 19 9  32 o 19.3361 5.17849 0.973121     0.707129  0.648796     0.733018  13.08       64.215      12.9274     244.215     
1 1 1 19 9  33 o 29.4416 5.35962 1.81739      0.80909   2.49256      0.849169  31.4325     228.981     1.06232     228.981     
1 1 1 19 9  34 o 26.6562 5.4697  1.49077      0.804496  2.20512      0.823189  38.6924     158.191     27.3082     158.191     
1 1 1 19 9  35 o 30.5188 5.39988 2.77174      0.939771  2.09973      0.766484  29.0107     194.809     6.16918     14.8094     
1 1 1 19 9  36 o 12.6545 4.09886 0.0928799    0.615303  -0.318598    0.608105  3.12502     230.965     17.6339     50.9649     
1 1 1 19 9  37 o 19.084  5.13098 1.1226       0.718901  0.809607     0.690262  16.3268     98.7785     4.23951     278.779     
1 1 1 19 9  38 o 12.7857 4.07432 -1.25168     0.645586  0.596359     0.641775  8.16699     165.765     1.95731     345.765     
1 1 1 19 9  39 o 13.872  4.47573 0.413097     0.743974  -0.199078    0.695451  7.31793     4.39593     2.66427     4.39593     
1 1 1 19 9  40 o 14.5884 4.26756 -1.13711     0.655104  1.13306      0.655377  11.8189     309.337     3.99795     309.337     
1 1 1 19 9  41 o 12.0619 4.03911 -0.482478    0.71366   0.000663801  0.650919  6.28044     282.783     0.332824    102.783     
1 1 1 19 9  42 o 15.2095 4.75217 0.891695     0.743964  -0.0235876   0.801644  10.7163     273.528     3.43431     273.528     
1 1 1 19 9  43 o 13.8111 4.28382 -1.02048     0.694246  0.981995     0.675487  7.7304      110.796     0.291961    110.796     
1 1 1 19 9  44 o 11.7752 3.97272 -0.265457    0.680955  -0.161771    0.670785  5.09523     48.2755     4.30183     228.275     
1 1 1 19 9  45 o 12.3506 4.16489 -0.157953    0.768153  -0.0302004   0.716052  5.25173     110.241     0.197051    110.241     
1 1 1 19 9  46 o 10.0501 3.51788 -1.15288     0.70689   -0.551469    0.66698   3.45519     333.876     4.86169     153.876     
1 1 1 19 9  47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 10 0  o 75.8632 2.80082 10.7373      1.09451   10.7373      1.09451   88.8956     270         0.671555    90          
1 1 1 19 10 1  o 34.1395 4.03956 1.98365      0.685522  2.58749      0.686373  22.7892     150.277     30.0389     330.277     
1 1 1 19 10 2  o 34.372  3.87239 2.24321      0.661439  2.35115      0.67213   38.881      290.922     4.08358     290.922     
1 1 1 19 10 3  o 33.3641 4.13739 2.05972      0.685541  2.31186      0.692561  17.027      312.373     40.1094     132.373     
1 1 1 19 10 4  o 25.6601 4.4363  1.95995      0.626723  0.694136     0.610138  22.0221     87.1539     7.3407      267.154     
1 1 1 19 10 5  o 52.0457 3.25751 4.45914      0.871693  5.86903      0.848884  71.8884     107.446     26.5158     107.446     
1 1 1 19 10 6  o 78.6038 2.90879 11.4452      1.21748   11.7852      1.14184   83.0468     85.714      16.2237     265.714     
1 1 1 19 10 7  o 47.8636 3.31509 4.42772      0.817718  4.3034       0.806186  70.9342     64.0275     35.7939     64.0275     
1 1 1 19 10 8  o 39.9909 3.81523 3.69722      0.764761  2.55554      0.75357   54.2788     31.2422     21.4708     31.2422     
1 1 1 19 10 9  o 10.7364 3.52628 -0.114318    0.498767  -0.858765    0.473985  12.0538     168.169     40.9232     168.169     
1 1 1 19 10 10 o 39.655  3.89981 3.77398      0.746432  2.4292       0.771212  54.8429     350.288     23.3548     350.288     
1 1 1 19 10 11 o 40.9542 3.73098 3.77852      0.78116   2.77794      0.752815  51.6637     93.2656     12.4926     93.2656     
1 1 1 19 10 12 o 55.1789 3.24242 6.77018      0.920236  4.93451      0.900598  69.0103     30.7822     12.4043     30.7822     
1 1 1 19 10 13 o 37.609  3.91901 2.58652      0.73474   2.9878       0.74479   29.4165     110.832     25.6861     290.832     
1 1 1 19 10 14 o 17.9039 4.59014 0.188874     0.57239   0.837134     0.577009  6.35711     66.9421     22.9439     246.942     
1 1 1 19 10 15 o 38.7568 3.93484 3.62918      0.792676  2.37613      0.72659   39.5949     60.3142     7.56086     240.314     
1 1 1 19 10 16 o 18.4824 4.87537 0.621877     0.636203  0.543296     0.617149  5.84395     333.208     3.02537     333.208     
1 1 1 19 10 17 o 42.4673 4.0104  4.20801      0.887007  3.01732      0.822616  66.7579     200.702     40.4355     200.702     
1 1 1 19 10 18 o 73.2133 3.2884  9.78886      1.24562   10.9186      1.23331   81.2686     28.7954     4.77237     208.795     
1 1 1 19 10 19 o 36.3882 4.73306 3.25385      0.875962  2.26426      0.838022  39.7347     301.314     1.2387      121.314     
1 1 1 19 10 20 o 32.7492 4.71185 2.43754      0.781164  2.04027      0.764372  36.5748     341.002     1.25296     341.002     
1 1 1 19 10 21 o 56.0831 3.33237 5.83627      0.923963  6.41967      0.996093  72.6947     178.342     18.9719     178.342     
1 1 1 19 10 22 o 31.4512 4.46601 1.92595      0.715237  2.19941      0.689414  43.3884     146.446     19.601      146.446     
1 1 1 19 10 23 o 28.962  4.70017 1.68807      0.698892  1.8901       0.683416  28.7875     188.179     5.0482      8.17892     
1 1 1 19 10 24 o 32.4601 4.33762 2.13917      0.718176  2.27274      0.687028  42.5528     174.046     15.3329     174.046     
1 1 1 19 10 25 o 16.8576 4.54606 0.786097     0.590416  0.100305     0.564532  5.15971     161.541     3.1291      161.541     
1 1 1 19 10 26 o 12.3712 3.9885  -0.101083    0.576477  -0.371434    0.558962  6.46857     223.645     5.05364     43.6453     
1 1 1 19 10 27 o 32.6484 5.39445 1.92613      0.722668  3.02279      1.0768    38.916      73.3405     8.26023     73.3405     
1 1 1 19 10 28 o 19.3762 5.25052 1.0805       0.756527  0.299087     0.783297  4.61334     207.252     3.26051     207.252     
1 1 1 19 10 29 o 22.7065 5.18439 1.29208      0.743604  1.08617      0.646301  28.9325     28.9128     16.0198     28.9128     
1 1 1 19 10 30 o 18.2262 4.78172 0.137236     0.65915   1.07328      0.640583  19.7556     184.724     8.72941     184.724     
1 1 1 19 10 31 o 35.1038 4.5844  3.93556      0.864788  1.77169      0.735195  50.642      132.481     27.4373     132.481     
1 1 1 19 10 32 o 23.7093 5.1562  1.31047      0.7108    1.44652      0.683166  19.3938     82.0947     10.3772     262.095     
1 1 1 19 10 33 o 16.9425 4.23763 -0.818616    0.616053  1.33918      0.620573  11.1326     295.492     7.84814     295.492     
1 1 1 19 10 34 o 11.609  3.88458 -0.319323    0.591385  -0.508023    0.652336  7.46851     183.38      1.40241     3.37994     
1 1 1 19 10 35 o 22.2523 5.5334  1.26163      0.791367  1.50293      0.796676  27.9855     115.138     14.5913     115.138     
1 1 1 19 10 36 o 12.5571 4.11807 -0.673508    0.69857   0.141231     0.630048  6.31379     186.313     9.13546     6.31329     
1 1 1 19 10 37 o 24.7625 5.42115 2.08498      0.796418  1.47156      0.756767  32.735      197.334     23.1922     197.334     
1 1 1 19 10 38 o 42.0756 5.02436 4.0854       1.06399   5.20142      1.02514   54.1971     201.158     20.9673     201.158     
1 1 1 19 10 39 o 20.5366 5.39697 1.62929      0.78928   1.01732      0.774661  17.8128     130.978     3.88685     310.978     
1 1 1 19 10 40 o 19.1034 4.82234 0.108288     0.705273  1.83381      0.722233  19.5657     122.714     4.27902     122.714     
1 1 1 19 10 41 o 16.6891 4.72362 -0.319403    0.749692  1.45669      0.716377  14.3108     75.1735     6.56331     75.1735     
1 1 1 19 10 42 o 16.1405 4.86577 0.0444713    0.761655  1.2403       0.76791   11.3659     215.205     4.52867     35.2051     
1 1 1 19 10 43 o 15.3824 4.82591 0.46271      0.750177  0.725989     0.784506  9.55358     267.848     3.36851     267.848     
1 1 1 19 10 44 o 17.8578 5.174   0.801452     0.806015  1.4106       0.767575  15.1219     212.836     0.786415    32.8358     
1 1 1 19 10 45 o 13.4097 4.42876 0.266342     0.779033  0.187887     0.741932  8.99362     94.3424     1.05115     274.342     
1 1 1 19 10 46 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 11 0  o 77.2389 2.81601 11.1463      1.12058   11.1463      1.12058   97.5655     90          14.4146     90          
1 1 1 19 11 1  o 69.5421 2.90802 8.45718      1.03208   9.79224      1.05195   82.9622     170.393     5.79019     170.393     
1 1 1 19 11 2  o 57.1364 3.04755 5.65282      0.883516  6.72879      0.904388  83.6479     252.976     38.0176     252.976     
1 1 1 19 11 3  o 64.4021 2.93804 7.69144      0.974505  7.96519      0.976453  89.8313     194.073     32.4697     194.073     
1 1 1 19 11 4  o 15.9535 4.25511 0.733109     0.544811  -0.187322    0.509715  6.06128     163.479     6.63126     343.479     
1 1 1 19 11 5  o 14.5849 4.18954 0.455058     0.529995  -0.204668    0.511776  3.55523     207.816     7.21569     27.816      
1 1 1 19 11 6  o 28.1982 4.38001 1.4789       0.628059  1.72173      0.618069  33.4265     250.41      10.2191     250.41      
1 1 1 19 11 7  o 24.9114 4.57705 1.33353      0.596851  1.18581      0.597032  14.0941     22.675      24.7243     202.675     
1 1 1 19 11 8  o 52.4388 3.19545 4.77951      0.853221  5.73802      0.861304  64.4866     9.09075     9.95157     9.09075     
1 1 1 19 11 9  o 52.284  3.24617 6.36019      0.875755  4.20436      0.84016   62.594      179.398     6.43804     179.398     
1 1 1 19 11 10 o 56.5331 3.12869 5.4474       0.896183  6.78235      0.915531  72.1266     22.9568     15.5818     22.9568     
1 1 1 19 11 11 o 50.848  3.40308 3.91043      0.860226  6.17444      0.871577  58.8434     69.4499     2.28087     69.45       
1 1 1 19 11 12 o 12.2903 3.86053 0.169625     0.527979  -0.724673    0.5191    1.17394     286.739     15.6701     106.739     
1 1 1 19 11 13 o 41.7709 3.88381 2.7634       0.805747  4.18437      0.797152  37.5304     65.2886     19.1153     245.289     
1 1 1 19 11 14 o 71.7694 3.18513 8.94031      1.1546    10.8759      1.19796   89.8828     39.6057     15.6852     39.6057     
1 1 1 19 11 15 o 32.8934 4.81291 2.47047      0.805905  2.03707      0.781948  38.1792     306.238     4.65156     306.238     
1 1 1 19 11 16 o 17.6928 4.49627 1.14139      0.652874  -0.451774    0.599152  8.00979     147.396     20.0064     327.396     
1 1 1 19 11 17 o 43.9238 3.84168 4.42256      0.846689  3.26082      0.844433  60.4522     164.048     22.9487     164.048     
1 1 1 19 11 18 o 40.6513 3.83814 3.07002      0.792855  3.50854      0.779098  56.4088     225.093     22.6938     225.093     
1 1 1 19 11 19 o 33.4767 4.55974 1.75703      0.784374  2.9372       0.725168  32.9522     160.13      7.94969     340.13      
1 1 1 19 11 20 o 43.581  4.0243  3.65807      0.897255  3.99572      0.87381   47.3798     325.105     2.56179     145.105     
1 1 1 19 11 21 o 31.7511 4.39677 3.66331      0.742761  0.8174       0.709565  30.9929     152.677     7.48366     332.677     
1 1 1 19 11 22 o 16.2925 4.59146 0.597863     0.578848  0.0480623    0.630939  14.6549     190.82      2.63829     190.82      
1 1 1 19 11 23 o 26.5278 4.97694 1.60576      0.670975  1.48747      0.722877  26.2679     136.89      3.74956     316.89      
1 1 1 19 11 24 o 50.7867 3.5076  5.8742       0.975517  4.47947      0.847632  68.2441     160.087     24.1216     160.087     
1 1 1 19 11 25 o 17.7362 4.8524  0.555282     0.657689  0.556989     0.612103  6.38305     48.0544     23.4451     228.054     
1 1 1 19 11 26 o 13.4141 4.19948 -0.136439    0.596148  0.0538449    0.563953  6.43917     12.7773     10.9059     192.777     
1 1 1 19 11 27 o 17.361  4.82071 0.434126     0.596277  0.628184     0.671667  12.6604     9.41513     8.26534     189.415     
1 1 1 19 11 28 o 12.0604 3.97464 -0.921819    0.651601  -0.0713165   0.607369  6.35277     80.3968     4.85834     260.397     
1 1 1 19 11 29 o 14.9052 4.32665 -0.727589    0.67951   0.706326     0.577917  11.8603     90.4574     2.54967     270.457     
1 1 1 19 11 30 o 16.0876 4.5637  0.0889217    0.596632  0.70624      0.604809  11.3684     194.716     8.18506     14.7164     
1 1 1 19 11 31 o 16.9404 4.72953 0.23875      0.639225  0.805672     0.626182  17.0168     262.959     3.64296     262.959     
1 1 1 19 11 32 o 21.6983 5.15238 1.29806      0.697346  1.05806      0.674106  22.2229     114.48      1.06104     114.48      
1 1 1 19 11 33 o 16.251  4.7018  0.323698     0.641719  0.666497     0.631728  13.7872     140.69      3.07043     320.69      
1 1 1 19 11 34 o 16.5196 4.66129 -0.0910286   0.662928  1.02002      0.655673  16.9962     113.115     5.94292     113.115     
1 1 1 19 11 35 o 13.3008 4.16183 0.629613     0.63638   -1.06256     0.648494  3.50145     332.228     1.54097     332.228     
1 1 1 19 11 36 o 20.4048 5.38744 1.92905      0.864441  0.397408     0.817437  23.1307     190.955     10.5697     190.955     
1 1 1 19 11 37 o 11.1595 3.8184  -0.743087    0.729453  -0.460146    0.630386  4.64909     6.46363     7.03948     186.464     
1 1 1 19 11 38 o 19.8144 5.37514 1.13059      0.784578  1.31254      0.768765  22.0226     144.349     10.4134     144.349     
1 1 1 19 11 39 o 11.4594 3.85451 -0.524704    0.636676  -0.107728    0.624108  5.99612     324.229     3.77726     144.229     
1 1 1 19 11 40 o 18.637  5.15416 1.15186      0.735929  1.06048      0.708344  18.7931     219.152     9.03762     219.152     
1 1 1 19 11 41 o 16.5542 4.96779 1.22654      0.801256  0.352754     0.708728  11.1193     47.4892     5.13364     47.4892     
1 1 1 19 11 42 o 14.1944 4.51532 0.0727771    0.680056  0.615286     0.723058  5.34085     220.261     1.62077     220.261     
1 1 1 19 11 43 o 11.3038 3.84848 -0.227535    0.688702  -0.411879    0.641055  4.45673     354.178     5.80538     174.178     
1 1 1 19 11 44 f 14.3256 4.62637 0.644854     0.770699  0.254114     0.767584  5.03373     146.053     0           0           
1 1 1 19 11 45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 12 0  o 45.2638 3.42364 3.95381      0.78013   3.95381      0.78013   71.0751     270         36.8756     270         
1 1 1 19 12 1  o 57.9129 3.06535 5.49011      0.899226  7.3296       0.913424  77.8382     337.843     24.0389     337.843     
1 1 1 19 12 2  o 86.5286 2.76631 14.8504      1.24506   13.3957      1.22826   103.805     290.266     8.07316     290.266     
1 1 1 19 12 3  o 46.7482 3.25518 4.31076      0.787935  4.06993      0.769145  50.8331     347.158     4.0376      167.158     
1 1 1 19 12 4  o 69.1038 2.92868 9.00402      1.04089   9.09252      1.04762   97.623      264.603     37.2675     264.603     
1 1 1 19 12 5  o 31.6476 4.1615  2.65365      0.666372  1.42619      0.637764  28.7591     4.44265     11.8563     184.443     
1 1 1 19 12 6  o 17.2104 4.48914 0.753063     0.562054  0.156844     0.537145  7.13053     102.917     18.6259     282.917     
1 1 1 19 12 7  o 20.621  4.47944 0.233771     0.577864  1.34554      0.588052  4.76112     183.889     34.0389     3.88884     
1 1 1 19 12 8  o 18.1664 4.62664 0.554297     0.546877  0.616132     0.566303  3.07972     126.392     31.0666     306.392     
1 1 1 19 12 9  o 29.3744 4.45025 2.13499      0.68686   1.41574      0.632791  29.8405     319.003     3.71322     139.003     
1 1 1 19 12 10 o 28.8578 4.56509 2.15472      0.690877  1.30471      0.652374  27.1307     307.011     8.20308     127.011     
1 1 1 19 12 11 o 49.2155 3.51441 3.86028      0.870648  5.64229      0.864679  58.0544     355.008     4.96587     355.008     
1 1 1 19 12 12 o 16.4349 4.41434 0.858093     0.605897  -0.309174    0.558708  12.6092     146.947     0.837618    146.947     
1 1 1 19 12 13 o 69.6069 3.26014 10.267       1.19302   8.4599       1.14182   89.5909     29.3039     20.7109     29.3039     
1 1 1 19 12 14 o 59.7432 3.27546 6.80217      0.99297   6.9964       1.01996   74.2957     44.8508     13.1476     44.8508     
1 1 1 19 12 15 o 7.60075 2.68377 -1.05783     0.420283  -1.16548     0.445993  2.15787     49.7713     10.9254     49.7713     
1 1 1 19 12 16 o 35.684  4.29555 3.04598      0.77374   2.17163      0.749026  29.928      277.285     19.638      97.2847     
1 1 1 19 12 17 o 19.9419 4.92035 0.887214     0.602178  0.6494       0.660506  22.493      156.247     8.49448     156.247     
1 1 1 19 12 18 o 15.5412 4.50177 0.387826     0.57047   0.105784     0.597212  5.07365     33.7401     20.9236     213.74      
1 1 1 19 12 19 o 13.4801 4.23458 -0.22933     0.668     0.0107822    0.5254    8.51889     303.548     3.2778      123.548     
1 1 1 19 12 20 o 26.1597 4.74322 0.52669      0.784617  2.33407      0.692273  29.6925     29.2572     4.43908     29.2572     
1 1 1 19 12 21 o 13.2667 4.16892 0.101776     0.600844  -0.304956    0.557966  6.82725     234.849     9.19035     54.8492     
1 1 1 19 12 22 o 28.6221 4.81896 1.3443       0.719025  2.25479      0.714542  32.4621     297.573     4.21993     297.573     
1 1 1 19 12 23 o 17.7356 4.79204 0.59492      0.63447   0.536647     0.592667  17.2645     149.677     2.82663     149.677     
1 1 1 19 12 24 o 14.6407 4.32615 0.441395     0.582852  -0.0830946   0.53859   8.826       270.96      2.98243     270.96      
1 1 1 19 12 25 f 18.5472 4.7828  0.910464     0.622581  0.452955     0.592394  12.1702     178.638     0           0           
1 1 1 19 12 26 o 17.8562 4.65338 0.240235     0.58916   0.93895      0.601536  16.2754     169.892     9.35242     169.892     
1 1 1 19 12 27 f 19.2534 4.89169 0.564892     0.632966  0.998137     0.632662  18.2441     233.601     0           0           
1 1 1 19 12 28 o 29.0004 5.29253 2.82606      0.887781  1.29281      0.7809    11.9297     216.892     38.303      36.8918     
1 1 1 19 12 29 o 12.1835 3.90412 -1.12862     0.671373  0.214743     0.527099  7.3351      231.589     4.94858     51.5889     
1 1 1 19 12 30 o 17.518  4.74371 0.981634     0.646428  0.230518     0.611335  16.7028     155.29      0.321218    155.29      
1 1 1 19 12 31 o 12.9897 4.08813 -0.484973    0.573775  0.333357     0.584754  2.25091     342.082     1.04572     342.082     
1 1 1 19 12 32 o 12.1121 3.95097 -0.031225    0.603952  -0.316497    0.55024   4.72026     138.128     12.7565     318.128     
1 1 1 19 12 33 o 16.3154 4.73867 0.5306       0.660432  0.540391     0.625059  16.0742     215.999     7.67435     215.999     
1 1 1 19 12 34 o 20.2736 4.99101 1.62365      0.713996  0.514995     0.6697    18.998      177.139     1.47259     357.139     
1 1 1 19 12 35 o 19.0251 4.7192  1.80883      0.73275   -0.188034    0.670901  20.5378     304.407     7.19866     304.407     
1 1 1 19 12 36 o 13.2039 4.15703 -0.424383    0.630783  0.469843     0.587749  7.63673     235.362     6.92429     55.3621     
1 1 1 19 12 37 o 23.1758 5.64554 1.30667      0.765828  2.19426      0.897013  27.8338     260.956     12.919      260.956     
1 1 1 19 12 38 o 13.0677 4.30247 0.489906     0.780397  -0.539248    0.6318    8.7135      141.601     0.612674    141.601     
1 1 1 19 12 39 o 18.5508 5.09586 0.834144     0.739963  1.29541      0.698716  18.178      270.043     9.75096     270.043     
1 1 1 19 12 40 o 15.1416 4.55545 -0.172984    0.6909    1.02541      0.674524  9.50678     100.6       6.49667     280.6       
1 1 1 19 12 41 f 14.3836 4.54325 -0.0824529   0.713919  0.748656     0.713876  4.53761     167.985     0           0           
1 1 1 19 12 42 o 12.2709 4.04635 0.482133     0.678852  -0.642598    0.610843  5.37287     110.584     0.522595    290.584     
1 1 1 19 12 43 o 11.1699 3.79547 -0.758415    0.653603  0.0638371    0.647756  4.60926     355.156     1.86483     175.156     
1 1 1 19 12 44 o 12.7811 4.18769 0.836387     0.736591  -0.96034     0.649348  7.55643     214.541     1.49914     214.541     
1 1 1 19 13 0  o 41.1583 3.62816 3.32215      0.741617  3.32215      0.741617  52.7465     270         10.3808     270         
1 1 1 19 13 1  o 61.3846 2.98825 7.18675      0.94248   7.18256      0.947582  71.2673     210.065     2.62669     210.065     
1 1 1 19 13 2  o 44.3305 3.58463 2.64454      0.752889  5.21264      0.789407  52.4167     177.525     5.35945     177.525     
1 1 1 19 13 3  o 14.2586 4.18314 0.151387     0.508949  0.159206     0.506032  6.54611     89.8037     8.06392     269.804     
1 1 1 19 13 4  o 17.6984 4.41778 0.821957     0.529586  0.25053      0.523346  8.20524     157.435     18.6403     337.435     
1 1 1 19 13 5  o 52.3401 3.27901 5.45571      0.889335  5.11183      0.871262  50.488      208.987     17.8905     28.9873     
1 1 1 19 13 6  o 21.7642 5.06845 0.901571     0.618665  1.01015      0.706519  17.6269     74.4083     9.09648     254.408     
1 1 1 19 13 7  f 41.694  4.17228 4.17528      0.821017  2.83016      0.883024  36.4827     267.297     0           0           
1 1 1 19 13 8  o 20.4186 4.98062 0.878137     0.583502  0.723226     0.709085  15.6842     99.1025     9.85579     279.103     
1 1 1 19 13 9  o 21.0168 5.08951 0.966149     0.63582   0.764164     0.710126  16.0719     54.6666     10.8828     234.667     
1 1 1 19 13 10 o 20.3946 4.82568 1.26549      0.630222  0.161153     0.709076  16.8321     349.765     7.68539     169.765     
1 1 1 19 13 11 o 27.3107 4.83895 2.15213      0.666842  0.956776     0.778958  29.2341     89.6158     0.117415    89.6158     
1 1 1 19 13 12 o 67.1886 3.59164 8.49339      1.06399   9.13896      1.40192   91.2128     8.99063     30.2689     8.99062     
1 1 1 19 13 13 o 16.1179 4.62896 0.356103     0.567194  0.233142     0.647012  8.48752     336.634     14.8306     156.634     
1 1 1 19 13 14 o 14.561  4.41542 0.225905     0.578927  -0.138256    0.632092  10.632      197.986     1.96879     17.9865     
1 1 1 19 13 15 o 51.2323 3.27868 4.97181      0.879327  5.24807      0.840694  59.9043     19.2937     4.8383      19.2937     
1 1 1 19 13 16 o 11.7649 3.76558 -0.708481    0.547743  0.0497301    0.491427  5.11333     359.839     3.38516     179.839     
1 1 1 19 13 17 o 36.4626 3.96314 2.84429      0.73963   2.55453      0.710293  46.2393     157.304     12.7447     157.304     
1 1 1 19 13 18 o 14.1503 4.09856 0.546852     0.535213  -0.425665    0.517511  7.91139     242.605     9.97991     62.6053     
1 1 1 19 13 19 o 52.7226 3.32142 5.98056      0.907415  5.00357      0.884463  75.858      89.0698     34.9296     89.0698     
1 1 1 19 13 20 o 21.4261 5.03513 0.704746     0.678348  1.23453      0.660718  18.7032     344.166     6.3541      164.166     
1 1 1 19 13 21 o 22.5163 4.83772 0.648552     0.628861  1.54601      0.661962  21.3227     42.3526     3.57181     222.353     
1 1 1 19 13 22 o 16.5531 4.50261 0.739963     0.576059  0.116822     0.557179  8.0551      320.624     4.61481     320.624     
1 1 1 19 13 23 f 10.2277 3.43677 -0.684276    0.52202   -0.374567    0.476719  16.2548     295.684     0           0           
1 1 1 19 13 24 o 15.3633 4.46526 0.39747      0.601278  0.212744     0.541305  12.4844     278.009     3.49995     278.009     
1 1 1 19 13 25 o 10.2476 3.46776 -0.470451    0.531719  -0.707864    0.51462   1.44543     264.854     1.02104     84.8537     
1 1 1 19 13 26 o 12.1122 3.91043 -0.14334     0.572795  -0.225944    0.517391  6.85914     282.805     1.41507     102.805     
1 1 1 19 13 27 o 15.6387 4.50013 0.213905     0.5839    0.518869     0.574361  10.8304     325.018     5.9192      325.018     
1 1 1 19 13 28 o 17.1683 4.99539 0.489132     0.740813  0.546715     0.692268  17.4231     358.725     4.98961     358.725     
1 1 1 19 13 29 o 18.0195 5.01572 0.436743     0.784306  0.85832      0.639005  16.9947     215.372     0.290632    35.372      
1 1 1 19 13 30 o 20.6608 4.81457 1.64494      0.680851  0.358643     0.652942  25.8765     218.02      13.6244     218.02      
1 1 1 19 13 31 o 16.0896 4.13175 1.35938      0.636259  -1.16097     0.578867  17.1786     130.442     7.48822     130.442     
1 1 1 19 13 32 o 15.7898 4.65763 0.543276     0.651854  0.390292     0.616802  10.2554     307.389     9.48336     127.389     
1 1 1 19 13 33 o 19.8442 5.18291 1.32298      0.737347  0.818519     0.687942  22.732      160.108     11.4014     160.108     
1 1 1 19 13 34 o 19.8147 4.52423 -0.241271    0.656426  1.98225      0.705851  16.6343     294.666     5.26138     114.666     
1 1 1 19 13 35 o 12.7311 4.08501 0.427924     0.632287  -0.501917    0.573261  6.40818     6.90097     8.5998      186.901     
1 1 1 19 13 36 o 9.65673 3.35968 -0.766801    0.613302  -0.843855    0.561868  2.68043     334.339     6.5449      154.339     
1 1 1 19 13 37 o 19.7772 5.06425 0.517189     0.749614  1.76638      0.732842  18.5893     19.6913     0.0863198   19.691      
1 1 1 19 13 38 o 16.3155 4.9103  1.0105       0.72237   0.339968     0.791924  12.948      190.728     1.86665     10.7276     
1 1 1 19 13 39 o 12.4952 4.19856 -0.371769    0.728968  0.0444383    0.751329  5.93376     265.416     4.74096     85.4163     
1 1 1 19 13 40 o 16.3919 4.93227 0.638735     0.835944  0.871508     0.670743  12.5664     48.2174     4.41345     48.2174     
1 1 1 19 13 41 o 11.9843 4.0358  -0.472224    0.710184  0.0642112    0.685266  4.88125     224.479     0.964696    44.4791     
1 1 1 19 13 42 o 18.4504 4.34585 2.39712      0.756312  -1.05913     0.649661  11.8821     340.449     8.54459     340.449     
1 1 1 19 13 43 o 13.9856 4.40813 -0.700684    0.666782  1.13179      0.743846  7.54033     61.2369     3.31413     61.2369     
1 1 1 19 14 0  o 33.7542 4.61094 2.38701      0.720038  2.38701      0.720038  49.3262     270         21.2002     270         
1 1 1 19 14 1  o 10.6104 3.48602 -0.343011    0.462811  -0.366827    0.460634  1.67331     41.234      6.38447     221.234     
1 1 1 19 14 2  o 68.5818 3.17489 8.7777       1.11712   9.31832      1.12725   86.8108     258.374     17.8654     258.373     
1 1 1 19 14 3  o 30.1904 4.91263 1.53077      0.687159  2.33362      0.826737  41.8872     3.67156     20.8468     3.67156     
1 1 1 19 14 4  o 30.2305 4.72623 0.998615     0.669011  2.98095      0.83258   30.0281     144.376     5.74676     324.376     
1 1 1 19 14 5  o 36.5508 5.14171 2.70476      0.857873  2.91916      1.02066   42.3418     280.823     4.29387     280.823     
1 1 1 19 14 6  o 72.413  3.84283 10.2896      1.31761   10.323       1.53515   84.7221     351.925     5.00435     351.925     
1 1 1 19 14 7  o 16.1215 4.71889 -0.0243994   0.64734   0.455323     0.662249  6.79783     147.777     18.3969     327.777     
1 1 1 19 14 8  o 33.2694 5.14567 2.07149      0.884971  2.63057      0.843155  47.892      303.891     24.9478     303.891     
1 1 1 19 14 9  o 13.8673 4.30968 -0.237875    0.582242  0.104294     0.62085   6.0214      241.873     1.29371     241.873     
1 1 1 19 14 10 o 43.8007 4.15316 3.69572      0.894866  4.03048      0.94371   57.6984     234.698     18.1357     234.698     
1 1 1 19 14 11 o 31.7659 4.94382 2.79099      0.804584  1.53641      0.799159  32.901      23.2318     3.4181      203.232     
1 1 1 19 14 12 o 24.4868 5.13916 1.25783      0.686054  1.31442      0.712817  4.83287     86.3295     43.6358     266.329     
1 1 1 19 14 13 o 27.039  5.10981 1.53198      0.732367  1.6331       0.728042  31.4495     279.594     6.09014     279.594     
1 1 1 19 14 14 o 12.2034 3.94376 -0.26164     0.553902  -0.272091    0.56061   3.25969     273.119     14.9371     93.1186     
1 1 1 19 14 15 o 51.188  3.65042 4.66193      0.939626  5.79577      0.962471  61.0685     165.797     8.16409     165.797     
1 1 1 19 14 16 o 36.1253 4.52917 3.93011      0.769784  1.72069      0.808147  35.738      12.7313     7.67434     192.731     
1 1 1 19 14 17 o 20.2328 4.85537 0.485189     0.583201  1.2044       0.668735  23.3003     98.5658     12.5597     98.5658     
1 1 1 19 14 18 o 24.7093 4.25057 2.36139      0.646617  0.157249     0.663578  34.5338     30.29       22.4207     30.29       
1 1 1 19 14 19 o 25.6411 4.79469 1.67439      0.670232  1.22223      0.631501  21.6952     168.412     10.8479     348.412     
1 1 1 19 14 20 o 33.2788 4.61576 2.93191      0.791769  1.89508      0.743218  37.1702     326.677     2.89411     326.677     
1 1 1 19 14 21 o 13.2124 4.11973 0.133759     0.573595  -0.192435    0.533863  8.23072     342.487     2.83344     162.487     
1 1 1 19 14 22 o 15.9789 4.49843 0.529708     0.571703  0.254172     0.554573  12.6581     353.665     3.6283      173.665     
1 1 1 19 14 23 o 40.2938 3.90663 3.98017      0.814107  2.82821      0.761196  47.8471     244.23      8.56948     244.23      
1 1 1 19 14 24 o 9.76376 3.33123 -0.807559    0.526394  -0.526478    0.490789  2.61236     109.289     4.53088     289.289     
1 1 1 19 14 25 o 17.8952 4.71727 0.426588     0.611873  0.854781     0.588279  18.649      186.672     4.93867     186.672     
1 1 1 19 14 26 o 12.376  3.9839  -0.129095    0.581085  -0.158636    0.541212  7.30243     206.715     0.887662    206.715     
1 1 1 19 14 27 o 12.8085 4.0654  -0.191627    0.571361  0.0790113    0.558141  5.52592     212.75      12.5104     32.7504     
1 1 1 19 14 28 o 17.7583 5.03854 0.889846     0.74796   0.427934     0.675723  2.26559     297.156     1.64837     297.156     
1 1 1 19 14 29 o 21.2173 5.26979 1.08302      0.804683  1.24277      0.656633  25.7692     223.278     11.6047     223.278     
1 1 1 19 14 30 o 9.67031 3.31596 -0.281645    0.533251  -1.13973     0.505369  3.71616     279.956     5.09122     99.9563     
1 1 1 19 14 31 o 18.3755 4.86733 0.628045     0.641407  1.03147      0.631627  20.1352     185.909     8.43051     185.909     
1 1 1 19 14 32 o 13.8104 4.30509 -0.132196    0.643559  0.409013     0.593055  9.95253     114.687     2.32073     294.687     
1 1 1 19 14 33 o 15.0909 4.63328 0.505274     0.699931  0.276152     0.646111  11.4998     111.475     2.56446     291.475     
1 1 1 19 14 34 o 13.2322 4.23249 0.25271      0.633647  -0.0573161   0.614444  8.77842     195.655     2.96051     15.6548     
1 1 1 19 14 35 o 18.2832 4.96595 0.409022     0.711679  1.40539      0.707148  19.2565     152.952     8.22738     152.952     
1 1 1 19 14 36 o 13.6828 4.39728 0.348978     0.70143   0.0318983    0.661533  9.19165     199.555     3.42758     19.5554     
1 1 1 19 14 37 o 14.9791 4.634   0.253958     0.687323  0.686709     0.694922  9.94978     291.218     5.24523     111.218     
1 1 1 19 14 38 o 14.8712 4.54464 0.181646     0.688798  0.741946     0.636018  9.34435     167.369     2.24172     167.369     
1 1 1 19 14 39 o 14.6497 4.65808 -0.0713769   0.677312  0.894704     0.812657  9.45573     357.72      3.79904     177.72      
1 1 1 19 14 40 o 16.2095 5.15959 0.92746      0.994192  0.734551     0.829556  12.998      40.8671     0.934567    40.8671     
1 1 1 19 14 41 o 18.862  5.53039 1.83055      0.984738  1.12058      0.78268   17.3213     122.462     1.97018     122.462     
1 1 1 19 14 42 o ?       ?       ?            ?         ?            ?         8.47703     318.566     0           0           
1 1 1 19 15 0  o 21.9381 6.16333 1.29345      0.676544  1.29345      0.676544  29.0525     270         8.90566     270         
1 1 1 19 15 1  o 23.6474 5.18772 0.574167     0.714417  1.7454       0.778945  29.8137     198.981     13.3379     198.981     
1 1 1 19 15 2  o 17.8794 4.92365 1.44417      0.939981  -1.10072     0.610343  17.716      92.2399     5.11092     92.2399     
1 1 1 19 15 3  o 29.8405 5.82269 1.78336      1.06529   2.1277       0.826867  35.6147     223.149     7.89475     223.149     
1 1 1 19 15 4  o 22.1884 5.4083  0.407057     0.882581  1.40667      0.7474    18.0582     112.695     10.0111     292.695     
1 1 1 19 15 5  o 41.8757 4.25719 2.98552      0.867453  4.16413      0.912153  58.8769     118.546     25.6447     118.546     
1 1 1 19 15 6  o 56.6973 3.44213 5.23386      1.0292    7.40182      0.916755  73.351      82.2149     19.6165     82.2149     
1 1 1 19 15 7  o 28.1596 4.61836 1.11764      0.727437  2.22994      0.634862  25.5862     82.4055     9.70126     262.406     
1 1 1 19 15 8  o 47.409  3.63343 3.95581      0.907761  4.95762      0.820399  52.3487     14.274      1.05122     194.274     
1 1 1 19 15 9  o 20.1226 4.65798 1.29046      0.644996  0.324758     0.545858  18.9581     9.34337     2.4075      189.343     
1 1 1 19 15 10 o 16.3416 4.57073 0.335287     0.621845  0.425944     0.530029  14.3388     214.666     4.57193     214.666     
1 1 1 19 15 11 o 44.1222 3.88403 3.86603      0.873096  3.97555      0.864783  52.9536     26.5864     8.36642     26.5864     
1 1 1 19 15 12 o 16.8997 4.17415 -0.466769    0.585768  1.03835      0.537706  9.04835     153.297     15.8403     333.297     
1 1 1 19 15 13 o 25.4587 4.76715 1.23295      0.665297  1.5703       0.62261   27.6002     66.5259     2.08925     66.5259     
1 1 1 19 15 14 o 27.1353 4.58593 2.16104      0.704615  1.06702      0.59596   38.0552     345.116     21.6603     345.116     
1 1 1 19 15 15 o 17.2059 4.64413 0.376527     0.61791   0.624143     0.54928   15.769      37.0573     0.467446    37.0573     
1 1 1 19 15 16 o 15.8555 4.38148 -0.109865    0.597903  0.679181     0.533002  13.8519     166.666     2.61916     166.666     
1 1 1 19 15 17 o 22.2929 4.75436 0.625598     0.667578  1.48184      0.605144  14.1913     199.099     18.2231     19.0985     
1 1 1 19 15 18 o 17.134  4.54845 0.978593     0.618341  -0.137812    0.597555  16.5573     282.515     4.3028      282.515     
1 1 1 19 15 19 o 32.5899 4.78014 2.9738       0.781672  1.75441      0.7857    34.6199     220.697     0.353057    40.6968     
1 1 1 19 15 20 o 11.2869 3.73887 -0.494584    0.547772  -0.325721    0.551744  0.515154    165.382     21.4279     165.382     
1 1 1 19 15 21 o 21.9986 5.18707 1.34596      0.690882  0.833892     0.729264  19.8862     137.416     4.714       317.416     
1 1 1 19 15 22 f 16.8357 4.25027 1.19247      0.603642  -0.62904     0.585327  12.7132     178.584     0           0           
1 1 1 19 15 23 o 18.5002 4.70353 1.04166      0.618276  0.39302      0.570513  12.5915     172.608     11.8381     352.608     
1 1 1 19 15 24 o 24.9783 4.55703 2.29644      0.690531  0.637091     0.62183   30.7912     258.363     11.0433     258.363     
1 1 1 19 15 25 o 21.4414 4.95807 1.11375      0.653439  1.08915      0.615776  21.635      236.595     0.482943    236.595     
1 1 1 19 15 26 o 17.9953 4.39291 -0.189672    0.606816  1.31883      0.597983  19.8147     56.3753     6.55191     56.3753     
1 1 1 19 15 27 o 28.9006 4.3492  3.68679      0.759949  0.414645     0.763391  34.8352     288.232     9.79274     288.232     
1 1 1 19 15 28 o 18.7316 4.61592 1.772        0.74403   -0.537251    0.652826  20.0173     328.884     13.9496     328.884     
1 1 1 19 15 29 o 29.1457 4.87942 1.5934       0.733354  2.72244      0.750327  36.2691     272.407     13.2117     272.407     
1 1 1 19 15 30 o 15.496  4.58643 0.68648      0.635237  0.164214     0.627024  11.5562     207.829     4.86891     27.8292     
1 1 1 19 15 31 o 18.6088 5.03421 1.16922      0.709538  0.674435     0.661947  11.9995     292.81      11.9838     112.81      
1 1 1 19 15 32 o 12.9196 4.14175 0.0297318    0.615914  0.076821     0.5833    7.25098     262.738     6.69369     82.7382     
1 1 1 19 15 33 o 14.7847 4.45784 0.835761     0.662628  -0.126528    0.597416  9.8982      315.374     4.43317     315.374     
1 1 1 19 15 34 o 12.3638 3.95117 -0.841452    0.589817  0.513494     0.590301  5.64315     302.074     9.66659     122.074     
1 1 1 19 15 35 f 17.5084 4.83596 0.281673     0.697837  1.35525      0.685162  7.48761     122.88      0           0           
1 1 1 19 15 36 o 11.0897 3.7186  -1.03941     0.622947  0.147225     0.585576  3.95092     338.787     3.5972      158.787     
1 1 1 19 15 37 o 14.5673 4.46608 0.00558871   0.660195  0.779518     0.642182  8.42456     32.6394     6.64423     212.639     
1 1 1 19 15 38 o 20.2725 5.31111 1.36305      0.765768  1.42324      0.720687  21.1765     67.9129     9.26932     67.9129     
1 1 1 19 15 39 o 15.9067 4.78311 0.686378     0.704694  0.795494     0.677602  13.07       251.463     3.27717     251.463     
1 1 1 19 15 40 o 12.4866 4.18944 0.0036474    0.713901  -0.0659043   0.748134  7.10573     69.446      0.72815     249.446     
1 1 1 19 15 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 16 0  o 9.81403 4.72181 -0.319865    0.733074  -0.319865    0.733074  2.06153     270         8.41068     90          
1 1 1 19 16 1  o 17.9961 5.09653 0.687048     0.809964  0.291237     0.632527  17.7548     266.673     5.69899     266.673     
1 1 1 19 16 2  o 9.27837 3.17416 -0.396129    0.464835  -1.23945     0.497298  4.16764     193.99      23.9355     193.99      
1 1 1 19 16 3  o 9.19598 3.12053 -1.00387     0.482543  -0.334905    0.408991  0.862215    61.6153     4.55139     241.615     
1 1 1 19 16 4  o 8.76764 2.9792  -1.14054     0.42125   -0.245757    0.40244   0.538184    111.222     11.4311     111.222     
1 1 1 19 16 5  o 32.1964 4.40986 2.05182      0.6588    2.28021      0.760038  42.9116     159.107     17.2276     159.107     
1 1 1 19 16 6  o 16.3426 4.51244 0.30549      0.514177  0.524031     0.59261   13.7265     185.565     1.9409      5.56481     
1 1 1 19 16 7  o 17.292  4.2653  -0.054181    0.518337  1.00487      0.543447  15.7221     278.937     0.827497    98.9374     
1 1 1 19 16 8  o 22.9234 4.78672 0.993022     0.59518   1.27323      0.625337  12.073      10.683      24.5045     190.683     
1 1 1 19 16 9  o 54.9949 3.3162  5.64003      0.912807  6.28969      0.959673  57.7142     72.3781     6.79755     252.378     
1 1 1 19 16 10 o 21.9241 4.68202 0.586847     0.605939  1.4417       0.612986  10.8955     332.335     24.4481     152.335     
1 1 1 19 16 11 o 15.3816 4.29195 -0.163479    0.570259  0.635653     0.524581  11.3479     251.64      4.99421     71.6404     
1 1 1 19 16 12 o 56.03   3.67841 6.02084      1.15416   6.59268      0.92075   84.4618     19.2951     45.873      19.2951     
1 1 1 19 16 13 o 15.6253 4.48418 0.00180225   0.661792  0.502734     0.523268  12.7748     213.324     1.00887     33.324      
1 1 1 19 16 14 o 25.9596 4.42138 0.343016     0.750779  2.48184      0.646406  30.625      69.5066     7.74323     69.5066     
1 1 1 19 16 15 o 45.7186 3.48626 4.50405      0.824998  3.91859      0.799242  44.93       239.92      10.3471     59.9196     
1 1 1 19 16 16 o 20.0613 4.71913 0.871547     0.588636  0.858394     0.559384  20.5689     15.898      2.49079     15.898      
1 1 1 19 16 17 o 29.2976 4.49387 2.04623      0.671908  1.69566      0.654958  35.3224     190.786     9.42074     190.786     
1 1 1 19 16 18 o 25.7035 4.68624 1.11917      0.651056  1.83979      0.634662  30.4073     32.2219     8.368       32.2218     
1 1 1 19 16 19 o 11.9035 3.85839 -0.170937    0.568056  -0.266501    0.506641  5.54426     209.216     7.94122     29.216      
1 1 1 19 16 20 o 18.2149 4.9256  0.93088      0.725379  0.424978     0.577904  16.2731     93.9074     2.28735     273.907     
1 1 1 19 16 21 o 22.7948 4.4168  2.46763      0.778341  -0.276651    0.629856  20.4057     224.358     6.06315     44.3581     
1 1 1 19 16 22 o 24.3265 5.05931 1.69428      0.697209  1.15199      0.683727  33.5261     116.062     23.8959     116.062     
1 1 1 19 16 23 o 9.2015  3.18006 -0.353678    0.516381  -1.37778     0.483283  0.748942    321.675     12.9169     141.675     
1 1 1 19 16 24 o 28.0628 4.92802 2.43825      0.720603  1.40387      0.752697  16.775      74.8334     25.6107     254.833     
1 1 1 19 16 25 o 19.3465 4.92363 0.783613     0.612675  1.02937      0.650839  21.0572     353.695     5.45476     353.695     
1 1 1 19 16 26 o 12.7543 4.0138  0.288828     0.557901  -0.317066    0.539552  8.51874     346.139     2.69056     346.139     
1 1 1 19 16 27 o 15.0465 4.49529 0.153241     0.577741  0.559233     0.635712  12.5901     99.3428     1.15894     279.343     
1 1 1 19 16 28 o 14.6052 4.5579  0.337475     0.72548   0.156257     0.621371  4.46807     185.291     2.35748     185.291     
1 1 1 19 16 29 o 16.201  4.21313 -0.846933    0.603587  1.34486      0.622042  15.4922     296.479     5.25874     296.479     
1 1 1 19 16 30 o 11.3516 3.69352 -1.20354     0.557556  0.32975      0.548469  5.38836     299.994     2.34171     119.994     
1 1 1 19 16 31 o 19.5019 4.98027 1.25359      0.657734  0.884214     0.646502  20.6694     334.66      13.0281     334.66      
1 1 1 19 16 32 o 16.6263 4.68856 1.21501      0.687001  0.0875173    0.617163  15.9737     75.5966     5.47988     75.5966     
1 1 1 19 16 33 o 18.0032 4.61539 -0.0847694   0.689052  1.57642      0.658397  11.9828     272.018     10.2517     92.0181     
1 1 1 19 16 34 o 18.8227 5.11672 1.11155      0.720461  1.09511      0.685158  15.8825     252.451     2.50209     72.4505     
1 1 1 19 16 35 o 20.4448 5.22041 1.05226      0.746199  1.63886      0.717665  13.4358     313.135     11.8521     133.135     
1 1 1 19 16 36 o 13.5048 4.29855 0.545032     0.66977   -0.102504    0.608637  7.71934     159.009     3.1963      339.009     
1 1 1 19 16 37 o 17.2104 4.81596 1.70668      0.770185  -0.105786    0.675569  11.8523     326.737     6.94946     146.737     
1 1 1 19 16 38 o 14.2408 4.44829 0.178771     0.657908  0.679777     0.652737  10.1509     60.3295     0.7015      60.3295     
1 1 1 19 16 39 o 15.0843 4.60372 0.241016     0.689915  0.917338     0.668605  12.0172     27.3632     3.98665     27.3632     
1 1 1 19 16 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 17 0  o 7.74489 3.91145 -0.966012    0.70839   -0.966012    0.70839   1.07175     90          8.61493     90          
1 1 1 19 17 1  o 13.4739 4.29495 0.258774     0.7481    -0.533508    0.501122  3.07462     69.1341     32.8324     69.1341     
1 1 1 19 17 2  f 25.8173 4.85627 1.83677      0.737045  1.11398      0.597289  19.831      306.615     0           0           
1 1 1 19 17 3  o 33.9663 4.04716 2.34202      0.686813  2.42246      0.687603  28.3301     1.47943     17.2972     181.479     
1 1 1 19 17 4  o 56.6833 3.09168 7.15926      0.911176  5.46465      0.881016  66.1224     212.637     6.83671     212.637     
1 1 1 19 17 5  o 8.54576 2.91809 -0.285267    0.404402  -0.986532    0.383504  0.213511    49.994      5.0962      229.994     
1 1 1 19 17 6  o 35.5469 4.10516 2.07993      0.667019  3.21589      0.791135  44.8211     236.198     13.2347     236.198     
1 1 1 19 17 7  o 26.3363 4.32761 2.23681      0.624182  0.789687     0.600628  21.5267     120.138     12.8901     300.138     
1 1 1 19 17 8  o 22.084  4.6432  1.36309      0.595738  0.743434     0.577289  24.9169     49.5985     6.3016      49.5985     
1 1 1 19 17 9  o 32.1331 4.06956 1.80264      0.645961  2.53005      0.652219  43.7906     104.479     19.9924     104.479     
1 1 1 19 17 10 o 19.8024 4.57259 0.512877     0.567739  1.10923      0.556214  12.8813     237.424     14.5754     57.424      
1 1 1 19 17 11 o 63.3529 3.03216 7.43147      0.992987  8.3416       0.982963  84.6097     119.647     29.9313     119.647     
1 1 1 19 17 12 o 23.2934 4.53452 0.691383     0.623649  1.65964      0.584429  18.0953     301.343     12.2149     121.343     
1 1 1 19 17 13 o 38.7898 3.87396 2.59231      0.748038  3.66585      0.74079   44.1245     62.5035     4.55861     62.5035     
1 1 1 19 17 14 o 14.1806 4.16102 0.105857     0.505762  0.312128     0.504712  8.04925     333.766     9.56374     153.766     
1 1 1 19 17 15 o 12.5881 3.94058 -0.440775    0.503215  0.231252     0.546382  3.50082     261.225     15.8916     81.2251     
1 1 1 19 17 16 o 23.0072 4.94264 1.25185      0.622502  1.1742       0.662665  28.2329     249.548     11.8765     249.548     
1 1 1 19 17 17 o 16.7503 4.65107 0.490626     0.568777  0.521208     0.611331  7.58557     129.753     18.0812     309.753     
1 1 1 19 17 18 o 18.1066 4.72114 0.912832     0.586935  0.399341     0.622001  15.0089     290.558     5.21374     110.558     
1 1 1 19 17 19 o 20.8786 4.3858  0.233032     0.587129  1.63391      0.596277  24.1817     75.3256     7.79375     75.3256     
1 1 1 19 17 20 o 26.9707 4.90917 1.91675      0.734214  1.54164      0.648214  33.6661     215.535     12.4991     215.535     
1 1 1 19 17 21 o 21.4907 5.09252 0.968251     0.695991  1.27426      0.656313  27.3379     29.2055     17.3523     29.2055     
1 1 1 19 17 22 o 28.0874 4.90089 1.73645      0.692558  2.08185      0.728079  27.7276     235.022     2.91195     55.0222     
1 1 1 19 17 23 o 20.9255 5.08862 0.966603     0.693208  1.24344      0.655989  21.2722     96.8291     1.36363     96.8291     
1 1 1 19 17 24 o 14.6255 4.41817 0.0334255    0.629311  0.472139     0.58417   6.11182     177.249     15.9324     357.249     
1 1 1 19 17 25 o 14.3092 4.43081 0.511109     0.659412  -0.187061    0.626436  11.7114     51.6142     0.0309496   231.614     
1 1 1 19 17 26 o 22.4942 5.32862 1.48442      0.749336  1.32056      0.714212  20.9024     254.679     2.57416     74.6788     
1 1 1 19 17 27 o 11.7496 3.91879 -0.0543402   0.625769  -0.646631    0.633925  5.29121     267.167     0.550983    87.1671     
1 1 1 19 17 28 o 14.8854 4.73193 0.168308     0.883813  0.324387     0.661909  11.7412     327.963     1.73285     327.963     
1 1 1 19 17 29 o 17.7865 5.07878 1.09732      0.807308  0.651136     0.635436  13.7554     221.482     8.5827      221.482     
1 1 1 19 17 30 o 16.7304 4.84255 0.262206     0.814212  0.976861     0.633871  13.081      177.615     7.49441     177.615     
1 1 1 19 17 31 o 13.5477 4.3473  0.426105     0.729079  -0.068546    0.585074  7.93611     131.467     2.49913     131.467     
1 1 1 19 17 32 o 24.8479 5.59489 2.31825      0.905747  1.71724      0.717655  25.9646     323.962     4.29868     323.961     
1 1 1 19 17 33 o 18.6676 5.06379 0.396117     0.868571  1.55421      0.706696  18.223      72.3307     6.3691      72.3307     
1 1 1 19 17 34 o 18.7116 5.03159 0.472478     0.816797  1.57012      0.70139   17.3407     350.579     8.04093     350.579     
1 1 1 19 17 35 o 15.6272 4.60408 -0.058488    0.768631  1.02299      0.62647   10.3265     31.8716     4.03964     31.8716     
1 1 1 19 17 36 o 13.2558 4.21772 -0.651026    0.771124  0.62775      0.601187  7.08308     136.392     6.60379     316.392     
1 1 1 19 17 37 o 13.7382 4.42532 0.611582     0.760998  0.0903515    0.616946  8.13127     176.293     5.88823     356.293     
1 1 1 19 17 38 o 14.4241 4.57026 0.225553     0.792481  0.647937     0.66159   10.7953     72.8695     0.975653    252.869     
1 1 1 19 17 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 18 0  o 40.9479 4.36103 3.46035      0.863682  3.46035      0.863682  43.0733     90          4.76752     270         
1 1 1 19 18 1  o 25.9803 4.74916 1.66774      0.615639  1.30833      0.685407  23.4029     100.051     7.56672     280.051     
1 1 1 19 18 2  o 26.3456 5.03081 1.32021      0.708403  1.80675      0.7106    26.7999     25.4282     1.06187     205.428     
1 1 1 19 18 3  o 25.2604 5.0746  1.12884      0.720216  1.74849      0.700323  22.3506     11.3424     7.81504     191.342     
1 1 1 19 18 4  o 23.2824 4.90911 1.28903      0.7106    1.13107      0.565661  26.5221     359.18      6.87208     359.18      
1 1 1 19 18 5  o 21.7157 4.52032 0.616287     0.577313  1.4104       0.569062  15.6353     315.139     13.4238     135.139     
1 1 1 19 18 6  o 17.477  4.453   0.454944     0.522186  0.731005     0.520317  16.6442     255.734     1.96477     255.734     
1 1 1 19 18 7  o 14.397  4.06014 0.563119     0.490225  -0.140432    0.486006  9.84253     24.8158     5.25357     204.816     
1 1 1 19 18 8  o 26.4822 4.42558 1.84588      0.618496  1.22549      0.58738   26.8779     306.127     1.42084     126.127     
1 1 1 19 18 9  o 17.5914 4.42684 0.794976     0.522809  0.427902     0.510341  17.7772     277.003     8.22415     277.003     
1 1 1 19 18 10 o 23.8294 4.24261 0.476475     0.590901  1.99262      0.585941  26.2492     124.829     4.07342     124.829     
1 1 1 19 18 11 o 50.2091 3.25443 5.11965      0.844109  4.99121      0.831096  56.1346     334.649     3.141       334.649     
1 1 1 19 18 12 o 17.9417 4.42438 0.300406     0.545391  0.962316     0.527261  18.7377     153.188     5.28371     153.188     
1 1 1 19 18 13 o 14.0649 4.16422 0.303506     0.53093   0.114253     0.490306  6.87794     355.595     12.4752     175.595     
1 1 1 19 18 14 o 24.579  4.70124 1.47257      0.62849   1.29178      0.59908   23.3277     358.798     3.99981     178.798     
1 1 1 19 18 15 o 15.5224 4.38514 0.473906     0.546763  0.319513     0.521057  11.2301     304.785     6.60739     124.785     
1 1 1 19 18 16 o 15.5938 4.15825 -0.13996     0.527604  0.817085     0.505447  12.9055     338.95      2.99364     158.95      
1 1 1 19 18 17 o 25.2408 4.15645 0.423168     0.612083  2.50348      0.625892  21.4684     82.1282     9.6296      262.128     
1 1 1 19 18 18 o 15.5369 4.31004 0.758276     0.557     0.0316378    0.508858  9.49504     351.446     10.9352     171.446     
1 1 1 19 18 19 o 17.8619 4.56756 0.465113     0.559767  0.92837      0.555812  16.0964     209.714     11.0992     209.714     
1 1 1 19 18 20 o 19.1833 4.59518 1.40045      0.632473  0.292384     0.553157  13.8709     53.2867     10.7299     53.2867     
1 1 1 19 18 21 o 21.1489 5.04129 1.2797       0.674701  1.00074      0.638887  25.3149     261.383     10.5694     261.383     
1 1 1 19 18 22 o 15.716  4.48679 0.620679     0.567815  0.313112     0.573605  11.2156     37.4929     6.7192      37.4929     
1 1 1 19 18 23 o 12.9185 4.06061 0.167525     0.566568  -0.0240198   0.524556  7.52037     221.699     7.14317     41.6987     
1 1 1 19 18 24 o 21.0876 4.96586 1.40119      0.66135   0.954979     0.623026  21.8443     225.731     3.36124     225.731     
1 1 1 19 18 25 o 13.5644 4.21082 0.255644     0.58418   0.126016     0.554465  9.29121     126.781     2.43847     306.781     
1 1 1 19 18 26 o 10.1156 3.36923 -1.64248     0.540264  0.149058     0.489166  2.98091     282.233     7.49575     102.233     
1 1 1 19 18 27 o 11.0112 3.70555 -0.746826    0.598431  -0.10364     0.581331  3.10049     135.668     11.4186     315.668     
1 1 1 19 18 28 o 12.8857 4.25991 0.0355561    0.737785  -0.222585    0.672257  5.66682     257.225     10.8214     77.2254     
1 1 1 19 18 29 o 16.417  4.65928 0.0814208    0.627842  1.16733      0.672027  15.3069     189.878     3.68226     189.878     
1 1 1 19 18 30 o 20.0635 4.41746 2.08948      0.674778  -0.0916207   0.648645  19.5474     256.879     1.78258     256.879     
1 1 1 19 18 31 o 24.9184 5.07656 1.21449      0.779642  2.54054      0.740933  24.0311     268.546     0.0149126   88.5456     
1 1 1 19 18 32 o 13.7706 4.33823 0.284302     0.649393  0.313117     0.604041  7.31007     320.644     0.295177    320.644     
1 1 1 19 18 33 o 14.3209 4.36916 0.940243     0.669644  -0.293432    0.590236  7.89982     103.17      7.56839     283.17      
1 1 1 19 18 34 o 17.8335 4.99819 1.42499      0.735513  0.585878     0.685681  15.9502     74.6139     2.30286     74.6139     
1 1 1 19 18 35 o 16.0514 4.77268 0.754798     0.687607  0.796752     0.66149   13.4982     306.262     2.3886      306.262     
1 1 1 19 18 36 o 12.0987 3.97884 -0.722754    0.566793  0.567604     0.667452  6.69579     207.404     0.865172    27.4039     
1 1 1 19 18 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 19 0  o 14.2251 5.60507 0.608043     0.613946  0.608043     0.613946  12.4141     90          3.47076     270         
1 1 1 19 19 1  o 13.4158 3.98432 0.132265     0.468903  0.189944     0.469158  9.21779     273.602     0.457804    273.602     
1 1 1 19 19 2  o 19.5191 4.5592  1.16367      0.544996  0.369132     0.621682  13.4882     86.046      12.3283     266.046     
1 1 1 19 19 3  o 40.5127 4.33262 2.65492      0.859966  4.46091      0.842544  49.9184     345.667     13.1688     345.667     
1 1 1 19 19 4  o 43.6091 4.21479 5.08795      0.927402  3.0974       0.881492  51.5125     199.908     9.23744     199.908     
1 1 1 19 19 5  o 16.063  4.39962 0.180875     0.605024  0.62087      0.487775  13.6693     50.8533     1.60402     230.853     
1 1 1 19 19 6  o 30.4361 4.21375 2.0695       0.641778  1.93651      0.640112  29.8878     170.855     4.55341     350.855     
1 1 1 19 19 7  f 36.1704 4.10547 1.71711      0.698507  4.05847      0.710333  30.2186     89.6625     0           0           
1 1 1 19 19 8  o 12.6764 3.90605 0.0177666    0.504197  0.0689662    0.460468  8.1046      357.255     3.55516     177.255     
1 1 1 19 19 9  o 18.1069 4.54583 0.898405     0.575397  0.493813     0.50622   18.7829     115.042     11.1935     115.042     
1 1 1 19 19 10 o 20.4301 4.71072 1.07978      0.613564  0.823447     0.533495  24.0461     66.8671     9.90202     66.8671     
1 1 1 19 19 11 o 15.6439 4.21331 0.918566     0.562838  -0.351277    0.53468   9.99493     56.4691     10.0394     236.469     
1 1 1 19 19 12 o 26.5867 4.93018 1.9842       0.707746  1.37034      0.683281  27.7419     112.934     0.725526    112.934     
1 1 1 19 19 13 o 21.2666 4.95471 1.2545       0.651388  0.89428      0.624779  23.826      111.031     6.42018     111.031     
1 1 1 19 19 14 f 34.0399 4.48324 2.97717      0.775153  2.28402      0.746238  36.7477     47.314      0           0           
1 1 1 19 19 15 o 20.1614 5.04024 1.02199      0.660469  0.931282     0.655095  23.588      119.893     9.94477     119.893     
1 1 1 19 19 16 o 16.6275 4.73708 0.380137     0.646919  0.666719     0.620957  17.0827     43.7984     6.47553     43.7984     
1 1 1 19 19 17 o 25.3984 4.70795 0.723854     0.687866  2.48136      0.718861  27.6936     76.3984     3.71804     76.3984     
1 1 1 19 19 18 o 12.0375 3.84905 -0.16301     0.570402  0.0185102    0.464314  6.04085     246.648     8.99959     66.648      
1 1 1 19 19 19 o 10.6003 3.51524 -0.1821      0.539474  -0.352286    0.420487  4.07566     121.826     0.477892    301.826     
1 1 1 19 19 20 o 13.472  4.04614 -0.483976    0.6327    0.508263     0.484045  10.3008     101.685     0.547953    281.685     
1 1 1 19 19 21 o 11.2885 3.67054 -0.0350086   0.517482  -0.238851    0.466433  5.65644     62.8883     1.83082     242.888     
1 1 1 19 19 22 o 23.3627 4.64802 0.787509     0.636144  2.0319       0.645217  26.3739     100.491     7.47609     100.491     
1 1 1 19 19 23 o 12.4731 3.86709 0.498932     0.541693  -0.490888    0.477372  5.71096     349.678     0.843098    349.678     
1 1 1 19 19 24 o 15.7382 4.52916 0.728399     0.597886  0.348825     0.576071  12.8096     238.231     1.43108     58.2313     
1 1 1 19 19 25 o 19.9219 4.83774 0.650238     0.661024  1.49059      0.632631  14.8123     92.3915     8.88405     272.391     
1 1 1 19 19 26 o 12.1789 3.8939  -0.181093    0.548628  0.199883     0.519351  7.18278     6.60139     3.23475     186.601     
1 1 1 19 19 27 o 15.2532 4.50053 0.261674     0.598273  0.746191     0.60927   11.998      86.5697     1.76665     266.57      
1 1 1 19 19 28 o 10.8903 3.63089 -1.01521     0.630288  0.100933     0.520131  3.26079     51.0771     9.46976     231.077     
1 1 1 19 19 29 o 15.7148 4.6225  0.841374     0.655656  0.39124      0.597913  10.4854     40.8077     4.3718      40.8077     
1 1 1 19 19 30 o 12.8443 4.10575 -0.195059    0.627763  0.374725     0.575881  5.49988     264.545     8.37288     84.5451     
1 1 1 19 19 31 o 11.9707 3.93755 -0.158628    0.616956  0.0345581    0.572229  3.68176     119.714     0.894822    299.714     
1 1 1 19 19 32 o 15.0595 4.57694 0.828493     0.659816  0.221013     0.660627  10.9605     304.206     2.13533     304.206     
1 1 1 19 19 33 o 15.5789 4.75022 0.728293     0.698504  0.637207     0.697482  10.7852     103.051     4.56642     283.051     
1 1 1 19 19 34 o 13.5684 4.25174 0.82106      0.654735  -0.300556    0.59132   9.07004     3.98814     2.3836      183.988     
1 1 1 19 19 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 20 0  o 11.5321 4.77854 0.359836     0.479474  0.359836     0.479474  5.38318     90          12.5599     270         
1 1 1 19 20 1  o 20.5012 4.62635 1.01532      0.5517    0.901304     0.559252  17.3564     173.352     6.39789     353.352     
1 1 1 19 20 2  o 22.5149 4.51247 1.34837      0.555575  0.966881     0.558505  28.907      343.744     14.8445     343.744     
1 1 1 19 20 3  o 31.1128 4.46495 2.21627      0.642414  2.11803      0.745784  41.4419     202.46      18.708      202.46      
1 1 1 19 20 4  o 29.2446 4.96417 2.04337      0.753068  1.97737      0.73291   27.4495     301.492     6.18198     121.492     
1 1 1 19 20 5  o 27.0559 5.26088 2.19768      0.828274  1.41119      0.706868  32.0029     172.289     9.09954     172.289     
1 1 1 19 20 6  o 16.4707 4.65619 0.466359     0.682623  0.507129     0.528314  14.6314     305.777     0.900691    125.777     
1 1 1 19 20 7  o 19.9459 4.60382 1.28569      0.593281  0.522318     0.55471   18.4012     298.999     2.61226     118.999     
1 1 1 19 20 8  o 27.9973 4.71714 1.89672      0.678691  1.7604       0.671349  29.8044     173.075     1.75144     173.075     
1 1 1 19 20 9  o 15.2898 4.01511 -0.348645    0.474731  0.94418      0.528126  8.73126     295.345     5.45493     295.345     
1 1 1 19 20 10 o 11.1717 3.3699  0.407825     0.411133  -0.884151    0.411878  6.55101     29.0737     1.16091     209.074     
1 1 1 19 20 11 o 19.5402 4.48433 1.12074      0.544144  0.653951     0.515808  20.5846     211.227     3.46633     211.227     
1 1 1 19 20 12 o 9.70882 3.22571 -0.278782    0.42709   -0.32844     0.399649  3.77002     154.124     5.7394      334.124     
1 1 1 19 20 13 o 9.76769 3.23501 -0.0177267   0.448378  -0.61164     0.375013  3.09439     210.095     9.05956     30.0952     
1 1 1 19 20 14 o 17.0681 3.88416 1.31602      0.526733  -0.311884    0.473822  8.21575     46.7114     17.666      226.711     
1 1 1 19 20 15 o 11.8589 3.65824 0.337044     0.467781  -0.345714    0.418608  6.91066     121.849     1.02876     121.849     
1 1 1 19 20 16 f 27.9878 4.39665 1.92939      0.638599  1.77494      0.604161  19.6067     15.9491     0           0           
1 1 1 19 20 17 o 11.5773 3.47602 -0.857597    0.446973  0.471204     0.426296  4.12127     231.057     0.683676    231.057     
1 1 1 19 20 18 o 10.194  3.36756 -0.0542161   0.473851  -0.435202    0.402603  3.38768     346.299     7.22926     166.299     
1 1 1 19 20 19 o 17.9375 4.54873 1.09848      0.579981  0.482534     0.527907  16.8071     314.353     1.07592     314.353     
1 1 1 19 20 20 o 19.0433 4.65679 0.350878     0.565755  1.48839      0.649288  19.3667     278.036     4.30197     278.036     
1 1 1 19 20 21 o 9.81448 3.37082 -0.682405    0.479479  -0.471154    0.580703  1.77032     283.081     1.58654     103.081     
1 1 1 19 20 22 o 13.2504 4.26258 0.229102     0.638142  -0.134942    0.656527  8.90636     254.322     0.398166    74.3219     
1 1 1 19 20 23 o 14.013  4.39914 0.534007     0.655989  -0.144626    0.654678  8.91944     282.46      5.91853     102.46      
1 1 1 19 20 24 o 21.2969 5.13671 0.618475     0.745234  2.05298      0.769558  24.0141     5.21834     9.32385     5.21834     
1 1 1 19 20 25 o 14.6841 4.36651 1.02278      0.680848  -0.169315    0.494259  11.572      155.455     1.8259      155.455     
1 1 1 19 20 26 o 11.7179 3.6089  -1.00263     0.500457  0.561022     0.479488  5.4856      232.423     2.24872     52.4234     
1 1 1 19 20 27 o 18.4441 4.98238 0.895715     0.641198  1.1583       0.687331  17.1952     160.131     3.78464     160.131     
1 1 1 19 20 28 o 11.4131 3.79842 0.286817     0.638546  -0.686411    0.507073  2.08134     246.866     1.07518     66.8658     
1 1 1 19 20 29 o 11.3055 3.68776 -0.386166    0.537859  0.158766     0.497838  2.62382     31.8269     1.1474      211.827     
1 1 1 19 20 30 o 9.61346 3.29571 -0.847437    0.560082  -0.264809    0.485009  1.4343      182.639     8.09008     2.63852     
1 1 1 19 20 31 o 14.9007 4.46104 0.238287     0.611064  0.836439     0.614464  5.96994     330.41      2.90914     330.41      
1 1 1 19 20 32 o 15.3147 4.5542  1.03928      0.67619   0.228128     0.578121  6.91353     122.065     3.7941      122.065     
1 1 1 19 20 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 20 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 21 0  o 32.5009 4.3279  2.30287      0.653641  2.30287      0.653641  55.7927     270         41.6033     270         
1 1 1 19 21 1  o 12.1273 3.6538  0.348933     0.429577  -0.259657    0.424248  8.29654     188.375     2.51531     8.37454     
1 1 1 19 21 2  o 23.9104 4.59344 1.67055      0.617426  1.07095      0.56656   26.4959     134.058     4.988       134.058     
1 1 1 19 21 3  o 25.8754 4.71638 1.4433       0.638034  1.77706      0.640535  35.5818     9.00861     20.6404     9.00861     
1 1 1 19 21 4  o 34.439  4.80892 1.95509      0.745175  3.84339      0.9218    32.535      155.439     7.14937     335.439     
1 1 1 19 21 5  o 14.8843 4.33365 0.239208     0.468563  0.505652     0.605975  9.2381      31.2983     9.60729     211.298     
1 1 1 19 21 6  o 19.2393 4.85336 0.775556     0.625332  1.00314      0.605234  17.9325     182.859     1.47128     2.8593      
1 1 1 19 21 7  o 16.0904 4.4237  0.624408     0.581206  0.448315     0.476549  14.6222     52.3197     0.165885    232.32      
1 1 1 19 21 8  o 10.5463 3.44443 0.201107     0.519122  -0.584046    0.342047  4.74148     144.773     6.81802     324.773     
1 1 1 19 21 9  f 26.3174 4.48473 1.60048      0.608545  1.68931      0.60096   23.0005     286.596     0           0           
1 1 1 19 21 10 o 18.6125 4.234   0.374394     0.502697  1.19603      0.506026  17.4435     273.297     0.896576    93.2973     
1 1 1 19 21 11 o 11.9965 3.64881 -0.137545    0.434593  0.276907     0.412199  5.36029     196.791     10.0483     16.7914     
1 1 1 19 21 12 o 11.4138 3.57565 0.066958     0.445217  -0.0274759   0.391921  6.25969     263.531     3.79812     83.531      
1 1 1 19 21 13 o 21.2046 4.54711 0.909005     0.560606  1.31963      0.546339  17.3395     221.745     7.23875     41.7447     
1 1 1 19 21 14 o 8.63029 2.91385 -0.232456    0.391763  -0.465191    0.327085  0.768555    91.2434     1.97967     271.243     
1 1 1 19 21 15 o 12.1036 3.71454 0.10518      0.453205  0.133429     0.411767  6.80859     294.628     3.8585      114.628     
1 1 1 19 21 16 o 10.9013 3.4519  -0.216448    0.442013  0.109417     0.381959  3.06162     242.182     10.9931     62.1815     
1 1 1 19 21 17 f 12.7579 3.83178 0.092742     0.468111  0.302768     0.426207  5.74709     149.847     0           0           
1 1 1 19 21 18 o 20.2648 4.14734 1.74199      0.567967  0.298117     0.503832  17.8002     65.9748     3.47819     245.975     
1 1 1 19 21 19 f 17.4829 4.3135  1.15782      0.535815  0.332373     0.496354  15.6681     182.699     0           0           
1 1 1 19 21 20 o 14.8106 4.23085 0.647913     0.53234   0.283729     0.480989  12.2762     101.754     1.10287     101.754     
1 1 1 19 21 21 o 13.9887 4.15812 0.484708     0.547341  0.250152     0.474806  10.7946     199.371     2.06948     199.371     
1 1 1 19 21 22 o 16.1768 4.35299 0.948321     0.540941  0.3352       0.509327  14.6357     3.14342     3.12091     3.14342     
1 1 1 19 21 23 f 10.159  3.3532  -0.0728188   0.466652  -0.254664    0.397542  11.6713     329.383     0           0           
1 1 1 19 21 24 o 12.7117 3.8194  -0.414747    0.514723  0.585312     0.47327   6.8868      129.07      1.61992     309.07      
1 1 1 19 21 25 o 16.8458 4.34993 1.30009      0.586315  0.131762     0.514579  13.9863     44.0166     0.481651    44.0165     
1 1 1 19 21 26 o 12.5559 3.92538 0.376076     0.525318  -0.0501686   0.492813  3.27703     196.366     0.0197463   196.366     
1 1 1 19 21 27 o 17.7386 5.16141 0.673955     0.648634  1.40191      0.872774  14.3116     214.386     1.46445     34.3856     
1 1 1 19 21 28 o 13.0082 4.43026 0.854562     0.954661  -1.71862     0.797613  5.51742     190.406     0.48155     190.406     
1 1 1 19 21 29 o 10.4675 3.52289 -0.837436    0.665891  -0.0083971   0.459841  3.01407     48.4858     2.04677     228.486     
1 1 1 19 21 30 o 14.7618 4.39452 0.869589     0.609503  0.184293     0.570432  9.65545     275.902     4.31323     275.902     
1 1 1 19 21 31 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 22 0  o 13.4818 5.22802 0.59158      0.524566  0.59158      0.524566  12.373      90          0.471539    270         
1 1 1 19 22 1  o 19.9723 4.5737  0.734175     0.549559  1.22094      0.557743  23.5333     175.192     11.6944     175.192     
1 1 1 19 22 2  o 18.5698 4.5427  0.469872     0.547351  1.1653       0.569724  20.489      33.8429     8.71818     33.8429     
1 1 1 19 22 3  o 9.20671 3.04899 -0.126321    0.368424  -0.416916    0.3681    1.05145     6.90818     1.03246     186.908     
1 1 1 19 22 4  o 23.001  4.55727 1.29869      0.569121  1.30414      0.560902  25.5529     341.028     6.33003     341.028     
1 1 1 19 22 5  o 17.1863 4.1121  0.0283533    0.501783  1.17608      0.514044  16.7811     355.659     2.75183     355.659     
1 1 1 19 22 6  o 15.9222 4.35206 0.557583     0.476458  0.535972     0.547057  8.40538     231.999     5.11971     231.999     
1 1 1 19 22 7  o 13.1854 3.95663 0.450921     0.527334  -0.0108226   0.419444  5.65694     104.552     2.00566     104.552     
1 1 1 19 22 8  o 16.0745 4.23108 0.690669     0.48567   0.470152     0.462031  12.699      26.4986     3.54231     206.499     
1 1 1 19 22 9  o 9.80602 3.16576 -0.0607285   0.368979  -0.162438    0.346666  2.75637     189.024     5.96714     9.02426     
1 1 1 19 22 10 o 15.2611 4.15863 0.523102     0.476596  0.478668     0.452985  11.7858     296.589     5.06802     296.589     
1 1 1 19 22 11 o 10.1693 3.25161 0.0903778    0.387359  -0.269028    0.355264  2.54836     205.266     9.42754     25.2659     
1 1 1 19 22 12 o 31.3286 3.96999 2.76985      0.624717  1.81151      0.606167  39.7937     249.904     16.7595     249.904     
1 1 1 19 22 13 o 15.4358 4.20177 0.949486     0.575583  0.140886     0.401189  13.4214     114.052     4.52179     114.052     
1 1 1 19 22 14 o 11.5753 3.52224 0.242162     0.40674   0.00679505   0.360401  2.38537     279.647     0.289358    279.647     
1 1 1 19 22 15 o 21.0009 4.46313 1.19534      0.538184  1.07889      0.512066  20.2274     306.391     0.372577    306.392     
1 1 1 19 22 16 o 9.61126 3.11029 0.065208     0.378791  -0.293652    0.319706  2.8087      94.9004     4.37908     274.9       
1 1 1 19 22 17 o 16.1452 3.9925  0.208832     0.471814  0.95027      0.442661  15.0214     2.04094     7.67528     2.04094     
1 1 1 19 22 18 o 13.305  3.81579 0.102843     0.455686  0.494574     0.402082  9.31293     136.208     1.12785     136.208     
1 1 1 19 22 19 o 14.3252 4.05456 0.581191     0.493227  0.325366     0.420943  10.3035     311.69      2.39242     131.69      
1 1 1 19 22 20 o 14.677  3.94857 0.114983     0.473002  0.762332     0.434287  10.8571     42.2828     1.55703     222.283     
1 1 1 19 22 21 o 14.5946 3.85636 0.934827     0.479799  -0.0390688   0.393566  3.57946     321.777     1.66207     321.777     
1 1 1 19 22 22 o 11.2275 3.50386 0.313769     0.439791  -0.172424    0.370518  3.40813     319.159     7.81218     139.159     
1 1 1 19 22 23 o 11.2058 3.52676 0.0263842    0.43346   0.105212     0.394468  3.72533     129.388     5.59226     309.388     
1 1 1 19 22 24 o 14.6214 4.14892 0.423686     0.504202  0.571337     0.462849  10.2603     106.955     1.19206     106.955     
1 1 1 19 22 25 o 14.5109 4.10221 0.214832     0.517707  0.709019     0.466341  10.518      302.95      0.299021    302.95      
1 1 1 19 22 26 o 11.0364 3.54978 0.353615     0.500842  -0.381968    0.399136  4.31249     14.9795     2.82961     194.98      
1 1 1 19 22 27 o 10.954  3.57473 -0.102289    0.509057  0.0215887    0.442573  4.61556     263.112     4.12209     83.1117     
1 1 1 19 22 28 o 17.0321 4.44062 0.125127     0.681457  1.30587      0.558746  15.7851     178.348     3.07149     178.348     
1 1 1 19 22 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 23 0  f 14.6369 5.50685 0.736419     0.565409  0.736419     0.565409  6.1738      89.9999     0           0           
1 1 1 19 23 1  o 13.1211 3.93217 0.249539     0.455596  0.229721     0.471307  5.7525      226.012     1.76965     226.012     
1 1 1 19 23 2  o 14.5759 4.07731 0.194709     0.462546  0.62913      0.47594   10.9508     4.13758     3.84916     4.13758     
1 1 1 19 23 3  o 20.4079 3.98866 0.266096     0.510936  1.7113       0.527122  18.0898     78.3456     3.1533      258.346     
1 1 1 19 23 4  o 17.6465 4.43193 0.768742     0.507331  0.782423     0.510289  17.4579     175.866     9.41959     175.866     
1 1 1 19 23 5  o 19.7802 3.96808 0.165754     0.511591  1.65767      0.52526   18.9046     91.1017     0.372368    91.1017     
1 1 1 19 23 6  o 9.54862 3.12202 -0.179256    0.372423  -0.136921    0.355223  1.0072      345.529     17.3797     345.529     
1 1 1 19 23 7  o 17.1717 4.4026  0.592478     0.483103  0.872388     0.531384  15.3303     275.87      0.115734    275.87      
1 1 1 19 23 8  o 13.76   3.94537 0.17929      0.495901  0.470025     0.410277  7.96927     107.199     7.87683     287.199     
1 1 1 19 23 9  o 28.2232 4.05001 1.97599      0.583338  1.81504      0.561302  32.9683     223.086     10.0135     223.086     
1 1 1 19 23 10 o 22.22   4.24497 1.10386      0.514518  1.36151      0.4939    23.9104     324.65      5.46023     324.65      
1 1 1 19 23 11 o 12.7805 3.6145  0.478777     0.394529  0.0961227    0.347499  8.42671     167.899     1.16667     167.899     
1 1 1 19 23 12 o 13.9394 3.82732 0.33131      0.411172  0.478714     0.387579  10.8777     124.327     2.85547     124.327     
1 1 1 19 23 13 o 14.711  3.75554 0.766451     0.413046  0.197429     0.360426  8.68279     135.902     4.60626     135.902     
1 1 1 19 23 14 o 14.3567 3.75595 0.587381     0.391319  0.345594     0.355514  11.427      84.0714     1.58825     84.0714     
1 1 1 19 23 15 o 10.0836 3.10743 0.196188     0.307823  -0.178121    0.329915  2.73041     113.432     2.94896     293.432     
1 1 1 19 23 16 o 16.1605 4.07771 0.61235      0.39626   0.69119      0.466971  10.3377     290.191     8.23646     110.191     
1 1 1 19 23 17 o 4.82155 1.69429 -0.287099    0.188307  -0.177726    0.0926747 2.70658     278.12      7.03726     278.12      
1 1 1 19 23 18 o 21.6201 5.03382 0.777808     0.425045  2.25544      0.885206  23.5667     17.7809     14.0696     17.7809     
1 1 1 19 23 19 o 10.6988 3.5386  0.0571059    0.323109  -0.723795    0.757826  1.48662     66.1602     1.48268     246.16      
1 1 1 19 23 20 o 16.2197 3.99493 0.169568     0.413106  1.12219      0.494628  13.4482     343.307     1.42548     343.307     
1 1 1 19 23 21 o 11.7605 3.44284 -0.00164423  0.34369   0.404531     0.365886  4.84067     261.461     6.84532     81.4608     
1 1 1 19 23 22 o 19.9114 4.34867 1.31977      0.469257  0.835216     0.595059  21.0084     251.993     7.99822     251.993     
1 1 1 19 23 23 o 24.2389 4.0485  1.49076      0.517422  1.51876      0.484113  24.5161     23.0995     3.20845     23.0995     
1 1 1 19 23 24 o 16.2614 3.49438 1.30992      0.444548  -0.102716    0.371381  13.7738     238.217     0.513322    58.2168     
1 1 1 19 23 25 o 8.67837 2.75564 -0.575896    0.326513  0.156405     0.265469  1.38399     29.0888     3.19107     209.089     
1 1 1 19 23 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 24 0  o 5.4422  2.74739 -0.450424    0.348102  -0.450424    0.348102  1.21606     270         4.03873     270         
1 1 1 19 24 1  o 21.3592 4.71436 1.14659      0.605299  1.33122      0.561942  25.1146     259.289     12.3605     259.289     
1 1 1 19 24 2  o 15.0653 4.0435  0.874706     0.486951  0.0491348    0.465862  12.7212     23.659      1.1787      23.659      
1 1 1 19 24 3  o 19.6053 4.55004 0.867497     0.536817  1.1853       0.542925  18.962      246.31      1.86608     246.311     
1 1 1 19 24 4  f 13.6365 3.92676 0.484501     0.449204  0.223917     0.432207  10.4945     285.647     0           0           
1 1 1 19 24 5  o 18.8132 4.41287 0.849864     0.514507  1.00794      0.495187  19.1419     287.342     5.09297     287.342     
1 1 1 19 24 6  o 19.9088 4.29499 1.21995      0.505784  0.838577     0.47199   21.6156     53.687      7.87414     53.687      
1 1 1 19 24 7  f 14.429  3.9155  0.420553     0.428264  0.510625     0.397581  10.5908     195.588     0           0           
1 1 1 19 24 8  o 22.6626 4.27901 1.60921      0.518043  1.03983      0.533383  24.1689     7.33877     5.78748     7.33877     
1 1 1 19 24 9  o 15.0381 4.33392 0.586817     0.415176  0.291996     0.755113  11.0084     216.308     2.16095     36.3081     
1 1 1 19 24 10 f 13.9131 4.49149 0.212344     0.705562  0.15869      0.73593   9.42529     312.884     0           0           
1 1 1 19 24 11 o 26.5724 6.25393 2.11098      0.953332  3.0537       1.0774    26.8695     219.698     3.52926     219.698     
1 1 1 19 24 12 o 13.1751 4.34596 -0.306657    0.663369  0.32645      0.784849  6.88843     93.8179     4.45967     273.818     
1 1 1 19 24 13 o 22.903  6.02572 2.43267      0.971443  1.51989      1.03286   22.4278     249.507     3.74132     249.507     
1 1 1 19 24 14 o 13.1261 4.32972 -0.536935    0.65312   0.506254     0.790591  5.19413     358.056     0.36457     178.056     
1 1 1 19 24 15 o 13.7724 4.48984 -0.6414      0.689217  0.773742     0.824608  6.30266     152.548     0.615615    152.548     
1 1 1 19 24 16 o 21.6374 5.83142 2.04619      0.913007  1.40113      0.948564  5.9569      53.3353     4.44608     53.3353     
1 1 1 19 24 17 o 14.8039 4.70302 -0.248562    0.767644  0.914483     0.798034  5.86559     168.462     2.23121     168.462     
1 1 1 19 24 18 o 19.0776 5.56207 1.75533      0.908522  0.867542     0.940845  14.3193     140.861     5.25752     320.861     
1 1 1 19 24 19 o 14.7673 4.72344 -0.398572    0.725753  1.14437      0.866502  9.84707     211.267     3.43833     31.2666     
1 1 1 19 24 20 o 18.9168 5.35924 2.22237      0.923629  0.18434      0.885613  15.35       256.202     9.74497     256.202     
1 1 1 19 24 21 o 13.05   4.40612 0.228225     0.851458  -0.388768    0.820114  7.4327      151.433     0.693147    151.433     
1 1 1 19 24 22 o 12.0529 4.13307 -0.187848    0.78229   -0.599222    0.835169  5.82263     249.37      0.136726    249.37      
1 1 1 19 24 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 25 0  o 7.62349 3.611   -0.0467881   0.397501  -0.0467881   0.397501  3.62446     89.9999     17.0321     89.9999     
1 1 1 19 25 1  o 16.5733 4.27166 0.463867     0.490419  0.931469     0.493721  12.7756     148.76      2.00036     328.76      
1 1 1 19 25 2  o 13.4885 3.91223 0.248896     0.448238  0.455374     0.434749  7.78631     256.556     2.74988     76.5562     
1 1 1 19 25 3  o 15.1321 3.86918 0.951698     0.46145   0.0650174    0.404031  10.018      101.866     3.27697     101.866     
1 1 1 19 25 4  o 12.2415 3.44369 -0.246722    0.386856  0.557107     0.366763  3.15378     59.4256     0.198278    239.426     
1 1 1 19 25 5  o 14.4029 4.00793 0.546724     0.415002  0.371706     0.477815  8.42931     140.469     5.76033     320.469     
1 1 1 19 25 6  f 13.0999 4.15789 0.65671      0.630362  -0.944798    0.694396  9.71805     87.638      0           0           
1 1 1 19 25 7  f 12.747  4.21152 0.0138307    0.606126  -0.107166    0.778634  7.28153     106.675     0           0           
1 1 1 19 25 8  o 12.9183 4.28487 -0.0386842   0.637323  -0.0507572   0.811709  5.26236     107.614     0.581975    287.614     
1 1 1 19 25 9  f 19.7873 5.57131 2.22266      0.926657  -0.583017    1.45351   13.1902     100.742     0           0           
1 1 1 19 25 10 o 18.2383 5.83685 2.34984      1.40734   0.400359     0.891433  15.0103     269.137     0.547406    269.137     
1 1 1 19 25 11 o 17.0842 5.22692 0.817161     0.839794  0.966659     0.8613    8.88575     80.1497     4.8033      80.1497     
1 1 1 19 25 12 o 15.3441 4.85711 0.0937248    0.752052  0.94436      0.850853  7.99514     240.906     3.23126     240.906     
1 1 1 19 25 13 o 20.0054 5.70623 1.49422      0.898109  1.55152      0.925463  19.4334     32.3355     5.68398     32.3355     
1 1 1 19 25 14 o 19.4683 5.38403 0.379749     0.864791  2.176        0.898325  16.3999     125.886     1.55285     305.887     
1 1 1 19 25 15 o 20.1995 5.70429 0.981988     0.953222  2.20538      0.953482  17.3843     36.3294     1.05884     216.329     
1 1 1 19 25 16 o 14.9165 4.72068 -0.589298    0.750733  1.28428      0.850561  9.91924     243.897     3.66255     243.897     
1 1 1 19 25 17 o 15.398  4.8393  1.31923      0.858838  -0.380727    0.792583  12.3351     71.9254     2.65264     71.9254     
1 1 1 19 25 18 o 12.7788 4.3107  0.14014      0.792815  -0.394122    0.807283  4.915       176.791     1.38539     176.791     
1 1 1 19 25 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 25 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 26 0  o ?       ?       -0.876676    0.220831  -0.876676    0.220831  0.513452    89.9998     0           0           
1 1 1 19 26 1  o 12.9461 3.60836 0.712999     0.421688  -0.25212     0.398974  7.76382     341.103     2.04064     161.103     
1 1 1 19 26 2  o 19.2353 4.44468 0.466054     0.484852  1.65319      0.614992  16.3788     214.488     1.65927     34.4884     
1 1 1 19 26 3  o 14.5868 4.55051 0.793172     0.670038  -0.173198    0.775443  10.1285     98.6114     0.905188    98.6114     
1 1 1 19 26 4  o 10.8975 3.68408 -0.143576    0.556624  -0.561215    0.635199  2.6362      283.642     1.28383     103.642     
1 1 1 19 26 5  o 15.9565 5.08219 0.627059     0.811971  0.770843     0.960009  10.9136     209.939     4.42688     209.939     
1 1 1 19 26 6  o 14.1666 4.57042 0.411209     0.696241  0.212633     0.806509  5.3361      4.08512     1.97207     4.08512     
1 1 1 19 26 7  o 18.6908 5.15712 -0.0721412   0.79007   2.20297      0.886275  16.9858     185.725     2.32202     185.725     
1 1 1 19 26 8  o 36.395  6.15576 4.4374       1.15355   4.61482      1.13887   49.0895     17.2948     29.5212     17.2948     
1 1 1 19 26 9  o 13.9919 4.68164 0.245711     0.693869  0.0166185    1.17674   5.85746     149.916     2.06434     149.916     
1 1 1 19 26 10 o 18.8723 6.05772 2.72977      1.37105   0.589353     1.28474   14.4081     327.67      8.63176     327.67      
1 1 1 19 26 11 o 18.9829 5.90861 3.0041       1.33616   0.304872     0.923383  16.2929     291.808     0.129594    291.808     
1 1 1 19 26 12 o 14.8806 4.82249 0.169355     0.780106  0.778702     0.896725  9.94136     345.295     3.9935      345.295     
1 1 1 19 26 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 26 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 26 15 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 5  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 19 27 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 0  0  o 124.519 3.73824 28.7511      2.40295   28.7511      2.40295   180.831     360         53.6966     360         
1 1 1 20 0  1  o 78.2496 2.87391 11.3969      1.15848   11.3969      1.15848   107.62      90          21.7227     90          
1 1 1 20 0  2  o 57.8747 3.24196 6.31176      0.958132  6.31176      0.958132  59.401      180         24.2987     8.65147e-06 
1 1 1 20 0  3  o 10.2809 4.74307 -0.0478584   0.616984  -0.0478584   0.616984  1.76093     89.9999     6.27286     89.9999     
1 1 1 20 0  4  o 20.1677 6.18905 1.09499      0.668739  1.09499      0.668739  10.9583     360         1.20055     360         
1 1 1 20 0  5  o 15.307  5.84812 0.634936     0.646568  0.634936     0.646568  1.20202     270         24.9341     90          
1 1 1 20 0  6  o 63.3662 3.16696 7.54046      1.02807   7.54046      1.02807   95.2618     180         34.1743     180         
1 1 1 20 0  7  o 13.4486 5.63142 0.396033     0.678181  0.396033     0.678181  0.136039    90.0001     8.43227     270         
1 1 1 20 0  8  o 63.2335 3.52973 7.55865      1.1399    7.55865      1.1399    93.5269     180         31.319      180         
1 1 1 20 0  9  o 51.16   4.1248  5.06548      1.05714   5.06548      1.05714   67.1751     270         8.49168     270         
1 1 1 20 0  10 o 8.32526 4.11714 -0.63785     0.65887   -0.63785     0.65887   6.7048      8.6521e-06  18.2518     8.6521e-06  
1 1 1 20 0  11 o 32.2301 6.10211 2.33208      0.880844  2.33208      0.880844  20.5564     270         37.9489     90          
1 1 1 20 0  12 o 39.3732 4.28835 3.09313      0.813536  3.09313      0.813536  46.8652     180         2.72246     8.65133e-06 
1 1 1 20 0  13 o 14.8722 5.78087 0.598586     0.643009  0.598586     0.643009  3.2461      90          7.52893     270         
1 1 1 20 0  14 f 10.9045 4.97809 0.0244263    0.655467  0.0244263    0.655467  35.9214     360         0           0           
1 1 1 20 0  15 o 47.2165 4.20745 4.37573      0.98542   4.37573      0.98542   59.8694     90          4.67661     90          
1 1 1 20 0  16 f 59.372  3.74106 6.7532       1.12934   6.7532       1.12934   72.2877     1.19405e-10 0           0           
1 1 1 20 0  17 o 109.67  3.15201 22.5291      1.78512   22.5291      1.78512   124.604     90          16.9244     270         
1 1 1 20 0  18 o 17.6619 6.32664 0.904472     0.721137  0.904472     0.721137  14.6168     360         9.12206     180         
1 1 1 20 0  19 o 8.19119 4.01398 -0.455555    0.588833  -0.455555    0.588833  3.16504     270         12.6707     270         
1 1 1 20 0  20 o 64.7958 3.1346  7.96031      1.04133   7.96031      1.04133   90.1878     180         24.2814     180         
1 1 1 20 0  21 o 30.8163 5.31233 2.10534      0.735146  2.10534      0.735146  39.6299     90          5.23045     90          
1 1 1 20 0  22 o 20.3375 6.84057 1.22234      0.822237  1.22234      0.822237  20.4847     180         7.19064     8.65149e-06 
1 1 1 20 0  23 o 53.4859 4.16277 5.63934      1.11853   5.63934      1.11853   75.8551     270         23.9505     270         
1 1 1 20 0  24 o 13.1528 5.66263 0.369212     0.724533  0.369212     0.724533  5.40228     360         1.34574     360         
1 1 1 20 0  25 o 13.5432 5.59119 0.475483     0.652407  0.475483     0.652407  1.45202     90          34.7475     90          
1 1 1 20 0  26 o 27.7767 5.71883 1.83256      0.714738  1.83256      0.714738  47.044      0           28.6844     0           
1 1 1 20 0  27 o 41.4237 4.29406 3.50373      0.864113  3.50373      0.864113  46.7717     270         4.11039     90          
1 1 1 20 0  28 o 10.4923 4.82874 0.0335388    0.633941  0.0335388    0.633941  3.96266     180         3.06956     8.65139e-06 
1 1 1 20 0  29 o 10.9158 5.05745 0.0132508    0.712476  0.0132508    0.712476  4.44746     270         2.03787     90          
1 1 1 20 0  30 o 8.54904 4.21003 -0.510878    0.669046  -0.510878    0.669046  3.57536     180         23.7588     180         
1 1 1 20 0  31 o 9.35958 4.45582 -0.166898    0.619507  -0.166898    0.619507  1.22334     90          1.86575     270         
1 1 1 20 0  32 o 20.9057 6.48646 1.31111      0.733947  1.31111      0.733947  15.6665     180         16.9832     8.65148e-06 
1 1 1 20 0  33 o 11.1178 5.03821 0.165262     0.655693  0.165262     0.655693  3.82775     90          0.226376    90          
1 1 1 20 0  34 o 9.08302 4.37838 -0.236967    0.636635  -0.236967    0.636635  1.77641     360         13.7138     180         
1 1 1 20 0  35 o 11.6795 5.21916 0.275663     0.675017  0.275663     0.675017  9.52832     270         0.592709    270         
1 1 1 20 0  36 f 6.95436 3.54133 -0.955558    0.633542  -0.955558    0.633542  0.854011    180         0           0           
1 1 1 20 0  37 o 9.67043 4.6302  -0.124555    0.6877    -0.124555    0.6877    5.60568     90          3.12706     270         
1 1 1 20 0  38 o 6.8861  3.5033  -0.880808    0.613512  -0.880808    0.613512  5.45658     180         23.831      180         
1 1 1 20 0  39 o 22.5541 7.16104 1.8022       0.894185  1.8022       0.894185  35.2655     270         22.873      270         
1 1 1 20 0  40 o 11.7439 5.46098 0.269828     0.842175  0.269828     0.842175  5.36453     180         13.6064     360         
1 1 1 20 0  41 o 11.9375 5.35634 0.41718      0.719344  0.41718      0.719344  7.32505     270         1.43052     270         
1 1 1 20 0  42 o 11.8471 5.33629 0.422078     0.722109  0.422078     0.722109  9.04664     180         3.48716     8.70261e-06 
1 1 1 20 0  43 o 16.1348 6.2634  1.08058      0.753763  1.08058      0.753763  6.72178     90          4.2363      90          
1 1 1 20 0  44 o 13.3557 5.75311 0.715924     0.748766  0.715924     0.748766  2.00154     180         0.640043    180         
1 1 1 20 0  45 f 14.3032 6.16286 0.907601     0.859699  0.907601     0.859699  2.78243     270         0           0           
1 1 1 20 0  46 o 7.21069 3.75011 -2.00665     0.972326  -2.00665     0.972326  3.04574     180         16.6764     180         
1 1 1 20 0  47 o 15.9759 6.41532 1.20257      0.823983  1.20257      0.823983  18.1993     90          8.34061     90          
1 1 1 20 0  48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 1  0  o 5.31303 2.75997 -1.4246      0.514803  -1.4246      0.514803  12.971      180         28.5619     180         
1 1 1 20 1  1  o 37.2745 4.25172 3.20428      0.804873  2.22065      0.769913  53.3829     338.088     24.9706     338.088     
1 1 1 20 1  2  o 34.071  4.44501 3.50619      0.764995  1.24541      0.725831  44.2988     323.103     14.312      323.103     
1 1 1 20 1  3  o 20.0756 4.70796 1.26252      0.656427  -0.015571    0.633305  11.9445     53.8401     10.9914     233.84      
1 1 1 20 1  4  o 57.9547 3.3141  5.9578       0.960802  6.70011      1.01316   62.2565     318.895     15.2164     138.895     
1 1 1 20 1  5  f 13.5274 4.18977 0.324165     0.645844  -1.13785     0.59418   11.665      174.449     0           0           
1 1 1 20 1  6  o 22.3923 5.24211 1.00251      0.69885   0.872485     0.720437  14.0883     94.7078     16.4721     274.708     
1 1 1 20 1  7  o 15.4728 4.59992 0.280999     0.636701  -0.13765     0.632824  2.64122     166.323     7.53317     346.323     
1 1 1 20 1  8  o 53.7652 3.51037 5.11921      0.963639  5.85295      0.967196  81.5418     186.169     36.5176     186.169     
1 1 1 20 1  9  o 13.0869 4.11172 -1.61409     0.639086  0.288807     0.642288  0.10532     261.355     5.74463     261.355     
1 1 1 20 1  10 o 50.322  4.01941 4.97367      1.1135    4.76396      0.941013  56.8794     168.412     5.69163     348.412     
1 1 1 20 1  11 o 51.2886 3.82607 5.54384      1.03977   4.56024      0.96227   53.3542     90.0815     15.4097     270.082     
1 1 1 20 1  12 o 69.7283 3.46466 9.37254      1.24673   9.0769       1.24169   92.501      290.413     17.4804     290.413     
1 1 1 20 1  13 o 26.8131 5.16575 1.22599      0.742986  1.69166      0.743623  24.1849     242.324     14.9477     242.324     
1 1 1 20 1  14 o 59.1459 3.43745 6.10955      1.03223   7.24527      1.05197   74.3286     323.595     7.61636     323.595     
1 1 1 20 1  15 o 21.0373 5.18407 1.04878      0.715397  0.560774     0.69413   15.81       263.501     9.01011     83.5006     
1 1 1 20 1  16 o 41.058  4.13839 3.1656       0.801741  3.46651      0.909858  45.1405     259.271     5.51989     79.2714     
1 1 1 20 1  17 o 43.4723 4.16613 3.66914      0.906927  3.78409      0.922406  49.7131     114.015     2.43225     294.015     
1 1 1 20 1  18 o 43.6737 4.23577 5.04158      0.891804  2.68415      0.891243  37.8599     322.567     27.3553     142.567     
1 1 1 20 1  19 o 40.9246 4.09257 3.15362      0.834517  3.5012       0.852219  50.7568     185.087     6.20302     185.087     
1 1 1 20 1  20 o 20.738  5.14531 0.82311      0.688007  0.833419     0.680359  15.8051     44.0102     12.324      224.01      
1 1 1 20 1  21 o 29.2823 4.84846 2.36486      0.755091  1.27594      0.717711  24.9401     178.576     16.9843     358.576     
1 1 1 20 1  22 o 19.9039 5.1454  0.429873     0.693699  0.999912     0.719842  22.3784     205.166     8.53206     205.166     
1 1 1 20 1  23 o 23.71   5.35092 0.414656     0.802342  1.83522      0.8238    26.6635     186.649     2.12718     186.649     
1 1 1 20 1  24 o 37.2756 4.77936 2.55164      0.901689  3.27041      0.867949  41.647      302.522     2.90788     122.522     
1 1 1 20 1  25 o 14.1488 4.38276 0.0215621    0.614561  -0.0525312   0.613356  10.9342     20.7972     1.51244     200.797     
1 1 1 20 1  26 o 13.2205 4.22521 -0.240325    0.61585   -0.149499    0.620553  8.95119     71.2833     1.16433     251.283     
1 1 1 20 1  27 o 38.7895 4.33577 3.27237      0.841442  3.00256      0.84279   57.4735     98.712      26.9119     98.712      
1 1 1 20 1  28 o 15.2339 4.62345 -0.0769797   0.670021  0.319632     0.656236  13.334      179.36      2.41345     179.36      
1 1 1 20 1  29 o 54.7009 3.75777 4.98456      1.02599   7.26003      1.04282   77.5096     344.111     28.9601     344.111     
1 1 1 20 1  30 o 17.9761 4.98756 0.295704     0.701528  0.805727     0.685052  8.41985     250.31      21.317      70.3103     
1 1 1 20 1  31 o 41.4478 4.4809  3.43651      0.918012  3.99059      0.943467  45.0295     5.70295     4.1569      185.703     
1 1 1 20 1  32 o 24.1337 5.46769 1.22695      0.754372  1.57655      0.798906  16.1083     139.381     20.632      319.381     
1 1 1 20 1  33 o 14.6245 4.39755 -0.813699    0.634053  0.724123     0.674109  3.40795     327.95      23.4614     147.95      
1 1 1 20 1  34 f 20.808  5.24186 1.07669      0.711204  1.01131      0.713875  12.7676     76.3522     0           0           
1 1 1 20 1  35 o 11.6665 3.89183 0.0410191    0.657924  -1.10437     0.593375  4.35048     101.393     1.18025     101.393     
1 1 1 20 1  36 o 16.4231 4.83812 0.257288     0.683844  0.716802     0.699708  12.8661     108.425     7.40762     288.425     
1 1 1 20 1  37 o 17.7955 4.7493  1.43524      0.716293  -0.25793     0.684643  17.0638     229.943     1.78166     49.9428     
1 1 1 20 1  38 o 11.8254 3.95177 -0.908353    0.652654  0.034303     0.654618  0.569191    329.472     0.183079    329.472     
1 1 1 20 1  39 o 24.6145 5.99769 1.67064      0.960049  2.31105      0.934754  20.0995     163.213     11.5682     343.213     
1 1 1 20 1  40 o 8.9862  3.19404 -1.60179     0.620294  -1.25476     0.682111  2.01593     71.6741     6.35285     251.674     
1 1 1 20 1  41 o 23.8931 5.64873 1.70222      0.805814  2.03585      0.842274  29.4009     176.42      11.3408     176.42      
1 1 1 20 1  42 o 14.5787 4.60995 0.634083     0.73079   0.104609     0.71259   9.14509     233.469     4.50979     233.469     
1 1 1 20 1  43 o 13.9562 4.51139 0.530149     0.747163  -0.0212133   0.725057  10.0516     45.7014     1.77901     45.7014     
1 1 1 20 1  44 o 16.3213 5.01236 0.441817     0.816762  1.12464      0.798082  13.7004     15.8453     0.161513    15.8451     
1 1 1 20 1  45 o 12.1178 4.18984 -0.487784    0.829919  -0.456669    0.916802  3.91496     225.186     0.0162529   225.187     
1 1 1 20 1  46 o 12.6723 4.38496 -0.128212    0.889084  -0.553837    1.06137   4.40505     254.757     1.02051     254.757     
1 1 1 20 1  47 o 13.9509 4.61209 0.453051     0.850166  0.2978       0.80555   8.74059     336.029     7.17915     156.029     
1 1 1 20 1  48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 2  0  o 22.8399 6.42285 1.35521      0.734472  1.35521      0.734472  19.0059     2.38456e-06 14.9673     180         
1 1 1 20 2  1  o 35.0442 4.77047 3.04684      0.87372   1.85131      0.795691  50.6904     61.3225     31.1097     61.3225     
1 1 1 20 2  2  o 50.2997 3.72475 5.24064      0.989663  4.3923       0.922579  63.2992     321.177     7.20323     321.177     
1 1 1 20 2  3  o 17.3055 4.6533  -0.74741     0.694698  0.932476     0.677788  0.748764    208.104     34.6964     208.104     
1 1 1 20 2  4  o 18.7551 5.04683 0.709947     0.71614   0.277387     0.656307  6.29464     129.827     1.49068     309.827     
1 1 1 20 2  5  f 46.6401 4.01019 3.51979      0.951113  4.8696       0.914662  39.1312     203.14      0           0           
1 1 1 20 2  6  o 65.1533 3.39562 9.33896      1.18589   6.77168      1.08248   60.2863     338.07      37.3603     158.07      
1 1 1 20 2  7  o 51.8177 3.89281 5.6034       1.0363    4.67712      1.01677   66.852      139.519     10.8407     139.519     
1 1 1 20 2  8  f 54.7171 3.60169 6.59844      1.06591   4.84379      0.949057  50.3631     270.125     0           0           
1 1 1 20 2  9  o 14.7545 4.49733 -0.254284    0.646129  0.161053     0.622031  1.09493     143.766     16.6267     323.766     
1 1 1 20 2  10 o 40.1301 4.32995 3.10885      0.894605  3.17539      0.848415  32.2743     302.112     29.6895     122.112     
1 1 1 20 2  11 o 18.9098 5.09711 0.230188     0.684165  0.777625     0.728355  7.12092     200.885     20.9672     20.8851     
1 1 1 20 2  12 o 24.3828 5.31253 0.788893     0.757301  1.54154      0.761629  21.7525     46.6299     4.88885     226.63      
1 1 1 20 2  13 o 59.4023 3.69457 6.44652      1.12286   7.06872      1.12724   83.251      310.463     25.3967     310.463     
1 1 1 20 2  14 o 17.7352 4.70187 0.961686     0.666876  -0.381399    0.66213   7.17677     46.3187     18.1413     226.319     
1 1 1 20 2  15 o 30.5119 4.78769 1.6147       0.739189  2.1736       0.739846  38.9451     150.212     12.4716     150.212     
1 1 1 20 2  16 o 70.5853 3.03592 9.48005      1.10072   9.40442      1.11029   78.5122     68.7387     12.4307     248.739     
1 1 1 20 2  17 o 21.0972 5.11613 0.837309     0.681553  0.866544     0.667982  9.88384     241.115     25.5263     61.1154     
1 1 1 20 2  18 o 21.9214 5.07484 1.15813      0.678284  0.742621     0.666861  11.6506     299.109     24.5543     119.109     
1 1 1 20 2  19 o 33.7572 4.54503 2.08588      0.749038  2.56916      0.783124  44.109      324.302     11.768      324.302     
1 1 1 20 2  20 o 23.6118 5.17088 1.52884      0.724123  0.760276     0.719642  17.6971     253.475     16.7199     73.4746     
1 1 1 20 2  21 o 20.1783 5.213   0.222764     0.722742  1.17804      0.771515  17.1561     253.813     7.8579      73.813      
1 1 1 20 2  22 o 23.3034 4.88266 2.04509      0.781716  -0.00558687  0.734719  31.0141     79.0982     19.9832     79.0982     
1 1 1 20 2  23 o 16.1482 4.82961 0.160636     0.717331  0.206418     0.676443  12.1111     285.492     7.80411     105.492     
1 1 1 20 2  24 o 21.3515 5.3351  0.917243     0.772343  0.911992     0.701779  20.9045     27.326      3.8832      207.326     
1 1 1 20 2  25 o 19.0353 5.0986  0.490936     0.740856  0.770835     0.658103  21.2947     207.825     5.86891     207.825     
1 1 1 20 2  26 o 25.5828 5.23079 1.24777      0.752998  1.63584      0.725921  36.8425     114.88      21.1875     114.88      
1 1 1 20 2  27 o 13.1437 4.24062 -0.521571    0.657353  -0.054376    0.640516  8.87555     332.175     2.00319     152.175     
1 1 1 20 2  28 o 80.0864 3.18228 12.2096      1.35913   13.0132      1.26522   112.711     48.0399     38.6906     48.0399     
1 1 1 20 2  29 o 22.0733 5.19077 1.2868       0.711163  0.871363     0.691899  20.6121     40.5251     6.07058     220.525     
1 1 1 20 2  30 o 20.2497 5.16795 0.713419     0.702562  1.03327      0.698625  22.1953     61.9945     3.51768     61.9945     
1 1 1 20 2  31 o 22.9852 5.19687 1.68973      0.748473  0.724499     0.72175   28.1026     293.554     8.69009     293.554     
1 1 1 20 2  32 o 12.6772 4.16231 0.0353597    0.669259  -1.01995     0.701133  2.59906     153.797     19.7887     333.797     
1 1 1 20 2  33 o 11.8532 3.93246 -0.0428266   0.620655  -1.07168     0.654048  7.43921     97.092      3.68055     277.092     
1 1 1 20 2  34 o 28.4334 4.95321 2.98903      0.811462  1.0029       0.771153  30.1761     132.84      1.99138     312.84      
1 1 1 20 2  35 o 30.4005 5.23938 2.55532      0.827498  2.06089      0.814514  35.4532     166.185     4.48418     166.185     
1 1 1 20 2  36 o 19.6318 5.21634 1.09457      0.726062  0.861107     0.718825  23.6568     310.993     8.94115     310.993     
1 1 1 20 2  37 o 21.9746 5.46    1.19358      0.767498  1.51335      0.781486  24.284      218.773     3.23604     218.773     
1 1 1 20 2  38 o 11.2564 3.80872 -0.0697517   0.645052  -1.14472     0.648214  6.00125     240.503     6.62836     60.5027     
1 1 1 20 2  39 o 14.3517 4.61685 0.362414     0.801621  -0.00365819  0.698853  11.3465     252.228     2.22246     72.2284     
1 1 1 20 2  40 o 21.3897 5.46119 0.74791      0.842967  2.09051      0.848107  22.0829     216.05      1.31848     216.05      
1 1 1 20 2  41 f 20.5561 5.08831 0.358583     0.750703  2.12651      0.793669  13.6608     344.959     0           0           
1 1 1 20 2  42 o 13.3957 4.37538 -0.141805    0.726712  0.334421     0.71113   10.2167     112.23      0.0561857   112.23      
1 1 1 20 2  43 o 17.7985 5.20024 0.71545      0.820599  1.33356      0.783698  17.4716     135.161     3.63982     135.161     
1 1 1 20 2  44 o 12.7921 4.30887 -0.733671    0.801372  0.366357     0.804696  7.0216      278.538     2.37645     98.538      
1 1 1 20 2  45 o 12.9032 4.33786 -0.461008    0.763628  0.364694     0.821281  5.96351     44.3354     0.814672    44.3353     
1 1 1 20 2  46 o 22.0388 6.24266 2.77504      1.10312   2.10441      1.08716   24.0994     340.507     7.27352     340.507     
1 1 1 20 2  47 o 13.9739 4.5833  -0.777832    0.841529  1.10001      0.848634  10.935      315.808     2.77098     315.808     
1 1 1 20 2  48 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 3  0  o 9.90825 4.64416 -0.143305    0.628553  -0.143305    0.628553  11.819      180         36.3938     180         
1 1 1 20 3  1  o 21.6149 5.32343 0.934574     0.738139  0.724503     0.72893   5.03192     217.602     35.5031     37.6017     
1 1 1 20 3  2  o 54.9251 3.7797  6.91328      1.07316   4.66214      1.02423   71.2892     221.295     11.5896     221.295     
1 1 1 20 3  3  o 23.168  5.46457 1.00513      0.768988  1.00691      0.769907  17.7554     253.151     9.30847     73.1509     
1 1 1 20 3  4  o 15.8528 4.67885 -0.457823    0.673698  0.472985     0.681448  3.40364     80.2221     11.4502     260.222     
1 1 1 20 3  5  o 22.9977 5.30132 0.879035     0.734683  1.12554      0.722944  19.5458     197.205     2.10923     197.205     
1 1 1 20 3  6  o 58.1628 3.40791 6.34952      1.02463   6.43834      1.01165   54.5188     21.6411     31.1311     201.641     
1 1 1 20 3  7  o 33.4013 4.6595  2.83093      0.791108  1.64428      0.76316   29.078      283.04      18.0792     103.04      
1 1 1 20 3  8  o 48.4603 3.70928 4.36674      0.911005  4.60461      0.922552  66.7137     101.498     19.9091     101.498     
1 1 1 20 3  9  o 12.3956 4.04888 -0.45306     0.593486  -0.436806    0.624684  7.79504     148.974     34.342      148.974     
1 1 1 20 3  10 o 23.7828 5.16046 1.23536      0.674632  0.98416      0.728707  7.68232     241.337     36.4602     61.3367     
1 1 1 20 3  11 f 12.6098 4.07508 -0.798199    0.623997  -0.0924993   0.60085   7.40895     319.953     0           0           
1 1 1 20 3  12 f 46.7894 3.8803  4.64947      0.9322    3.81806      0.907976  84.2766     217.077     0           0           
1 1 1 20 3  13 o 19.4298 4.85567 1.09051      0.660806  0.0392616    0.672574  8.16761     231.865     22.1901     51.8646     
1 1 1 20 3  14 o 60.6115 3.40429 7.45061      1.07179   6.57385      1.04769   81.3121     224.436     18.2997     224.436     
1 1 1 20 3  15 o 24.3146 4.15078 2.39382      0.690218  -0.206927    0.636596  23.5142     280.987     4.13872     100.987     
1 1 1 20 3  16 o 55.8764 3.32536 5.96967      0.970805  5.98377      0.93722   61.2138     274.214     10.6401     94.2137     
1 1 1 20 3  17 o 30.8863 4.6261  2.08069      0.743595  1.81181      0.69224   31.5755     135.102     6.80992     315.102     
1 1 1 20 3  18 o 18.7882 4.84738 0.798278     0.625318  0.4149       0.618808  3.44332     302.684     33.7479     122.684     
1 1 1 20 3  19 o 21.3954 4.66439 1.57181      0.666357  0.0939646    0.644344  10.7765     261.761     70.4671     261.761     
1 1 1 20 3  20 o 12.9343 4.16398 0.0549447    0.639609  -0.933783    0.645201  2.37866     139.174     18.653      319.174     
1 1 1 20 3  21 f 52.2973 3.9273  4.53537      0.978683  6.38759      1.11097   67.776      206.729     0           0           
1 1 1 20 3  22 o 19.4789 5.10369 0.0971887    0.706737  1.12518      0.750785  18.5373     334.355     3.06842     154.355     
1 1 1 20 3  23 o 31.0046 4.88442 2.8056       0.794535  1.33483      0.768906  31.9973     206.394     6.91423     26.3936     
1 1 1 20 3  24 o 20.9327 5.17439 0.0998171    0.794099  1.40079      0.746401  26.3968     170.978     14.438      170.978     
1 1 1 20 3  25 o 39.531  5.07064 2.2768       1.00882   4.54139      0.938984  40.9816     179.642     9.37274     359.642     
1 1 1 20 3  26 o 13.759  4.29942 0.336823     0.65973   -0.767532    0.618733  3.28322     314.51      1.17243     314.51      
1 1 1 20 3  27 o 38.6921 4.28837 2.83295      0.834718  3.42581      0.820391  45.4589     183.11      2.26556     183.11      
1 1 1 20 3  28 o 23.916  5.16389 1.07185      0.701466  1.49249      0.709955  21.955      132.827     8.36426     312.827     
1 1 1 20 3  29 o 20.9805 5.10626 0.966312     0.672697  0.953072     0.671747  25.5534     269.696     16.4985     269.696     
1 1 1 20 3  30 o 15.9865 4.71115 0.122376     0.664177  0.468753     0.645947  8.52108     273.877     15.6128     93.8773     
1 1 1 20 3  31 o 22.952  5.22682 1.07575      0.730324  1.36201      0.694853  24.3957     315.786     0.145449    315.785     
1 1 1 20 3  32 o 29.3643 4.62452 3.54206      0.840629  0.610033     0.720033  35.144      301.577     5.73809     301.577     
1 1 1 20 3  33 o 15.7739 4.74217 -0.114788    0.669651  0.633587     0.722111  15.1447     250.69      1.39774     250.69      
1 1 1 20 3  34 o 20.1913 5.33582 0.693985     0.772292  1.23195      0.760984  19.5467     61.8188     2.7678      241.819     
1 1 1 20 3  35 o 13.087  4.1944  -0.665073    0.635369  0.303098     0.646563  9.7894      331.54      4.15672     151.54      
1 1 1 20 3  36 o 12.0491 3.95829 -1.31492     0.635256  0.28166      0.644804  8.7148      29.027      3.20341     209.027     
1 1 1 20 3  37 o 15.4555 4.34338 -1.08781     0.654617  1.17416      0.66391   13.7908     354.349     8.13133     354.349     
1 1 1 20 3  38 o 11.5537 3.94236 -0.0486153   0.752622  -1.20306     0.643161  6.60614     40.7174     0.251251    220.717     
1 1 1 20 3  39 o 14.5671 4.67064 -0.0111048   0.811759  0.383881     0.733597  10.7904     5.48966     4.10009     5.48966     
1 1 1 20 3  40 o 9.36764 3.32261 -0.775496    0.692035  -2.02255     0.653416  2.55493     63.1327     7.11796     243.133     
1 1 1 20 3  41 o 19.1807 5.2713  1.86806      0.846137  0.358919     0.798559  22.0225     209.86      9.45297     209.86      
1 1 1 20 3  42 o 16.7404 5.11859 1.19369      0.85462   0.444552     0.796282  14.8538     102.31      7.88515     102.31      
1 1 1 20 3  43 o 15.2149 4.8328  0.660776     0.802995  0.422863     0.787795  12.472      160.2       1.24881     160.2       
1 1 1 20 3  44 o 19.9791 5.62182 1.45861      0.826705  1.62434      0.920143  21.3048     101.496     8.72188     101.496     
1 1 1 20 3  45 o 14.3163 4.71287 0.175422     0.837825  0.550363     0.865087  10.541      2.39576     0.456513    2.39575     
1 1 1 20 3  46 o 17.6158 5.38671 1.21285      0.920397  1.36128      0.888922  14.6834     100.228     8.63264     100.228     
1 1 1 20 3  47 o 11.9954 4.09441 -0.227121    0.758352  -0.156765    0.773695  7.50349     68.0053     2.9616      248.005     
1 1 1 20 4  0  f 11.8704 5.22789 0.187062     0.651428  0.187062     0.651428  9.79166     180         0           0           
1 1 1 20 4  1  o 52.277  3.70339 4.52454      0.995356  5.91578      0.961679  63.7016     28.4243     3.01118     28.4243     
1 1 1 20 4  2  o 23.2747 5.15928 1.27467      0.713419  0.813092     0.687322  16.2488     284.237     14.5896     104.237     
1 1 1 20 4  3  o 12.3714 4.0348  -0.385242    0.612864  -0.48531     0.590703  14.304      249.486     50.2721     249.486     
1 1 1 20 4  4  o 60.0461 3.32824 5.82724      0.983946  7.8546       1.0632    60.973      1.09014     22.7336     181.09      
1 1 1 20 4  5  o 49.2771 3.61775 5.3894       0.882448  3.91171      0.910292  63.3592     244.76      10.4749     244.76      
1 1 1 20 4  6  o 28.2618 4.74069 1.56713      0.687601  1.62262      0.680421  30.4104     134.867     1.6064      134.867     
1 1 1 20 4  7  o 59.6148 3.19166 5.68985      0.94607   7.79479      0.999667  59.8613     96.0461     23.652      276.046     
1 1 1 20 4  8  o 39.3993 3.90787 2.8009       0.76936   3.20245      0.780529  44.9481     210.653     1.08491     30.6529     
1 1 1 20 4  9  o 40.3101 3.85338 3.20943      0.790136  3.06309      0.778851  62.1709     50.2348     35.4658     50.2348     
1 1 1 20 4  10 o 40.6976 3.88199 3.23645      0.786994  3.16908      0.808562  50.3442     338.596     6.95606     338.596     
1 1 1 20 4  11 o 25.0634 4.42959 2.23471      0.691576  0.239669     0.63797   21.7635     277.178     9.09775     97.1784     
1 1 1 20 4  12 f 39.0662 4.25325 3.69427      0.851433  2.3668       0.795899  89.0508     235.138     0           0           
1 1 1 20 4  13 o 19.2404 4.65356 -0.468286    0.677172  1.31193      0.684366  5.81528     87.2805     27.876      267.28      
1 1 1 20 4  14 o 17.4963 4.89697 0.442383     0.6715    0.337095     0.646636  4.03927     129.869     26.4764     309.869     
1 1 1 20 4  15 o 15.1847 4.41699 0.504086     0.576818  -0.441145    0.639051  1.8972      91.3559     24.3643     271.356     
1 1 1 20 4  16 o 19.8915 4.93823 0.869728     0.632193  0.579996     0.638835  15.5933     31.8334     7.93476     211.833     
1 1 1 20 4  17 o 55.5696 3.30928 5.43298      0.930807  6.45185      0.953756  64.6877     145.411     2.6326      325.411     
1 1 1 20 4  18 o 18.4484 4.881   0.446439     0.63307   0.68565      0.631839  13.9204     193.359     8.59926     13.3591     
1 1 1 20 4  19 o 31.9097 4.85831 2.73859      0.79063   1.55272      0.781953  24.746      266.673     24.1295     86.6733     
1 1 1 20 4  20 o 29.2288 5.09102 1.50117      0.766808  2.13875      0.777979  24.7452     297.203     17.1347     117.203     
1 1 1 20 4  21 o 51.5731 3.80851 6.2121       0.985631  4.36919      0.98777   60.0444     203.842     1.41339     23.8422     
1 1 1 20 4  22 o 17.1387 4.63291 -0.303952    0.620507  0.933866     0.660318  17.4894     60.8009     4.93679     60.8009     
1 1 1 20 4  23 o 17.7225 4.9298  -0.0859715   0.711978  0.835323     0.699253  14.1564     134.021     8.38507     314.021     
1 1 1 20 4  24 f 23.3647 5.90504 1.29944      0.967656  1.01374      0.84169   39.1964     34.7207     0           0           
1 1 1 20 4  25 o 15.2936 4.65353 -0.816608    0.813297  0.484746     0.663689  10.843      168.881     8.10098     348.881     
1 1 1 20 4  26 o 27.5705 5.01766 1.43615      0.750144  1.90837      0.706152  21.2703     340.943     19.6555     160.943     
1 1 1 20 4  27 o 24.4237 5.05926 1.06123      0.699385  1.5875       0.68675   28.9774     358.899     5.51681     358.899     
1 1 1 20 4  28 o 32.3336 4.73037 1.43431      0.764561  3.24111      0.788858  33.2161     4.48205     6.54711     184.482     
1 1 1 20 4  29 o 26.0806 5.12394 1.77119      0.739799  1.34062      0.702745  20.8734     40.4885     16.0415     220.489     
1 1 1 20 4  30 o 32.5672 4.81198 2.05627      0.787453  2.67899      0.785996  35.0077     24.9468     2.84652     204.947     
1 1 1 20 4  31 o 20.3217 5.15514 0.521956     0.740033  1.22956      0.701057  21.1678     66.0107     0.643911    66.0108     
1 1 1 20 4  32 o 32.1172 5.09538 2.61288      0.852092  2.21948      0.804105  37.1499     186.447     3.22183     186.447     
1 1 1 20 4  33 o 23.5927 5.38643 1.54733      0.767477  1.22797      0.738382  23.548      230.638     3.35482     50.6377     
1 1 1 20 4  34 o 23.729  5.20003 0.257832     0.811595  2.46721      0.868678  27.3543     142.026     4.56866     142.026     
1 1 1 20 4  35 f 24.1189 5.69541 1.34605      0.825248  1.85448      0.86075   13.9922     171.014     0           0           
1 1 1 20 4  36 f 12.0668 4.02302 -0.496835    0.65443   -0.205355    0.656662  11.1027     258.881     0           0           
1 1 1 20 4  37 o 16.6909 4.83927 0.965967     0.699285  0.1377       0.701388  17.3692     241.317     9.49543     241.317     
1 1 1 20 4  38 o 12.294  4.16741 -0.814261    0.780239  -0.203448    0.758294  7.61908     147.78      5.24239     327.78      
1 1 1 20 4  39 o 14.2388 4.46123 -1.41108     0.684885  1.0922       0.794522  11.8568     314.83      1.3635      314.83      
1 1 1 20 4  40 o 12.0037 4.03729 -0.911334    0.698106  0.118666     0.704638  7.16053     42.0393     4.92505     222.039     
1 1 1 20 4  41 o 12.8185 4.21491 -0.683459    0.737892  0.38003      0.682533  4.94031     42.7571     1.88926     42.7571     
1 1 1 20 4  42 o 14.3099 4.60619 -0.213977    0.759441  0.744867     0.781714  11.0218     295.067     2.89979     295.067     
1 1 1 20 4  43 o 15.6947 4.77044 -0.0680994   0.747305  1.19092      0.753747  13.3475     21.46       2.97507     21.46       
1 1 1 20 4  44 o 13.9707 4.52937 0.143307     0.748104  0.444177     0.743382  4.43481     348.319     1.52984     348.319     
1 1 1 20 4  45 o 12.2265 4.16901 -0.0268105   0.787331  -0.448719    0.796711  5.65136     320.933     0.046082    320.932     
1 1 1 20 4  46 o 18.739  5.56769 1.79019      0.941383  1.2998       0.897759  18.7071     341.191     3.7779      341.191     
1 1 1 20 4  47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 5  0  o 15.5908 5.81815 0.672392     0.626918  0.672392     0.626918  3.63931     5.51428e-06 18.4471     180         
1 1 1 20 5  1  o 50.9595 3.38234 4.78042      0.878678  5.06073      0.886937  70.0022     177.061     19.9227     177.061     
1 1 1 20 5  2  o 20.9163 4.77433 0.263174     0.626776  1.27843      0.647407  15.1296     20.2496     1.43882     200.25      
1 1 1 20 5  3  o 46.5522 3.5124  4.50548      0.840572  3.75965      0.82352   65.2148     51.3092     22.109      51.3092     
1 1 1 20 5  4  o 20.5493 4.78015 1.26837      0.658377  0.163566     0.632025  11.3348     212.821     16.7306     32.8214     
1 1 1 20 5  5  o 53.2154 3.32628 6.16707      0.918119  4.61178      0.885912  62.4133     234.768     1.81774     54.7682     
1 1 1 20 5  6  o 39.1149 4.0532  3.21355      0.792388  2.73004      0.797138  60.7493     191.701     37.2277     191.701     
1 1 1 20 5  7  o 14.2367 4.32981 0.230273     0.586812  -0.378435    0.604642  2.82631     81.0763     28.3829     81.0763     
1 1 1 20 5  8  o 59.413  3.1856  6.65169      0.975795  6.69029      0.971712  68.5301     148.885     5.02888     328.885     
1 1 1 20 5  9  o 58.9855 3.2222  5.91742      0.972988  7.28884      0.972812  70.7396     17.5173     0.676723    17.5176     
1 1 1 20 5  10 o 27.7527 4.93636 1.82931      0.714978  1.29699      0.714972  28.7423     57.6317     1.42515     237.632     
1 1 1 20 5  11 o 29.1552 4.72072 2.06944      0.707671  1.37868      0.697915  14.0825     331.453     38.3128     151.453     
1 1 1 20 5  12 o 32.187  4.55668 1.46326      0.728827  2.76128      0.738406  36.6158     315.121     1.42517     315.121     
1 1 1 20 5  13 o 49.0258 3.62019 4.7344       0.938445  4.53025      0.874299  56.7769     292.609     2.20395     112.609     
1 1 1 20 5  14 o 40.4576 4.1646  3.08643      0.840328  3.37529      0.854285  47.3728     320.042     0.782381    320.042     
1 1 1 20 5  15 o 19.5702 4.68184 -0.217199    0.640377  1.3387       0.683691  10.5317     321.43      19.6419     141.43      
1 1 1 20 5  16 o 66.5783 3.17064 9.14171      1.0583    7.81562      1.1065    84.7014     258.57      10.6008     258.57      
1 1 1 20 5  17 o 16.8415 4.42572 -0.427962    0.598999  0.933299     0.603853  12.1436     34.5082     6.51907     214.508     
1 1 1 20 5  18 o 19.6087 4.94875 1.10174      0.678005  0.190518     0.676972  15.4948     255.442     8.4072      255.442     
1 1 1 20 5  19 o 10.5306 3.58034 -1.10917     0.551148  -0.483291    0.593768  0.14831     323.462     15.7456     323.462     
1 1 1 20 5  20 o 22.1762 4.45345 -0.135621    0.625956  1.94229      0.702322  26.4919     118.906     6.88482     118.906     
1 1 1 20 5  21 o 14.3217 4.39854 0.32744      0.652117  -0.487596    0.6094    10.5176     292.966     0.435902    112.966     
1 1 1 20 5  22 o 43.6896 4.03601 4.34949      0.910924  3.34498      0.864501  48.453      237.581     5.16054     57.5812     
1 1 1 20 5  23 o 22.1654 4.59875 1.88622      0.706456  -0.0803623   0.67008   26.693      218.169     6.49153     218.169     
1 1 1 20 5  24 o 28.2379 5.39766 1.11343      0.799291  2.4605       0.885294  35.7247     289.324     9.27004     289.324     
1 1 1 20 5  25 o 21.0546 5.59963 1.06894      0.900669  0.701445     0.760201  20.2706     112.215     3.82471     292.215     
1 1 1 20 5  26 o 35.0036 4.9285  3.45337      0.943836  1.96954      0.789557  51.7099     103.625     25.3712     103.625     
1 1 1 20 5  27 o 48.5868 3.97665 4.95578      1.05835   4.73658      0.901517  69.1626     83.9115     26.7943     83.9115     
1 1 1 20 5  28 o 27.0872 4.69237 0.406555     0.752842  2.86216      0.784346  16.5269     192.152     27.8057     12.1519     
1 1 1 20 5  29 o 27.7472 5.41861 1.52784      0.842987  2.07856      0.790847  13.6825     166.957     34.817      346.957     
1 1 1 20 5  30 o 26.4874 4.89    2.28262      0.736383  0.955766     0.698653  28.6111     276.308     0.575644    96.3078     
1 1 1 20 5  31 o 20.2429 4.97434 0.137189     0.674874  1.55639      0.748358  23.0454     2.66527     5.27758     2.66527     
1 1 1 20 5  32 o 18.4161 5.14178 0.619939     0.713805  0.762135     0.736498  11.3989     289.132     8.11609     289.132     
1 1 1 20 5  33 o 25.0247 5.19133 2.15609      0.78366   0.96577      0.728445  21.7995     115.751     10.8161     295.751     
1 1 1 20 5  34 o 13.4099 4.31424 -0.0811704   0.674191  -0.0630455   0.640534  9.4219      110.305     3.81451     110.305     
1 1 1 20 5  35 o 16.231  4.90383 0.669648     0.751262  0.179457     0.726578  17.4399     105.751     7.04866     105.751     
1 1 1 20 5  36 o 24.793  5.50871 2.228        0.827187  1.22785      0.823522  26.4394     225.963     0.354059    225.963     
1 1 1 20 5  37 o 10.5208 3.62139 -0.849824    0.623587  -0.606721    0.641051  5.37989     238.394     3.07527     58.3936     
1 1 1 20 5  38 o 12.053  4.05494 -0.55281     0.687259  -0.174627    0.702675  7.56386     49.6469     1.55846     229.647     
1 1 1 20 5  39 f 12.1218 4.037   -0.502245    0.691757  -0.0112885   0.637672  12.7001     218.497     0           0           
1 1 1 20 5  40 o 8.58279 3.07554 -1.94318     0.720247  -1.78572     0.660905  1.39113     59.5156     7.66417     239.516     
1 1 1 20 5  41 o 16.6823 5.05542 1.06304      0.803354  0.492783     0.777543  16.6311     3.53693     4.5669      3.53693     
1 1 1 20 5  42 o 11.5203 3.91144 -0.816636    0.665734  0.0447387    0.697957  5.85128     26.6626     3.05423     206.663     
1 1 1 20 5  43 o 16.9587 5.04534 1.31433      0.791965  0.475595     0.758927  14.8406     318.585     0.429809    318.586     
1 1 1 20 5  44 o 17.2178 5.29044 0.817937     0.780777  1.30939      0.971394  13.8786     109.417     3.35519     289.417     
1 1 1 20 5  45 o 10.914  3.81931 -0.592275    0.832696  -0.934121    0.757613  4.68801     274.368     4.82779     94.3684     
1 1 1 20 5  46 o 12.3922 4.25001 0.307912     0.887563  -0.723063    0.795592  7.23244     72.8471     0.837861    72.8471     
1 1 1 20 5  47 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 6  0  o 71.9056 2.92858 9.66523      1.08321   9.66523      1.08321   76.4209     180         23.3529     8.65141e-06 
1 1 1 20 6  1  o 21.9899 4.97621 0.909289     0.640732  0.95194      0.641814  17.8329     34.4453     0.96421     34.4452     
1 1 1 20 6  2  o 13.1761 4.1323  -0.193246    0.565622  -0.119617    0.558352  1.50222     87.5965     17.9078     87.5965     
1 1 1 20 6  3  o 47.6797 3.49901 4.67202      0.854347  4.00368      0.845926  55.0838     291.341     2.22532     111.341     
1 1 1 20 6  4  o 14.4569 4.30721 -0.485915    0.57366   0.395656     0.597604  1.57135     256.243     11.5579     76.2434     
1 1 1 20 6  5  o 16.6798 4.57807 -0.18931     0.607754  0.705092     0.610749  4.66906     349.849     17.227      169.849     
1 1 1 20 6  6  o 26.4279 4.79125 0.963391     0.670018  1.8559       0.684663  23.5207     150.096     8.98524     330.096     
1 1 1 20 6  7  o 41.5422 3.87096 3.63233      0.817712  3.05433      0.804105  42.273      96.2665     12.4672     276.267     
1 1 1 20 6  8  o 37.8926 4.06474 2.77547      0.77759   2.83093      0.768948  40.02       122.607     7.3455      302.607     
1 1 1 20 6  9  o 26.1654 4.61698 0.616705     0.656157  2.15956      0.692521  17.0252     215.829     23.6882     35.8293     
1 1 1 20 6  10 o 15.8698 3.88282 -1.44096     0.527949  1.10929      0.588746  4.39259     143.34      2.18037     323.34      
1 1 1 20 6  11 o 81.0217 2.8905  12.0356      1.20935   12.7102      1.21001   125.27      301.102     56.4303     301.102     
1 1 1 20 6  12 f 39.8531 3.98297 2.47869      0.772354  3.80962      0.800172  40.1406     178.899     0           0           
1 1 1 20 6  13 o 17.7055 4.75864 0.249522     0.628628  0.66384      0.601887  3.95376     153.157     1.01485     153.157     
1 1 1 20 6  14 f 90.9156 2.96841 14.8459      1.43139   16.5         1.34948   106.069     201.115     0           0           
1 1 1 20 6  15 o 52.6725 3.66344 5.01902      0.987438  5.76999      0.981868  46.5222     105.724     32.1437     285.724     
1 1 1 20 6  16 f 51.9389 3.63591 5.91639      0.981686  4.62508      0.941709  41.6609     47.1393     0           0           
1 1 1 20 6  17 o 16.3429 4.62861 -0.264429    0.634863  0.687262     0.64328   10.928      6.83614     2.19903     6.83614     
1 1 1 20 6  18 o 25.1606 5.16476 1.1936       0.71267   1.48692      0.719234  17.9453     19.8341     20.5281     199.834     
1 1 1 20 6  19 o 31.8439 5.07132 1.60942      0.824184  2.72892      0.828875  32.3334     352.481     8.1181      172.481     
1 1 1 20 6  20 o 26.6834 5.04576 0.933829     0.778713  2.0758       0.724373  16.6662     240.095     27.4714     60.0946     
1 1 1 20 6  21 o 31.8593 5.03084 2.32125      0.835504  2.00081      0.785139  43.537      8.52477     15.4775     8.52477     
1 1 1 20 6  22 o 17.5758 4.83115 0.107447     0.656081  0.764566     0.654235  18.4342     97.7174     4.38681     97.7174     
1 1 1 20 6  23 o 25.3395 4.41206 0.25509      0.659049  2.43489      0.699103  28.6267     299.863     1.24861     299.863     
1 1 1 20 6  24 o 12.5834 4.09264 -0.0874699   0.604155  -0.697997    0.650944  5.97715     8.47791     10.7299     188.478     
1 1 1 20 6  25 o 18.3002 5.10573 0.0135577    0.735783  0.951935     0.764894  12.9175     129.869     12.5438     309.869     
1 1 1 20 6  26 o 25.9107 5.26373 2.19917      0.828419  0.857058     0.747777  31.7661     14.5693     7.6656      14.5693     
1 1 1 20 6  27 o 32.3388 5.05984 2.57957      0.833133  2.08811      0.820905  34.7939     355.374     3.0366      175.374     
1 1 1 20 6  28 o 19.4501 5.19641 0.855788     0.715668  0.666573     0.721833  19.2272     171.194     1.00616     351.194     
1 1 1 20 6  29 f 18.3653 4.96757 0.86142      0.67877   0.425267     0.659513  34.8263     3.41159     0           0           
1 1 1 20 6  30 o 23.6171 5.25082 1.34373      0.72582   1.28002      0.707505  22.2768     50.2073     6.27093     230.207     
1 1 1 20 6  31 o 16.3656 4.77757 0.101625     0.680885  0.643813     0.666137  14.5495     92.7314     2.68652     272.731     
1 1 1 20 6  32 o 13.6665 4.31555 0.280518     0.64324   -0.414456    0.638219  10.7613     34.6204     3.37778     34.6204     
1 1 1 20 6  33 o 16.2084 4.80468 0.508308     0.695246  0.331847     0.665575  16.1723     161.058     1.9485      161.058     
1 1 1 20 6  34 o 14.8576 4.51062 -0.361426    0.677923  0.646288     0.655514  12.2056     266.491     4.23722     86.4914     
1 1 1 20 6  35 o 19.1075 5.02198 1.43876      0.733203  0.285505     0.704258  22.9121     265.084     8.65251     265.084     
1 1 1 20 6  36 o 17.4311 5.00637 1.10696      0.771391  0.277779     0.678548  18.9968     140.892     5.68366     140.892     
1 1 1 20 6  37 o 14.9658 4.661   0.877775     0.778864  -0.548384    0.718589  12.9835     123.305     0.690478    303.305     
1 1 1 20 6  38 o 19.3593 5.35143 0.616488     0.820414  1.53711      0.8119    19.7984     93.213      2.19447     93.2129     
1 1 1 20 6  39 o 16.0363 4.86829 0.370003     0.774987  0.7843       0.706639  15.4386     101.472     3.76378     101.472     
1 1 1 20 6  40 o 12.2444 4.1527  0.287797     0.782634  -1.5372      0.806087  7.0932      294.713     6.53872     114.713     
1 1 1 20 6  41 o 14.0894 4.57309 0.61705      0.771163  -0.245253    0.791316  11.1744     45.384      1.32665     45.384      
1 1 1 20 6  42 o 13.4098 4.36395 0.667491     0.751244  -0.481648    0.680741  8.62846     105.367     0.557908    105.367     
1 1 1 20 6  43 o 13.5034 4.36928 0.901022     0.765915  -0.860667    0.693772  8.08563     279.669     5.27239     99.6692     
1 1 1 20 6  44 o 14.092  4.62892 0.421169     0.818602  0.225926     0.809275  8.9773      54.3155     2.26054     54.3155     
1 1 1 20 6  45 o 13.5962 4.50786 0.674532     0.824536  -0.236939    0.799395  8.09554     258.134     7.24316     78.1337     
1 1 1 20 6  46 o 16.6571 5.25177 1.01472      0.978079  1.15801      0.876431  13.4426     294.199     7.75331     294.199     
1 1 1 20 6  47 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 7  0  o 38.8223 4.16913 3.00118      0.781727  3.00118      0.781727  30.4278     180         33.9539     8.65163e-06 
1 1 1 20 7  1  o 21.2919 4.6844  0.356408     0.596874  1.33222      0.630179  11.8385     248.54      19.2317     68.5397     
1 1 1 20 7  2  o 24.6842 4.87884 1.09959      0.664182  1.34323      0.638233  24.1903     288.862     10.4804     288.862     
1 1 1 20 7  3  o 12.9318 4.03201 -0.641728    0.563959  0.155101     0.546982  2.76521     79.2233     23.0399     79.2233     
1 1 1 20 7  4  o 84.9888 2.85741 13.3362      1.26303   13.7832      1.24678   102.635     251.329     0.118639    251.33      
1 1 1 20 7  5  o 39.7357 3.93251 2.87262      0.786834  3.2669       0.785521  46.323      67.8233     0.977517    67.8234     
1 1 1 20 7  6  o 62.2427 3.1229  8.06893      1.01785   6.62314      0.979691  84.6089     267.629     21.007      267.629     
1 1 1 20 7  7  o 78.8403 2.88672 11.1476      1.17836   12.2558      1.17047   108.877     333.889     28.4356     333.889     
1 1 1 20 7  8  o 47.5147 3.49031 3.67013      0.832534  5.03839      0.842871  55.8795     148.462     0.0342231   328.459     
1 1 1 20 7  9  o 55.0844 3.32222 6.37226      0.966686  5.23315      0.909794  62.9478     79.042      4.98103     259.042     
1 1 1 20 7  10 o 41.6704 3.84274 3.83944      0.815467  2.95239      0.794209  59.7162     185.779     23.9084     185.779     
1 1 1 20 7  11 o 45.5827 3.60064 4.47616      0.857313  3.58475      0.810595  68.765      55.0749     32.1749     55.0749     
1 1 1 20 7  12 o 50.2253 3.53603 5.61171      0.950404  4.17993      0.860995  68.5843     124.099     19.1653     124.099     
1 1 1 20 7  13 o 82.0046 2.9249  12.0601      1.24323   13.452       1.23153   98.3708     223.324     0.25565     223.322     
1 1 1 20 7  14 o 33.3609 4.82302 2.41768      0.857793  2.16493      0.754343  28.1883     102.434     20.6201     282.434     
1 1 1 20 7  15 o 37.6879 4.95495 2.92067      0.886806  2.94781      0.97652   43.2895     121.443     0.419912    301.443     
1 1 1 20 7  16 o 23.1054 5.10161 0.517093     0.711231  1.62326      0.73743   28.3409     61.079      11.2159     61.079      
1 1 1 20 7  17 o 27.7092 5.02785 2.6075       0.802356  0.604883     0.829472  32.7094     59.7512     4.22139     59.7512     
1 1 1 20 7  18 o 58.8643 3.68675 5.96836      1.10367   7.68168      1.10601   81.6876     351.878     24.6968     351.878     
1 1 1 20 7  19 o 24.7863 4.90533 0.563148     0.711869  1.98578      0.723873  24.5807     296.87      5.81249     116.87      
1 1 1 20 7  20 o 46.311  3.80497 4.73188      0.952119  3.81066      0.841186  63.8408     69.3089     19.8146     69.3089     
1 1 1 20 7  21 o 27.8213 4.74972 1.05332      0.693035  2.26741      0.709179  33.1326     223.133     4.19773     223.133     
1 1 1 20 7  22 o 40.4916 4.00585 3.76951      0.817996  2.89321      0.804987  40.675      15.5811     12.5425     195.581     
1 1 1 20 7  23 o 16.0369 4.62984 0.562551     0.638222  -0.013558    0.610963  11.4536     152.286     9.26627     332.286     
1 1 1 20 7  24 o 48.3914 3.6808  5.15534      0.914424  4.27137      0.896618  51.513      341.721     9.2018      161.721     
1 1 1 20 7  25 o 14.6628 4.47005 0.647996     0.732004  -1.00377     0.634576  11.9837     271.705     1.19103     91.7055     
1 1 1 20 7  26 f 13.8543 4.41535 -0.36405     0.713588  0.0205867    0.641177  8.21143     159.708     0           0           
1 1 1 20 7  27 o 15.7177 4.6633  -0.00131795  0.617263  0.501266     0.681253  11.0023     103.709     5.29644     103.709     
1 1 1 20 7  28 o 17.0946 4.95521 0.234232     0.711558  0.60955      0.704862  16.8393     136.416     2.24372     136.416     
1 1 1 20 7  29 o 18.339  5.03494 0.264392     0.695142  0.962525     0.719324  20.1216     45.649      5.97347     45.649      
1 1 1 20 7  30 o 42.1981 4.39342 3.4338       0.948389  4.34319      0.889057  42.91       52.0555     9.62517     232.055     
1 1 1 20 7  31 o 21.0216 5.15449 1.34021      0.714746  0.737415     0.687025  25.9103     359.148     9.90358     359.148     
1 1 1 20 7  32 o 18.8427 5.03792 0.814943     0.683948  0.789382     0.663739  22.7851     24.8028     12.8323     24.8028     
1 1 1 20 7  33 o 21.8107 5.26447 0.98395      0.727778  1.4346       0.721888  25.8989     11.167      7.08542     11.167      
1 1 1 20 7  34 o 24.9088 5.08475 2.513        0.803675  0.747192     0.750315  17.6195     307.376     18.8834     127.376     
1 1 1 20 7  35 o 26.4131 5.37998 2.02834      0.79162   1.76034      0.763801  21.4719     69.7738     14.1277     249.774     
1 1 1 20 7  36 o 19.6264 5.19965 1.50592      0.754383  0.510613     0.771509  21.1877     310.203     3.68305     310.203     
1 1 1 20 7  37 o 15.1377 4.79414 0.530788     0.768442  0.0609994    0.802088  9.56987     177.847     9.81743     357.847     
1 1 1 20 7  38 o 11.4599 3.96278 0.0246532    0.810393  -1.87379     0.73081   6.33483     227.047     2.9524      47.0468     
1 1 1 20 7  39 o 16.7283 5.10586 0.947749     0.802605  0.501656     0.833809  5.93531     6.14273     21.8811     186.143     
1 1 1 20 7  40 o 13.3496 4.41547 -0.435361    0.819107  0.329425     0.744506  9.32901     108.493     4.12534     288.493     
1 1 1 20 7  41 f 12.5443 4.17678 -0.127873    0.715702  -0.00693609  0.687408  14.604      42.9724     0           0           
1 1 1 20 7  42 o 12.8862 4.22436 -0.624634    0.688438  0.55557      0.708252  7.3182      142.107     4.74312     322.107     
1 1 1 20 7  43 o 13.8197 4.42938 -0.338765    0.720334  0.74376      0.714815  3.91269     263.554     1.39883     263.554     
1 1 1 20 7  44 o 11.9053 4.07093 -0.395421    0.775181  -0.183618    0.758636  5.32286     124.548     0.22396     304.548     
1 1 1 20 7  45 o 13.9961 4.57491 0.283879     0.799906  0.511776     0.766386  10.8566     309.359     1.99028     309.359     
1 1 1 20 7  46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 8  0  o 89.2531 2.76909 14.8444      1.2755    14.8444      1.2755    120.228     180         23.3284     180         
1 1 1 20 8  1  o 27.0896 4.52854 2.30154      0.672833  0.688299     0.667597  18.1572     92.3241     23.9834     272.324     
1 1 1 20 8  2  o 33.0201 4.38894 1.17836      0.696488  3.36191      0.740137  32.1264     0.408727    10.6858     180.409     
1 1 1 20 8  3  o 32.1489 4.37838 1.67887      0.701967  2.46607      0.699588  12.9605     136.005     48.5932     316.005     
1 1 1 20 8  4  f 16.5709 4.61712 0.383225     0.590896  0.309026     0.575982  10.0689     45.0661     0           0           
1 1 1 20 8  5  f 30.1777 4.52887 2.84532      0.738894  0.95512      0.678551  33.7617     179.983     0           0           
1 1 1 20 8  6  o 18.485  4.77242 0.864069     0.637069  0.229102     0.592627  8.52298     10.4943     18.9983     190.494     
1 1 1 20 8  7  o 105.984 2.91184 21.8926      1.60496   20.482       1.58751   155.848     195.903     56.5646     195.903     
1 1 1 20 8  8  o 28.8138 4.76412 1.19894      0.697685  2.22706      0.725199  24.2617     336.845     16.1531     156.845     
1 1 1 20 8  9  o 51.3181 3.52794 5.73641      0.902472  4.45204      0.931331  65.3264     243.987     9.67906     243.987     
1 1 1 20 8  10 o 45.7242 3.73213 3.63436      0.838421  4.52531      0.894419  53.3326     335.003     0.651942    155.003     
1 1 1 20 8  11 o 52.0554 3.47778 5.4386       0.911081  5.02505      0.940309  80.9268     194.636     40.1423     194.636     
1 1 1 20 8  12 o 18.2523 4.77301 0.86327      0.611598  0.122423     0.655164  15.5569     102.682     3.05478     102.682     
1 1 1 20 8  13 o 56.8783 3.32029 6.31893      0.973051  6.14941      0.967309  80.4782     216.185     26.7434     216.185     
1 1 1 20 8  14 f 29.0929 4.83646 1.00986      0.728726  2.59171      0.770048  35.0917     271.578     0           0           
1 1 1 20 8  15 o 82.3639 3.5116  14.1433      1.57789   12.2192      1.40825   111.124     156.582     26.3234     156.582     
1 1 1 20 8  16 o 18.2328 5.09507 0.466738     0.719369  0.50902      0.705218  16.2269     228.226     2.9848      48.2258     
1 1 1 20 8  17 o 59.0269 3.96718 7.18703      1.22225   6.64117      1.17619   79.4366     209.875     19.9237     209.875     
1 1 1 20 8  18 o 25.1645 4.63014 2.35319      0.755351  0.304836     0.651169  32.6349     286.277     10.8493     286.277     
1 1 1 20 8  19 o 42.8079 3.95326 2.94715      0.832379  4.45583      0.845385  37.1974     208.154     25.6776     28.1545     
1 1 1 20 8  20 o 37.9477 4.19463 3.49592      0.820106  2.41331      0.764291  35.3184     249.493     17.3037     69.4929     
1 1 1 20 8  21 o 22.7747 5.04448 1.07572      0.672286  1.13965      0.652722  22.2285     246.419     5.03546     66.4192     
1 1 1 20 8  22 o 19.9784 4.90794 1.09063      0.660356  0.507156     0.611997  11.2685     66.3242     20.9984     246.324     
1 1 1 20 8  23 o 31.4749 4.65216 1.62758      0.731283  2.66132      0.74318   35.6246     193.615     0.338358    193.615     
1 1 1 20 8  24 o 33.1621 4.60256 2.59372      0.781811  2.12932      0.744282  30.0078     8.18483     15.3493     188.185     
1 1 1 20 8  25 o 17.2532 4.85089 1.01613      0.756898  -0.355989    0.667285  13.2442     176.376     8.55561     356.376     
1 1 1 20 8  26 o 16.4881 4.89608 0.234673     0.741483  0.384169     0.679032  15.9381     21.6613     4.53171     21.6613     
1 1 1 20 8  27 o 24.2708 4.96625 1.97808      0.734022  0.700834     0.685289  17.89       297.859     17.4688     117.859     
1 1 1 20 8  28 o 27.5231 5.06762 1.55331      0.729245  1.94333      0.737084  36.3212     96.4579     13.7314     96.4579     
1 1 1 20 8  29 o 19.3524 5.06089 0.473974     0.660932  1.11923      0.715965  23.2368     285.328     12.159      285.328     
1 1 1 20 8  30 o 13.0814 4.25233 -0.447798    0.683477  -0.0364822   0.651634  9.40673     343.069     1.81124     343.069     
1 1 1 20 8  31 o 19.6729 5.21252 0.695677     0.791862  1.05483      0.678431  16.6606     341.812     7.73566     161.812     
1 1 1 20 8  32 o 19.7999 5.02046 1.45479      0.707938  0.255844     0.746727  22.3964     298.135     4.91473     298.135     
1 1 1 20 8  33 o 19.8193 5.34344 0.84002      0.712686  1.17383      0.811775  20.8538     30.4489     1.48881     30.4489     
1 1 1 20 8  34 o 19.0831 5.0969  0.539529     0.764137  1.23041      0.687689  22.3632     86.043      7.66687     86.043      
1 1 1 20 8  35 o 15.0107 4.61418 0.565613     0.682105  0.0348868    0.679275  13.3686     23.3702     0.580945    203.37      
1 1 1 20 8  36 o 12.9046 4.19352 0.551921     0.727356  -0.917814    0.598028  8.95608     64.4362     1.40907     64.4362     
1 1 1 20 8  37 o 24.0129 5.60047 1.09319      0.869056  2.5227       0.886083  20.3096     5.7843      9.45307     185.784     
1 1 1 20 8  38 o 12.2022 4.09879 -0.652029    0.732186  -0.0006793   0.696095  6.23335     235.593     1.08147     235.593     
1 1 1 20 8  39 o 17.1984 5.18405 0.481884     0.795759  1.22926      0.854757  10.356      82.4432     13.39       262.443     
1 1 1 20 8  40 o 12.1719 4.11967 -0.598077    0.77262   -0.0136978   0.723919  7.35055     155.274     2.57844     335.274     
1 1 1 20 8  41 o 10.2441 3.56054 -1.69865     0.642853  -0.0927745   0.667555  2.88031     209.302     7.54997     29.3016     
1 1 1 20 8  42 o 13.4249 4.40476 0.236978     0.771134  0.104478     0.693039  8.14502     21.0416     4.36795     201.042     
1 1 1 20 8  43 o 13.2921 4.37819 0.0926616    0.734028  0.250176     0.73806   7.05014     58.078      1.46285     58.078      
1 1 1 20 8  44 o 11.3757 3.91603 -2.02862     0.711191  0.523603     0.775058  5.82864     10.564      3.57943     190.564     
1 1 1 20 8  45 o 15.841  4.9738  0.115571     0.785652  1.49002      0.893618  14.6658     159.944     3.46007     159.944     
1 1 1 20 9  0  o 78.2378 3.11411 11.5013      1.25372   11.5013      1.25372   66.0743     3.98121e-06 57.348      180         
1 1 1 20 9  1  o 20.7122 4.98549 0.987238     0.650598  0.62486      0.644037  7.31003     66.6583     29.5678     246.658     
1 1 1 20 9  2  o 22.7735 4.96885 0.790973     0.627115  1.28933      0.678954  12.6753     136.958     23.8649     316.958     
1 1 1 20 9  3  o 17.1098 4.2705  1.01118      0.571959  -0.431399    0.567284  7.53904     225.834     17.4627     45.8338     
1 1 1 20 9  4  o 19.8348 4.83193 0.759855     0.587469  0.70906      0.617526  4.38107     359.083     33.7215     179.083     
1 1 1 20 9  5  f 45.8332 3.58197 3.36091      0.794496  4.82917      0.866283  53.3807     333.531     0           0           
1 1 1 20 9  6  o 14.1226 4.24948 -0.105994    0.55483   0.194507     0.546089  0.444678    212.312     27.1901     212.312     
1 1 1 20 9  7  f 11.5175 3.74034 -0.498209    0.502243  -0.178621    0.522856  13.9092     46.5955     0           0           
1 1 1 20 9  8  o 66.6272 3.03504 7.92143      1.0376    8.98693      1.04457   77.8397     225.204     3.1151      45.2042     
1 1 1 20 9  9  o 36.891  4.03958 2.49787      0.745756  2.90943      0.745604  34.0031     140.777     17.8101     320.777     
1 1 1 20 9  10 o 23.0806 4.82912 0.755134     0.636151  1.41225      0.636986  25.5367     189.178     3.58893     189.178     
1 1 1 20 9  11 o 40.4621 3.95054 2.80259      0.768421  3.71274      0.839585  49.9602     252.419     6.03123     252.419     
1 1 1 20 9  12 o 47.0539 4.10407 5.80792      0.989612  3.17371      0.909155  56.9249     154.813     3.60587     154.813     
1 1 1 20 9  13 o 47.7165 4.06645 4.79657      1.04225   4.27498      0.929565  51.7267     22.1408     8.62444     202.141     
1 1 1 20 9  14 o 25.1125 5.21604 1.47289      0.744606  1.20962      0.705328  22.3263     255.318     10.998      75.3176     
1 1 1 20 9  15 o 30.1914 5.21362 1.86301      0.827771  2.03488      0.791392  32.0662     76.5588     4.14478     256.559     
1 1 1 20 9  16 o 15.8145 4.65016 0.384661     0.642754  0.0282603    0.62785   12.1797     10.2952     5.90298     190.295     
1 1 1 20 9  17 o 39.9014 4.19243 3.4579       0.862976  2.99229      0.817839  47.5735     332.029     2.67826     332.029     
1 1 1 20 9  18 o 17.0242 4.79141 0.264584     0.620521  0.538072     0.653635  16.2642     349.417     7.41073     349.417     
1 1 1 20 9  19 o 8.60352 3.01267 -1.59784     0.454416  -0.564095    0.507863  0.371677    106.454     7.36752     286.454     
1 1 1 20 9  20 o 26.348  4.75107 2.16251      0.698262  0.84024      0.682624  28.4401     219.433     1.5501      39.4329     
1 1 1 20 9  21 o 17.3075 4.80762 0.70631      0.661044  0.200662     0.623758  12.8837     45.7699     9.80913     225.77      
1 1 1 20 9  22 o 18.8643 4.55097 -0.066847    0.621786  1.24498      0.613838  22.0362     306.029     8.78825     306.029     
1 1 1 20 9  23 o 10.3826 3.5177  -0.956927    0.560486  -0.428516    0.536848  3.34899     70.9089     4.02832     250.909     
1 1 1 20 9  24 o 18.4253 4.55713 1.25385      0.649138  -0.0834633   0.570819  20.8926     317.458     7.51427     317.458     
1 1 1 20 9  25 o 19.8758 4.9713  1.15271      0.657773  0.443133     0.681398  17.8128     40.8761     12.5317     40.8761     
1 1 1 20 9  26 o 19.4521 5.22845 0.497129     0.781153  0.977036     0.710918  18.819      337.974     1.77874     157.974     
1 1 1 20 9  27 o 21.8859 5.16109 1.24026      0.706155  0.951206     0.671575  18.2101     321.762     10.3681     141.762     
1 1 1 20 9  28 o 12.2649 4.06044 -0.427115    0.609111  -0.361731    0.679225  5.25767     192.389     12.107      12.3893     
1 1 1 20 9  29 o 15.0357 4.45939 -0.643917    0.611186  0.798709     0.686955  14.1393     220.325     4.72314     220.325     
1 1 1 20 9  30 o 17.4012 5.10663 0.659094     0.766628  0.411237     0.750947  10.1171     51.4598     15.9015     231.46      
1 1 1 20 9  31 o 15.5722 4.71713 -0.39585     0.718805  0.753424     0.730813  14.6033     348.728     0.0163019   348.727     
1 1 1 20 9  32 o 17.4239 4.94837 1.25248      0.796157  -0.100647    0.665024  15.04       96.5376     5.14358     276.538     
1 1 1 20 9  33 o 15.1103 4.608   0.682505     0.712614  -0.106935    0.631598  8.1822      183.102     14.2147     3.10167     
1 1 1 20 9  34 o 17.6592 4.98754 0.495441     0.703652  0.975735     0.69979   19.9249     116.538     8.42079     116.538     
1 1 1 20 9  35 o 18.4569 5.15835 0.908893     0.7316    0.915633     0.728394  15.4208     132.993     6.04721     312.993     
1 1 1 20 9  36 o 13.1565 4.30928 -0.390709    0.720119  0.211703     0.697412  8.15298     135.929     1.99139     135.929     
1 1 1 20 9  37 o 13.7344 4.40298 0.664435     0.735436  -0.583977    0.678224  10.6293     75.1355     1.41236     255.135     
1 1 1 20 9  38 o 20.8175 5.11479 0.584262     0.742315  2.0196       0.765182  25.9516     99.7033     13.7724     99.7033     
1 1 1 20 9  39 o 16.0058 4.68178 -0.500864    0.781182  1.31903      0.716263  11.6134     292.399     6.67573     292.399     
1 1 1 20 9  40 o 11.3481 3.90543 -0.394676    0.739984  -0.682071    0.730364  5.16768     39.8128     4.91796     219.813     
1 1 1 20 9  41 o 10.4504 3.63825 -0.68675     0.710272  -0.817286    0.679263  0.980314    127.468     14.1838     307.468     
1 1 1 20 9  42 o 13.3336 4.30563 -0.503835    0.69837   0.691638     0.697753  6.37173     152.188     1.49618     152.188     
1 1 1 20 9  43 o 12.0035 4.09952 -0.42741     0.768897  -0.079565    0.7744    6.09355     30.8101     0.41254     210.81      
1 1 1 20 9  44 o 12.4442 4.22085 0.044763     0.786706  -0.213585    0.78431   8.14271     261.189     1.56572     81.1886     
1 1 1 20 9  45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 10 0  o 30.1997 5.13998 1.99653      0.697683  1.99653      0.697683  52.6416     360         39.7758     360         
1 1 1 20 10 1  o 49.6114 3.37875 5.06752      0.87096   4.42264      0.843591  72.2374     158.617     28.5348     158.617     
1 1 1 20 10 2  o 22.8189 4.90957 1.3528       0.660461  0.752958     0.63215   22.1123     123.069     3.3497      303.069     
1 1 1 20 10 3  o 47.2835 3.58362 4.74006      0.900485  3.95218      0.828169  51.4595     96.4851     8.36423     276.485     
1 1 1 20 10 4  o 66.813  3.03206 8.77842      1.05364   8.22657      1.03511   77.0441     101.877     4.98573     281.877     
1 1 1 20 10 5  o 35.4653 4.2857  2.65896      0.761149  2.39196      0.756958  30.8563     94.8274     20.5196     274.827     
1 1 1 20 10 6  o 30.3922 4.56226 2.8176       0.725425  1.07436      0.70219   28.9299     273.727     11.1824     93.7266     
1 1 1 20 10 7  o 13.2403 4.10863 0.0387519    0.540823  -0.189736    0.54803   1.0334      157.396     0.43344     337.396     
1 1 1 20 10 8  o 17.1708 4.64799 0.112093     0.579845  0.724229     0.615377  11.8483     322.902     3.70443     322.902     
1 1 1 20 10 9  o 37.6032 4.52454 2.14239      0.831549  3.69781      0.835954  37.5356     127.497     12.1173     307.497     
1 1 1 20 10 10 o 14.4776 4.36164 0.354898     0.603576  -0.343682    0.59255   7.93515     200.864     0.765136    20.8642     
1 1 1 20 10 11 o 25.7496 5.00582 1.04457      0.704234  1.75519      0.70408   34.8538     139.789     16.4729     139.789     
1 1 1 20 10 12 o 17.768  4.72601 -0.0544934   0.653765  0.895455     0.629079  8.35786     178.174     20.935      358.174     
1 1 1 20 10 13 o 22.0693 5.21905 0.853681     0.720713  1.12611      0.692931  18.798      353.915     10.2636     173.915     
1 1 1 20 10 14 o 46.5876 3.75057 5.25711      0.894522  3.40907      0.852547  51.9814     217.801     5.02452     37.8011     
1 1 1 20 10 15 o 28.6252 4.51942 2.66021      0.714389  0.866297     0.659987  34.4312     275.52      4.62928     275.52      
1 1 1 20 10 16 o 17.2897 4.26738 1.20895      0.630116  -0.649719    0.557647  14.9785     186.436     8.81232     186.436     
1 1 1 20 10 17 o 15.1147 4.54742 0.274956     0.649936  -0.0244752   0.603171  1.80194     291.354     28.3647     111.354     
1 1 1 20 10 18 o 15.8443 4.57475 0.490523     0.601357  0.0296596    0.613257  14.4155     0.381604    0.307552    0.381605    
1 1 1 20 10 19 o 23.4986 4.97392 1.33539      0.666555  1.05532      0.644313  27.457      87.6049     4.74033     87.6049     
1 1 1 20 10 20 o 32.4585 4.56482 1.75049      0.744387  2.76474      0.734193  47.5847     125.355     23.4096     125.355     
1 1 1 20 10 21 o 36.9298 4.35289 3.49307      0.810369  2.28217      0.779368  38.9769     53.0461     6.26159     233.046     
1 1 1 20 10 22 o 31.9036 4.87356 2.36939      0.749435  2.0878       0.815601  47.3791     82.6995     25.2314     82.6995     
1 1 1 20 10 23 o 29.6349 5.02519 1.52574      0.748535  2.43642      0.794295  32.9306     61.0946     0.228271    61.0946     
1 1 1 20 10 24 o 25.315  5.47457 1.16989      0.714239  1.85723      0.866355  16.6022     330.348     22.6091     150.348     
1 1 1 20 10 25 o 20.5007 5.31365 1.04969      0.689792  0.723561     0.81778   22.0711     283.893     14.8225     283.893     
1 1 1 20 10 26 o 27.638  5.46915 1.28686      0.933185  2.33349      0.794379  29.9932     336.537     0.0983491   156.537     
1 1 1 20 10 27 o 17.4758 4.9011  0.687005     0.694352  0.445548     0.629432  16.5491     113.873     1.2569      293.873     
1 1 1 20 10 28 o 15.6133 4.35843 -0.70402     0.625521  0.949275     0.621731  14.7987     326.788     0.369502    326.788     
1 1 1 20 10 29 o 14.8942 4.52729 0.453787     0.646635  -0.0617765   0.636361  11.3223     196.115     6.21881     16.1145     
1 1 1 20 10 30 o 10.4633 3.54153 -1.19793     0.613536  -0.224474    0.530388  4.32794     110.585     9.1693      290.585     
1 1 1 20 10 31 o 17.0766 4.85778 0.662084     0.66424   0.558072     0.654274  5.22688     18.0332     3.80054     18.0332     
1 1 1 20 10 32 o 15.8684 4.67314 0.862517     0.667632  -0.203035    0.715079  16.31       102.119     3.34331     102.119     
1 1 1 20 10 33 o 17.5393 5.11227 0.105255     0.792296  1.16976      0.796412  7.19562     127.758     21.9855     307.758     
1 1 1 20 10 34 o 13.4941 4.349   0.168431     0.709522  -0.0740438   0.630602  10.708      305.462     0.872856    305.462     
1 1 1 20 10 35 o 18.07   5.11235 1.1864       0.755928  0.562428     0.72366   19.0385     165.951     5.31422     165.951     
1 1 1 20 10 36 o 13.5478 4.39212 -0.150772    0.701968  0.294665     0.705923  10.3602     146.161     1.3073      146.161     
1 1 1 20 10 37 o 13.8647 4.44317 0.142749     0.695737  0.271835     0.68385   11.257      21.8078     0.578545    21.8078     
1 1 1 20 10 38 o 10.0697 3.49384 -0.7075      0.637379  -0.744353    0.610625  3.32796     126.02      1.7505      306.02      
1 1 1 20 10 39 o 12.0713 4.05366 -0.741139    0.737543  0.150112     0.678742  6.72594     289.403     2.78235     109.403     
1 1 1 20 10 40 o 15.6697 4.91972 0.644442     0.847045  0.674399     0.754736  10.8475     254.692     4.15008     254.692     
1 1 1 20 10 41 o 13.7198 4.48071 0.219891     0.743725  0.253508     0.748062  5.54263     350.62      1.66091     350.62      
1 1 1 20 10 42 o 16.8649 4.99298 1.62692      0.811755  0.0712306    0.799524  14.9505     237.443     7.36238     237.443     
1 1 1 20 10 43 f 14.9866 4.82292 0.584801     0.83861   0.69153      0.80845   8.52443     163.845     0           0           
1 1 1 20 10 44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 11 0  o 34.5772 4.96262 2.5325       0.787387  2.5325       0.787387  44.266      180         5.64561     180         
1 1 1 20 11 1  o 59.8859 3.57096 4.96725      1.02221   9.2754       1.10565   79.6055     204.889     17.8841     204.889     
1 1 1 20 11 2  o 35.1161 4.56299 2.80046      0.80198   2.24727      0.794946  41.5653     166.347     2.85955     166.347     
1 1 1 20 11 3  o 24.5903 5.04461 1.40631      0.694886  1.12519      0.6704    20.2929     245.148     13.6389     65.1481     
1 1 1 20 11 4  o 12.0958 3.92343 -0.239583    0.592375  -0.388003    0.520627  2.2402      284.155     14.7862     104.155     
1 1 1 20 11 5  o 28.536  4.83752 1.26084      0.699936  2.17428      0.734851  32.3073     218.163     1.15788     218.163     
1 1 1 20 11 6  o 15.0008 4.42278 0.385069     0.586312  -0.125604    0.585312  10.0184     202.149     4.07237     22.149      
1 1 1 20 11 7  o 19.6116 4.92372 0.486881     0.633389  0.937252     0.64448   6.96        228.163     28.8386     48.1632     
1 1 1 20 11 8  o 57.0395 3.57972 7.28784      1.06302   5.48302      1.01881   70.5709     124.945     6.87032     124.945     
1 1 1 20 11 9  o 38.7753 4.22275 2.74788      0.822724  3.33488      0.812276  55.3772     200.207     22.0378     200.207     
1 1 1 20 11 10 o 25.0264 5.09989 1.11067      0.70323   1.54452      0.705238  29.6042     195.926     5.16967     195.926     
1 1 1 20 11 11 o 32.442  4.55455 2.39121      0.756095  1.96841      0.722058  41.0259     353.759     8.55458     353.759     
1 1 1 20 11 12 o 28.7115 4.75286 2.00225      0.696519  1.47224      0.700181  30.5178     202.021     3.77861     22.021      
1 1 1 20 11 13 o 67.7322 3.1951  9.85413      1.13497   7.93545      1.08945   82.5088     297.733     5.66881     297.733     
1 1 1 20 11 14 o 56.5553 3.29355 6.58576      0.960995  5.87111      0.950698  62.0755     127.107     8.34762     307.107     
1 1 1 20 11 15 o 31.9863 4.53997 2.77955      0.741381  1.55967      0.713089  43.5441     148.768     15.4362     148.768     
1 1 1 20 11 16 o 24.2292 4.74305 1.99336      0.721624  0.535163     0.618926  21.2021     252.802     11.2592     72.8023     
1 1 1 20 11 17 o 44.8125 4.11616 4.89388      0.958634  3.35897      0.889085  46.9999     176.28      9.62481     356.28      
1 1 1 20 11 18 o 49.0631 4.0986  4.70461      0.970694  5.13978      1.07404   65.5642     10.6142     18.0911     10.6142     
1 1 1 20 11 19 o 63      3.58834 7.35575      1.03966   8.5284       1.28304   79.7569     215.846     13.4327     215.846     
1 1 1 20 11 20 o 11.7796 3.87832 -0.187418    0.592474  -0.649216    0.56893   5.98608     286.567     5.75593     106.567     
1 1 1 20 11 21 o 43.9099 4.01231 4.68221      0.95249   3.32814      0.826915  37.5961     102.454     25.5462     282.454     
1 1 1 20 11 22 o 23.7172 5.12102 1.50521      0.714554  1.04502      0.672115  21.421      343.263     8.50585     163.263     
1 1 1 20 11 23 o 51.108  3.81303 4.51973      1.00341   6.26037      0.938999  61.5576     110.386     6.44607     110.386     
1 1 1 20 11 24 o 10.6668 3.57808 -0.675808    0.547163  -0.371668    0.523875  4.32786     270.706     4.69701     90.706      
1 1 1 20 11 25 o 16.3088 4.67225 -0.183358    0.604903  0.851376     0.697939  5.7384      233.258     3.59353     233.258     
1 1 1 20 11 26 o 13.9006 4.44968 -0.116979    0.740368  -0.0686132   0.636357  10.6071     55.0362     3.40565     235.036     
1 1 1 20 11 27 o 11.7135 3.91953 -0.585497    0.679583  -0.391128    0.585299  7.29949     104         1.12324     284         
1 1 1 20 11 28 o 13.586  4.29612 -0.087911    0.647929  0.0833489    0.597151  10.9128     115.262     2.18562     295.262     
1 1 1 20 11 29 o 27.6211 5.04937 2.14338      0.749522  1.62034      0.715423  39.321      5.07569     20.6795     5.07569     
1 1 1 20 11 30 o 19.1096 4.73276 1.51076      0.681026  0.0722412    0.645209  23.9816     175.758     11.8533     175.758     
1 1 1 20 11 31 o 13.0751 4.17092 -0.258441    0.618867  0.207626     0.598619  9.14958     261.43      3.84622     261.43      
1 1 1 20 11 32 o 13.7905 4.29366 -0.394417    0.644329  0.506778     0.616404  11.8776     42.9602     3.24555     42.9602     
1 1 1 20 11 33 o 13.1973 4.30332 0.273498     0.690112  -0.56825     0.721653  9.35727     283.714     3.84282     103.714     
1 1 1 20 11 34 o 18.5249 5.36868 1.26772      0.839199  0.650205     0.836303  19.8449     253.04      10.4762     253.04      
1 1 1 20 11 35 o 13.9969 4.47198 -0.388384    0.779831  0.528719     0.680901  2.80877     172.389     1.39535     172.389     
1 1 1 20 11 36 o 13.8072 4.42529 -0.199186    0.709105  0.481286     0.691197  10.9414     148.907     0.76782     328.907     
1 1 1 20 11 37 f 10.8269 3.71516 -0.165103    0.672869  -0.985553    0.627449  7.50421     313.023     0           0           
1 1 1 20 11 38 o 13.3669 4.32703 0.258137     0.691798  0.0942876    0.656755  3.84491     282.706     1.37246     282.706     
1 1 1 20 11 39 o 20.6551 5.43968 1.11105      0.868253  1.88093      0.784815  23.1555     210.212     11.0994     210.212     
1 1 1 20 11 40 f 19.8186 5.53016 1.60955      0.855658  1.30869      0.823155  14.4723     13.3311     0           0           
1 1 1 20 11 41 o 13.2747 4.36221 -0.0919292   0.782929  0.376941     0.692431  8.74356     338.573     0.0533555   158.572     
1 1 1 20 11 42 o 12.5292 4.21087 -1.01688     0.743381  0.648639     0.788259  3.77074     2.20708     1.10374     2.20708     
1 1 1 20 11 43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 12 0  o 14.2106 5.60476 0.559791     0.614589  0.559791     0.614589  5.78169     180         20.7279     8.65183e-06 
1 1 1 20 12 1  o 15.9205 4.53857 0.460092     0.591967  0.117645     0.5737    10.1405     242.759     3.57058     242.759     
1 1 1 20 12 2  o 12.2295 3.90922 0.0185007    0.546006  -0.577703    0.539926  4.26605     170.517     11.5094     350.517     
1 1 1 20 12 3  o 48.7846 3.76408 5.43719      0.949824  3.99951      0.907932  60.9928     152.583     8.0024      152.583     
1 1 1 20 12 4  o 26.8783 4.93371 1.1434       0.691868  1.92615      0.72036   31.4059     177.41      3.63971     177.41      
1 1 1 20 12 5  o 37.9031 4.27962 2.54715      0.804844  3.29499      0.810463  53.7931     150.063     21.0711     150.063     
1 1 1 20 12 6  o 10.2603 3.39915 -0.955723    0.477175  -0.129812    0.46973   0.973277    110.014     13.8263     290.014     
1 1 1 20 12 7  o 23.2067 4.96314 1.07675      0.630581  1.18155      0.665075  27.9968     2.34883     6.96255     2.34883     
1 1 1 20 12 8  o 59.3902 3.20214 6.67801      1.00436   6.95892      0.949594  80.7908     296.289     22.2958     296.289     
1 1 1 20 12 9  o 26.0496 4.73735 1.26045      0.664773  1.59765      0.629617  23.8603     183.332     10.7216     3.33215     
1 1 1 20 12 10 o 17.7797 4.67682 0.454873     0.584583  0.639148     0.572286  10.788      302.334     16.1956     122.334     
1 1 1 20 12 11 o 21.367  4.65606 1.43375      0.630955  0.4008       0.591017  17.7333     325.852     11.1056     145.852     
1 1 1 20 12 12 o 21.8364 4.78378 1.36232      0.633121  0.605109     0.611098  28.8142     295.273     15.1233     295.273     
1 1 1 20 12 13 o 24.9531 5.08812 1.40585      0.65459   1.28217      0.740024  33.6001     35.6782     14.85       35.6782     
1 1 1 20 12 14 o 28.442  5.27011 1.2616       0.696259  2.36918      0.899284  26.2478     277.002     11.2675     97.0022     
1 1 1 20 12 15 o 15.5291 4.32016 0.788197     0.594865  -0.499136    0.57138   9.48402     219.228     12.4119     39.2278     
1 1 1 20 12 16 o 26.0413 5.06552 1.27068      0.773186  1.70323      0.662677  29.0771     64.6097     1.25415     64.6096     
1 1 1 20 12 17 o 22.8597 5.24261 1.58116      0.808212  0.751696     0.636254  22.2094     73.5642     4.6625      253.564     
1 1 1 20 12 18 o 17.0766 4.85742 0.726091     0.712255  0.0998476    0.631787  14.7281     231.26      4.1608      51.2596     
1 1 1 20 12 19 o 22.5288 5.17156 1.29349      0.69248   0.949753     0.701872  13.9657     53.6461     21.2929     233.646     
1 1 1 20 12 20 o 27.2934 4.951   1.69717      0.722854  1.63752      0.684874  37.0563     285.541     15.9971     285.541     
1 1 1 20 12 21 o 21.6907 5.06479 0.725599     0.698563  1.33545      0.668222  17.7643     200.559     10.821      20.5588     
1 1 1 20 12 22 f 13.0624 4.10145 0.130422     0.563917  -0.272482    0.560588  14.8037     166.326     0           0           
1 1 1 20 12 23 o 18.6274 4.76507 0.331043     0.614668  1.04067      0.623499  20.8042     302.293     6.08255     302.293     
1 1 1 20 12 24 o 18.5738 4.43951 -0.289344    0.623197  1.39366      0.627141  11.0693     214.273     8.18914     214.273     
1 1 1 20 12 25 o 33.1733 4.97498 2.25973      0.794237  2.85709      0.86588   28.6653     235.169     16.4871     55.1689     
1 1 1 20 12 26 o 18.8617 5.12822 1.07644      0.759439  0.466439     0.672183  22.5248     311.22      11.3498     311.22      
1 1 1 20 12 27 o 34.4143 5.07491 2.18366      0.939092  3.54393      0.816204  32.5618     215.89      11.0495     35.8905     
1 1 1 20 12 28 o 11.4036 3.78406 -0.743429    0.574263  -0.0694335   0.57994   3.44524     150.432     0.930199    150.432     
1 1 1 20 12 29 o 10.8963 3.65452 0.0718088    0.597934  -1.32405     0.550697  6.87292     287.048     2.08373     107.048     
1 1 1 20 12 30 o 13.2605 4.23628 -0.0787779   0.623626  0.107064     0.620168  10.3524     61.7967     2.99396     241.797     
1 1 1 20 12 31 o 12.211  4.01155 -0.526491    0.64455   0.048296     0.603388  7.65387     162.812     5.76413     342.812     
1 1 1 20 12 32 o 18.2838 5.08232 0.693883     0.707987  1.05834      0.715197  19.1226     303.628     3.83693     303.628     
1 1 1 20 12 33 o 13.6211 4.34643 -0.114648    0.681822  0.314879     0.63982   7.4865      58.6646     2.81074     58.6646     
1 1 1 20 12 34 o 20.3165 5.45458 0.906945     0.759898  1.70784      0.850476  19.1197     320.436     2.06705     140.436     
1 1 1 20 12 35 o 14.8205 4.67279 0.567617     0.695888  0.108416     0.793991  13.0493     212.722     3.47203     212.722     
1 1 1 20 12 36 o 11.7768 3.99652 -0.0463403   0.74995   -0.620298    0.643435  5.34303     261.086     0.507374    261.086     
1 1 1 20 12 37 o 13.2607 4.28999 0.195269     0.678155  0.132123     0.644727  7.62929     356.379     1.60144     356.379     
1 1 1 20 12 38 o 15.0442 4.6618  0.67255      0.703848  0.404204     0.690237  10.7866     80.2504     3.10311     80.2504     
1 1 1 20 12 39 o 11.8955 4.01919 0.0904282    0.732015  -0.557612    0.653411  5.00163     349.171     8.14709     169.171     
1 1 1 20 12 40 o 10.4799 3.62792 -0.265414    0.673523  -0.981325    0.645745  2.59084     277.845     1.32221     97.8453     
1 1 1 20 12 41 o 10.8684 3.72428 -0.0743532   0.669657  -0.709506    0.624619  4.20418     297.48      1.00354     117.48      
1 1 1 20 12 42 o 15.3038 4.79914 1.24106      0.81787   0.0661637    0.745372  13.8264     249.86      3.97529     249.86      
1 1 1 20 13 0  o 14.2393 5.4316  0.578435     0.556912  0.578435     0.556912  5.86756     180         21.2903     8.65149e-06 
1 1 1 20 13 1  o 27.817  4.51617 1.97346      0.646559  1.27044      0.639522  38.4672     339.579     16.1217     339.579     
1 1 1 20 13 2  o 22.9874 4.70187 0.721575     0.610662  1.47452      0.618374  24.2239     128.493     1.46444     308.493     
1 1 1 20 13 3  o 16.3359 4.34013 0.803709     0.557205  -0.142701    0.539558  9.88471     199.76      14.1428     19.7605     
1 1 1 20 13 4  o 39.7984 3.85967 4.0507       0.75873   2.37062      0.74349   58.9099     92.8373     26.8608     92.8373     
1 1 1 20 13 5  o 49.3674 3.39879 4.05235      0.842681  5.52522      0.857089  63.9762     228.003     13.1425     228.003     
1 1 1 20 13 6  o 26.3477 4.74233 1.33181      0.651818  1.60685      0.650207  29.1103     309.739     0.124388    129.739     
1 1 1 20 13 7  o 16.4585 4.63365 -0.0540683   0.538446  0.737218     0.686305  13.9832     52.8911     6.60716     52.8911     
1 1 1 20 13 8  o 23.3759 5.1181  1.40955      0.63321   0.847903     0.794528  26.7385     345.359     3.57486     345.358     
1 1 1 20 13 9  o 16.2302 4.50938 0.506209     0.568073  0.254591     0.548774  15.5213     281.491     5.00679     281.491     
1 1 1 20 13 10 o 14.6156 4.3107  0.438867     0.586172  -0.16452     0.532106  12.0275     156.746     0.155193    336.746     
1 1 1 20 13 11 o 65.6139 3.12853 8.70379      1.07752   8.04668      1.0381    89.2077     299.675     25.7194     299.675     
1 1 1 20 13 12 o 30.767  4.68354 2.2717       0.768524  1.77808      0.683368  38.2253     187.109     7.88106     187.109     
1 1 1 20 13 13 o 13.0047 4.06346 -0.30415     0.552706  0.118573     0.542221  7.7478      268.226     0.334481    268.226     
1 1 1 20 13 14 o 23.8897 4.92429 1.06458      0.643156  1.43765      0.66017   17.8976     299.859     16.8422     119.859     
1 1 1 20 13 15 o 44.2369 3.68003 4.45307      0.84251   3.4712       0.804757  52.7936     275.834     4.31453     275.834     
1 1 1 20 13 16 o 13.7143 4.04064 0.56942      0.55707   -0.692426    0.521651  9.47972     239.028     1.82208     239.028     
1 1 1 20 13 17 o 30.944  4.58368 2.61524      0.761492  1.57593      0.669638  42.3099     210.951     16.8255     210.951     
1 1 1 20 13 18 o 32.4312 4.82846 2.35069      0.803632  2.2779       0.768391  34.7281     3.65688     2.91092     183.657     
1 1 1 20 13 19 f 45.2462 3.8135  3.94935      0.849381  4.48133      0.90408   47.954      313.505     0           0           
1 1 1 20 13 20 o 18.9847 4.89389 0.671317     0.629875  0.816065     0.623368  18.8777     305.484     0.259264    125.484     
1 1 1 20 13 21 o 33.7039 4.4925  2.07504      0.752818  2.90294      0.753038  52.1843     161.886     31.5077     161.886     
1 1 1 20 13 22 o 16.565  4.73225 0.43868      0.648965  0.457517     0.607941  16.9225     54.4756     5.17856     54.4756     
1 1 1 20 13 23 o 9.59373 3.30675 -0.526571    0.553766  -1.05782     0.497898  2.20665     206.429     10.3604     26.4294     
1 1 1 20 13 24 o 60.14   3.41279 7.44847      1.07218   7.43014      1.03738   79.1411     16.0655     22.4513     16.0655     
1 1 1 20 13 25 o 14.1432 4.40839 -0.0918336   0.638993  0.249257     0.631561  11.5632     222.924     2.66865     42.9243     
1 1 1 20 13 26 f 15.942  4.84565 -0.228492    0.78588   0.689793     0.732624  24.6331     47.0277     0           0           
1 1 1 20 13 27 o 15.0929 4.37513 -1.10059     0.736874  0.915074     0.628139  13.1354     298.49      2.70361     118.49      
1 1 1 20 13 28 o 20.4749 4.88    1.58748      0.678346  0.474298     0.659403  17.5714     69.82       7.78071     249.82      
1 1 1 20 13 29 o 15.8188 4.55687 -0.0886773   0.634618  0.885844     0.632502  16.4495     74.9548     7.03882     74.9548     
1 1 1 20 13 30 o 12.9251 4.13983 0.351075     0.630748  -0.488533    0.601783  9.57375     43.1955     1.62132     43.1955     
1 1 1 20 13 31 o 15.5548 4.70102 0.707778     0.695813  0.191139     0.6664    12.9974     336.684     2.48635     156.684     
1 1 1 20 13 32 o 12.2882 4.0255  0.305471     0.648348  -0.722865    0.607389  7.56602     91.184      4.47314     271.184     
1 1 1 20 13 33 o 14.9742 4.57812 -0.0351978   0.671295  0.776352     0.681568  12.0936     21.327      5.31211     21.327      
1 1 1 20 13 34 o 12.3342 4.03086 -1.09961     0.660405  0.479423     0.650826  7.33443     151.548     6.22813     331.548     
1 1 1 20 13 35 o 18.4624 4.96338 0.597916     0.685216  1.42432      0.693458  20.3267     47.819      10.9016     47.819      
1 1 1 20 13 36 o 12.0269 4.02059 0.0887017    0.647555  -0.522968    0.700944  6.3649      95.761      4.91333     275.761     
1 1 1 20 13 37 o 13.2604 4.36917 0.597216     0.758849  -0.736122    0.781056  5.62883     143.624     0.859161    143.624     
1 1 1 20 13 38 o 11.7629 3.97689 -0.221691    0.738716  -0.246957    0.626152  2.94755     209.062     0.243851    29.0623     
1 1 1 20 13 39 o 12.5577 4.21311 -0.153857    0.776619  0.0449927    0.707182  7.33781     325.935     1.071       145.935     
1 1 1 20 13 40 o 13.7963 4.48398 0.546012     0.734889  0.13872      0.744473  8.81002     336.264     6.00119     156.264     
1 1 1 20 13 41 o 11.9641 4.05043 -0.22032     0.705518  -0.061381    0.724513  6.97299     14.0684     4.95606     194.068     
1 1 1 20 14 0  o 9.57058 4.59505 -0.288083    0.686782  -0.288083    0.686782  0.727388    2.61028e-05 1.22319     180         
1 1 1 20 14 1  f 33.5943 4.7253  1.88497      0.817925  2.91024      0.762627  49.1075     93.9835     0           0           
1 1 1 20 14 2  o 23.6938 4.55101 0.535102     0.607623  1.82907      0.641693  24.6597     125.405     2.28917     305.405     
1 1 1 20 14 3  o 13.9868 3.75373 0.866241     0.545565  -1.37443     0.470251  11.1622     241.196     0.928516    241.196     
1 1 1 20 14 4  o 24.7255 4.61167 0.6613       0.674342  1.90642      0.627216  32.4061     98.3929     12.3324     98.3929     
1 1 1 20 14 5  o 23.9543 4.75274 0.682031     0.68335   1.72727      0.634758  28.314      188.823     5.32545     188.823     
1 1 1 20 14 6  o 49.0388 3.6104  4.39912      0.937398  5.17211      0.852011  64.322      4.69663     15.566      4.69662     
1 1 1 20 14 7  o 15.3895 4.33937 -0.0609196   0.536094  0.587097     0.55433   13.8577     100.338     1.68726     100.338     
1 1 1 20 14 8  o 32.4038 4.27543 2.09382      0.698048  2.27865      0.684568  49.8871     187.951     28.8732     187.951     
1 1 1 20 14 9  o 13.8151 4.19657 0.216725     0.553964  -0.0942578   0.536609  9.99407     138.717     0.921994    138.717     
1 1 1 20 14 10 o 10.4214 3.43974 -0.893252    0.470171  -0.0741465   0.481019  1.66397     123.075     14.0582     303.075     
1 1 1 20 14 11 o 75.5157 2.97982 11.397       1.17319   10.7866      1.15024   100.317     259.008     25.6503     259.008     
1 1 1 20 14 12 o 20.5005 4.79101 1.08522      0.614027  0.691776     0.582843  24.4698     66.4856     8.42906     66.4856     
1 1 1 20 14 13 o 58.8463 3.28327 6.00566      0.978966  7.73867      0.995056  72.0111     225.998     8.5852      225.998     
1 1 1 20 14 14 o 19.5903 4.80019 1.02072      0.622882  0.565682     0.584433  18.4131     194.754     3.59956     14.7541     
1 1 1 20 14 15 o 9.45551 3.22297 -0.466229    0.474447  -0.831627    0.471086  1.78838     98.3137     4.10623     278.314     
1 1 1 20 14 16 o 25.0475 4.89102 1.25595      0.67418   1.55739      0.646172  21.8371     293.922     10.9826     113.922     
1 1 1 20 14 17 o 19.9048 5.01913 0.847148     0.691531  0.840498     0.616504  20.0817     131.159     0.209284    311.159     
1 1 1 20 14 18 o 21.5601 4.98719 1.48254      0.697548  0.569314     0.652648  27.7923     137.48      17.3882     137.48      
1 1 1 20 14 19 o 23.9753 4.91692 0.78557      0.676197  1.83729      0.693628  32.8229     169.569     17.4681     169.569     
1 1 1 20 14 20 o 16.2382 4.5731  0.168896     0.594622  0.656435     0.590642  8.82091     277.452     15.6162     97.4523     
1 1 1 20 14 21 f 30.7938 4.7223  2.0165       0.744418  2.29458      0.720331  40.1127     357.824     0           0           
1 1 1 20 14 22 o 31.9572 4.71136 2.42691      0.767616  2.24051      0.742863  32.5325     189.981     5.43812     9.98147     
1 1 1 20 14 23 o 26.0276 4.94036 1.11342      0.722667  2.1555       0.703832  28.1624     83.6016     0.385703    83.6016     
1 1 1 20 14 24 o 20.2196 4.99962 1.22245      0.666907  0.732425     0.646789  19.4466     135.646     2.95736     315.646     
1 1 1 20 14 25 o 13.8578 4.30393 0.191331     0.604625  0.0659887    0.586755  12.1378     99.8683     4.23779     99.8683     
1 1 1 20 14 26 o 12.6664 4.18504 -0.170496    0.725673  -0.323227    0.628926  3.46579     48.5673     18.1053     228.567     
1 1 1 20 14 27 o 19.0319 4.84915 -0.0207975   0.784773  1.47738      0.674019  23.4392     196.073     11.5887     196.073     
1 1 1 20 14 28 o 19.4347 4.40486 1.86226      0.680827  -0.30951     0.616537  21.1391     348.324     15.6792     348.324     
1 1 1 20 14 29 o 12.1639 3.99779 -0.0689696   0.622407  -0.259892    0.593584  6.0579      136.076     1.20775     136.076     
1 1 1 20 14 30 o 12.6453 4.11824 0.32074      0.664294  -0.589449    0.612311  7.83303     115.16      5.26431     295.16      
1 1 1 20 14 31 o 10.7755 3.64784 -0.513922    0.601421  -0.34045     0.561588  3.90021     253.54      0.734884    73.5403     
1 1 1 20 14 32 o 12.8779 4.08617 -1.14003     0.600463  0.733973     0.660174  2.52898     286.024     1.04006     286.024     
1 1 1 20 14 33 f 17.4291 5.02743 0.573874     0.734412  1.14734      0.73152   3.37303     172.002     0           0           
1 1 1 20 14 34 o 12.207  4.02582 -0.215699    0.643464  0.0774676    0.614649  4.14862     319.257     0.848872    319.257     
1 1 1 20 14 35 o 11.7352 3.87047 0.516546     0.64401   -1.24905     0.586589  4.55858     265.771     9.79327     85.7705     
1 1 1 20 14 36 o 15.6429 4.375   1.52989      0.697565  -1.02813     0.649874  12.7639     256.549     0.121365    76.5493     
1 1 1 20 14 37 o 13.2658 4.37645 0.152509     0.710402  0.0738888    0.771432  7.36893     285.907     0.721269    285.907     
1 1 1 20 14 38 o 12.3411 4.20121 0.116511     0.8107    -0.571444    0.779362  6.53194     17.6419     0.331572    197.642     
1 1 1 20 14 39 o 16.742  5.20519 1.58318      0.975801  0.559877     0.760876  13.8246     171.482     2.34751     351.482     
1 1 1 20 14 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 15 0  o 8.66293 4.07587 -0.0998306   0.491825  -0.0998306   0.491825  0.234413    1.49392e-07 11.9034     180         
1 1 1 20 15 1  o 25.4788 4.76063 1.27172      0.637827  1.54932      0.642395  32.6514     31.8697     10.9675     31.8697     
1 1 1 20 15 2  o 27.2408 4.79134 1.98039      0.652061  1.24517      0.725435  34.1556     36.486      9.16435     36.486      
1 1 1 20 15 3  o 26.3971 4.63581 2.19328      0.65223   0.821832     0.70315   27.6151     196.787     2.8141      16.7873     
1 1 1 20 15 4  o 16.9953 4.63719 0.484042     0.562734  0.48921      0.594373  10.5825     340.923     13.9122     160.923     
1 1 1 20 15 5  o 19.2914 4.73904 0.934859     0.586836  0.560304     0.590261  17.1406     73.3479     5.7835      253.348     
1 1 1 20 15 6  o 14.3224 4.1243  0.615249     0.548485  -0.522167    0.535299  10.3165     146.605     3.04331     146.605     
1 1 1 20 15 7  o 11.768  3.80265 -0.188853    0.549968  -0.26979     0.482664  4.86247     239.195     10.2762     59.1948     
1 1 1 20 15 8  o 11.1288 3.77002 -0.93943     0.681898  -0.538838    0.57137   3.07239     338.502     12.6691     158.502     
1 1 1 20 15 9  f 13.6143 4.26413 -0.896787    0.673453  0.325897     0.62459   10.5342     139.641     0           0           
1 1 1 20 15 10 o 21.0473 5.21237 0.606891     0.719082  1.25132      0.725095  22.7841     212.749     2.60318     212.749     
1 1 1 20 15 11 o 43.0065 4.07725 3.84087      0.830502  3.83215      0.935696  55.2333     172.747     13.1755     172.747     
1 1 1 20 15 12 f 42.0463 4.19581 3.99299      0.821249  3.41502      0.931596  46.1792     0.0137474   0           0           
1 1 1 20 15 13 o 21.5236 5.04586 1.22375      0.633972  0.792986     0.712484  15.2174     232.122     15.6966     52.1219     
1 1 1 20 15 14 o 28.4324 5.0391  1.60606      0.718166  2.0711       0.768958  29.0123     247.221     4.2521      67.2213     
1 1 1 20 15 15 o 16.2446 4.69614 0.0798064    0.577825  0.656005     0.692653  12.113      177.648     7.69535     357.648     
1 1 1 20 15 16 o 15.5843 4.42447 0.66921      0.589164  -0.048655    0.553094  14.4618     65.0575     1.49006     65.0575     
1 1 1 20 15 17 o 17.75   4.81551 0.635157     0.642722  0.587494     0.599884  1.70192     119.51      41.6085     119.51      
1 1 1 20 15 18 o 16.1137 4.47551 -0.178653    0.610946  0.831131     0.592159  16.3887     264.35      5.5362      264.35      
1 1 1 20 15 19 o 22.1042 5.09692 1.04269      0.678501  1.2671       0.668908  27.4453     39.5874     10.2611     39.5874     
1 1 1 20 15 20 o 14.8228 4.41175 0.21226      0.578749  0.320611     0.576204  13.9999     21.916      3.39263     21.916      
1 1 1 20 15 21 o 45.3595 3.81075 4.35113      0.881244  4.43177      0.875568  59.9114     104.655     18.7641     104.655     
1 1 1 20 15 22 o 24.7454 4.97282 1.59772      0.690488  1.39726      0.645853  32.0251     259.126     12.5762     259.126     
1 1 1 20 15 23 o 19.5891 4.91303 0.642783     0.654874  1.17765      0.633441  19.8446     209.265     0.26138     29.2649     
1 1 1 20 15 24 o 18.911  4.96252 0.673552     0.664258  1.05451      0.650279  16.1963     177.845     6.48494     357.845     
1 1 1 20 15 25 o 13.3123 4.19433 0.356482     0.614605  -0.307753    0.584879  5.65633     316.552     14.8264     136.551     
1 1 1 20 15 26 o 14.9863 4.66744 -0.173295    0.754499  0.56707      0.7054    12.7688     225.028     1.93468     45.0277     
1 1 1 20 15 27 o 14.8017 4.65263 0.480202     0.809547  0.0894331    0.609024  13.1179     21.6157     1.60589     21.6157     
1 1 1 20 15 28 o 17.3317 4.86482 1.00815      0.677602  0.473039     0.650611  17.1994     216.453     2.62236     216.453     
1 1 1 20 15 29 o 11.9087 3.92272 -0.00526855  0.598959  -0.330381    0.586848  7.13386     126.611     3.26427     306.611     
1 1 1 20 15 30 o 15.8472 4.58869 1.0129       0.654007  0.0173333    0.628413  12.4337     231.957     4.95257     51.9571     
1 1 1 20 15 31 o 13.4873 4.23583 -0.327177    0.664198  0.532002     0.595097  6.61957     346.923     2.88237     346.923     
1 1 1 20 15 32 f 10.3756 3.57176 -0.560401    0.627404  -0.632454    0.603706  12.2132     45.8072     0           0           
1 1 1 20 15 33 o 18.9242 5.05437 0.530909     0.717109  1.65702      0.741327  20.378      142.167     7.44514     142.167     
1 1 1 20 15 34 o 15.0526 4.62963 0.63889      0.683516  0.426362     0.667617  11.8205     61.3749     0.835506    61.375      
1 1 1 20 15 35 o 13.7062 4.36254 0.778727     0.717078  -0.347853    0.624214  8.73566     354.151     0.0614274   354.151     
1 1 1 20 15 36 o 13.224  4.30946 0.43724      0.7081    -0.120664    0.670022  6.39144     40.9905     9.7762      220.991     
1 1 1 20 15 37 o 15.9254 4.68279 -0.0874553   0.730996  1.33005      0.702562  14.2776     266.602     2.72308     266.602     
1 1 1 20 15 38 o 13.4053 4.34236 0.161565     0.704906  0.398626     0.664984  6.12432     121.709     2.46665     121.709     
1 1 1 20 15 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 16 0  o 17.7826 5.78086 0.925859     0.583635  0.925859     0.583635  18.0758     2.24276e-06 4.38519     180         
1 1 1 20 16 1  o 22.273  4.75994 1.00473      0.584303  1.16585      0.608828  29.7376     254.887     17.3003     254.887     
1 1 1 20 16 2  o 14.3335 4.16603 0.489161     0.534066  -0.147558    0.503775  3.06056     342.025     23.1121     162.025     
1 1 1 20 16 3  o 27.3957 4.47305 2.29338      0.658242  1.01242      0.629092  39.1086     272.139     20.4206     272.139     
1 1 1 20 16 4  o 38.8841 4.28846 3.4961       0.768703  2.86565      0.876801  48.9502     136.81      10.5371     136.81      
1 1 1 20 16 5  o 18.0306 4.60489 -0.0495113   0.547381  1.18615      0.670624  11.1629     74.974      7.48394     74.974      
1 1 1 20 16 6  o 28.6154 4.89136 2.34186      0.687205  1.30709      0.796557  35.9114     165.748     9.85703     165.748     
1 1 1 20 16 7  o 14.0259 4.22815 0.528366     0.602216  -0.714491    0.597447  10.5064     349.904     2.78186     169.904     
1 1 1 20 16 8  o 23.9654 5.29398 1.60425      0.73556   1.01349      0.756962  18.8523     328.616     14.1391     148.616     
1 1 1 20 16 9  o 16.3647 4.6889  0.665066     0.632145  -0.00542046  0.657424  12.2172     190.856     7.71542     10.8559     
1 1 1 20 16 10 o 15.937  4.83965 -0.0928935   0.594408  0.57116      0.836122  13.908      184.874     0.880774    4.87352     
1 1 1 20 16 11 o 13.054  4.26463 -0.578194    0.553294  0.0426864    0.769764  6.55871     255.918     10.6474     75.9183     
1 1 1 20 16 12 o 26.959  5.6269  1.63449      0.766585  1.85952      0.915617  34.028      218.106     11.2109     218.106     
1 1 1 20 16 13 o 20.8623 5.43709 0.986491     0.699214  0.935118     0.862308  5.8793      274.794     33.2721     94.7942     
1 1 1 20 16 14 o 37.4829 4.60406 3.29677      0.863028  2.90232      0.859134  45.8731     265.554     8.5468      265.554     
1 1 1 20 16 15 o 26.9675 5.17997 2.35121      0.768623  1.11198      0.810951  37.6312     221.054     19.2144     221.054     
1 1 1 20 16 16 o 15.1861 4.62509 -0.189746    0.636328  0.530185     0.711974  7.30371     316.208     15.9974     136.208     
1 1 1 20 16 17 o 17.7563 4.9457  0.346586     0.640601  0.884359     0.714867  17.2212     54.1905     0.521974    234.191     
1 1 1 20 16 18 o 9.36182 3.24651 -1.51095     0.499735  -0.374862    0.552816  2.91213     27.9238     2.65902     207.924     
1 1 1 20 16 19 o 13.5795 4.3307  -0.176793    0.619982  0.101894     0.67131   8.28555     154.885     3.6786      154.885     
1 1 1 20 16 20 o 12.3301 3.97675 0.241218     0.601729  -0.796033    0.581359  6.85603     296.122     2.2637      296.122     
1 1 1 20 16 21 o 14.6844 4.51746 -0.191485    0.768487  0.435265     0.584863  11.5426     15.0365     4.97029     195.037     
1 1 1 20 16 22 o 11.2255 3.81569 -0.0895793   0.716921  -0.918198    0.513414  0.770956    307.474     0.237187    307.474     
1 1 1 20 16 23 o 29.726  5.15355 1.75368      0.906598  2.837        0.742993  30.0695     9.5892      3.88345     189.589     
1 1 1 20 16 24 o 17.9533 4.88066 1.4241       0.763846  0.068535     0.610698  20.3523     182.792     8.30226     182.792     
1 1 1 20 16 25 o 12.9394 4.18163 0.49686      0.724899  -0.581791    0.521425  9.55409     112.359     0.572872    112.359     
1 1 1 20 16 26 o 11.9769 3.98831 -1.15841     0.726111  0.138774     0.638474  7.12652     79.8208     3.82823     259.821     
1 1 1 20 16 27 o 9.49594 3.32088 -0.944554    0.67635   -0.814166    0.496208  2.65785     112.713     3.79584     292.713     
1 1 1 20 16 28 o 13.6997 4.22491 -0.344818    0.612384  0.623544     0.596472  10.8052     191.143     1.88725     191.143     
1 1 1 20 16 29 o 14.1602 4.39108 0.120352     0.63567   0.479225     0.614479  9.15261     345.015     4.1021      345.015     
1 1 1 20 16 30 o 15.9451 4.74132 0.555295     0.712305  0.696601     0.629225  13.4184     123.948     7.22226     123.948     
1 1 1 20 16 31 o 16.56   4.8416  0.573218     0.702864  0.932642     0.670276  14.8598     293.296     0.253186    293.297     
1 1 1 20 16 32 o 27.7927 5.33405 3.03652      0.836245  1.78704      0.80395   30.562      211.892     4.77644     211.892     
1 1 1 20 16 33 o 11.7394 3.89233 -0.712939    0.646571  0.239692     0.601621  4.88741     39.37       2.56432     219.37      
1 1 1 20 16 34 o 19.7368 5.02658 1.97465      0.75701   0.467837     0.720781  18.7412     224.845     0.602008    224.845     
1 1 1 20 16 35 o 20.5536 5.32292 1.11965      0.780354  1.85522      0.761606  22.6782     6.95458     14.1543     6.95458     
1 1 1 20 16 36 o 21.6236 5.40229 1.75065      0.767159  1.64243      0.743201  22.831      94.3064     4.76558     94.3064     
1 1 1 20 16 37 f 18.1387 5.01608 0.744037     0.740872  1.49467      0.701042  6.43704     252.486     0           0           
1 1 1 20 16 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 17 0  o 8.73166 4.06482 -0.0355784   0.468619  -0.0355784   0.468619  1.11034     180         8.78829     360         
1 1 1 20 17 1  o 8.59471 2.9568  -0.678322    0.418836  -0.638669    0.421828  5.53532     237.192     26.2047     237.192     
1 1 1 20 17 2  f 32.1754 4.8023  2.40691      0.712666  2.17898      0.836842  33.9812     286.286     0           0           
1 1 1 20 17 3  o 18.3948 4.60107 1.11163      0.573495  -0.0613392   0.70168   15.0156     40.3576     7.60983     220.358     
1 1 1 20 17 4  o 31.6469 4.96168 2.53827      0.793808  1.97471      0.795246  48.0029     293.043     28.9478     293.043     
1 1 1 20 17 5  o 28.667  5.11403 2.2433       0.76087   1.53391      0.779817  40.3015     176.403     20.2191     176.403     
1 1 1 20 17 6  o 10.9659 3.61638 -0.254136    0.54252   -0.409473    0.45868   3.67974     36.3819     10.8238     216.382     
1 1 1 20 17 7  o 21.5024 4.97685 1.39959      0.703915  0.693489     0.601228  21.0208     243.329     2.82895     63.3293     
1 1 1 20 17 8  o 33.4251 4.6254  2.98444      0.833478  1.99198      0.715353  42.7819     163.185     12.2574     163.185     
1 1 1 20 17 9  o 20.7534 4.89645 0.643475     0.686702  1.23064      0.606196  20.9023     148.345     1.01804     328.345     
1 1 1 20 17 10 o 27.4216 4.8221  1.80513      0.698047  1.63382      0.667533  19.9957     249.404     20.2046     69.4043     
1 1 1 20 17 11 o 17.5666 4.58529 0.964207     0.594417  0.20888      0.570611  17.6129     192.755     1.02063     192.755     
1 1 1 20 17 12 o 23.0962 4.96604 1.33731      0.662544  1.16966      0.633015  11.9312     332.073     26.2255     152.073     
1 1 1 20 17 13 o 13.0819 4.02008 -0.332484    0.520919  0.33908      0.535976  9.24168     297.985     2.60113     297.985     
1 1 1 20 17 14 o 18.7021 4.78325 1.00151      0.620397  0.526156     0.593092  13.2993     303.274     12.3358     123.274     
1 1 1 20 17 15 f 12.049  3.86159 0.0374243    0.53487   -0.298537    0.513315  12.0915     122.175     0           0           
1 1 1 20 17 16 o 25.9796 5.06383 1.40253      0.767097  1.89319      0.672115  28.2992     296.475     1.17686     296.476     
1 1 1 20 17 17 o 16.9167 4.60249 0.0265975    0.649655  0.953487     0.596101  18.7451     322.209     6.77515     322.209     
1 1 1 20 17 18 o 26.0209 5.09403 1.28559      0.824262  2.10881      0.680363  30.2094     241.625     5.33108     241.625     
1 1 1 20 17 19 o 18.2719 4.86838 0.379623     0.716118  1.07426      0.622064  17.5686     166.242     1.5445      346.242     
1 1 1 20 17 20 o 19.9801 4.96719 1.63117      0.720857  0.228474     0.726032  20.331      198.409     0.0323205   198.41      
1 1 1 20 17 21 o 16.0984 4.76287 0.56121      0.68304   0.423723     0.649236  15.7314     174.516     1.90063     174.516     
1 1 1 20 17 22 o 13.8489 4.33763 -0.0418739   0.591115  0.344153     0.647485  11.7138     168.532     1.52811     168.532     
1 1 1 20 17 23 o 11.4671 3.79921 0.0512587    0.572213  -0.788738    0.604021  6.14306     202.052     0.525029    22.0522     
1 1 1 20 17 24 o 16.3981 4.77255 0.884633     0.663064  0.249312     0.691327  4.35515     273.757     2.80268     273.757     
1 1 1 20 17 25 o 18.3305 5.11313 0.505062     0.67305   1.3384       0.787324  19.2563     268.763     5.15046     268.763     
1 1 1 20 17 26 o 13.8915 4.41033 -0.486155    0.742839  0.569911     0.668196  10.7481     224.895     1.41708     44.8952     
1 1 1 20 17 27 o 16.0556 4.62887 1.51838      0.780287  -0.901256    0.675515  14.0177     319.248     7.55473     319.248     
1 1 1 20 17 28 o 23.0623 5.4116  1.9703       0.765456  1.38661      0.779204  30.4718     17.1383     19.5525     17.1383     
1 1 1 20 17 29 o 18.2491 5.14796 0.579622     0.709497  1.49366      0.797332  14.697      19.2118     5.65225     199.212     
1 1 1 20 17 30 o 15.1253 4.64575 -0.202006    0.650032  1.10312      0.766521  12.334      317.139     1.00949     317.139     
1 1 1 20 17 31 o 15.6038 4.72361 0.591562     0.691001  0.672897     0.671705  10.2018     270.601     7.40223     90.6007     
1 1 1 20 17 32 o 17.1287 4.94702 1.10427      0.736954  0.68964      0.656258  15.6339     5.13844     3.23711     5.13844     
1 1 1 20 17 33 o 18.591  4.46348 -0.494599    0.676068  2.07738      0.709333  17.9888     32.745      1.80061     32.745      
1 1 1 20 17 34 o 19.8981 5.28151 1.171        0.778055  1.66005      0.736283  21.5841     126.772     7.89164     126.772     
1 1 1 20 17 35 o 16.6501 4.88382 0.6787       0.718707  1.12118      0.691113  15.9058     181.305     4.0852      181.305     
1 1 1 20 17 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 18 0  o 36.6571 5.16995 2.97464      0.872078  2.97464      0.872078  69.3969     360         55.5046     360         
1 1 1 20 18 1  o 15.1808 4.5355  0.401839     0.594102  0.0614947    0.651069  8.2871      207.594     4.53234     207.594     
1 1 1 20 18 2  o 23.445  5.27058 1.37183      0.703315  1.25034      0.740858  19.8682     11.9443     10.2836     191.944     
1 1 1 20 18 3  o 17.9936 4.7762  0.491899     0.661403  0.791993     0.570152  14.8688     253.956     6.76432     73.9555     
1 1 1 20 18 4  o 33.6216 4.63361 2.25049      0.812574  2.81786      0.736835  44.2788     119.969     15.2148     119.969     
1 1 1 20 18 5  o 21.8126 4.77446 1.08349      0.589161  1.10725      0.60078   28.2076     315.574     13.2758     315.574     
1 1 1 20 18 6  f 39.9239 3.88174 2.89991      0.775804  3.87116      0.767604  30.8039     32.999      0           0           
1 1 1 20 18 7  o 13.9577 4.14567 0.0898311    0.533595  0.305342     0.491289  8.6769      264.293     9.4909      84.2927     
1 1 1 20 18 8  o 13.3072 4.03667 -0.0468128   0.520003  0.260307     0.492324  9.20786     170.141     3.28141     170.141     
1 1 1 20 18 9  o 42.8398 3.7279  4.26442      0.819422  3.48988      0.795013  50.6059     334.526     5.9184      334.526     
1 1 1 20 18 10 o 14.012  4.08709 0.597719     0.531218  -0.329513    0.516825  12.3441     217.352     3.99542     217.352     
1 1 1 20 18 11 o 27.1041 4.71491 1.88352      0.667597  1.55749      0.651135  27.0421     7.30107     4.44414     187.301     
1 1 1 20 18 12 o 13.0614 4.00399 0.35847      0.537627  -0.241799    0.493399  9.05389     88.7242     5.79367     268.724     
1 1 1 20 18 13 o 10.4921 3.47972 -0.677675    0.488525  -0.100162    0.487226  4.71708     255.898     7.99115     75.8977     
1 1 1 20 18 14 o 17.7962 4.50677 0.119571     0.598408  1.13722      0.577742  19.1492     296.978     3.55114     296.978     
1 1 1 20 18 15 o 13.5867 4.15347 0.187595     0.537771  0.151285     0.534493  12.0676     317.31      1.54989     317.31      
1 1 1 20 18 16 o 18.4117 4.81528 0.84489      0.631857  0.773028     0.58554   19.5671     256.117     2.78182     256.117     
1 1 1 20 18 17 o 15.4391 4.22103 -0.345528    0.556033  0.959704     0.562976  14.6265     57.5536     8.43549     57.5536     
1 1 1 20 18 18 o 25.6832 4.96004 2.17598      0.745231  1.24315      0.638072  28.9464     265.227     4.01098     265.227     
1 1 1 20 18 19 o 15.9438 4.62415 0.654368     0.623154  0.356636     0.606238  13.8333     112.703     7.83577     112.703     
1 1 1 20 18 20 o 9.84466 3.36716 -0.480041    0.52577   -0.693926    0.524945  3.49421     49.6421     6.80685     229.642     
1 1 1 20 18 21 o 13.1119 4.14207 0.0588056    0.587083  0.145452     0.564209  7.76097     295.041     7.74121     115.041     
1 1 1 20 18 22 o 21.481  4.54025 0.083704     0.707123  2.13886      0.681471  19.6088     173.298     4.57847     353.298     
1 1 1 20 18 23 o 18.2319 4.67811 1.71418      0.729477  -0.188617    0.625356  18.1314     187.61      1.61709     187.61      
1 1 1 20 18 24 o 12.6032 3.89471 -0.964326    0.570584  0.625671     0.550318  5.54255     210.158     1.8124      210.159     
1 1 1 20 18 25 o 16.1744 4.78601 0.943427     0.698517  0.276552     0.683385  1.99503     133.423     1.30816     133.423     
1 1 1 20 18 26 f 11.3738 3.87805 -0.266679    0.688941  -0.68736     0.679449  5.96079     353.605     0           0           
1 1 1 20 18 27 o 12.1479 4.10187 0.142855     0.81188   -0.496155    0.579076  3.32296     217.73      0.607724    217.73      
1 1 1 20 18 28 o 9.34965 3.22564 -1.19634     0.538308  -0.242993    0.507914  0.645406    15.8299     0.984363    195.83      
1 1 1 20 18 29 o 12.0989 3.99197 -0.00609447  0.610795  -0.0980222   0.621472  5.81693     267.512     2.55957     87.5116     
1 1 1 20 18 30 o 12.8633 4.0627  -0.81425     0.609281  0.707498     0.617061  6.41246     15.5666     0.156513    15.5666     
1 1 1 20 18 31 o 19.761  5.25081 1.54518      0.75863   1.11998      0.707465  21.4363     45.5444     10.7264     45.5444     
1 1 1 20 18 32 o 11.9537 3.95305 -0.360409    0.653153  0.198992     0.594402  4.67445     350.591     10.3842     170.591     
1 1 1 20 18 33 o 10.4121 3.55776 -0.715194    0.606119  -0.149353    0.573911  4.18531     32.9045     5.1428      212.904     
1 1 1 20 18 34 o 15.9077 4.70157 1.3524       0.727048  0.0499298    0.66541   13.7958     189.516     0.232197    9.51571     
1 1 1 20 18 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 19 0  o 13.2522 5.94397 0.386334     0.884843  0.386334     0.884843  12.1674     8.17894e-06 2.37489     180         
1 1 1 20 19 1  o 12.5224 4.19172 -0.0502173   0.869484  -0.440883    0.458956  7.30287     261.9       1.95712     261.9       
1 1 1 20 19 2  o 19.0055 4.63714 -0.435945    0.900975  1.32399      0.576818  17.3976     305.397     4.09978     125.397     
1 1 1 20 19 3  o 21.3928 4.55128 0.567555     0.58829   1.53689      0.590305  27.6075     69.2852     12.7174     69.2852     
1 1 1 20 19 4  o 15.2383 4.12816 0.901612     0.553227  -0.305541    0.489738  15.3527     276.165     6.77591     276.165     
1 1 1 20 19 5  o 15.3427 4.34291 0.367419     0.523373  0.449691     0.52524   13.2866     128.835     7.41418     128.835     
1 1 1 20 19 6  o 17.0398 4.55793 0.584854     0.563443  0.632545     0.541012  18.9374     51.2114     6.88502     51.2114     
1 1 1 20 19 7  o 14.592  4.25525 0.317464     0.528517  0.318699     0.51317   9.3914      234.655     9.87797     54.6549     
1 1 1 20 19 8  o 15.8764 4.40987 0.489277     0.548662  0.482229     0.512813  16.856      33.4304     6.90685     33.4304     
1 1 1 20 19 9  o 21.0936 4.52698 1.6137       0.603603  0.46273      0.58871   24.217      271.339     5.3083      271.339     
1 1 1 20 19 10 o 26.1976 4.70503 1.57575      0.647886  1.7305       0.633858  34.1155     112.795     13.37       112.795     
1 1 1 20 19 11 o 13.4082 4.07331 -0.0465605   0.523466  0.349055     0.514845  11.7473     285.243     0.894392    285.243     
1 1 1 20 19 12 o 18.1847 4.4539  1.2346       0.581314  0.237551     0.539217  17.5258     85.4466     1.61727     265.447     
1 1 1 20 19 13 o 30.6744 4.53709 2.37307      0.71759   2.10253      0.679273  23.7783     270.873     19.0621     90.8726     
1 1 1 20 19 14 o 25.3783 4.80996 1.71274      0.654524  1.50847      0.638203  27.0216     28.0293     0.631574    28.0293     
1 1 1 20 19 15 o 13.0437 3.92033 0.607116     0.534732  -0.575049    0.497132  8.44407     187.652     6.94372     7.65152     
1 1 1 20 19 16 o 11.6388 3.75201 -0.151606    0.499791  -0.0191361   0.502385  6.41157     272.043     6.59318     92.0432     
1 1 1 20 19 17 o 11.9227 3.83203 -0.0492754   0.552319  -0.0411861   0.480932  1.86181     198.938     0.506544    198.938     
1 1 1 20 19 18 o 12.8526 3.9649  -0.376756    0.540536  0.458731     0.523     9.03318     288.349     1.98607     108.349     
1 1 1 20 19 19 o 13.3432 4.18045 0.0510157    0.594159  0.248742     0.559265  8.47192     290.049     2.34823     290.049     
1 1 1 20 19 20 o 16.8494 4.73146 0.659523     0.608862  0.749818     0.625231  14.4685     289.62      8.50221     289.62      
1 1 1 20 19 21 o 12.5157 3.998   0.144696     0.579332  -0.0252792   0.523932  7.92939     263.293     0.883276    263.293     
1 1 1 20 19 22 o 15.6662 4.50736 0.28119      0.628543  0.784987     0.566713  14.8148     302.179     5.90617     302.179     
1 1 1 20 19 23 o 12.3307 3.92647 0.449871     0.582278  -0.42988     0.506044  8.33103     231.405     0.0129427   231.405     
1 1 1 20 19 24 o 16.2008 4.61312 1.03033      0.640275  0.280275     0.593353  10.5121     18.2483     9.9826      198.248     
1 1 1 20 19 25 f 17.0615 4.22558 -0.589476    0.622701  1.57516      0.614976  7.10034     308.631     0           0           
1 1 1 20 19 26 o 12.8029 4.2454  0.211286     0.799726  -0.186319    0.596053  6.7144      86.2429     0.047645    86.2428     
1 1 1 20 19 27 o 19.0772 5.38082 1.55165      0.957113  1.02035      0.654244  18.9763     359.732     5.43833     359.732     
1 1 1 20 19 28 o 18.2166 5.06496 1.24541      0.733477  0.862506     0.671812  15.886      214.922     1.15535     34.922      
1 1 1 20 19 29 o 11.7874 3.88729 0.293266     0.604863  -0.571461    0.593558  1.67077     193.53      0.056361    193.53      
1 1 1 20 19 30 o 14.8099 4.60237 0.508896     0.684606  0.578523     0.679391  11.0719     146.382     2.4836      326.382     
1 1 1 20 19 31 o 13.7327 4.24938 0.906895     0.64474   -0.315991    0.583883  7.99815     265.428     3.07868     265.428     
1 1 1 20 19 32 o 16.0444 4.74722 1.267        0.722369  0.246491     0.660202  14.8475     191.322     2.86309     191.322     
1 1 1 20 19 33 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 20 0  o 10.1535 4.66007 0.107935     0.58484   0.107935     0.58484   6.66409     180         2.51572     8.65923e-06 
1 1 1 20 20 1  o 10.1689 3.36207 -0.0885974   0.414958  -0.61462     0.496822  5.07463     316.515     0.890752    136.515     
1 1 1 20 20 2  o 18.0566 4.95927 0.485575     0.692698  0.977528     0.668851  17.0881     27.1352     1.72891     207.135     
1 1 1 20 20 3  o 20.4115 3.94803 2.18327      0.675248  -0.420251    0.495058  27.6748     222.06      15.8897     222.06      
1 1 1 20 20 4  o 25.2672 4.46243 2.22414      0.633034  0.891056     0.612207  35.2579     77.6774     18.7044     77.6774     
1 1 1 20 20 5  o 24.675  4.74714 1.61351      0.626688  1.39037      0.622677  18.1282     334.691     16.4852     154.691     
1 1 1 20 20 6  o 13.2577 3.82806 0.677543     0.502247  -0.491628    0.446266  11.6202     156.261     1.28443     156.261     
1 1 1 20 20 7  f 20.2423 4.8209  1.07538      0.607482  0.97793      0.590346  24.9575     20.9173     0           0           
1 1 1 20 20 8  o 18.2051 4.69127 0.791554     0.578352  0.797352     0.570433  18.1964     286.038     0.613072    286.038     
1 1 1 20 20 9  o 11.2557 3.50832 -0.737225    0.458117  0.33413      0.438496  6.94909     153.704     3.58272     333.704     
1 1 1 20 20 10 o 12.9945 4.00309 0.186191     0.5355    0.106001     0.474939  9.31061     292.485     3.97564     112.485     
1 1 1 20 20 11 o 12.031  3.66667 0.62426      0.53094   -0.947026    0.417041  4.33053     112.74      1.38643     112.74      
1 1 1 20 20 12 o 16.9274 4.59633 0.842005     0.614994  0.509663     0.519557  17.9599     359.724     7.19389     359.724     
1 1 1 20 20 13 o 15.1631 4.43326 0.689735     0.633967  0.207974     0.503406  12.6113     357.445     2.14344     177.445     
1 1 1 20 20 14 o 13.3896 4.07247 0.593311     0.579842  -0.235696    0.477539  3.97581     316.09      17.6664     136.09      
1 1 1 20 20 15 o 12.8473 4.02854 0.51768      0.595771  -0.507434    0.526952  8.32692     264.635     4.46648     84.6347     
1 1 1 20 20 16 o 22.7202 5.21276 1.0391       0.743372  1.90974      0.732086  19.713      195.777     6.94493     15.7771     
1 1 1 20 20 17 o 11.6564 3.80798 -0.0581699   0.592869  -0.127773    0.479605  5.05804     1.48351     0.350019    1.48351     
1 1 1 20 20 18 o 16.5276 4.7689  0.902862     0.721894  0.476411     0.565581  13.2857     232.789     4.56145     52.7887     
1 1 1 20 20 19 o 11.1974 3.73256 -0.0634733   0.634916  -0.325561    0.462799  5.78696     112.563     5.15882     292.563     
1 1 1 20 20 20 o 13.0446 4.07595 -0.381611    0.658413  0.455917     0.520889  7.25883     291.712     2.62036     291.712     
1 1 1 20 20 21 o 21.2461 4.55498 2.09295      0.670242  0.403195     0.606571  25.9298     287.281     11.8143     287.281     
1 1 1 20 20 22 o 11.6949 3.76466 0.409471     0.558749  -0.541925    0.475461  5.90869     131.996     0.865847    311.996     
1 1 1 20 20 23 o 13.675  4.19757 0.620033     0.593556  -0.0313065   0.535223  9.55114     329.283     1.60445     149.283     
1 1 1 20 20 24 o 13.0251 4.11993 0.177328     0.604191  0.227219     0.5396    7.35685     103.507     5.33425     283.507     
1 1 1 20 20 25 o 12.8953 4.07768 -0.135645    0.602509  0.411694     0.551704  6.48507     92.2192     0.188269    272.219     
1 1 1 20 20 26 o 11.8345 3.96366 -0.38832     0.716178  -0.0319665   0.599183  5.29531     143.119     6.18596     323.119     
1 1 1 20 20 27 o 14.6332 4.44715 -0.0519716   0.737757  0.801105     0.592782  11.0575     25.144      1.13253     205.144     
1 1 1 20 20 28 o 13.4257 4.17998 0.831727     0.639652  -0.330034    0.547009  7.8765      123.343     2.18543     123.343     
1 1 1 20 20 29 o 9.08977 3.1252  -1.54132     0.502123  -0.000228124 0.479239  1.92579     327.463     3.00252     147.463     
1 1 1 20 20 30 o 12.4335 4.01646 -0.175085    0.623811  0.359786     0.564436  8.16019     174.784     0.710717    174.784     
1 1 1 20 20 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 21 0  o 12.3369 5.04487 0.478514     0.523148  0.478514     0.523148  4.00488     180         1.55773     180         
1 1 1 20 21 1  f 20.9322 4.43212 1.62433      0.581606  0.535643     0.555801  16.7705     356.59      0           0           
1 1 1 20 21 2  o 13.1166 4.03445 0.0105432    0.474558  0.320704     0.550837  6.12433     169.891     2.47819     169.891     
1 1 1 20 21 3  o 17.1274 4.74125 0.160055     0.657104  1.0792       0.652836  15.9811     31.0563     0.335842    211.056     
1 1 1 20 21 4  o 21.3207 4.73028 0.516969     0.741627  1.70034      0.610231  22.2439     245.239     1.65051     245.239     
1 1 1 20 21 5  o 19.428  3.68636 1.89007      0.563605  -0.460734    0.51316   24.4177     172.492     16.0501     172.492     
1 1 1 20 21 6  o 6.64039 2.39577 -1.10622     0.30474   -1.0418      0.459981  1.78676     187.498     9.71261     187.498     
1 1 1 20 21 7  o 21.0571 4.89514 1.01884      0.622531  1.34083      0.624651  25.7148     157.038     11.909      157.038     
1 1 1 20 21 8  o 22.7362 4.85661 1.90208      0.674829  0.860434     0.644849  25.3767     277.019     5.27087     277.019     
1 1 1 20 21 9  o 12.0362 3.8252  -0.130076    0.491984  0.146256     0.510133  7.07766     108.649     4.29586     288.649     
1 1 1 20 21 10 o 16.7416 4.58519 0.670733     0.543639  0.68016      0.591651  16.7529     65.0289     4.68038     65.0289     
1 1 1 20 21 11 o 17.0237 4.04258 -0.397714    0.532034  1.4088       0.562431  7.69166     66.3184     5.44642     66.3184     
1 1 1 20 21 12 o 14.0391 4.14311 0.271569     0.514432  0.424923     0.49465   9.20928     77.747      7.03665     257.747     
1 1 1 20 21 13 o 11.2674 3.58731 -0.253272    0.476146  0.154961     0.429674  6.16658     15.8147     2.65186     195.815     
1 1 1 20 21 14 f 10.3223 3.39319 -0.323598    0.455815  -0.0599514   0.429343  10.7804     287.727     0           0           
1 1 1 20 21 15 o 17.2322 4.53587 0.89772      0.562479  0.645873     0.524782  16.6797     330.826     1.45565     330.826     
1 1 1 20 21 16 o 14.1317 4.07808 -0.0513787   0.531403  0.691546     0.491743  10.9835     44.9062     2.81876     224.906     
1 1 1 20 21 17 o 15.0232 4.18365 0.986982     0.561969  -0.0874955   0.490047  12.7323     14.0348     1.08312     194.035     
1 1 1 20 21 18 o 24.4856 4.86636 1.97252      0.676557  1.41599      0.620223  23.6695     72.2134     2.26074     252.213     
1 1 1 20 21 19 o 12.546  3.92835 0.188227     0.53167   0.155659     0.479038  7.75488     115.05      1.07679     295.05      
1 1 1 20 21 20 f 14.4257 4.18251 -0.0992066   0.580084  0.793644     0.523924  6.26573     305.03      0           0           
1 1 1 20 21 21 o 13.2121 3.92138 0.791857     0.538067  -0.434267    0.474774  6.62179     116.092     1.14132     116.092     
1 1 1 20 21 22 o 12.2411 3.95311 0.171605     0.525075  -0.0928849   0.606922  2.45791     176.861     0.0217807   176.861     
1 1 1 20 21 23 o 29.5959 5.22864 2.18098      0.752784  3.04182      0.855275  40.5955     21.8864     24.1286     21.8864     
1 1 1 20 21 24 o 11.7923 3.96973 -0.0898774   0.697974  -0.310414    0.63049   1.05412     169.69      0.0240887   169.69      
1 1 1 20 21 25 o 12.5364 4.12727 -0.558102    0.665705  0.447782     0.679145  7.33724     288.739     1.25557     108.739     
1 1 1 20 21 26 o 14.6165 4.71495 1.56151      0.965698  -0.414104    0.55347   8.4742      151.603     3.68107     151.603     
1 1 1 20 21 27 o 18.1629 5.0398  1.45695      0.776482  0.827712     0.606817  19.11       28.2653     9.22346     28.2653     
1 1 1 20 21 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 21 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 22 0  o 19.1295 5.82298 1.15753      0.592481  1.15753      0.592481  22.9361     3.61167e-06 4.64392     3.61167e-06 
1 1 1 20 22 1  o 24.7112 4.82309 1.62671      0.642448  1.61459      0.633599  32.0765     232.363     15.5309     232.363     
1 1 1 20 22 2  o 12.2754 3.81432 0.0375721    0.485505  0.189198     0.455678  4.57305     9.64291     1.22112     9.64291     
1 1 1 20 22 3  o 13.1752 3.87827 0.702348     0.506564  -0.675291    0.530625  6.28839     270.528     11.6556     90.528      
1 1 1 20 22 4  o 13.6481 4.15151 -0.201826    0.487718  0.668525     0.606805  9.71377     117.229     3.93869     297.229     
1 1 1 20 22 5  o 15.5254 4.61344 0.54373      0.705887  0.483171     0.556031  11.6018     356.029     6.02388     356.029     
1 1 1 20 22 6  o 14.3901 4.19901 0.413606     0.49808   0.394043     0.517464  12.2664     155.845     1.54195     155.845     
1 1 1 20 22 7  o 23.3329 4.26553 2.26821      0.618031  0.560461     0.578436  30.2223     222.306     14.8901     222.306     
1 1 1 20 22 8  o 13.532  4.01298 0.500032     0.496865  0.0920096    0.468767  9.54356     84.3943     3.2203      84.3943     
1 1 1 20 22 9  o 20.4843 4.61409 0.910609     0.575563  1.33511      0.554142  18.2136     140.533     4.4622      320.533     
1 1 1 20 22 10 o 15.9219 4.24926 0.888801     0.511281  0.300901     0.488137  15.734      308.412     6.83658     308.412     
1 1 1 20 22 11 o 15.5354 4.45799 0.684293     0.638337  0.472174     0.480795  14.3648     145.557     6.2319      145.557     
1 1 1 20 22 12 o 9.10665 3.04356 -0.485335    0.408848  -0.124036    0.363747  2.28739     19.0516     3.39799     199.052     
1 1 1 20 22 13 o 11.0854 3.34914 -0.879469    0.429876  0.482346     0.40242   3.23014     73.8778     0.155291    73.8779     
1 1 1 20 22 14 o 7.62971 2.65637 -0.183818    0.383767  -0.963316    0.306549  0.0586003   15.7549     1.33475     195.755     
1 1 1 20 22 15 o 14.4878 4.08912 0.195339     0.504415  0.67893      0.466271  2.10819     189.13      1.10204     189.13      
1 1 1 20 22 16 o 10.5959 3.44819 -0.00245401  0.468581  -0.141251    0.399249  3.25729     165.214     8.45016     345.214     
1 1 1 20 22 17 o 10.6617 3.39573 -0.333823    0.438987  0.194755     0.391151  3.20202     20.5155     2.54724     200.515     
1 1 1 20 22 18 o 13.1423 3.91954 0.0359184    0.498971  0.503767     0.454282  7.04001     218.698     0.243289    218.698     
1 1 1 20 22 19 o 13.5716 3.9698  0.0831893    0.512543  0.562069     0.447012  6.57684     308.789     1.62514     308.789     
1 1 1 20 22 20 o 11.2318 3.59876 0.0659734    0.484194  -0.00136233  0.416847  3.92465     303.505     1.5774      123.505     
1 1 1 20 22 21 o 13.8152 4.09973 0.442862     0.519924  0.379539     0.471251  8.94332     107.534     4.78031     287.534     
1 1 1 20 22 22 o 11.2773 3.6429  0.156324     0.523309  -0.0809635   0.417723  5.12576     326.659     5.42604     146.659     
1 1 1 20 22 23 o 9.41275 3.18475 -0.146626    0.467091  -0.452228    0.405566  2.19272     185.006     3.00492     5.0062      
1 1 1 20 22 24 o 12.6606 3.62519 -0.98553     0.512532  0.816774     0.460978  8.79089     178.714     0.960121    178.714     
1 1 1 20 22 25 o 13.2059 3.93042 -0.283691    0.528837  0.727915     0.497534  9.9053      280.568     2.30618     280.568     
1 1 1 20 22 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 23 0  o 9.82861 4.39817 0.211144     0.481243  0.211144     0.481243  4.39896     5.45503e-06 5.60481     180         
1 1 1 20 23 1  f 11.9753 3.74703 0.218958     0.466373  -0.0127819   0.457342  4.58106     218.209     0           0           
1 1 1 20 23 2  o 16.2174 4.53028 0.465368     0.565555  0.849672     0.576682  15.4788     345.928     3.25345     345.928     
1 1 1 20 23 3  o 19.0275 4.66561 0.629246     0.569904  1.36876      0.604121  20.3392     131.734     5.46066     131.734     
1 1 1 20 23 4  o 20.1191 4.58809 1.33292      0.558356  0.880979     0.552944  22.9551     205.812     8.46817     205.812     
1 1 1 20 23 5  o 10.1919 3.30626 -0.656791    0.397629  0.225824     0.437558  3.6951      84.9399     2.62494     264.94      
1 1 1 20 23 6  o 9.95848 3.29762 -0.537848    0.49101   -0.0208457   0.396828  2.59622     231.75      9.22373     51.7497     
1 1 1 20 23 7  o 15.6971 4.43385 0.94051      0.609832  0.286416     0.498574  13.2752     198.382     5.92846     198.382     
1 1 1 20 23 8  f 14.7006 4.1955  0.575984     0.505389  0.408648     0.483061  18.557      308.793     0           0           
1 1 1 20 23 9  o 13.9371 3.92285 0.760995     0.482049  -0.0327261   0.433089  8.6665      150.034     6.98527     330.034     
1 1 1 20 23 10 f 21.9417 4.63942 1.12419      0.580396  1.54323      0.574607  19.4698     14.4906     0           0           
1 1 1 20 23 11 o 11.6815 3.49855 0.510647     0.427557  -0.31039     0.365163  5.13935     80.3364     1.17103     260.336     
1 1 1 20 23 12 o 14.5266 3.95294 0.181827     0.459858  0.725055     0.433919  10.6907     17.5747     2.51767     17.5747     
1 1 1 20 23 13 o 21.7689 4.43736 1.68711      0.565522  0.911562     0.533359  22.5853     165.969     3.73334     165.969     
1 1 1 20 23 14 o 23.913  4.41382 1.26613      0.566086  1.78919      0.557963  24.5234     276.286     2.22071     276.286     
1 1 1 20 23 15 o 16.8189 3.74041 -0.0196153   0.473061  1.23618      0.443237  15.5228     159.678     1.87993     159.678     
1 1 1 20 23 16 o 9.42845 3.06292 -0.133053    0.370216  -0.0537477   0.31574   1.74995     323.183     5.1393      143.183     
1 1 1 20 23 17 o 14.2552 3.96369 0.713362     0.478073  0.251567     0.391974  10.8009     304.54      0.379068    124.54      
1 1 1 20 23 18 o 12.0782 3.61833 0.29159      0.416683  0.194776     0.366549  6.86831     329.799     2.89538     149.799     
1 1 1 20 23 19 o 10.5342 3.31644 -0.0739884   0.408705  0.147646     0.337565  4.28699     224.421     4.44262     44.4207     
1 1 1 20 23 20 o 11.7731 3.50974 0.568086     0.431897  -0.222957    0.349083  4.81553     224.929     10.086      44.9292     
1 1 1 20 23 21 o 9.96532 3.19261 0.267046     0.412854  -0.289707    0.294585  3.79304     75.3223     2.83757     255.322     
1 1 1 20 23 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 23 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 24 0  o 7.79654 3.74015 -0.101367    0.453059  -0.101367    0.453059  0.0354223   180         0.661615    180         
1 1 1 20 24 1  o 14.1053 4.17576 0.151647     0.487559  0.66015      0.5528    3.30432     312.801     1.25574     312.801     
1 1 1 20 24 2  o 10.449  3.38004 0.0936425    0.413272  -0.266977    0.422202  2.70757     215.909     3.28491     35.9092     
1 1 1 20 24 3  o 8.51548 2.8821  -0.377272    0.39136   -0.280096    0.331807  0.225583    174.809     2.8166      354.809     
1 1 1 20 24 4  o 17.3549 4.4753  1.01989      0.537581  0.621257     0.527917  15.8558     128.506     2.41651     128.506     
1 1 1 20 24 5  o 11.895  3.54779 -0.423339    0.432867  0.520009     0.416674  5.4258      37.9685     2.62873     217.969     
1 1 1 20 24 6  o 15.3221 4.27262 0.2943       0.489635  0.844869     0.537081  11.7063     86.4153     3.30481     86.4153     
1 1 1 20 24 7  o 17.315  4.62846 0.949932     0.590753  0.733782     0.54811   11.3034     42.4682     6.64169     42.4682     
1 1 1 20 24 8  o 11.5529 3.43707 -0.56074     0.46341   0.465086     0.374007  5.12508     92.9795     5.21577     272.979     
1 1 1 20 24 9  o 8.47727 2.73877 -0.585892    0.324183  0.0952595    0.273354  0.165108    329.052     9.34056     329.052     
1 1 1 20 24 10 o 13.8567 3.78359 0.673        0.42123   0.16115      0.382275  9.85077     105.828     1.41577     285.828     
1 1 1 20 24 11 o 13.7812 3.78647 0.489617     0.411418  0.378338     0.363739  9.95797     204.521     0.126439    24.5206     
1 1 1 20 24 12 o 21.1683 4.47287 1.27962      0.491137  1.20965      0.576555  21.3764     359.825     2.61108     359.825     
1 1 1 20 24 13 o 11.7392 3.81284 0.256486     0.449917  -0.745451    0.75905   5.74678     59.1613     5.19613     239.161     
1 1 1 20 24 14 o 15.7579 4.77055 0.442535     0.46702   1.1411       0.9134    13.5588     322.819     3.16709     322.819     
1 1 1 20 24 15 o 12.9226 4.3246  -0.653709    0.734962  0.53596      0.813944  4.01235     73.6954     1.21297     73.6954     
1 1 1 20 24 16 o 14.4172 4.72496 0.0717333    0.782163  0.708923     0.892386  8.96004     226.067     3.59482     226.067     
1 1 1 20 24 17 o 15.9817 5.12642 0.566572     0.882663  1.00237      0.955691  14.1768     50.0552     3.58759     50.0552     
1 1 1 20 24 18 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 24 19 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 25 0  o 9.69172 4.36437 0.213991     0.48266   0.213991     0.48266   2.9728      1.43259e-06 4.41538     180         
1 1 1 20 25 1  o 17.952  4.34823 1.53469      0.589529  0.190368     0.536747  18.617      168.37      8.72794     168.37      
1 1 1 20 25 2  o 10.6915 3.4596  0.100634     0.442275  -0.179636    0.423931  1.63535     320.406     0.434633    140.406     
1 1 1 20 25 3  o 11.7142 3.65987 0.146633     0.455641  0.13822      0.417366  4.11221     193.745     0.0722125   193.745     
1 1 1 20 25 4  o 16.61   4.37897 0.663996     0.530584  0.857791     0.492429  15.2705     174.176     7.21084     174.176     
1 1 1 20 25 5  o 8.80398 2.91258 -0.196382    0.35712   -0.139039    0.305717  1.14288     233.384     7.1436      53.3835     
1 1 1 20 25 6  o 9.94853 3.11581 0.320201     0.371946  -0.374128    0.295865  3.15072     304.429     5.98315     124.429     
1 1 1 20 25 7  o 10.9785 3.46284 0.176059     0.364942  -0.0791806   0.456166  1.91678     134.05      0.0753504   314.05      
1 1 1 20 25 8  f 22.0908 6.3519  2.10123      0.927194  2.9532       1.51431   18.5776     273.57      0           0           
1 1 1 20 25 9  o 15.4224 5.15867 0.439037     1.4707    0.622557     0.859048  6.33317     310.979     3.31923     310.979     
1 1 1 20 25 10 o 19.999  5.59041 2.44224      0.962254  0.587975     0.952226  21.9443     230.104     10.7506     230.104     
1 1 1 20 25 11 o 13.0045 4.3662  -0.178421    0.779125  0.157796     0.812498  8.75717     139.614     0.028521    319.615     
1 1 1 20 25 12 o 15.3453 4.92035 0.20468      0.796184  1.02237      0.901015  13.1878     96.9952     2.77397     96.9952     
1 1 1 20 25 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 25 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 25 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 2  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 20 26 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 0  1  o 9.3656  4.57938 -0.5628      0.755831  -0.5628      0.755831  3.70388     90          13.1264     90          
1 1 1 21 0  2  o 20.4321 7.28239 1.21066      0.952883  1.21066      0.952883  5.42839     180         40.0013     360         
1 1 1 21 0  3  o 92.7856 3.65583 16.2198      1.74574   16.2198      1.74574   131.119     270         26.9676     270         
1 1 1 21 0  4  o 41.8205 5.48655 3.62961      1.06907   3.62961      1.06907   61.1975     180         16.4083     180         
1 1 1 21 0  5  o 92.876  3.32658 16.1839      1.5921    16.1839      1.5921    119.024     90          2.79427     90          
1 1 1 21 0  6  o 9.79157 4.69707 -0.331913    0.714446  -0.331913    0.714446  0.191159    8.64918e-06 0.880031    8.64918e-06 
1 1 1 21 0  7  o 124.265 3.1432  28.8378      2.01877   28.8378      2.01877   182.942     90          51.6216     90          
1 1 1 21 0  8  o 12.17   5.39521 0.193016     0.705763  0.193016     0.705763  5.81781     360         36.9422     360         
1 1 1 21 0  9  o 10.2473 4.83977 -0.191241    0.704947  -0.191241    0.704947  1.646       270         11.681      270         
1 1 1 21 0  10 o 75.2157 3.53252 10.7259      1.36314   10.7259      1.36314   97.6361     2.52424e-06 5.69038     2.52424e-06 
1 1 1 21 0  11 o 15.4396 6.10736 0.653217     0.732366  0.653217     0.732366  4.25223     90.0001     0.0131474   90.0001     
1 1 1 21 0  12 o 6.24165 3.198   -1.08953     0.556849  -1.08953     0.556849  17.9568     180         45.4016     180         
1 1 1 21 0  13 o 14.4146 5.7941  0.553945     0.673044  0.553945     0.673044  9.05799     270         11.6189     90          
1 1 1 21 0  14 o 13.6125 5.67008 0.449986     0.681134  0.449986     0.681134  7.30607     180         2.47577     2.23124e-05 
1 1 1 21 0  15 o 63.1332 3.27362 7.59029      1.05779   7.59029      1.05779   91.626      90          25.427      90          
1 1 1 21 0  16 o 27.6106 6.03849 1.83541      0.756471  1.83541      0.756471  45.9512     180         23.5453     180         
1 1 1 21 0  17 o 12.8797 5.48191 0.369871     0.66296   0.369871     0.66296   7.24595     90          13.2678     270         
1 1 1 21 0  18 o 26.3861 6.51699 1.77897      0.806263  1.77897      0.806263  12.991      180         39.5515     8.65145e-06 
1 1 1 21 0  19 o 46.1987 4.8957  4.37298      1.09481   4.37298      1.09481   67.4383     90          20.4144     90          
1 1 1 21 0  20 o 14.5833 6.2018  0.512885     0.847084  0.512885     0.847084  0.930378    2.20997e-06 33.9599     180         
1 1 1 21 0  21 o 51.0149 3.68407 5.08684      0.948989  5.08684      0.948989  68.7575     90          11.7837     90          
1 1 1 21 0  22 o 12.3936 5.38068 0.311549     0.666557  0.311549     0.666557  7.30033     4.89978e-06 13.4682     180         
1 1 1 21 0  23 o 27.1848 6.14213 1.83709      0.762556  1.83709      0.762556  43.5903     90          20.6551     90          
1 1 1 21 0  24 o 12.2218 5.33627 0.299734     0.664392  0.299734     0.664392  3.91763     4.20742e-06 20.7562     180         
1 1 1 21 0  25 o 11.3716 5.18102 0.114795     0.705397  0.114795     0.705397  3.59099     90.0001     0.00424767  270         
1 1 1 21 0  26 o 11.5605 5.27232 0.124712     0.732841  0.124712     0.732841  8.13632     6.0934e-06  4.26408     180         
1 1 1 21 0  27 o 12.434  5.57382 0.256009     0.77679   0.256009     0.77679   0.399278    90.0009     0.113018    90.0009     
1 1 1 21 0  28 o 7.74796 3.87145 -0.66799     0.630627  -0.66799     0.630627  0.190384    1.83101e-05 2.55784     180         
1 1 1 21 0  29 f 15.0471 6.06335 0.699879     0.739583  0.699879     0.739583  10.7051     270         0           0           
1 1 1 21 0  30 o 12.7847 5.53347 0.410343     0.700041  0.410343     0.700041  10.883      1.43113e-06 6.3555      180         
1 1 1 21 0  31 o 6.28227 3.2403  -1.33289     0.628091  -1.33289     0.628091  0.167854    89.9999     1.49534     89.9999     
1 1 1 21 0  32 o 9.53473 4.5816  -0.19791     0.685652  -0.19791     0.685652  4.41881     180         10.0526     8.6509e-06  
1 1 1 21 0  33 o 18.7138 6.54534 1.19566      0.762835  1.19566      0.762835  24.0097     270         4.18679     270         
1 1 1 21 0  34 o 26.8392 6.53272 2.03684      0.817789  2.03684      0.817789  33.9631     1.63722e-06 4.81814     1.63722e-06 
1 1 1 21 0  35 o 8.92996 4.36121 -0.30787     0.680552  -0.30787     0.680552  0.0377476   90.0002     0.0120184   270         
1 1 1 21 0  36 o 20.6721 6.82072 1.5098       0.814182  1.5098       0.814182  28.928      4.91516e-06 10.1586     4.91516e-06 
1 1 1 21 0  37 f 9.14619 4.53338 -0.472437    0.812056  -0.472437    0.812056  18.9878     270         0           0           
1 1 1 21 0  38 o 15.3817 6.26341 0.950576     0.801227  0.950576     0.801227  18.404      0           4.77318     0           
1 1 1 21 0  39 o 17.7222 6.60696 1.27375      0.807791  1.27375      0.807791  6.84481     89.9999     5.13554     89.9999     
1 1 1 21 0  40 o 9.25747 4.50737 -0.164921    0.713678  -0.164921    0.713678  3.32024     180         9.88732     8.78494e-06 
1 1 1 21 0  41 o 10.1832 4.87718 0.0467388    0.764163  0.0467388    0.764163  3.03709     90          13.8932     270         
1 1 1 21 0  42 o 13.5642 5.85616 0.766122     0.779686  0.766122     0.779686  4.06066     7.78559e-06 1.56442     7.78559e-06 
1 1 1 21 0  43 o 7.6244  3.89346 -0.990047    0.791523  -0.990047    0.791523  0.0356727   90.0001     1.05498     270         
1 1 1 21 0  44 o 14.0932 6.64815 1.07364      1.32323   1.07364      1.32323   2.52741     180         1.24517     180         
1 1 1 21 0  45 o 10.5704 5.0449  0.201117     0.803672  0.201117     0.803672  2.14871     270         0.185628    270         
1 1 1 21 0  46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 1  0  o 35.6085 6.48563 2.84114      1.03456   2.84114      1.03456   63.2135     270         37.6922     270         
1 1 1 21 1  1  o 46.1706 4.62916 4.62525      1.02805   3.80523      1.10388   44.4948     319.968     24.5214     139.968     
1 1 1 21 1  2  o 19.0793 5.15351 0.869258     0.702112  0.00324626   0.806329  6.8457      346.498     26.0881     166.498     
1 1 1 21 1  3  o 32.2545 5.37315 2.53117      0.826321  1.73427      0.96052   31.2817     106.934     13.3148     286.934     
1 1 1 21 1  4  o 18.7579 5.02541 0.940247     0.705754  -0.140074    0.753984  13.0347     5.96972     5.55279     185.97      
1 1 1 21 1  5  o 19.3004 5.21798 0.79541      0.709297  0.236664     0.788258  13.8571     107.881     0.447908    107.881     
1 1 1 21 1  6  o 28.2632 5.38695 1.43603      0.720036  1.87517      0.895926  35.7614     57.9169     23.2175     57.9169     
1 1 1 21 1  7  o 23.8715 4.96669 0.217572     0.731542  1.92364      0.765684  21.5823     111.054     9.1624      291.054     
1 1 1 21 1  8  o 29.9673 5.20145 1.88785      0.812123  1.81887      0.791728  14.5444     143.761     42.5765     323.761     
1 1 1 21 1  9  o 17.3741 4.92813 0.548514     0.697612  0.128499     0.670484  9.25216     64.6537     15.2061     244.654     
1 1 1 21 1  10 o 49.4982 3.91308 5.60183      0.997312  4.01776      0.956621  52.8823     289.312     16.2082     109.312     
1 1 1 21 1  11 o 21.8069 4.99224 -0.0317784   0.73674   1.63489      0.756882  6.85837     258.181     36.4576     78.1814     
1 1 1 21 1  12 o 57.2132 3.67842 7.29201      1.08512   5.4714       1.05646   73.3525     236.135     5.40737     236.135     
1 1 1 21 1  13 o 48.0928 4.05597 3.90835      0.970283  5.27067      0.992818  52.729      242.361     12.7312     62.3606     
1 1 1 21 1  14 o 27.1683 5.19586 2.08152      0.79861   1.05304      0.74559   18.5277     234.195     27.1976     54.1951     
1 1 1 21 1  15 o 14.0932 4.41476 -0.14055     0.667979  -0.0701491   0.611071  6.62485     31.601      13.0418     211.601     
1 1 1 21 1  16 o 42.4643 4.03133 3.54654      0.864277  3.658        0.865455  45.7285     254.356     12.0988     74.3564     
1 1 1 21 1  17 o 33.7473 4.77735 2.4322       0.815397  2.32309      0.797743  43.2139     249.352     6.2072      249.352     
1 1 1 21 1  18 o 13.8199 4.43106 -0.59993     0.647745  0.0276784    0.735621  8.35345     18.743      1.03534     18.743      
1 1 1 21 1  19 o 25.7843 5.82147 1.14513      0.884717  1.75378      0.896179  24.7582     78.2154     10.4032     258.215     
1 1 1 21 1  20 o 48.8551 4.3387  4.70513      1.03874   5.01788      1.11063   73.9958     153.59      29.75       153.59      
1 1 1 21 1  21 o 30.0368 5.47048 2.22612      0.878795  1.77105      0.840369  26.2146     108.038     18.7822     288.038     
1 1 1 21 1  22 o 15.5899 4.65065 0.40431      0.648564  -0.0832099   0.66301   8.90619     333.423     15.6629     153.423     
1 1 1 21 1  23 o 17.0162 4.90412 0.257205     0.686171  0.508307     0.683746  18.3759     32.1414     7.51183     32.1414     
1 1 1 21 1  24 o 23.3206 5.21308 1.84444      0.795033  0.525185     0.72938   30.0624     28.8862     8.98251     28.8862     
1 1 1 21 1  25 o 29.2351 5.39087 2.39577      0.84529   1.53991      0.833406  35.011      83.0357     2.55491     83.0357     
1 1 1 21 1  26 o 17.7605 4.91588 -0.187628    0.755158  0.979466     0.695024  16.6838     41.5832     4.04196     221.583     
1 1 1 21 1  27 o 15.3778 4.5408  -1.17267     0.65896   0.918271     0.751748  3.5165      48.0782     2.03035     48.0782     
1 1 1 21 1  28 o 17.4714 5.0855  0.410589     0.732735  0.543957     0.752336  19.4743     238.326     7.93298     238.326     
1 1 1 21 1  29 o 26.7591 5.53302 1.63393      0.779385  1.85496      0.852517  27.6038     42.428      5.6269      222.428     
1 1 1 21 1  30 o 14.9145 4.64076 -0.0459539   0.719381  0.254124     0.681418  13.659      260.922     1.34704     80.922      
1 1 1 21 1  31 o 13.3673 4.24875 0.485225     0.698233  -1.05548     0.626303  6.5036      338.511     3.15394     338.511     
1 1 1 21 1  32 o 17.1138 4.9885  0.275821     0.735258  0.777547     0.721732  20.1779     107.607     8.63196     107.607     
1 1 1 21 1  33 o 9.55178 3.34937 -1.77053     0.622523  -0.697895    0.62768   4.08128     213.287     1.27955     33.2872     
1 1 1 21 1  34 o 16.6383 4.9697  0.651937     0.75026   0.442174     0.723736  15.5411     32.2162     3.46627     212.216     
1 1 1 21 1  35 o 14.2288 4.49508 -0.336755    0.688616  0.518073     0.708391  13.9784     214.474     2.73762     214.474     
1 1 1 21 1  36 o 15.6454 4.78133 0.812487     0.743746  -0.00460447  0.720251  15.6178     242.633     7.56695     242.633     
1 1 1 21 1  37 o 19.1905 5.5322  0.830998     0.859077  1.42948      0.895576  18.0357     74.4487     3.51223     254.449     
1 1 1 21 1  38 o 12.5762 4.23497 0.052994     0.785551  -0.611701    0.736396  6.35821     24.9982     2.04428     24.9982     
1 1 1 21 1  39 o 19.6801 5.4555  1.13127      0.805645  1.46988      0.823246  24.0744     110.23      10.6652     110.23      
1 1 1 21 1  40 o 12.9757 4.28487 -0.438379    0.748366  0.350331     0.711665  4.4907      340.915     1.92693     340.915     
1 1 1 21 1  41 o 11.7628 4.00728 -0.980185    0.735888  0.109848     0.738007  5.72868     92.4818     0.0339101   272.482     
1 1 1 21 1  42 o 12.045  4.09397 -0.53004     0.800272  -0.040699    0.714027  2.27966     111.48      0.170503    111.48      
1 1 1 21 1  43 o 10.5925 3.74722 -0.884573    0.86092   -1.54642     0.858896  4.29863     268.252     4.47655     88.2517     
1 1 1 21 1  44 o 10.106  3.62936 -2.06335     0.849892  -1.47058     1.03899   2.04988     263.686     0.732383    83.6864     
1 1 1 21 1  45 o 12.2387 4.20458 0.359232     0.85911   -0.967957    0.835894  8.24266     304.856     0.781958    304.856     
1 1 1 21 1  46 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 2  0  o 15.7065 5.95287 0.687622     0.664972  0.687622     0.664972  7.26413     270         6.73247     89.9999     
1 1 1 21 2  1  o 38.6441 4.25267 2.23743      0.809249  3.71504      0.796656  63.1737     264.951     38.4794     264.951     
1 1 1 21 2  2  o 30.6252 4.89667 1.72291      0.781116  2.08123      0.739412  25.8878     20.1724     20.3888     200.172     
1 1 1 21 2  3  o 53.0023 3.69376 5.77784      1.00292   5.03082      0.996275  77.1928     256.643     24.4274     256.643     
1 1 1 21 2  4  o 39.7725 4.3407  3.2476       0.866779  2.99232      0.864355  39.3244     77.6577     17.9838     257.658     
1 1 1 21 2  5  o 31.3942 4.96922 2.31778      0.797231  1.70833      0.784757  33.8912     178.047     5.46307     358.047     
1 1 1 21 2  6  o 15.2698 4.67014 0.249185     0.710523  -0.343241    0.671088  5.02524     282.542     4.11636     102.542     
1 1 1 21 2  7  o 45.3296 4.13064 3.60954      0.933298  4.4584       0.954503  51.3745     50.3511     8.18889     230.351     
1 1 1 21 2  8  o 12.7867 4.13992 -0.169768    0.625501  -0.612178    0.622861  1.36282     231.536     4.00488     51.5355     
1 1 1 21 2  9  o 16.7259 4.7929  0.180666     0.650885  0.40562      0.648179  8.03582     43.1322     53.4026     43.1322     
1 1 1 21 2  10 o 19.7458 5.04162 0.961925     0.684222  0.373856     0.674473  10.2481     306.711     22.6063     126.711     
1 1 1 21 2  11 o 62.7408 3.32112 5.86069      0.99917   9.43645      1.12175   78.7156     4.04675     1.86575     4.04682     
1 1 1 21 2  12 o 42.799  4.02318 3.00911      0.840999  4.27506      0.881157  47.541      203.807     9.43343     23.8073     
1 1 1 21 2  13 o 20.0894 5.21552 0.787692     0.698091  0.655434     0.729024  16.8912     165.739     9.35637     345.739     
1 1 1 21 2  14 o 24.5863 5.40604 1.32919      0.769684  1.20921      0.754662  33.1551     241.306     15.6154     241.306     
1 1 1 21 2  15 o 21.6058 4.94977 0.252589     0.673165  1.51764      0.718919  26.2834     322.141     14.9597     322.141     
1 1 1 21 2  16 o 65.6655 3.47485 8.6806       1.18769   8.10722      1.16039   82.9982     187.535     3.93992     187.535     
1 1 1 21 2  17 f 22.9602 5.41226 1.45021      0.785218  0.705949     0.770033  43.5548     126.438     0           0           
1 1 1 21 2  18 o 37.2585 4.7645  2.98133      0.876348  2.79826      0.895322  39.6018     260.939     10.7386     80.9393     
1 1 1 21 2  19 o 31.707  5.19038 1.62381      0.819434  2.74599      0.874207  40.2604     160.015     5.62355     160.015     
1 1 1 21 2  20 o 26.5126 5.62811 1.55648      0.862645  1.54847      0.808398  22.5512     102.719     17.0543     282.719     
1 1 1 21 2  21 o 15.5374 4.73769 0.51898      0.776123  -0.49416     0.663358  14.1416     169.126     1.9173      349.126     
1 1 1 21 2  22 o 21.1434 4.89217 -0.120212    0.765554  1.6255       0.716725  21.5493     29.4946     4.2008      209.495     
1 1 1 21 2  23 o 19.1017 5.23458 0.717493     0.768766  0.598711     0.71008   15.9425     100.723     10.1169     280.723     
1 1 1 21 2  24 o 25.2705 5.33336 0.964258     0.811027  1.89886      0.765583  33.7384     68.5716     11.2909     68.5716     
1 1 1 21 2  25 o 15.8707 4.63456 0.709849     0.67944   -0.356315    0.649605  16.0981     119.619     3.90762     119.619     
1 1 1 21 2  26 o 17.8463 5.02906 0.630315     0.70698   0.449833     0.694411  10.7283     8.36327     17.7399     188.363     
1 1 1 21 2  27 f 20.0018 4.92704 0.0981676    0.68757   1.44527      0.716557  29.8185     284.808     0           0           
1 1 1 21 2  28 o 14.6015 4.5934  -0.0608693   0.709809  0.0666845    0.690809  10.4772     61.0644     8.22474     241.064     
1 1 1 21 2  29 o 25.8505 5.61964 1.59853      0.809971  1.69621      0.841977  31.5159     295.93      5.42123     295.93      
1 1 1 21 2  30 o 22.4567 5.58665 1.41071      0.795352  1.07915      0.834437  13.7871     196.922     23.1554     16.9224     
1 1 1 21 2  31 o 22.5787 5.28596 1.76914      0.7704    0.73079      0.758217  20.3775     291.521     9.6975      111.521     
1 1 1 21 2  32 o 16.3244 4.87808 0.746413     0.733638  -0.00371755  0.732404  11.8565     64.7895     10.9645     244.79      
1 1 1 21 2  33 o 13.3366 4.306   -0.462903    0.668253  0.215873     0.681377  11.5642     81.9083     4.44657     81.9083     
1 1 1 21 2  34 o 26.3737 5.44325 1.60461      0.7928    2.21801      0.808521  33.0501     47.5047     7.68878     47.5047     
1 1 1 21 2  35 o 31.5401 5.35827 2.74641      0.86908   2.59319      0.86146   38.7587     212.088     6.59457     212.088     
1 1 1 21 2  36 o 19.5932 5.43002 0.881119     0.801128  1.35785      0.821319  23.8875     80.3041     15.2287     80.3041     
1 1 1 21 2  37 o 17.17   5.12732 0.0749749    0.855585  1.24924      0.81882   18.1027     246.055     3.76738     246.055     
1 1 1 21 2  38 o 15.8003 4.93975 0.357692     0.828717  0.714222     0.780546  15.5555     127.525     2.2919      127.525     
1 1 1 21 2  39 o 18.0652 5.19418 1.3389       0.786531  0.668757     0.773901  20.6621     292.782     11.778      292.782     
1 1 1 21 2  40 o 15.1099 4.74657 0.116354     0.748009  0.860791     0.770103  13.0979     162.37      6.04102     162.37      
1 1 1 21 2  41 o 14.4955 4.5753  -0.67472     0.777593  1.064        0.765749  8.48228     86.1478     3.83752     86.1478     
1 1 1 21 2  42 o 16.4411 4.99628 -0.104853    0.817325  1.55962      0.850938  5.48952     131.262     3.23172     131.262     
1 1 1 21 2  43 o 13.2862 4.45746 0.177226     0.816617  -0.00560817  0.839374  8.03002     136.181     1.72239     136.181     
1 1 1 21 2  44 o 18.214  5.71889 1.00992      1.12436   2.19602      1.1048    13.0187     272.994     10.2386     92.9942     
1 1 1 21 2  45 o 13.8937 4.60537 0.185918     0.799101  0.581791     0.86804   11.418      279.013     3.54546     279.013     
1 1 1 21 2  46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 3  0  o 31.7015 5.2122  2.17021      0.744865  2.17021      0.744865  45.0076     90          10.0372     90          
1 1 1 21 3  1  o 16.2352 4.68976 0.345493     0.63251   0.130413     0.622264  4.58854     158.228     1.49268     338.228     
1 1 1 21 3  2  o 32.7659 4.61211 1.73902      0.740199  2.60291      0.77121   32.9463     125.062     11.6928     305.062     
1 1 1 21 3  3  o 40.5266 4.08333 2.54945      0.811408  3.94778      0.822169  55.2295     273.806     13.3408     273.806     
1 1 1 21 3  4  o 15.0896 4.44911 -0.562685    0.608876  0.518107     0.642516  4.05705     315.053     3.08219     135.053     
1 1 1 21 3  5  o 25.3665 4.85501 2.12206      0.756343  0.465524     0.690962  9.10791     72.0456     41.2668     252.046     
1 1 1 21 3  6  o 14.7912 4.37926 0.617316     0.676641  -1.10845     0.626115  5.54464     213.838     9.22642     33.8379     
1 1 1 21 3  7  o 37.0959 4.69147 3.73649      0.872433  1.92506      0.838796  31.4471     109.276     27.0375     289.276     
1 1 1 21 3  8  o 32.7532 4.90457 2.65074      0.824405  1.76807      0.793979  36.8234     258.989     3.62897     78.9888     
1 1 1 21 3  9  o 40.349  4.34239 3.37867      0.886924  3.10383      0.871594  49.3889     110.033     1.22026     110.033     
1 1 1 21 3  10 o 64.3736 3.22026 8.2983       1.07162   7.54947      1.06202   81.1215     254.734     2.51911     254.734     
1 1 1 21 3  11 f 32.6457 4.66321 1.69154      0.757449  2.70216      0.766429  32.2644     127.214     0           0           
1 1 1 21 3  12 o 13.9432 4.34567 -0.387815    0.617158  0.125342     0.627986  6.17775     156.191     11.539      336.191     
1 1 1 21 3  13 f 49.2662 3.6036  4.90143      0.915145  4.5661       0.898379  50.1513     31.4926     0           0           
1 1 1 21 3  14 o 38.1569 4.44797 2.06907      0.795369  3.97847      0.868911  50.5706     282.688     9.49653     282.688     
1 1 1 21 3  15 o 15.3722 4.60263 0.495121     0.670583  -0.523168    0.683637  6.09729     331.384     20.0379     151.384     
1 1 1 21 3  16 f 34.9628 5.19054 2.6684       0.887379  2.52701      0.933698  51.6302     24.7378     0           0           
1 1 1 21 3  17 o 68.4161 3.7161  7.84545      1.26311   10.6604      1.33637   96.7046     40.6537     25.1072     40.6537     
1 1 1 21 3  18 o 16.7818 4.9301  0.670154     0.745845  -0.402421    0.759829  13.9328     185.439     7.37708     5.43851     
1 1 1 21 3  19 o 16.6984 4.8395  0.608931     0.710515  -0.055059    0.661161  15.2393     137.279     4.21265     317.279     
1 1 1 21 3  20 o 47.8833 4.15295 5.01293      0.999711  4.2824       1.01023   64.7546     152.662     13.5107     152.662     
1 1 1 21 3  21 o 34.5022 5.46272 2.68462      0.988857  2.57259      0.916425  41.6802     179.927     1.64184     179.927     
1 1 1 21 3  22 o 25.1547 5.70313 1.19603      0.919571  1.62546      0.798046  36.5802     315.05      19.3685     315.05      
1 1 1 21 3  23 o 17.5673 4.93449 -0.0862209   0.742851  0.843413     0.691328  18.7519     108.709     2.1338      108.709     
1 1 1 21 3  24 o 17.9134 4.87183 0.979801     0.688463  -0.0205755   0.680799  20.4988     229.111     5.99717     229.111     
1 1 1 21 3  25 o 32.6479 4.93444 2.85444      0.822134  1.89528      0.803968  39.8066     109.83      3.35615     109.83      
1 1 1 21 3  26 o 21.8639 5.33911 1.11849      0.750245  1.03261      0.720107  20.943      185.129     6.741       5.12907     
1 1 1 21 3  27 o 26.644  4.9731  0.856833     0.747301  2.42025      0.764005  40.8457     131.67      24.3143     131.67      
1 1 1 21 3  28 o 22.8359 5.02775 1.91283      0.753382  0.401148     0.727456  11.1378     246.525     30.028      66.5253     
1 1 1 21 3  29 o 15.837  4.70763 -0.224696    0.668295  0.695016     0.705395  15.7391     268.599     0.822189    268.599     
1 1 1 21 3  30 o 22.3911 5.52591 0.906109     0.796922  1.56815      0.815065  18.3877     325.498     13.3052     145.498     
1 1 1 21 3  31 o 18.3421 5.2333  0.456767     0.761178  0.926672     0.789102  14.0171     264.406     11.738      84.4058     
1 1 1 21 3  32 o 15.1748 4.72021 0.00380758   0.719036  0.392331     0.728666  3.74505     73.823      25.4437     253.823     
1 1 1 21 3  33 o 19.225  5.18156 1.00698      0.707623  0.83892      0.730058  16.4582     277.221     12.6624     277.221     
1 1 1 21 3  34 o 14.4532 4.55848 0.557016     0.731718  -0.36784     0.701205  14.0639     13.4986     0.588935    13.4986     
1 1 1 21 3  35 o 16.3898 4.87525 0.982331     0.753767  0.0291613    0.713408  12.7875     86.0409     8.52725     266.041     
1 1 1 21 3  36 o 10.5071 3.64757 -0.764307    0.686822  -0.98569     0.680018  5.19041     57.457      6.44034     237.457     
1 1 1 21 3  37 o 22.1956 5.57231 2.58084      0.963858  0.606703     0.803706  24.2298     89.5891     1.71247     89.5891     
1 1 1 21 3  38 o 11.5252 3.9667  -0.161698    0.778186  -1.18189     0.73671   6.1983      160.466     0.512004    160.466     
1 1 1 21 3  39 o 12.6475 4.15212 0.727523     0.735103  -1.58438     0.693841  9.94495     219.591     0.393348    39.5907     
1 1 1 21 3  40 o 14.9699 4.81001 0.836806     0.858189  0.0903807    0.777941  12.75       67.9895     1.92064     247.989     
1 1 1 21 3  41 o 15.2637 4.86706 -0.093541    0.891097  1.01697      0.82464   13.2647     197.354     0.517669    197.354     
1 1 1 21 3  42 o 14.2863 4.67828 0.129518     0.850616  0.533794     0.806467  10.9149     154.096     0.66064     154.096     
1 1 1 21 3  43 o 16.1294 4.87456 -1.13778     0.780968  2.04617      0.918443  14.9378     304.984     6.32732     304.984     
1 1 1 21 3  44 o 15.0442 4.89358 1.60561      0.966105  -0.686707    0.900712  13.3688     152.452     4.09656     152.452     
1 1 1 21 3  45 o 11.1361 3.86694 -0.59946     0.758763  -0.437063    0.779706  4.44376     146.908     0.68533     146.908     
1 1 1 21 3  46 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 4  0  o 17.6484 6.09271 0.885656     0.657539  0.885656     0.657539  1.40055     90.0007     0.319613    90.0007     
1 1 1 21 4  1  o 25.1075 4.89908 1.80759      0.701709  0.739896     0.683251  29.3062     277.911     16.4911     277.911     
1 1 1 21 4  2  o 25.0662 5.11243 1.35513      0.70233   1.20614      0.700834  2.07804     133.107     63.6737     133.107     
1 1 1 21 4  3  o 57.4033 3.3151  6.03966      0.973063  6.53889      0.981607  56.0422     281.529     30.5403     101.529     
1 1 1 21 4  4  o 32.2549 4.67551 1.56125      0.752162  2.69678      0.761781  36.6418     130.48      2.43082     310.48      
1 1 1 21 4  5  o 14.3561 4.44607 -0.0131156   0.626935  -0.130454    0.637138  3.90701     81.7326     15.2926     261.733     
1 1 1 21 4  6  o 15.2834 4.54731 -0.247675    0.624679  0.380299     0.637415  2.81877     212.864     37.6136     212.864     
1 1 1 21 4  7  o 24.4388 4.94365 1.93766      0.754661  0.456862     0.689139  26.0906     280.792     1.32165     100.792     
1 1 1 21 4  8  o 28.5019 5.29531 1.81715      0.810642  1.58009      0.775473  23.7154     93.2774     19.4257     273.277     
1 1 1 21 4  9  o 78.2593 3.2429  11.9046      1.30933   11.4928      1.30983   99.7234     294.867     4.51569     294.867     
1 1 1 21 4  10 o 34.5517 4.90893 2.86181      0.869024  2.07502      0.829043  47.4043     76.402      13.5591     76.402      
1 1 1 21 4  11 f 15.9506 4.6625  0.452971     0.630681  -0.114976    0.661046  42.2208     38.8563     0           0           
1 1 1 21 4  12 o 17.2373 4.79802 0.379787     0.635002  0.448856     0.624356  15.1116     108.569     0.209026    108.568     
1 1 1 21 4  13 o 20.9782 5.00636 0.43408      0.666351  1.2423       0.686205  16.2539     321.206     14.4211     141.206     
1 1 1 21 4  14 o 25.9817 5.03819 2.26155      0.786759  0.539658     0.770464  28.5802     2.3361      2.5639      182.336     
1 1 1 21 4  15 o 21.0191 4.74296 -0.208342    0.670782  1.68661      0.73682   23.4929     60.796      1.56298     60.796      
1 1 1 21 4  16 o 17.1197 4.95448 0.417681     0.684612  0.250055     0.718081  9.24508     33.0528     58.1788     33.0528     
1 1 1 21 4  17 o 19.5031 4.96665 -0.438872    0.682362  1.47186      0.819226  21.1242     122.598     0.591927    122.598     
1 1 1 21 4  18 o 30.2487 5.12638 2.86488      0.843531  1.13299      0.825689  28.0127     197.556     16.0161     17.5557     
1 1 1 21 4  19 o 42.898  4.74868 2.81558      0.9816    4.97107      1.00343   61.7927     102.466     20.5156     102.466     
1 1 1 21 4  20 o 40.0843 4.87459 2.44732      0.950585  4.45952      0.958032  50.0636     338.476     3.97793     338.476     
1 1 1 21 4  21 o 53.3376 4.43238 6.42176      1.3539    5.36451      1.04703   62.379      91.8684     4.55705     271.868     
1 1 1 21 4  22 o 23.207  5.11239 2.11996      0.864433  0.166399     0.690233  31.1792     205.942     11.963      205.942     
1 1 1 21 4  23 o 28.5537 5.00735 1.53244      0.758275  2.08953      0.729868  38.351      124.184     11.3067     124.184     
1 1 1 21 4  24 o 20.7834 4.7999  0.0248967    0.679808  1.60915      0.705422  26.1589     163.702     8.31763     163.702     
1 1 1 21 4  25 o 35.5814 4.66794 2.87293      0.838564  2.62484      0.819825  39.7488     55.86       4.37621     235.86      
1 1 1 21 4  26 o 15.0526 4.38466 0.803181     0.663932  -0.778382    0.599429  12.9984     245.674     3.48961     65.6738     
1 1 1 21 4  27 o 14.6946 4.50468 -0.451898    0.66406   0.470971     0.669153  13.042      67.8984     3.81201     67.8984     
1 1 1 21 4  28 o 15.7329 4.76941 0.118413     0.701459  0.350509     0.695088  15.3566     7.36692     0.733245    7.36689     
1 1 1 21 4  29 f 17.0423 4.89576 0.0554527    0.710359  0.824328     0.700866  3.84214     318.1       0           0           
1 1 1 21 4  30 o 21.6319 5.19181 0.777391     0.737737  1.45362      0.704886  25.6381     202.342     4.52126     202.342     
1 1 1 21 4  31 o 20.3295 5.14714 0.238878     0.771878  1.5921       0.761431  25.6186     114.486     8.8638      114.486     
1 1 1 21 4  32 o 12.8313 4.23148 -0.934182    0.710714  0.136639     0.715397  10.6336     52.722      2.09716     232.722     
1 1 1 21 4  33 o 16.5144 4.53974 -1.2636      0.653112  1.52202      0.772417  14.1286     115.17      9.93309     115.17      
1 1 1 21 4  34 o 21.1224 5.49437 1.43884      0.837054  1.10667      0.7449    19.96       359.296     5.94047     179.296     
1 1 1 21 4  35 o 12.7455 4.19375 0.412745     0.735097  -1.05199     0.657929  8.61829     143.808     6.8826      323.808     
1 1 1 21 4  36 o 11.6316 3.92707 -1.14531     0.692218  0.0404612    0.676005  7.53399     232.768     1.15471     52.7677     
1 1 1 21 4  37 o 13.842  4.45044 -0.818853    0.740473  0.711429     0.753552  11.7522     145.999     2.98763     145.999     
1 1 1 21 4  38 o 14.6099 4.77725 0.290032     0.858307  0.200127     0.845046  12.887      197.863     0.618542    17.863      
1 1 1 21 4  39 o 13.2161 4.35368 0.808326     0.813905  -1.12809     0.694989  3.78482     201.443     1.84252     201.443     
1 1 1 21 4  40 o 12.5463 4.22039 -0.550353    0.740366  0.217444     0.770829  5.51606     341.927     1.52485     341.927     
1 1 1 21 4  41 o 18.4636 5.18887 1.81476      0.808399  0.38829      0.846431  9.52719     302.573     6.58102     302.573     
1 1 1 21 4  42 o 15.2545 4.87049 0.984742     0.823153  0.0682009    0.876339  12.2762     243.319     4.11251     243.319     
1 1 1 21 4  43 o 14.3267 4.67911 0.937103     0.8482    -0.22621     0.82333   10.0115     14.7703     3.70251     14.7703     
1 1 1 21 4  44 o 11.9109 4.13186 -0.0490526   0.874924  -0.823417    0.872103  7.64843     310.232     2.01174     130.232     
1 1 1 21 4  45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 5  0  f 7.3501  3.67609 -0.686198    0.573023  -0.686198    0.573023  18.342      89.9999     0           0           
1 1 1 21 5  1  o 18.8228 4.96081 0.737784     0.657172  0.407518     0.651898  4.3668      344.92      32.4694     164.92      
1 1 1 21 5  2  o 30.5369 4.81372 1.66691      0.754299  2.1474       0.734079  26.5675     217.963     19.1203     37.9625     
1 1 1 21 5  3  o 20.6574 4.42676 1.63928      0.670063  -0.367646    0.635907  18.5846     266.88      5.47034     86.8797     
1 1 1 21 5  4  o 24.7239 4.99892 1.49578      0.683038  1.0056       0.679398  29.7036     223.714     17.3952     223.714     
1 1 1 21 5  5  o 61.9506 3.24327 6.75856      1.02289   7.92352      1.04115   94.0853     259.37      35.3224     259.37      
1 1 1 21 5  6  o 19.1764 4.89356 0.43403      0.624082  0.844771     0.639942  17.0629     131.932     2.0785      311.932     
1 1 1 21 5  7  o 57.3    3.36985 5.91194      0.981688  6.71409      0.999625  72.8397     344.688     4.17656     344.688     
1 1 1 21 5  8  o 24.433  5.06817 0.748323     0.738358  1.66433      0.699052  25.0976     242.801     4.48796     62.8008     
1 1 1 21 5  9  o 25.6301 4.96854 2.12347      0.767855  0.585494     0.714281  27.1921     209.74      3.95473     29.7404     
1 1 1 21 5  10 o 24.8133 5.3271  1.54714      0.780709  1.02871      0.723347  23.5226     315.159     9.5622      135.159     
1 1 1 21 5  11 o 17.2405 4.82757 0.76097      0.695074  -0.112547    0.653257  14.1326     282.574     5.13536     102.573     
1 1 1 21 5  12 o 15.4292 4.64733 0.0944065    0.62681   0.135091     0.678252  11.3732     108.384     2.45788     288.384     
1 1 1 21 5  13 o 26.6632 5.2883  1.51851      0.752903  1.52086      0.767879  23.6242     223.201     15.0912     43.2008     
1 1 1 21 5  14 o 49.3452 3.85662 4.31545      0.953289  5.35707      0.978087  55.6572     91.0919     9.5168      271.092     
1 1 1 21 5  15 o 35.7309 4.64035 2.50064      0.810632  2.78828      0.84504   43.8644     20.2021     2.14932     20.2021     
1 1 1 21 5  16 o 17.4594 4.99299 0.596583     0.720104  0.149588     0.697797  4.52668     26.8938     30.4046     206.894     
1 1 1 21 5  17 o 17.164  4.90053 0.168361     0.681824  0.558195     0.680813  13.2747     20.5583     10.6199     200.558     
1 1 1 21 5  18 o 51.7605 3.77062 5.41761      1.02571   5.22571      0.968567  64.3493     82.4798     2.61038     82.4799     
1 1 1 21 5  19 o 14.1629 4.43222 0.265136     0.662868  -0.699499    0.691602  11.593      12.335      2.10282     12.335      
1 1 1 21 5  20 o 33.1622 4.93919 2.60752      0.811078  2.1287       0.833821  27.3206     193.89      24.5587     13.8903     
1 1 1 21 5  21 o 27.2386 5.64773 1.96247      0.840677  1.4074       0.882486  20.3864     175.726     23.0056     355.726     
1 1 1 21 5  22 o 17.0018 4.92522 -0.88908     0.804751  0.969687     0.790181  13.6543     58.9943     8.01717     58.9943     
1 1 1 21 5  23 o 38.7048 4.85008 4.62458      1.05656   2.10455      0.815275  62.5        126.508     34.7891     126.508     
1 1 1 21 5  24 o 23.5353 5.22015 1.01644      0.727674  1.47873      0.711025  24.7843     27.9261     3.3634      207.926     
1 1 1 21 5  25 o 14.9895 4.5022  -0.457404    0.6623    0.551891     0.64492   10.8761     53.5824     8.74331     233.582     
1 1 1 21 5  26 o 15.7067 4.7285  0.451329     0.708831  0.00333861   0.653145  13.7416     120.669     3.68046     300.669     
1 1 1 21 5  27 o 40.2949 4.55895 4.38091      0.950884  2.78664      0.869803  51.4423     191.216     8.3605      191.216     
1 1 1 21 5  28 o 15.252  4.70241 0.102604     0.730955  0.213512     0.670598  6.26557     299.063     20.1446     119.063     
1 1 1 21 5  29 o 15.1122 4.62658 -0.148084    0.710297  0.440705     0.661407  15.1969     220.402     3.06931     220.402     
1 1 1 21 5  30 o 23.9266 5.51124 1.24551      0.792311  1.68604      0.792668  23.1025     299.919     7.31922     119.919     
1 1 1 21 5  31 o 25.3078 5.75226 1.75269      0.887144  1.71524      0.826244  20.3721     8.98598     16.4012     188.986     
1 1 1 21 5  32 o 15.7212 4.86571 0.255943     0.774646  0.373452     0.738006  17.303      107.192     6.57421     107.192     
1 1 1 21 5  33 o 29.4438 5.6149  2.56786      0.88305   2.21072      0.874759  40.3962     116.833     15.378      116.833     
1 1 1 21 5  34 o 12.5004 4.20446 -0.959929    0.665564  0.130324     0.805931  8.58181     226.141     2.8623      226.141     
1 1 1 21 5  35 o 33.2688 5.8019  2.91281      0.959801  3.52433      1.03199   47.2081     122.087     20.9355     122.087     
1 1 1 21 5  36 o 14.3273 4.57141 -0.218784    0.736499  0.548195     0.73819   10.6618     136.633     4.64208     136.633     
1 1 1 21 5  37 o 11.1437 3.81532 -0.923324    0.654163  -0.2078      0.698554  4.91364     246.794     0.26272     246.794     
1 1 1 21 5  38 o 19.5811 5.61893 1.57784      0.972357  1.14097      0.805857  22.5584     315.007     6.78214     315.007     
1 1 1 21 5  39 o 11.8604 4.04096 -0.42233     0.75999   -0.301949    0.71815   7.95432     3.5974      1.80825     183.597     
1 1 1 21 5  40 o 18.7508 5.22737 1.79004      0.819727  0.557931     0.772265  19.2912     302.064     2.10428     302.064     
1 1 1 21 5  41 o 11.8498 4.02608 0.23921      0.731904  -1.12196     0.758416  6.11564     93.5375     5.00943     273.538     
1 1 1 21 5  42 o 12.5239 4.31935 -0.566168    0.89791   -0.151956    0.925451  7.723       296.516     3.25482     116.516     
1 1 1 21 5  43 o 11.2022 3.8872  -0.80039     0.741834  -0.279331    0.795149  5.13646     16.4348     0.677637    196.435     
1 1 1 21 5  44 o 12.678  4.30363 -1.36147     0.90373   0.679271     0.836167  9.14779     123.216     2.15982     303.216     
1 1 1 21 5  45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 6  0  o 42.6988 4.01646 3.60256      0.845058  3.60256      0.845058  75.7364     270         44.1512     270         
1 1 1 21 6  1  o 38.8252 4.08627 2.69011      0.781383  3.28428      0.809163  66.207      232.012     43.0878     232.012     
1 1 1 21 6  2  o 26.0735 4.92919 1.04091      0.673177  1.77559      0.709971  23.3039     170.482     13.4119     350.482     
1 1 1 21 6  3  o 30.7574 4.67551 1.49384      0.715907  2.40511      0.738288  29.415      115.498     14.0084     295.498     
1 1 1 21 6  4  o 26.2158 4.97984 1.64494      0.697039  1.20261      0.695805  34.3444     162.922     12.1277     162.922     
1 1 1 21 6  5  o 50.7436 3.47075 5.39511      0.913893  4.5669       0.885787  63.5239     68.7812     2.41316     68.7812     
1 1 1 21 6  6  o 40.9507 4.01169 2.4926       0.787658  4.2365       0.827733  48.0943     107.338     3.23384     287.338     
1 1 1 21 6  7  o 46.1438 3.71999 4.77466      0.884315  3.58245      0.850697  57.6185     212.817     2.47986     212.817     
1 1 1 21 6  8  o 9.45001 3.2756  -0.769287    0.550168  -1.29939     0.539095  3.3249      258.347     19.6297     258.347     
1 1 1 21 6  9  o 36.9298 4.47023 2.64457      0.851577  2.88825      0.793948  52.6861     190.891     17.5967     190.891     
1 1 1 21 6  10 o 29.3459 5.14621 1.42855      0.795725  2.22571      0.784482  45.6088     184.92      27.7502     184.92      
1 1 1 21 6  11 o 27.5752 4.7041  2.94165      0.814425  0.169633     0.791571  29.0431     46.2017     6.33563     226.202     
1 1 1 21 6  12 o 23.7561 4.96557 0.0448183    0.723946  2.14832      0.825017  9.24058     169.201     37.4453     349.201     
1 1 1 21 6  13 o 47.7495 4.1227  4.56391      1.01168   4.57323      0.986592  53.656      161.379     9.34202     341.379     
1 1 1 21 6  14 f 28.989  5.39434 1.82968      0.829152  1.81287      0.813739  39.0614     33.4063     0           0           
1 1 1 21 6  15 o 18.7473 5.02343 0.840827     0.689367  0.31588      0.681207  16.3805     328.923     8.15892     148.923     
1 1 1 21 6  16 o 27.1851 5.17838 1.63639      0.762636  1.55155      0.729393  29.8638     158.33      3.77094     338.33      
1 1 1 21 6  17 o 11.0478 3.72366 -0.847309    0.619593  -0.519391    0.568708  3.96532     299.91      11.5993     119.91      
1 1 1 21 6  18 o 27.733  5.02833 1.93632      0.740716  1.39717      0.722614  35.541      255.195     7.06397     255.195     
1 1 1 21 6  19 o 19.959  5.06587 0.690779     0.657115  0.885446     0.678901  20.7975     177.135     1.95542     357.135     
1 1 1 21 6  20 o 44.1718 4.09027 3.67482      0.933711  4.31416      0.879585  59.5118     122.819     13.0764     122.819     
1 1 1 21 6  21 o 12.9004 4.1212  0.141456     0.609398  -0.760661    0.620222  2.63269     277.902     0.809342    277.902     
1 1 1 21 6  22 o 24.4808 5.8246  1.19012      0.889191  1.57191      0.872642  35.6387     220.447     23.9179     220.447     
1 1 1 21 6  23 o 19.3254 5.50467 0.945962     0.905688  0.339153     0.80399   23.3067     72.7627     11.0799     72.7627     
1 1 1 21 6  24 o 31.8382 5.57369 2.4064       0.900885  2.33172      0.929523  46.8358     181.63      21.4105     181.63      
1 1 1 21 6  25 o 16.4624 4.82036 0.897339     0.781649  -0.406963    0.655635  14.524      337.596     4.56901     157.596     
1 1 1 21 6  26 o 25.0635 5.40955 1.40992      0.785507  1.57386      0.752955  29.4966     115.099     3.12574     115.099     
1 1 1 21 6  27 o 20.919  5.22377 1.46018      0.756749  0.448265     0.745848  22.1739     50.2901     1.03552     230.29      
1 1 1 21 6  28 o 18.2441 4.95747 1.22657      0.73449   -0.176601    0.748663  20.0431     87.9578     2.48769     87.9578     
1 1 1 21 6  29 o 18.1856 5.08221 0.967377     0.739885  0.360701     0.70699   18.4194     354.874     1.36347     174.874     
1 1 1 21 6  30 o 33.3558 4.90428 3.55704      0.865013  1.8506       0.79176   45.8531     32.7884     15.6153     32.7884     
1 1 1 21 6  31 o 18.6881 5.05559 1.36187      0.759767  0.115846     0.728314  10.87       261.608     19.4151     81.6077     
1 1 1 21 6  32 o 22.8261 5.47139 1.56728      0.787741  1.31359      0.757537  26.4822     315.722     3.31327     315.722     
1 1 1 21 6  33 o 15.8324 4.84375 0.292602     0.740837  0.541853     0.726207  15.9821     292.952     0.800323    292.952     
1 1 1 21 6  34 o 18.8317 5.22387 1.36352      0.774718  0.468184     0.789139  23.4668     213.634     12.6696     213.634     
1 1 1 21 6  35 o 14.3603 4.56661 -0.906104    0.748475  0.852092     0.791081  8.46659     10.2697     11.848      190.27      
1 1 1 21 6  36 o 21.3398 5.27418 0.631667     0.744343  2.1252       0.824909  28.2977     180.927     15.4374     180.927     
1 1 1 21 6  37 o 14.3415 4.63675 0.606915     0.798025  -0.23117     0.773261  11.545      162.194     4.90086     162.194     
1 1 1 21 6  38 o 15.0446 4.90806 0.749506     0.895852  -0.104091    0.924741  12.7871     252.55      6.15512     252.55      
1 1 1 21 6  39 o 16.1992 4.99282 1.33219      0.867991  0.119953     0.748276  16.074      198.767     6.41663     198.767     
1 1 1 21 6  40 o 12.2751 4.10783 -1.39797     0.772391  0.501993     0.724081  5.35928     237.595     0.606376    237.595     
1 1 1 21 6  41 o 16.0571 4.96856 0.816485     0.806254  0.745144     0.767327  11.1035     0.630524    5.59547     0.630524    
1 1 1 21 6  42 o 12.9429 4.35383 0.106783     0.803128  -0.0636102   0.795546  8.80867     90.6721     0.204936    270.672     
1 1 1 21 6  43 o 20.5531 5.542   2.30585      0.874423  1.18535      0.850906  21.8563     246.496     3.21114     246.496     
1 1 1 21 6  44 o 14.8729 4.91758 0.40031      0.983242  0.843513     0.920511  10.8531     7.52545     6.23725     187.525     
1 1 1 21 6  45 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 7  0  o 39.4442 4.3104  3.13732      0.818726  3.13732      0.818726  50.8207     90          2.8238      90          
1 1 1 21 7  1  o 27.1968 4.85242 1.24996      0.689933  1.82269      0.691531  30.8336     345.33      0.711338    165.33      
1 1 1 21 7  2  f 57.1831 3.41827 4.89447      0.962726  7.88112      1.00387   52.9457     340.51      0           0           
1 1 1 21 7  3  o 57.0598 3.32792 7.50713      0.981899  5.12916      0.944976  75.6647     127.75      10.7922     127.75      
1 1 1 21 7  4  o 24.5379 4.78543 1.79115      0.674137  0.679397     0.660576  23.5725     328.318     8.87757     148.318     
1 1 1 21 7  5  o 30.6022 4.68712 1.1583       0.745166  2.78393      0.734387  17.0096     264         39.5957     83.9996     
1 1 1 21 7  6  o 30.0434 4.64733 2.13499      0.725157  1.60109      0.685197  40.5347     93.5034     11.7351     93.5034     
1 1 1 21 7  7  o 35.9891 4.38915 3.05606      0.807944  2.22179      0.764807  36.3248     16.0896     14.1657     196.09      
1 1 1 21 7  8  o 38.7521 4.45228 4.44355      0.859436  1.88117      0.800954  31.0361     342.575     32.2274     162.575     
1 1 1 21 7  9  o 42.5453 4.34945 3.23008      0.896385  4.10228      0.96205   66.2343     108.541     30.5188     108.541     
1 1 1 21 7  10 o 29.3041 5.48141 1.92904      0.895383  1.78644      0.795748  34.3888     136.895     0.586298    136.895     
1 1 1 21 7  11 o 23.3373 5.59643 0.861646     0.82986   1.37521      0.809877  12.3609     168.497     29.5479     348.497     
1 1 1 21 7  12 o 36.9397 5.14036 2.80314      0.943778  2.97311      0.954649  37.0272     184.478     14.9328     4.4779      
1 1 1 21 7  13 o 16.5976 4.78758 0.0223762    0.634084  0.562574     0.689272  1.06082     235.992     35.381      55.992      
1 1 1 21 7  14 o 17.348  4.78778 -0.120338    0.676628  0.816125     0.658621  13.2201     354.686     11.2491     174.686     
1 1 1 21 7  15 o 21.9527 5.1713  0.911979     0.721605  1.07545      0.663518  21.3385     37.7553     7.08589     217.755     
1 1 1 21 7  16 o 30.4535 4.89973 2.3534       0.776931  1.62195      0.743559  29.896      269.438     12.4587     89.4384     
1 1 1 21 7  17 o 29.1976 4.49426 0.361686     0.734168  3.38506      0.799045  27.0557     274.078     15.0355     94.0784     
1 1 1 21 7  18 o 16.6636 4.79535 -0.117066    0.680564  0.672662     0.680429  17.667      44.4493     4.31044     44.4493     
1 1 1 21 7  19 o 11.1882 3.75644 -0.825364    0.548945  -0.369393    0.623216  5.66395     290.756     5.07162     110.756     
1 1 1 21 7  20 o 13.038  4.14568 -1.02679     0.576771  0.318035     0.669299  7.08401     224.484     11.4141     44.4836     
1 1 1 21 7  21 o 36.0355 4.78622 4.1237       0.852525  1.69117      0.847763  49.0049     245.609     13.4078     245.609     
1 1 1 21 7  22 o 34.1175 5.39388 3.72855      0.972997  1.6951       0.943858  35.1639     30.5088     9.84291     210.509     
1 1 1 21 7  23 o 20.1821 5.51061 0.32811      0.824755  1.22585      0.867558  19.9768     179.721     3.58416     359.721     
1 1 1 21 7  24 o 42.7277 4.4063  3.6658       0.931755  4.15874      0.960881  42.3038     224.967     16.754      44.9665     
1 1 1 21 7  25 o 13.9868 4.46919 -0.31334     0.694145  0.0474239    0.69639   5.29195     51.3737     18.5492     231.374     
1 1 1 21 7  26 o 18.2438 4.94765 0.112252     0.726116  1.0299       0.680554  18.4274     202.131     12.0106     202.131     
1 1 1 21 7  27 o 14.7495 4.61096 -0.067086    0.734666  0.197704     0.663668  9.31285     129.33      4.88538     129.33      
1 1 1 21 7  28 o 30.3405 5.09246 2.1823       0.791632  2.20836      0.786082  48.2327     333.145     29.5127     333.145     
1 1 1 21 7  29 o 19.2987 5.09082 0.670501     0.706987  1.03919      0.679072  25.0271     258.822     15.4272     258.822     
1 1 1 21 7  30 o 20.6649 4.98504 1.84037      0.77488   0.120347     0.700027  22.8095     259.036     0.941984    259.036     
1 1 1 21 7  31 o 17.2177 4.80256 0.00919608   0.685147  1.10481      0.687126  7.52093     297.483     5.6286      297.483     
1 1 1 21 7  32 o 19.2867 5.20331 1.1698       0.741955  0.773331     0.715334  18.9136     316.071     3.3777      136.071     
1 1 1 21 7  33 o 20.1984 5.45226 0.820828     0.800825  1.48483      0.821321  16.1466     137.379     11.3575     317.379     
1 1 1 21 7  34 o 19.9237 5.57211 1.564        0.836558  0.71336      0.98533   24.9514     76.8943     14.5477     76.8943     
1 1 1 21 7  35 o 19.3292 5.37203 2.03969      0.9388    0.0888209    0.796386  23.1456     230.902     9.58413     230.902     
1 1 1 21 7  36 o 16.3758 5.00781 -0.24513     0.829281  1.29355      0.851918  11.6776     160.353     9.95505     340.353     
1 1 1 21 7  37 o 15.4884 4.84349 0.942259     0.815887  0.0637867    0.743358  15.5185     236.865     5.11566     236.865     
1 1 1 21 7  38 o 16.6561 5.04664 1.27339      0.824554  0.288972     0.783613  17.3597     329.238     4.74499     329.238     
1 1 1 21 7  39 o 17.8079 5.05152 1.80284      0.821675  0.0423969    0.774815  16.7688     357.722     1.16261     177.722     
1 1 1 21 7  40 o 11.0884 3.81671 -0.61378     0.716626  -0.39256     0.692052  4.77649     71.1985     4.2222      251.199     
1 1 1 21 7  41 o 13.0199 4.31246 0.184299     0.728617  0.00827009   0.733227  8.47718     271.392     0.415028    271.392     
1 1 1 21 7  42 o 12.4468 4.2206  -0.751564    0.807541  0.358483     0.791963  7.2985      340.604     6.49652     160.604     
1 1 1 21 7  43 o 14.9015 4.7895  0.6092       0.827919  0.703572     0.790431  10.3583     18.6112     5.37186     18.6112     
1 1 1 21 7  44 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 8  0  o 12.0672 5.18831 0.290782     0.606485  0.290782     0.606485  0.399259    270         0.272822    89.9995     
1 1 1 21 8  1  f 46.9301 3.85755 3.69849      0.888616  5.02714      0.940025  59.4444     199.576     0           0           
1 1 1 21 8  2  o 22.9685 5.32279 1.14839      0.720689  1.01194      0.74423   29.4876     146.344     13.7278     146.344     
1 1 1 21 8  3  o 43.0648 4.14693 3.38506      0.893818  4.03329      0.903323  45.5872     210.192     13.7504     30.1923     
1 1 1 21 8  4  o 24.4956 5.26536 1.30683      0.726753  1.21684      0.729435  16.676      113.528     23.5877     293.528     
1 1 1 21 8  5  o 29.1685 5.19561 2.05247      0.800708  1.57156      0.776268  35.2008     282.263     2.73744     282.263     
1 1 1 21 8  6  o 15.8473 4.71678 0.291598     0.681612  0.0555949    0.640109  3.35515     172.268     27.6186     352.268     
1 1 1 21 8  7  o 43.06   4.24296 3.62621      0.926291  3.8397       0.915112  58.4808     208.62      12.8782     208.62      
1 1 1 21 8  8  o 20.6436 5.14582 1.06439      0.690731  0.551975     0.709766  25.0339     311.391     10.088      311.391     
1 1 1 21 8  9  o 52.2316 3.98205 4.28365      1.02158   6.68435      1.05529   60.779      348.154     6.22697     168.154     
1 1 1 21 8  10 o 10.2774 3.50783 -1.41897     0.568602  -0.420893    0.575846  1.51759     76.6222     12.7006     256.622     
1 1 1 21 8  11 o 19.7036 5.22958 0.990112     0.780621  0.376497     0.689251  23.6945     188.336     11.6596     188.336     
1 1 1 21 8  12 o 24.2787 5.47816 1.45369      0.780732  1.05733      0.788149  21.5499     9.03582     13.0376     189.036     
1 1 1 21 8  13 o 25.9549 5.30181 1.22929      0.74897   1.68707      0.769056  37.3127     126.389     16.9343     126.389     
1 1 1 21 8  14 o 41.9226 4.33314 3.74929      0.851331  3.42825      0.962189  63.432      22.9636     26.5362     22.9636     
1 1 1 21 8  15 o 28.3221 5.06607 1.06685      0.751556  2.44805      0.802783  24.6325     292.03      17.5441     112.03      
1 1 1 21 8  16 o 38.1564 4.42969 2.12148      0.816611  4.03651      0.822171  52.8301     97.9766     14.8915     97.9766     
1 1 1 21 8  17 o 17.6343 4.83267 0.323309     0.639618  0.682385     0.636685  9.36895     258.341     20.5034     78.3407     
1 1 1 21 8  18 o 22.9813 5.01864 1.52118      0.68984   0.760392     0.672366  31.2115     32.8134     12.9659     32.8134     
1 1 1 21 8  19 o 43.17   4.0792  4.78125      0.903186  2.98375      0.842584  55.2251     107.797     7.3451      107.797     
1 1 1 21 8  20 o 20.3407 4.98751 1.09715      0.64933   0.620716     0.661665  17.0812     120.418     11.17       300.418     
1 1 1 21 8  21 o 17.0635 4.74558 -0.0451358   0.639377  0.852325     0.666066  13.8257     338.945     8.59212     158.945     
1 1 1 21 8  22 o 28.2334 5.24753 1.92905      0.759241  1.72883      0.800455  37.4096     28.3816     10.9799     28.3816     
1 1 1 21 8  23 o 32.5013 5.4076  3.32107      0.965662  1.69399      0.870079  39.9976     159.919     4.985       159.919     
1 1 1 21 8  24 o 29.5906 5.34532 2.61922      0.918436  1.55216      0.744759  34.3961     292.149     1.10284     292.149     
1 1 1 21 8  25 o 12.1659 4.03792 -0.609199    0.626669  -0.278077    0.665467  8.28634     87.1349     2.73218     267.135     
1 1 1 21 8  26 o 16.6317 4.9146  -0.248412    0.663363  0.926376     0.81443   13.7631     235.107     7.21391     55.1067     
1 1 1 21 8  27 o 16.0923 4.86331 0.0636509    0.721396  0.542241     0.734686  17.1853     43.3804     4.33607     43.3804     
1 1 1 21 8  28 o 19.8434 5.2601  0.786812     0.780846  1.05436      0.70047   25.1359     107.965     10.0106     107.965     
1 1 1 21 8  29 o 11.4733 3.87078 -0.818521    0.616755  -0.280456    0.665166  6.52866     238.713     1.43912     238.713     
1 1 1 21 8  30 o 19.7849 5.37585 0.911105     0.745667  1.09756      0.804732  18.5815     23.246      5.51266     203.246     
1 1 1 21 8  31 o 14.9393 4.56477 -0.541375    0.763349  0.724291     0.668105  15.2718     239.547     7.90975     239.547     
1 1 1 21 8  32 o 17.3061 4.98679 0.249044     0.74138   1.05044      0.72928   8.39845     54.3282     20.5641     234.328     
1 1 1 21 8  33 o 18.3224 5.09819 1.40994      0.788901  0.322199     0.699926  20.5457     15.2776     13.1648     15.2776     
1 1 1 21 8  34 o 18.0629 5.12936 0.392891     0.789148  1.30044      0.759705  20.4297     89.6492     11.2275     89.6492     
1 1 1 21 8  35 o 16.2021 4.95097 0.930292     0.789509  0.269431     0.75734   7.77417     178.896     4.99291     178.896     
1 1 1 21 8  36 o 17.1686 5.1031  0.506879     0.795776  1.13268      0.780734  18.3279     247.978     4.39406     247.978     
1 1 1 21 8  37 o 12.7771 4.25475 0.180874     0.734617  -0.375768    0.731615  9.86939     76.1131     1.20309     76.1131     
1 1 1 21 8  38 o 11.8732 4.01977 0.349936     0.74047   -1.28919     0.707849  4.9003      153.458     0.713958    153.458     
1 1 1 21 8  39 o 11.7646 3.99455 0.144338     0.727665  -0.846407    0.699305  3.08698     74.8001     0.115031    74.8001     
1 1 1 21 8  40 o 14.3265 4.61322 0.572813     0.760137  0.201723     0.75454   9.8352      253.497     2.96308     253.497     
1 1 1 21 8  41 f 13.4914 4.48975 0.0633865    0.791576  0.316154     0.823141  13.6316     349.386     0           0           
1 1 1 21 8  42 o 18.4545 4.89214 -1.16926     0.853076  2.68665      0.891854  20.4699     326.389     6.43253     326.389     
1 1 1 21 8  43 o 13.1662 4.26334 1.21704      0.774017  -1.67063     0.70015   9.89872     170.154     3.34385     170.154     
1 1 1 21 8  44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 9  0  o 69.4593 3.41158 9.20475      1.21449   9.20475      1.21449   110.26      90          47.9379     90          
1 1 1 21 9  1  o 53.5113 3.7899  5.09108      1.02676   6.22224      1.03821   76.5047     70.6229     22.4543     70.6229     
1 1 1 21 9  2  o 11.6906 3.78653 -1.2915      0.539467  0.126134     0.579524  4.28795     290.983     8.0157      110.983     
1 1 1 21 9  3  o 40.2132 4.50309 3.49133      0.940131  3.1197       0.875134  46.8071     22.9501     3.51879     202.95      
1 1 1 21 9  4  o 23.7962 4.95321 2.05374      0.78661   0.180379     0.726192  14.1237     295.542     27.3324     115.542     
1 1 1 21 9  5  o 13.8663 4.32881 0.170103     0.641258  -0.422434    0.601493  9.29014     129.577     4.40981     309.577     
1 1 1 21 9  6  f 11.4955 3.77299 0.0481231    0.592986  -1.4586      0.565438  16.405      338.392     0           0           
1 1 1 21 9  7  o 18.7943 5.05389 0.630945     0.670305  0.568902     0.69154   8.09739     339.596     60.1121     339.596     
1 1 1 21 9  8  o 28.8753 4.72237 0.704506     0.720737  2.91726      0.79242   32.0816     55.2902     3.73195     235.29      
1 1 1 21 9  9  o 17.8928 4.83    0.5859       0.6204    0.467349     0.627681  15.873      223.022     6.63302     43.0221     
1 1 1 21 9  10 o 23.1997 4.90318 0.644541     0.656318  1.59413      0.681161  23.19       167.309     6.83196     347.309     
1 1 1 21 9  11 o 23.5212 5.07302 1.42993      0.69134   0.912542     0.679223  13.4071     337.36      28.2442     157.36      
1 1 1 21 9  12 o 22.0267 5.17742 1.2042       0.711869  0.811469     0.681493  22.7221     345.311     4.09346     165.311     
1 1 1 21 9  13 o 16.6149 4.75524 0.661319     0.680158  -0.0669141   0.637097  2.54766     195.455     32.3607     15.4548     
1 1 1 21 9  14 o 34.0133 4.83797 2.919        0.853363  2.03599      0.795191  38.8953     118.091     2.89545     298.091     
1 1 1 21 9  15 o 11.3571 3.77189 -0.364458    0.539422  -0.620174    0.596409  4.29046     311.295     12.1314     131.295     
1 1 1 21 9  16 o 29.3285 4.95019 2.13322      0.756124  1.62577      0.733998  40.4546     356.988     13.5845     356.988     
1 1 1 21 9  17 o 15.3549 4.56643 0.437963     0.636801  -0.0875994   0.623656  9.06069     127.684     14.3878     307.684     
1 1 1 21 9  18 o 23.737  5.05177 0.813408     0.685083  1.67812      0.712435  25.9789     62.7683     1.52756     242.768     
1 1 1 21 9  19 o 14.6233 4.31904 -0.797021    0.625694  0.646971     0.620944  12.9923     191.231     0.939416    11.2313     
1 1 1 21 9  20 o 27.368  5.04916 1.9953       0.753025  1.39349      0.706341  42.0209     140.626     24.4714     140.626     
1 1 1 21 9  21 o 9.10093 3.18593 -0.713642    0.56986   -1.54476     0.520639  1.77113     281.635     4.08093     101.635     
1 1 1 21 9  22 o 29.4691 4.73308 3.23411      0.804927  0.80605      0.748703  34.8264     2.15836     1.95494     2.15835     
1 1 1 21 9  23 o 14.9934 4.67901 0.403753     0.773611  -0.354886    0.669927  8.69665     275.66      4.36688     275.66      
1 1 1 21 9  24 o 14.4567 4.57335 0.436054     0.770502  -0.749169    0.696174  7.28626     68.0388     15.475      248.039     
1 1 1 21 9  25 o 13.8402 4.36623 -0.546007    0.626216  0.357824     0.687936  11.8545     119.707     1.52355     299.707     
1 1 1 21 9  26 o 11.1307 3.75612 -0.177197    0.604252  -1.38779     0.665337  6.93664     226.576     3.87902     46.5758     
1 1 1 21 9  27 o 18.1549 5.16129 1.01467      0.778679  0.284493     0.749118  20.3569     151.909     3.76811     151.909     
1 1 1 21 9  28 o 17.2197 5.07686 0.372377     0.740628  0.73076      0.77267   19.2592     120.874     4.49368     120.874     
1 1 1 21 9  29 o 20.0872 5.21935 0.0136661    0.847978  1.73225      0.808649  25.0556     99.3181     8.51901     99.3181     
1 1 1 21 9  30 f 17.8489 5.12304 0.670062     0.789879  0.812193     0.700819  14.313      63.4198     0           0           
1 1 1 21 9  31 o 12.0635 3.91134 -1.39314     0.624409  0.404983     0.613079  6.8109      104.2       2.50452     104.2       
1 1 1 21 9  32 o 18.542  4.9353  0.239553     0.712876  1.42357      0.70725   21.2626     107.426     5.37716     107.426     
1 1 1 21 9  33 o 13.7894 4.4617  0.71492      0.800657  -0.834542    0.684939  11.7672     152.988     1.25745     152.988     
1 1 1 21 9  34 o 15.4299 4.82613 0.43921      0.76018   0.469773     0.762025  15.1309     255.604     4.17038     255.604     
1 1 1 21 9  35 o 10.8972 3.72518 -0.362813    0.634356  -0.682817    0.650352  6.10967     35.9823     4.71127     215.982     
1 1 1 21 9  36 o 9.77307 3.41668 -0.960773    0.647968  -0.833415    0.625541  2.48752     172.519     0.567022    352.519     
1 1 1 21 9  37 o 16.2488 4.98189 1.07912      0.822866  0.437718     0.737742  11.1793     283.506     10.04       103.506     
1 1 1 21 9  38 o 14.4964 4.73105 0.339945     0.845458  0.391212     0.814466  11.3279     123.247     2.11017     303.247     
1 1 1 21 9  39 o 14.6215 4.72416 -0.0563187   0.782916  0.858269     0.838155  11.0209     264.491     2.94262     84.4907     
1 1 1 21 9  40 o 18.7642 5.07815 0.230213     0.791741  2.04592      0.805001  15.2492     43.5698     10.4675     43.5698     
1 1 1 21 9  41 o 16.8451 5.14863 1.84059      0.911662  0.0884559    0.863882  16.3908     91.338      2.40388     91.338      
1 1 1 21 9  42 o 15.8588 4.96808 1.31006      0.855581  0.389942     0.790085  13.4974     186.892     2.69439     6.89177     
1 1 1 21 9  43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 10 0  o 18.7684 6.37865 1.03408      0.71697   1.03408      0.71697   15.4655     270         15.2188     90          
1 1 1 21 10 1  o 30.6735 4.74695 1.95482      0.72817   1.98811      0.73935   33.6961     48.5203     5.18315     228.52      
1 1 1 21 10 2  o 23.8169 5.19522 1.33642      0.708327  1.0632       0.708383  14.1035     310.645     27.4446     130.645     
1 1 1 21 10 3  o 46.0328 4.08972 5.92022      0.928129  2.82123      0.876922  43.8653     80.6973     24.3497     260.697     
1 1 1 21 10 4  o 12.5351 3.98116 -0.401235    0.541243  -0.000190638 0.549833  4.30458     294.235     16.2182     114.235     
1 1 1 21 10 5  o 17.0408 4.50084 -0.286971    0.592037  0.950037     0.619528  18.0113     111.301     2.27068     111.301     
1 1 1 21 10 6  o 12.8215 4.04728 0.134652     0.574778  -0.588846    0.56036   6.31166     179.803     12.5864     359.803     
1 1 1 21 10 7  o 44.6922 3.77157 3.83048      0.841108  4.10635      0.871905  50.276      55.9138     7.83915     235.914     
1 1 1 21 10 8  o 44.4644 3.9165  3.35414      0.870936  4.59531      0.871571  47.8788     67.3213     11.9944     247.321     
1 1 1 21 10 9  o 47.2635 3.67734 4.87698      0.897033  3.9945       0.869176  63.6104     67.6108     12.9583     67.6108     
1 1 1 21 10 10 o 17.3311 4.64274 -0.0817008   0.618985  0.885777     0.624718  18.992      164.343     9.30766     164.343     
1 1 1 21 10 11 o 54.5221 3.40262 6.0491       0.959434  5.62658      0.943583  65.1722     81.3666     1.96708     261.367     
1 1 1 21 10 12 o 32.9493 4.72981 2.8022       0.801894  1.84263      0.760585  37.6971     92.0276     2.49976     272.028     
1 1 1 21 10 13 f 23.6706 5.40744 1.16137      0.75608   1.29454      0.757227  37.3373     331.833     0           0           
1 1 1 21 10 14 o 15.1359 4.46375 0.662521     0.663213  -0.656054    0.62606   8.33098     359.908     4.25159     359.908     
1 1 1 21 10 15 o 35.7989 4.55579 2.31785      0.785603  3.14348      0.840104  30.5191     231.525     24.2142     51.525      
1 1 1 21 10 16 o 22.9081 4.723   0.234779     0.669472  1.94384      0.711552  23.2203     344.08      5.34088     164.08      
1 1 1 21 10 17 o 17.3156 4.8299  0.207937     0.663651  0.713311     0.645465  15.2609     183.303     5.9331      3.30274     
1 1 1 21 10 18 o 22.2014 4.84456 0.255635     0.693488  1.77456      0.707977  30.6124     347.996     15.0647     347.996     
1 1 1 21 10 19 o 17.9262 4.9512  0.793731     0.689455  0.323793     0.662043  8.23113     82.6875     23.2169     262.687     
1 1 1 21 10 20 o 11.7532 3.88624 -1.24588     0.561498  0.0753547    0.651126  6.80186     70.5179     5.37339     250.518     
1 1 1 21 10 21 f 13.4371 4.25174 -0.750374    0.60688   0.327429     0.668262  18.2374     93.0527     0           0           
1 1 1 21 10 22 o 17.2304 4.97811 0.724738     0.756313  0.20971      0.664558  8.26401     205.049     21.047      25.049      
1 1 1 21 10 23 o 24.4085 5.98925 1.83561      1.04182   1.21782      0.80953   27.9281     136.832     2.25592     136.832     
1 1 1 21 10 24 o 24.8727 5.94764 1.74429      0.961847  1.47498      0.860763  17.6397     260.186     20.9987     80.186      
1 1 1 21 10 25 f 20.0368 5.28811 0.939206     0.76484   0.93388      0.710692  25.7943     166.297     0           0           
1 1 1 21 10 26 o 24.2239 5.04985 0.818066     0.759079  2.04639      0.719319  28.1254     304.81      2.58625     304.81      
1 1 1 21 10 27 o 21.1758 5.15323 0.544188     0.738486  1.6352       0.73858   18.7642     207.084     9.10089     27.0843     
1 1 1 21 10 28 o 26.4855 5.33987 1.67571      0.77266   2.01234      0.772105  35.7579     165.646     13.3944     165.646     
1 1 1 21 10 29 o 11.7274 3.93932 -0.283369    0.623623  -0.59875     0.684278  7.49807     280.325     2.40713     280.325     
1 1 1 21 10 30 o 23.3983 5.11521 0.277614     0.79421   2.63578      0.862708  30.1205     136.248     10.1962     136.248     
1 1 1 21 10 31 o 14.9313 4.70086 0.51527      0.790814  0.0687284    0.673886  14.6419     100.065     4.7935      100.065     
1 1 1 21 10 32 o 11.1313 3.7923  -1.17265     0.719543  -0.175788    0.62901   6.1825      346.078     5.41715     166.078     
1 1 1 21 10 33 o 18.5227 5.31405 0.848773     0.811209  1.17913      0.793634  21.163      208.456     12.0961     208.456     
1 1 1 21 10 34 o 13.0431 4.27612 0.327041     0.713101  -0.399694    0.683517  8.80361     112.37      2.91077     112.37      
1 1 1 21 10 35 o 18.4699 5.14392 1.0568       0.739269  1.07791      0.709118  19.413      12.5154     2.05015     12.5154     
1 1 1 21 10 36 o 13.9687 4.41808 -0.441903    0.687164  0.826075     0.70772   11.8635     205.708     0.598529    205.708     
1 1 1 21 10 37 o 15.192  4.68462 -0.0610653   0.721828  1.04019      0.740444  13.5464     272.149     2.70027     272.149     
1 1 1 21 10 38 o 18.4401 5.27599 0.610656     0.889056  1.68375      0.806688  17.7495     102.603     10.0619     102.603     
1 1 1 21 10 39 o 8.97061 3.18259 -1.0344      0.624693  -1.48697     0.668596  0.570886    132.359     1.00947     312.359     
1 1 1 21 10 40 o 13.0441 4.41143 -0.423107    0.808096  0.443277     0.876752  8.99525     306.233     1.03542     306.233     
1 1 1 21 10 41 o 10.4947 3.67971 -1.10339     0.736354  -0.503182    0.769337  5.20982     167.301     2.63205     347.301     
1 1 1 21 10 42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 11 0  o 66.7873 3.12638 8.48505      1.0713    8.48505      1.0713    109.341     90          54.4439     90          
1 1 1 21 11 1  o 51.6407 3.41984 5.42992      0.916763  5.0151       0.892434  63.6267     16.1182     1.84528     16.1182     
1 1 1 21 11 2  o 20.7013 4.7572  1.37774      0.656788  0.272321     0.618989  15.1266     42.0119     16.9741     222.012     
1 1 1 21 11 3  o 47.9604 3.58431 4.25723      0.875554  4.82661      0.87606   53.1261     43.1756     10.0542     223.176     
1 1 1 21 11 4  o 14.047  4.31341 -0.0374452   0.600285  0.0688556    0.568442  10.7578     322.182     5.15257     142.182     
1 1 1 21 11 5  o 69.0348 3.22982 9.73351      1.19166   8.78409      1.10743   98.4791     35.0937     28.8288     35.0937     
1 1 1 21 11 6  o 32.0463 4.65767 2.03106      0.759039  2.28771      0.736259  36.5074     123.15      2.72743     303.15      
1 1 1 21 11 7  o 15.4085 4.49395 -0.0420938   0.619865  0.43902      0.574312  12.0446     31.4349     7.50824     211.435     
1 1 1 21 11 8  o 21.8986 4.84925 1.47174      0.661149  0.493394     0.645946  12.8034     18.8974     24.9392     198.897     
1 1 1 21 11 9  o 16.1254 4.66163 0.457243     0.620375  0.134312     0.628489  16.0746     155.869     1.3793      155.869     
1 1 1 21 11 10 o 15.1306 4.51991 0.160574     0.603066  0.190391     0.614811  13.1023     184.279     4.81879     184.279     
1 1 1 21 11 11 o 10.0455 3.41373 -0.884956    0.499525  -0.469387    0.536442  3.22146     271.541     8.00669     91.5406     
1 1 1 21 11 12 o 35.7606 4.53332 3.20154      0.807326  2.23499      0.800577  49.409      136.156     14.8298     136.156     
1 1 1 21 11 13 o 21.7398 5.2225  1.2069       0.732284  0.8344       0.681149  29.7464     9.93612     17.956      9.93612     
1 1 1 21 11 14 o 34.4291 4.85287 2.63799      0.854655  2.5155       0.816761  46.287      77.3544     12.2638     77.3544     
1 1 1 21 11 15 o 26.3437 5.62469 1.63766      0.782872  1.58134      0.887522  22.2403     205.101     16.1335     25.1013     
1 1 1 21 11 16 o 15.3959 4.52812 0.66259      0.641877  -0.572804    0.683248  13.8676     8.8776      5.60135     8.8776      
1 1 1 21 11 17 o 35.6108 4.78623 2.70148      0.897509  2.84465      0.800905  45.2811     216.513     7.48611     216.513     
1 1 1 21 11 18 o 14.2801 4.44275 0.122641     0.66444   -0.0591138   0.609058  11.3277     159.531     3.35715     159.531     
1 1 1 21 11 19 o 20.8242 4.3273  2.03751      0.727369  -0.64146     0.634794  28.7271     262.36      16.6104     262.36      
1 1 1 21 11 20 o 18.2169 4.96989 1.03676      0.739351  0.189184     0.636366  18.8629     329.474     0.156991    329.473     
1 1 1 21 11 21 o 17.7227 4.94675 0.724191     0.684335  0.42813      0.664448  20.5488     117.217     9.41219     117.217     
1 1 1 21 11 22 o 21.8235 5.17119 1.33426      0.696568  0.901071     0.700974  28.7107     127.53      11.813      127.53      
1 1 1 21 11 23 o 18.7524 5.34971 0.922535     0.847317  0.505277     0.760722  22.8039     258.131     9.66784     258.131     
1 1 1 21 11 24 f 24.921  5.77555 1.62505      0.901502  1.63298      0.823114  26.2917     132.154     0           0           
1 1 1 21 11 25 o 9.79058 3.37707 -0.999347    0.571841  -0.638627    0.55034   4.84485     182.031     4.31419     2.03111     
1 1 1 21 11 26 o 14.7733 4.51491 0.212153     0.646144  0.281005     0.621152  13.699      22.0304     7.17054     22.0304     
1 1 1 21 11 27 f 24.906  5.16283 2.27997      0.780842  0.99823      0.729032  30.7879     77.3974     0           0           
1 1 1 21 11 28 o 13.7971 4.36265 0.157        0.661304  0.0640099    0.616558  10.3455     90.4893     5.48322     90.4893     
1 1 1 21 11 29 o 15.5686 4.71906 0.409165     0.689098  0.44002      0.672927  14.8491     99.4412     0.816615    279.441     
1 1 1 21 11 30 o 14.8041 4.55336 0.777872     0.693726  -0.430895    0.715883  14.4341     139.692     4.85347     139.692     
1 1 1 21 11 31 o 14.1831 4.56732 -0.208364    0.740708  0.438493     0.757289  12.2939     279.988     0.240579    279.988     
1 1 1 21 11 32 o 31.5526 5.84778 1.86591      1.00075   4.65549      1.12426   46.8282     257.058     26.2081     257.058     
1 1 1 21 11 33 o 14.0279 4.49753 -0.0687418   0.766621  0.423943     0.679008  10.3897     329.545     4.49731     329.545     
1 1 1 21 11 34 o 15.0404 4.58702 1.02235      0.71143   -0.330166    0.707739  14.5772     267.282     2.38458     267.282     
1 1 1 21 11 35 o 18.0948 5.14541 1.30109      0.76062   0.818973     0.732525  20.4356     138.322     10.0424     138.322     
1 1 1 21 11 36 o 11.5075 3.89234 -0.340006    0.65925   -0.213424    0.655999  5.87923     156.286     1.5459      336.286     
1 1 1 21 11 37 o 13.6941 4.43655 0.753496     0.766536  -0.352671    0.684792  8.45551     257.36      6.92562     77.3604     
1 1 1 21 11 38 o 16.8866 5.17534 1.05704      0.851246  0.895641     0.821941  16.3641     73.8206     3.97456     73.8206     
1 1 1 21 11 39 o 14.8542 4.62774 1.43261      0.81412   -0.632597    0.700311  6.55439     199.387     3.52646     199.387     
1 1 1 21 11 40 o 14.9108 4.83898 0.681602     0.859929  0.607412     0.841535  13.1862     104.753     1.02484     104.753     
1 1 1 21 11 41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 12 0  o 66.8355 3.13317 8.52131      1.07437   8.52131      1.07437   99.4016     270         35.4203     270         
1 1 1 21 12 1  o 15.8732 4.41682 -0.212418    0.561574  0.730327     0.593342  7.68464     89.3129     19.2161     269.313     
1 1 1 21 12 2  o 20.119  4.8246  0.459524     0.618427  1.14109      0.629765  18.4059     336.069     7.87501     156.069     
1 1 1 21 12 3  o 24.937  4.63649 2.0115       0.665131  0.64613      0.651913  27.2944     91.3862     2.56049     271.386     
1 1 1 21 12 4  o 31.8206 4.56895 3.08803      0.751423  1.31576      0.718109  37.3361     333.78      0.0950899   153.778     
1 1 1 21 12 5  o 15.3555 4.40591 0.597915     0.591496  -0.184235    0.564508  8.81353     324.098     15.0656     144.098     
1 1 1 21 12 6  o 26.4953 4.29455 0.346394     0.647375  2.68439      0.688728  31.8482     25.8907     2.75353     25.8907     
1 1 1 21 12 7  o 13.5364 4.14918 0.358527     0.604827  -0.435079    0.509497  0.280822    342.298     29.879      342.298     
1 1 1 21 12 8  o 23.2285 4.97013 1.2017       0.640025  1.14991      0.659566  29.3385     46.7268     7.58692     46.7268     
1 1 1 21 12 9  o 11.0048 3.70194 -0.516688    0.518315  -0.661215    0.632881  3.29609     90.2679     13.3782     270.268     
1 1 1 21 12 10 o 16.7825 4.75063 0.242996     0.600489  0.588947     0.660788  17.6828     147.991     3.34022     147.991     
1 1 1 21 12 11 o 15.1564 4.45211 0.626635     0.634812  -0.436095    0.611419  4.19985     30.1116     24.5267     210.112     
1 1 1 21 12 12 o 17.0321 4.85584 0.500721     0.712459  0.377379     0.60601   12.6116     20.0498     11.1012     200.05      
1 1 1 21 12 13 o 21.7885 4.60511 -0.00607905  0.682909  1.82341      0.679943  8.03692     151.684     34.0595     331.684     
1 1 1 21 12 14 o 15.3931 4.68233 0.324785     0.744884  0.0214631    0.599958  12.5131     99.7167     5.53399     99.7167     
1 1 1 21 12 15 o 19.4895 4.99294 0.28821      0.679957  1.18342      0.695782  20.8849     48.4341     0.583367    48.4342     
1 1 1 21 12 16 o 23.9205 5.31052 0.886176     0.715103  1.76967      0.794284  29.5546     10.5299     6.8084      10.5299     
1 1 1 21 12 17 o 21.7594 5.11864 1.34682      0.692812  0.773028     0.689732  25.2309     115.718     3.60025     115.718     
1 1 1 21 12 18 o 20.2573 5.15944 1.1433       0.719506  0.636246     0.685917  0.127143    318.553     45.848      138.552     
1 1 1 21 12 19 o 19.794  5.19948 0.629227     0.682631  1.06239      0.749842  24.5842     259.264     9.74567     259.264     
1 1 1 21 12 20 o 52.0154 3.64553 5.08277      0.952462  6.15223      0.981407  69.9931     98.2236     17.6971     98.2236     
1 1 1 21 12 21 o 29.9686 4.98718 1.6074       0.779006  2.64763      0.77186   32.575      37.1885     3.33505     217.189     
1 1 1 21 12 22 o 38.8313 4.66171 2.18833      0.858752  4.8416       0.884529  56.6927     245.603     24.1335     245.603     
1 1 1 21 12 23 o 16.3674 4.83037 0.268171     0.651498  0.604333     0.717345  17.1663     218.106     9.63842     218.106     
1 1 1 21 12 24 o 15.4571 4.84555 0.289467     0.840477  0.13167      0.697597  13.8893     80.8843     7.77238     80.8843     
1 1 1 21 12 25 o 31.9615 5.07685 2.24032      0.841685  2.83464      0.805418  36.5475     172.153     0.494807    172.153     
1 1 1 21 12 26 o 13.652  4.18555 -0.917239    0.637284  0.661008     0.615374  13.509      223.339     3.72831     223.339     
1 1 1 21 12 27 o 16.9339 4.6861  -0.096417    0.684557  1.12857      0.655338  19.0562     103.547     11.8637     103.547     
1 1 1 21 12 28 o 10.9129 3.69508 -0.240155    0.619043  -0.743191    0.56957   6.87363     346.751     1.98228     166.751     
1 1 1 21 12 29 o 10.6767 3.62797 -1.1006      0.614783  -0.149712    0.589026  5.8946      15.8048     3.86747     195.805     
1 1 1 21 12 30 o 13.8768 4.17251 -1.55458     0.673919  0.971344     0.647996  11.1413     141.44      4.17345     141.44      
1 1 1 21 12 31 o 9.01922 3.18098 -1.48731     0.586385  -0.804861    0.602986  1.62593     163         1.50419     343         
1 1 1 21 12 32 o 8.94226 3.16215 -0.869149    0.53499   -1.74657     0.715784  2.20687     1.19146     2.31747     181.191     
1 1 1 21 12 33 o 14.5232 4.64857 -0.0428084   0.764831  0.640547     0.764918  12.6034     55.541      5.32797     55.541      
1 1 1 21 12 34 o 15.1048 4.7394  1.13876      0.836224  -0.16666     0.673052  4.53914     335.358     2.62969     335.358     
1 1 1 21 12 35 o 13.6614 4.39219 0.709089     0.712691  -0.458524    0.719413  10.2436     27.272      1.40177     207.272     
1 1 1 21 12 36 o 14.9486 4.58964 -0.203441    0.699419  1.0711       0.718904  7.89361     295.549     3.56632     295.549     
1 1 1 21 12 37 o 14.5499 4.69577 0.438654     0.821768  0.455147     0.753467  8.61699     38.4574     9.92805     218.457     
1 1 1 21 12 38 o 14.7114 4.73164 1.29954      0.880593  -0.447699    0.760474  10.1095     233.114     4.46119     233.114     
1 1 1 21 12 39 o 13.5685 4.45848 0.637014     0.774766  -0.0781941   0.753316  5.9033      208.314     2.72031     208.314     
1 1 1 21 12 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 13 0  o 75.5631 3.07656 10.8859      1.19584   10.8859      1.19584   119.141     90          54.7521     90          
1 1 1 21 13 1  o 19.7669 4.62396 1.35552      0.632191  0.076819     0.622606  17.2613     94.8766     9.25764     274.877     
1 1 1 21 13 2  o 54.6278 3.63156 5.20841      0.930878  6.80538      1.10375   74.793      83.2389     18.6312     83.2389     
1 1 1 21 13 3  o 29.595  5.22274 2.52817      0.741962  1.36219      0.93763   38.5825     96.8928     9.38917     96.8928     
1 1 1 21 13 4  o 25.5306 5.06034 1.20481      0.675773  1.70013      0.727205  32.8767     24.6625     8.65906     24.6625     
1 1 1 21 13 5  o 15.9359 4.59845 0.175486     0.636255  0.443372     0.577668  7.95195     111.642     18.4633     291.642     
1 1 1 21 13 6  o 15.95   4.61308 0.409568     0.638778  0.245619     0.572422  14.4895     308.329     2.75075     128.329     
1 1 1 21 13 7  o 21.3762 5.12442 1.18117      0.70919   0.794189     0.65243   24.1245     100.488     1.87672     100.488     
1 1 1 21 13 8  f 16.3499 4.64482 0.643697     0.643989  0.0902661    0.583976  31.4943     274.605     0           0           
1 1 1 21 13 9  o 20.181  4.82198 0.44976      0.635316  1.20938      0.627125  24.2687     160.062     6.27063     160.062     
1 1 1 21 13 10 o 19.0603 4.93367 0.534956     0.638413  0.9039       0.648877  15.2078     65.3204     10.7372     65.3204     
1 1 1 21 13 11 o 34.508  4.59805 1.93189      0.791779  3.27457      0.776945  34.0152     191.143     12.8879     11.1432     
1 1 1 21 13 12 o 21.7524 4.9205  1.48062      0.673551  0.57653      0.650984  30.1213     48.6302     18.2824     48.6302     
1 1 1 21 13 13 o 26.0891 4.91619 1.15809      0.691899  1.92675      0.69377   35.981      171.984     14.4845     171.984     
1 1 1 21 13 14 o 14.624  4.35899 0.623351     0.637673  -0.566355    0.59411   13.2303     192.61      2.42406     192.61      
1 1 1 21 13 15 o 14.5787 4.46273 0.123413     0.644757  0.123657     0.596196  13.1234     124.012     1.60989     124.012     
1 1 1 21 13 16 o 14.0222 4.29974 0.436341     0.616559  -0.507245    0.610427  11.9241     328.023     1.22845     148.023     
1 1 1 21 13 17 o 16.9829 4.80164 0.423528     0.656187  0.565968     0.627131  10.8398     335.992     14.7669     155.992     
1 1 1 21 13 18 o 14.4553 4.32246 -0.461324    0.607626  0.580425     0.602758  13.5697     353.85      1.18291     353.85      
1 1 1 21 13 19 o 17.1695 4.84464 0.344844     0.682462  0.707439     0.638253  16.2276     98.1299     3.11673     278.13      
1 1 1 21 13 20 o 18.3689 4.95539 0.532793     0.698733  0.878632     0.636193  22.8816     281.237     11.843      281.237     
1 1 1 21 13 21 o 10.8598 3.65405 -0.753056    0.574022  -0.304848    0.563159  6.69451     240.823     1.23485     60.8228     
1 1 1 21 13 22 o 25.2279 5.40877 1.55586      0.787894  1.72418      0.754182  29.2037     101.608     2.64589     101.608     
1 1 1 21 13 23 o 21.835  4.964   2.00891      0.744435  0.110861     0.819768  25.8761     283.086     4.65333     283.086     
1 1 1 21 13 24 o 14.6884 4.65526 0.198275     0.781673  0.100008     0.680887  14.5542     73.041      6.69545     73.041      
1 1 1 21 13 25 o 17.5145 5.0676  1.2599       0.839496  0.0909914    0.673392  12.7438     114.288     11.8343     294.288     
1 1 1 21 13 26 o 17.2324 4.9367  0.590283     0.699834  0.780064     0.677691  19.5554     295.783     11.4036     295.783     
1 1 1 21 13 27 o 13.5857 4.3123  0.465958     0.664325  -0.408261    0.642853  12.0127     126.376     1.74018     126.376     
1 1 1 21 13 28 o 13.7152 4.24125 0.87125      0.683397  -1.12205     0.626849  11.9111     356.516     1.29713     356.516     
1 1 1 21 13 29 o 16.5279 4.91981 0.823048     0.739902  0.492515     0.69939   16.8315     298.046     2.95391     298.046     
1 1 1 21 13 30 o 11.2899 3.85536 -0.485102    0.63822   -0.518763    0.721812  6.65109     161.588     4.52534     341.588     
1 1 1 21 13 31 f 14.5026 4.4478  -0.596667    0.679562  0.96371      0.695351  7.98877     311.788     0           0           
1 1 1 21 13 32 o 15.2523 4.7033  0.290542     0.717709  0.73381      0.701322  14.9142     242.445     4.11904     242.445     
1 1 1 21 13 33 o 12.5622 4.20745 -0.296383    0.685309  0.0973961    0.768457  7.501       241.098     6.83991     61.0977     
1 1 1 21 13 34 o 16.7232 5.06077 0.94232      0.752117  0.784995     0.819428  14.4965     242.153     2.27305     62.1527     
1 1 1 21 13 35 o 17.0836 5.22187 1.22933      0.848792  0.701482     0.87074   15.5006     247.931     0.114997    247.93      
1 1 1 21 13 36 o 11.1334 3.82724 -0.384004    0.752328  -0.490001    0.63869   3.83043     250.745     0.706887    70.7451     
1 1 1 21 13 37 o 15.8448 4.95858 1.08814      0.865377  0.554786     0.739241  13.1881     210.407     6.41445     210.407     
1 1 1 21 13 38 o 17.0694 4.98239 2.03356      0.86188   -0.318075    0.801022  15.5075     198.644     9.52431     198.644     
1 1 1 21 13 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 14 0  o 13.3829 5.66567 0.453822     0.700693  0.453822     0.700693  10.314      270         9.31896     90          
1 1 1 21 14 1  o 24.5856 5.19363 1.74437      0.773969  1.00538      0.673318  22.3295     330.354     11.1753     150.354     
1 1 1 21 14 2  o 28.3475 4.86734 1.37803      0.699873  2.202        0.734758  28.4306     226.524     8.51609     46.5239     
1 1 1 21 14 3  o 9.36214 3.20839 -0.943167    0.467245  -0.495756    0.495552  2.28695     43.6522     5.70115     223.652     
1 1 1 21 14 4  o 31.9641 4.70159 1.62173      0.765141  2.88446      0.748718  34.3526     261.002     5.63859     81.0021     
1 1 1 21 14 5  o 24.8508 5.0398  2.51913      0.90395   0.392312     0.62003   32.5001     17.9169     10.3544     17.9169     
1 1 1 21 14 6  o 18.8307 5.06717 0.607132     0.762056  0.737441     0.619793  19.3445     321.394     0.670652    141.394     
1 1 1 21 14 7  o 21.1176 5.1126  0.461361     0.809845  1.32319      0.655222  25.5544     27.6389     6.60217     27.6389     
1 1 1 21 14 8  o 19.8692 4.95317 0.790215     0.650487  0.885154     0.621136  13.8858     114.412     16.2309     294.412     
1 1 1 21 14 9  o 27.5034 4.76562 2.45948      0.731394  0.982277     0.690886  31.9536     245.594     1.43501     245.594     
1 1 1 21 14 10 o 13.6162 4.20025 0.231057     0.572613  -0.194992    0.56124   6.70093     97.7433     14.0626     277.743     
1 1 1 21 14 11 o 33.7324 4.50181 2.40209      0.76608   2.54268      0.749972  46.3221     252.735     15.1903     252.735     
1 1 1 21 14 12 o 18.0869 4.87112 0.511878     0.623837  0.755925     0.646799  21.0365     233.414     7.7755      233.414     
1 1 1 21 14 13 o 49.7314 3.67003 4.75342      0.930909  5.42424      0.928551  47.7102     113.093     21.9643     293.093     
1 1 1 21 14 14 o 10.2006 3.4535  -0.211421    0.543635  -1.1828      0.515347  3.10956     3.12841     11.2501     183.128     
1 1 1 21 14 15 o 22.4028 5.09627 1.5718       0.726939  0.787545     0.654712  26.4972     230.442     4.49622     230.442     
1 1 1 21 14 16 o 11.2733 3.71605 -0.0474892   0.542297  -0.807198    0.555102  1.87218     103.518     18.6807     283.518     
1 1 1 21 14 17 o 17.9203 4.6521  -0.192774    0.614232  1.29157      0.684949  22.1027     235.545     11.4148     235.545     
1 1 1 21 14 18 o 11.3658 3.7669  -0.114696    0.572164  -0.70673     0.56089   4.33387     104.501     1.00062     104.501     
1 1 1 21 14 19 o 17.5155 4.82414 0.562088     0.659725  0.706025     0.608013  18.7061     298.359     1.60935     298.359     
1 1 1 21 14 20 o 31.6413 4.69698 1.37442      0.764356  3.50278      0.773893  32.4258     277.676     7.39532     97.676      
1 1 1 21 14 21 o 14.5734 4.34677 -0.422321    0.603436  0.70387      0.620514  14.967      39.0895     3.39937     39.0895     
1 1 1 21 14 22 o 24.8766 5.23261 2.08266      0.771337  1.19551      0.718666  27.1387     125.265     0.705866    305.265     
1 1 1 21 14 23 o 25.6335 5.5598  1.92203      0.78215   1.73165      0.846162  31.8302     119.771     7.76645     119.771     
1 1 1 21 14 24 o 12.5468 4.18169 -0.157334    0.742004  -0.435766    0.662551  10.1679     299.928     0.878263    119.928     
1 1 1 21 14 25 o 25.0784 5.69637 1.82782      0.979449  1.89931      0.745856  25.6318     208.33      3.37391     28.3302     
1 1 1 21 14 26 o 10.5906 3.60966 -0.159436    0.616385  -1.01681     0.56248   5.63394     251.162     3.31059     71.1623     
1 1 1 21 14 27 o 17.3758 4.79478 -0.140728    0.71898   1.39465      0.713152  16.7757     196.639     1.0379      16.6387     
1 1 1 21 14 28 o 21.652  4.70354 0.094606     0.750877  2.31731      0.733215  29.8288     188.617     18.0058     188.617     
1 1 1 21 14 29 o 15.2498 4.71893 0.343317     0.719005  0.593757     0.707145  14.101      271.731     0.170095    271.731     
1 1 1 21 14 30 o 17.3568 4.74369 -0.62077     0.778154  1.69421      0.749572  16.6399     140.628     1.33945     320.628     
1 1 1 21 14 31 o 21.543  5.47638 1.88123      0.811587  1.2844       0.766158  22.3523     261.247     0.400334    261.247     
1 1 1 21 14 32 o 11.1736 3.7802  -1.09356     0.652101  0.127118     0.634693  5.73284     7.94637     3.00834     187.946     
1 1 1 21 14 33 f 12.3804 4.10243 0.233217     0.663553  -0.378664    0.681221  12.9524     277.442     0           0           
1 1 1 21 14 34 o 15.1537 4.6953  0.935356     0.750999  0.180292     0.678893  6.47007     224.007     3.24637     224.007     
1 1 1 21 14 35 o 13.1021 4.32663 0.522332     0.723844  -0.548037    0.797666  9.12605     222.668     0.556909    42.6683     
1 1 1 21 14 36 o 16.5669 5.15371 1.13731      0.864892  0.862372     0.852163  13.6463     340.971     7.58425     340.971     
1 1 1 21 14 37 o 15.9909 5.09645 1.63441      1.02305   0.275423     0.733549  12.2118     227.257     6.95415     227.257     
1 1 1 21 14 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 15 0  o 11.037  4.85122 0.225649     0.558136  0.225649     0.558136  5.01061     90          13.1568     270         
1 1 1 21 15 1  o 29.1721 4.72824 1.66069      0.694768  2.12191      0.708498  38.5905     180.439     11.2347     180.439     
1 1 1 21 15 2  o 16.1032 4.41443 0.842403     0.595355  -0.172117    0.556343  12.7098     171.436     7.87155     351.436     
1 1 1 21 15 3  o 36.5938 4.23901 2.78901      0.774786  2.90245      0.777563  47.552      162.785     10.1793     162.785     
1 1 1 21 15 4  o 24.9723 4.60404 0.561601     0.659401  2.22574      0.687345  27.0444     95.5959     2.03752     275.596     
1 1 1 21 15 5  o 17.4638 4.54997 1.00587      0.606734  0.0334941    0.573941  15.5778     56.9563     5.45735     236.956     
1 1 1 21 15 6  o 15.4636 4.34059 0.75579      0.578072  -0.291417    0.569889  14.4725     106.359     0.725817    286.359     
1 1 1 21 15 7  o 16.9804 4.30813 1.16683      0.598895  -0.819722    0.666913  12.9269     264.705     10.3098     84.7053     
1 1 1 21 15 8  o 23.0275 5.21694 1.15644      0.673486  1.30542      0.735766  18.5593     309.998     14.4599     129.998     
1 1 1 21 15 9  o 17.7296 4.86399 0.758606     0.613924  0.365466     0.694923  20.4596     80.254      9.57574     80.254      
1 1 1 21 15 10 o 30.876  4.90577 1.72329      0.767256  2.65038      0.777788  36.6319     14.2679     2.81055     14.2679     
1 1 1 21 15 11 o 18.7318 4.85575 1.09827      0.649189  0.285468     0.658212  15.4796     253.285     9.46127     73.2847     
1 1 1 21 15 12 o 18.5612 4.95583 0.658445     0.655251  0.78566      0.650065  13.6902     237.008     12.8446     57.0084     
1 1 1 21 15 13 o 16.6958 4.6044  0.935584     0.632734  -0.112441    0.624052  18.9811     203.234     8.04731     203.234     
1 1 1 21 15 14 o 9.5748  3.2922  -1.04275     0.55883   -0.538846    0.494785  3.84549     132.141     6.04423     312.141     
1 1 1 21 15 15 o 19.7561 4.92685 0.410456     0.699561  1.28211      0.6509    17.4794     55.3781     7.98627     235.378     
1 1 1 21 15 16 o 28.5225 5.71998 2.53787      1.00507   1.73173      0.766994  26.6893     219.556     11.0832     39.5558     
1 1 1 21 15 17 o 17.2769 4.77087 1.34159      0.777526  -0.375367    0.612244  20.46       305.101     7.91499     305.101     
1 1 1 21 15 18 o 10.9413 3.70989 -1.14272     0.735292  -0.292732    0.526447  6.03261     316.697     7.60332     136.697     
1 1 1 21 15 19 o 22.6753 4.84844 0.0782432    0.874704  2.15559      0.717052  16.2284     122.72      18.1435     302.72      
1 1 1 21 15 20 o 17.9804 4.85484 1.09341      0.661847  0.367642     0.651298  22.7401     298.143     12.8205     298.143     
1 1 1 21 15 21 o 32.2002 4.87867 2.49044      0.804265  2.65222      0.775443  44.7813     188.58      17.6768     188.58      
1 1 1 21 15 22 o 18.9528 4.57628 -0.113965    0.661095  1.60832      0.658511  16.6023     193.861     7.34199     13.8609     
1 1 1 21 15 23 o 12.7169 4.10638 0.289679     0.640803  -0.473269    0.58728   9.72439     148.748     3.05614     328.748     
1 1 1 21 15 24 o 23.6787 5.37017 2.85657      0.939964  0.423066     0.823075  30.6822     230.87      12.1265     230.87      
1 1 1 21 15 25 o 17.4845 5.10036 0.628791     0.846008  0.911921     0.689281  19.1631     185.657     9.24505     185.657     
1 1 1 21 15 26 o 11.3781 3.79726 -0.10392     0.593976  -0.446954    0.58003   6.7994      333.518     1.03263     153.518     
1 1 1 21 15 27 o 13.0667 4.10492 -1.20246     0.638318  0.755351     0.643183  3.8829      160.86      18.3661     340.86      
1 1 1 21 15 28 o 11.5712 3.87782 -0.13437     0.605141  -0.397251    0.646204  4.45416     100.843     1.04571     100.843     
1 1 1 21 15 29 o 12.8194 4.19298 0.00425142   0.672278  0.0752127    0.64246   9.69643     230.97      1.80148     50.9697     
1 1 1 21 15 30 o 14.767  4.40507 -0.467383    0.684529  1.0305       0.641208  11.7939     275.205     5.23744     275.205     
1 1 1 21 15 31 o 13.3251 4.26392 0.747748     0.694835  -0.588699    0.637746  9.12271     246.805     3.91102     66.8046     
1 1 1 21 15 32 o 13.5251 4.36226 0.702058     0.735327  -0.324358    0.643688  3.41403     195.321     1.13422     195.321     
1 1 1 21 15 33 o 12.402  4.12411 0.0980036    0.697104  -0.157455    0.660312  7.28172     230.31      4.74906     50.3103     
1 1 1 21 15 34 o 13.9004 4.449   -0.0923601   0.70274   0.722726     0.710716  10.8389     210.648     0.697949    30.648      
1 1 1 21 15 35 o 13.8972 4.44562 0.854832     0.718802  -0.210161    0.713734  9.94442     257.124     4.92694     77.1236     
1 1 1 21 15 36 o 12.1138 4.03378 -0.419801    0.656497  0.33024      0.669926  5.13439     106.856     1.68875     106.856     
1 1 1 21 15 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 16 0  o 9.99913 4.55991 0.0807469    0.548048  0.0807469    0.548048  4.86433     90          8.12713     270         
1 1 1 21 16 1  o 14.35   4.28399 0.10141      0.552124  0.290372     0.545602  12.9389     243.069     3.80235     243.069     
1 1 1 21 16 2  o 23.1497 5.01631 1.27778      0.65895   1.20902      0.659036  21.177      222.063     9.22793     42.0632     
1 1 1 21 16 3  o 17.583  4.51734 0.0803733    0.585102  1.01975      0.580605  17.6623     59.1394     1.063       239.139     
1 1 1 21 16 4  o 24.8285 4.86963 1.28117      0.654598  1.56434      0.648573  29.5672     173.872     4.17025     173.872     
1 1 1 21 16 5  o 27.3397 4.90971 1.74805      0.689302  1.7059       0.704948  39.3217     159.943     18.6847     159.943     
1 1 1 21 16 6  o 17.5245 4.6954  0.706911     0.592306  0.515008     0.583986  16.7429     182.622     2.97536     2.62236     
1 1 1 21 16 7  f 12.9999 4.01978 -0.527088    0.538028  0.367048     0.554915  13.5614     190.17      0           0           
1 1 1 21 16 8  o 14.3731 4.33812 0.0691462    0.588412  0.294599     0.561235  11.3876     44.8171     5.55099     224.817     
1 1 1 21 16 9  o 22.7108 4.76361 1.73655      0.656059  0.652157     0.636181  32.0004     122.006     16.6308     122.006     
1 1 1 21 16 10 o 13.9614 4.21739 -0.150523    0.54758   0.410385     0.563808  12.5178     161.444     4.5799      161.444     
1 1 1 21 16 11 o 13.746  4.13686 -0.789278    0.51774   0.698991     0.63243   1.81748     221.363     1.02946     221.363     
1 1 1 21 16 12 o 16.0129 4.52179 0.78749      0.615213  0.0358203    0.569331  16.5179     217.242     1.48532     217.242     
1 1 1 21 16 13 o 12.9828 4.09085 -0.10141     0.56786   0.0937644    0.550915  11.2613     224.133     0.556147    224.133     
1 1 1 21 16 14 o 24.5735 5.00845 1.78146      0.696984  1.20277      0.667558  28.3261     173.02      2.48381     173.02      
1 1 1 21 16 15 o 14.5768 4.42188 0.328232     0.62306   0.167708     0.57415   14.9026     91.6256     4.80744     91.6256     
1 1 1 21 16 16 o 38.6356 4.59516 4.0925       0.905573  2.9149       0.858096  53.558      138.858     19.1791     138.858     
1 1 1 21 16 17 f 19.5848 5.04224 0.959888     0.669628  0.974052     0.657175  13.1764     272.919     0           0           
1 1 1 21 16 18 o 23.4801 4.94478 0.890249     0.70175   1.94888      0.685773  29.9049     110.994     9.23541     110.994     
1 1 1 21 16 19 o 14.2174 4.44242 -0.0606359   0.639933  0.387646     0.660101  11.8399     223.285     3.99847     43.2849     
1 1 1 21 16 20 o 13.8426 4.38943 -0.0667668   0.5961    0.315655     0.704448  12.4536     202.401     0.290671    202.401     
1 1 1 21 16 21 o 12.6261 4.12148 -0.372823    0.583897  0.163671     0.674658  8.14721     344.575     7.13991     164.575     
1 1 1 21 16 22 o 15.5416 4.53188 -0.572677    0.601995  1.2111       0.730716  14.2773     200.632     7.37293     200.632     
1 1 1 21 16 23 o 22.929  5.32872 1.86806      0.747793  1.2201       0.758289  26.602      133.389     5.27743     133.389     
1 1 1 21 16 24 o 16.0037 4.91286 0.328996     0.817981  0.724603     0.724455  15.8393     49.3878     6.84319     49.3878     
1 1 1 21 16 25 o 14.599  4.62235 0.0900516    0.838865  0.451369     0.643649  9.86589     154.945     8.70302     334.945     
1 1 1 21 16 26 o 15.9486 4.64716 1.17878      0.708968  -0.0524355   0.618188  15.6192     133.167     8.25355     133.167     
1 1 1 21 16 27 o 10.5678 3.60718 -0.327188    0.58998   -0.635872    0.603824  4.20815     234.372     0.307497    54.3723     
1 1 1 21 16 28 o 17.9053 5.05391 1.40527      0.736301  0.523177     0.758155  17.4969     252.864     0.271246    252.864     
1 1 1 21 16 29 o 15.2152 4.68458 0.145065     0.68049   0.91466      0.732674  13.4843     300.707     2.32        300.707     
1 1 1 21 16 30 o 20.1573 4.65444 2.47364      0.780977  -0.321945    0.716515  21.6471     162.153     3.79574     162.153     
1 1 1 21 16 31 o 10.6211 3.64958 -0.523647    0.659698  -0.486643    0.610228  3.8522      154.087     3.05723     334.087     
1 1 1 21 16 32 o 15.3717 4.68106 -0.586032    0.784366  1.35676      0.765989  13.0465     314.807     0.900556    134.807     
1 1 1 21 16 33 o 11.4243 3.8791  -0.654106    0.693438  0.0417948    0.661516  6.39829     341.709     2.61906     161.709     
1 1 1 21 16 34 o 14.3089 4.59593 0.69216      0.761949  0.271766     0.72698   12.3753     54.2633     2.34999     54.2633     
1 1 1 21 16 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 17 0  o 11.3662 4.94677 0.291772     0.566608  0.291772     0.566608  4.76265     90          16.1034     270         
1 1 1 21 17 1  o 24.3531 4.77413 1.99127      0.674485  0.809214     0.661693  28.9769     318.57      4.27919     318.57      
1 1 1 21 17 2  o 27.57   4.6906  2.52997      0.712803  1.07334      0.678452  37.9152     356.828     14.7692     356.828     
1 1 1 21 17 3  o 14.7858 4.36201 0.258149     0.556546  0.318458     0.556394  12.0908     217.229     5.49741     37.2293     
1 1 1 21 17 4  o 24.6532 4.50119 2.21048      0.647425  0.607113     0.65561   30.97       73.8117     7.63468     73.8117     
1 1 1 21 17 5  o 29.3718 4.50843 3.16139      0.724737  0.953885     0.699958  31.5268     286.734     3.5989      106.734     
1 1 1 21 17 6  o 27.8291 4.87756 1.98454      0.718013  1.68984      0.683839  34.9974     67.8665     7.91539     67.8665     
1 1 1 21 17 7  o 11.855  3.79477 0.193602     0.536339  -0.604748    0.505218  8.66409     48.0097     0.849835    48.0097     
1 1 1 21 17 8  o 16.4852 4.73926 0.621475     0.587258  0.297924     0.712181  18.7635     151.334     8.19749     151.334     
1 1 1 21 17 9  o 16.1202 4.6934  0.178543     0.577996  0.711378     0.695627  13.3453     358.915     6.65691     178.915     
1 1 1 21 17 10 o 10.4255 3.52351 -0.570556    0.473799  -0.391246    0.582106  4.32931     37.5035     10.3285     217.504     
1 1 1 21 17 11 o 14.0734 4.39499 0.0192368    0.567938  0.241181     0.684602  11.9246     8.34993     3.46864     188.35      
1 1 1 21 17 12 o 8.89914 3.14234 -1.28763     0.425006  -0.573937    0.60303   3.41091     23.9122     5.30916     203.912     
1 1 1 21 17 13 o 12.155  3.96694 -0.543639    0.497446  0.196632     0.656674  9.96996     83.1992     1.1678      83.1992     
1 1 1 21 17 14 o 19.277  4.90384 0.163682     0.658433  1.56402      0.73172   12.95       162.906     16.1021     342.906     
1 1 1 21 17 15 o 14.208  4.42491 0.143396     0.598362  0.239108     0.666771  13.3134     196.296     0.064337    16.2957     
1 1 1 21 17 16 o 29.8775 5.05708 3.32731      0.821706  1.39797      0.840701  43.5092     154.526     21.8007     154.526     
1 1 1 21 17 17 o 19.1721 4.589   1.74691      0.684058  -0.465669    0.752628  20.8129     156.419     1.72609     156.419     
1 1 1 21 17 18 o 10.6954 3.6416  -0.426902    0.5328    -0.681207    0.664563  2.05783     138.321     16.1553     318.321     
1 1 1 21 17 19 o 12.5238 3.85744 0.723096     0.587054  -1.46433     0.541507  8.94997     38.026      4.24545     218.026     
1 1 1 21 17 20 o 17.4112 4.82326 1.11935      0.667449  0.357074     0.656248  18.9658     186.76      5.31438     186.76      
1 1 1 21 17 21 o 11.1658 3.71777 -0.734598    0.588894  0.0203876    0.555856  5.94479     319.582     0.661389    139.582     
1 1 1 21 17 22 o 16.5915 4.77676 0.975829     0.684996  0.399278     0.626354  17.6836     42.5629     7.98502     42.5629     
1 1 1 21 17 23 o 16.6523 4.84543 0.84448      0.7003    0.601541     0.647259  15.5702     240.758     1.25399     60.7576     
1 1 1 21 17 24 o 12.6768 4.21391 0.592415     0.78577   -1.14879     0.653992  8.26028     42.6565     2.33759     42.6565     
1 1 1 21 17 25 o 16.1444 4.88948 0.276942     0.89805   0.89889      0.668659  14.9422     227.375     0.627646    47.3746     
1 1 1 21 17 26 o 13.4225 4.26323 -0.293777    0.654983  0.578203     0.637288  10.2478     324.368     1.92812     324.368     
1 1 1 21 17 27 o 24.976  5.40128 1.65793      0.774243  2.36707      0.787341  28.9723     276.063     6.42268     276.063     
1 1 1 21 17 28 o 17.751  5.00761 1.22708      0.728127  0.781277     0.667362  17.6083     323.216     3.14639     323.216     
1 1 1 21 17 29 o 22.4357 5.11161 0.925195     0.760892  2.31594      0.751126  28.6163     223.594     15.3771     223.594     
1 1 1 21 17 30 o 15.0065 4.66267 0.684448     0.725595  0.459182     0.672658  10.8001     245.081     4.57286     245.081     
1 1 1 21 17 31 o 12.1473 4.01846 -0.282768    0.675208  0.215022     0.611263  2.57715     246.774     0.670886    246.774     
1 1 1 21 17 32 o 10.8233 3.68765 -0.642124    0.651893  -0.0851322   0.597612  4.89939     196.447     0.761345    16.4471     
1 1 1 21 17 33 o 10.8532 3.71371 -0.20367     0.648564  -0.523665    0.631277  5.11169     115.61      7.65201     295.61      
1 1 1 21 17 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 18 0  o 16.0272 5.8284  0.842806     0.61757   0.842806     0.61757   15.9695     90          5.11963     270         
1 1 1 21 18 1  o 14.5808 3.97608 0.927902     0.547238  -0.703888    0.502374  15.2757     250.856     6.99873     250.856     
1 1 1 21 18 2  o 18.4629 4.69441 1.12235      0.605081  0.388982     0.602488  19.8093     231.507     1.09492     231.508     
1 1 1 21 18 3  o 24.8177 4.87198 1.92605      0.685235  1.12038      0.64631   34.378      341.125     15.3863     341.125     
1 1 1 21 18 4  o 12.9832 4.09249 0.311189     0.53568   -0.669624    0.68285   11.3537     161.662     0.163408    341.662     
1 1 1 21 18 5  o 15.0373 4.53144 0.364571     0.567425  0.232313     0.684207  11.4414     260.754     7.85412     80.7538     
1 1 1 21 18 6  o 16.1749 4.70173 0.152204     0.562778  0.825115     0.715623  13.3359     84.4497     6.83006     264.45      
1 1 1 21 18 7  o 13.8205 4.40095 -0.351299    0.652688  0.334148     0.696423  11.6151     154.161     3.36016     334.161     
1 1 1 21 18 8  o 13.434  4.27203 -0.299176    0.622564  0.278474     0.643419  12.1281     108.61      4.53657     108.61      
1 1 1 21 18 9  o 17.9108 4.92801 1.26459      0.727026  0.0286069    0.71462   21.6407     352.383     8.2716      352.383     
1 1 1 21 18 10 o 23.7965 4.8999  0.252652     0.756437  2.60684      0.814767  22.2106     54.1024     8.0654      234.102     
1 1 1 21 18 11 o 12.7895 4.11365 0.0721691    0.643945  -0.134604    0.544656  0.613225    118.525     25.518      298.525     
1 1 1 21 18 12 o 15.3312 4.48489 -0.0334104   0.666116  0.70245      0.575982  16.1366     30.7945     7.48325     30.7945     
1 1 1 21 18 13 o 18.8379 5.04128 0.935193     0.729848  0.890426     0.624112  20.5064     226.412     2.63346     226.412     
1 1 1 21 18 14 o 15.2112 4.58195 0.617189     0.680395  0.172247     0.594133  15.2973     320.19      3.56313     320.19      
1 1 1 21 18 15 o 13.1455 4.14873 0.512492     0.637326  -0.503924    0.560429  5.84296     167.98      14.3867     347.98      
1 1 1 21 18 16 o 25.363  5.31962 1.58655      0.841847  2.0507       0.709604  32.0393     297.839     10.3726     297.839     
1 1 1 21 18 17 f 16.2408 4.87511 0.81531      0.757237  0.335168     0.677257  20.9623     239.9       0           0           
1 1 1 21 18 18 o 13.2565 4.32325 -0.326458    0.691329  0.249893     0.705481  9.83613     330.398     2.30594     330.398     
1 1 1 21 18 19 o 21.7085 5.6325  1.49974      0.834125  1.5405       0.826438  27.9636     340.045     14.2931     340.045     
1 1 1 21 18 20 o 25.8266 5.08955 3.11217      0.8486    0.860363     0.806051  30.2139     166.293     5.35873     166.293     
1 1 1 21 18 21 o 12.348  4.02015 -0.658665    0.607102  0.381233     0.629402  4.80918     123.728     1.73625     123.728     
1 1 1 21 18 22 o 13.6534 4.34859 -0.0965619   0.61566   0.503983     0.689067  11.1824     157.618     1.69338     337.618     
1 1 1 21 18 23 o 13.6854 4.39574 0.184381     0.68464   0.252642     0.673973  8.01911     204.112     9.90376     24.1123     
1 1 1 21 18 24 o 13.0219 4.22648 -1.22153     0.807346  0.621565     0.672252  6.38662     353.931     2.02436     353.931     
1 1 1 21 18 25 f 10.8655 3.72393 -0.684528    0.770603  -0.317763    0.541013  8.54831     223.873     0           0           
1 1 1 21 18 26 o 11.9006 3.93452 -0.483396    0.637155  0.207076     0.601569  2.02536     261.464     0.0888761   261.464     
1 1 1 21 18 27 o 14.8506 4.53067 0.877387     0.684896  0.124863     0.611125  8.83344     130.882     3.86312     130.882     
1 1 1 21 18 28 o 14.5808 4.49232 1.06252      0.723728  -0.195171    0.607927  11.99       153.682     0.426429    153.682     
1 1 1 21 18 29 o 16.9632 4.81227 1.67923      0.764985  0.0177891    0.663773  14.1719     4.30105     8.53602     4.30105     
1 1 1 21 18 30 o 12.516  4.10628 -0.315038    0.659708  0.427636     0.646684  8.74815     331.859     1.12246     151.859     
1 1 1 21 18 31 o 10.3768 3.56286 -0.0699878   0.625111  -0.842474    0.570009  5.19897     157.233     2.7056      337.233     
1 1 1 21 18 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 19 0  o 7.96983 3.85508 -0.208117    0.502871  -0.208117    0.502871  0.193596    270         0.228502    89.9996     
1 1 1 21 19 1  o 17.0762 4.62659 0.801797     0.586752  0.521072     0.567056  20.4316     57.9572     9.51829     57.9572     
1 1 1 21 19 2  o 20.8125 5.26615 0.931163     0.648621  1.40969      0.792123  19.2497     283.848     6.07792     103.848     
1 1 1 21 19 3  o 12.7681 4.05812 -0.458073    0.481559  0.437317     0.648208  10.9779     145.173     1.70388     145.173     
1 1 1 21 19 4  o 18.8051 5.11873 0.678446     0.704526  1.09055      0.718345  22.2749     281.327     7.27669     281.327     
1 1 1 21 19 5  o 15.5913 4.70261 0.0916632    0.671754  0.668789     0.693703  16.5608     167         6.08302     167         
1 1 1 21 19 6  f 13.2287 4.06316 0.71625      0.63505   -0.669053    0.475644  9.03224     213.874     0           0           
1 1 1 21 19 7  o 15.3111 4.46057 0.0705125    0.642893  0.676899     0.561302  11.6631     166.7       7.60552     346.7       
1 1 1 21 19 8  o 13.4434 4.25544 0.282401     0.664764  -0.0764526   0.550378  9.27562     230.873     7.2461      50.8733     
1 1 1 21 19 9  o 14.0205 4.17493 -0.116214    0.551144  0.578476     0.538174  10.4621     73.7639     6.26694     253.764     
1 1 1 21 19 10 o 18.2015 4.80391 1.0181       0.620805  0.655957     0.610347  20.5251     176.173     5.41816     176.173     
1 1 1 21 19 11 o 16.1635 3.93783 -0.87557     0.556904  1.33519      0.559605  14.7228     262.021     3.00112     82.0213     
1 1 1 21 19 12 o 21.4279 4.88936 0.930668     0.651174  1.54387      0.630261  28.6329     313.483     15.8098     313.483     
1 1 1 21 19 13 o 17.4888 4.74805 0.931205     0.617385  0.620437     0.600673  19.2795     157.841     10.4229     157.841     
1 1 1 21 19 14 o 13.8764 4.28369 0.224018     0.594146  0.294158     0.570945  11.5187     336.286     3.34859     336.286     
1 1 1 21 19 15 o 18.0794 4.59151 0.0028309    0.638612  1.49636      0.648125  15.1259     148.815     6.9487      328.815     
1 1 1 21 19 16 o 16.7951 4.38986 -0.219122    0.593715  1.34151      0.616232  15.6267     136.02      2.04908     316.02      
1 1 1 21 19 17 o 13.2803 4.24795 0.166643     0.665523  0.106405     0.585386  10.3701     73.0794     2.6321      73.0794     
1 1 1 21 19 18 o 15.2763 4.50612 0.864732     0.637542  0.12105      0.589735  13.5504     183.995     1.74135     3.99536     
1 1 1 21 19 19 o 9.18158 3.17986 -0.666394    0.526251  -0.655962    0.492696  1.55683     309.444     0.842325    129.444     
1 1 1 21 19 20 o 11.4541 3.78354 0.0486961    0.587968  -0.294997    0.519143  5.88903     313.213     0.326844    313.213     
1 1 1 21 19 21 o 14.0825 4.44534 0.566077     0.712252  0.108296     0.606889  10.1976     313.887     3.69658     313.887     
1 1 1 21 19 22 f 11.4172 3.81838 -0.133867    0.632153  -0.250198    0.558358  9.66726     14.8916     0           0           
1 1 1 21 19 23 f 14.1119 4.41213 0.179761     0.682231  0.520905     0.611151  5.17993     322.538     0           0           
1 1 1 21 19 24 o 11.4856 3.86992 -0.713367    0.610486  0.132324     0.667127  4.3373      141.452     1.17245     321.452     
1 1 1 21 19 25 o 13.0705 4.37976 0.620484     0.89462   -0.518359    0.625918  8.07833     163.277     0.253827    163.277     
1 1 1 21 19 26 o 13.9284 4.42579 0.22082      0.644256  0.503352     0.689978  10.6259     249.144     1.03879     69.1444     
1 1 1 21 19 27 o 8.91387 3.13477 -1.16201     0.526108  -0.579501    0.580028  1.55461     242.545     2.60392     62.5449     
1 1 1 21 19 28 o 13.5533 4.29685 0.0778542    0.656789  0.57364      0.620086  9.31209     153.237     3.36253     153.237     
1 1 1 21 19 29 o 16.8578 4.84887 1.39495      0.721891  0.449932     0.661214  16.2227     276.359     9.69963     276.359     
1 1 1 21 19 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 20 0  o 13.4612 5.65657 0.613206     0.688664  0.613206     0.688664  10.3591     90          8.78684     270         
1 1 1 21 20 1  o 9.54491 3.29428 -0.591848    0.497052  -0.810007    0.572748  3.36923     33.0548     3.27037     213.055     
1 1 1 21 20 2  o 19.2008 5.0611  0.444551     0.702845  1.49362      0.736466  22.4901     96.5965     7.82563     96.5965     
1 1 1 21 20 3  o 15.6031 4.60875 0.486045     0.688164  0.50428      0.562185  12.8705     348.686     4.64217     168.686     
1 1 1 21 20 4  o 16.9622 4.67117 0.340404     0.685396  0.942566     0.574175  14.5944     221.09      4.85038     41.0895     
1 1 1 21 20 5  o 14.0206 4.23144 0.479271     0.556324  0.0955302    0.544628  10.336      20.4989     5.66339     200.499     
1 1 1 21 20 6  o 11.1289 3.58918 -0.824461    0.504186  0.265866     0.490744  6.21842     275.571     4.70856     95.5707     
1 1 1 21 20 7  o 17.7018 4.61576 0.245749     0.625069  1.22361      0.604143  14.9522     165.964     6.19959     345.965     
1 1 1 21 20 8  o 12.3632 3.92363 0.198696     0.537899  -0.104733    0.512101  8.83312     237.861     1.66468     57.8608     
1 1 1 21 20 9  o 11.8806 3.80931 0.285968     0.537713  -0.454529    0.510644  5.85985     343.376     9.83848     163.376     
1 1 1 21 20 10 f 9.89468 3.34509 -0.474792    0.507999  -0.327398    0.462772  5.57996     356.431     0           0           
1 1 1 21 20 11 o 16.5297 4.64008 0.752872     0.592808  0.611368     0.596219  13.9052     342.309     4.99496     162.309     
1 1 1 21 20 12 o 19.2348 4.80438 0.658043     0.624777  1.37         0.62654   20.2715     312.758     1.77547     312.758     
1 1 1 21 20 13 o 17.4211 4.56355 0.282018     0.600251  1.22088      0.59457   19.7199     165.035     7.32276     165.035     
1 1 1 21 20 14 o 22.5453 5.10506 1.63243      0.691861  1.3551       0.66097   24.0719     203.012     1.09619     203.012     
1 1 1 21 20 15 o 16.3299 4.16447 -0.490213    0.598976  1.33133      0.571361  17.9669     143.484     6.30679     143.484     
1 1 1 21 20 16 o 9.43169 3.232   -0.579784    0.517635  -0.438083    0.462669  2.93972     350.87      7.91173     170.87      
1 1 1 21 20 17 o 16.3528 4.5547  1.15169      0.629613  0.205283     0.577354  16.9836     203.658     6.47851     203.658     
1 1 1 21 20 18 o 9.0642  3.13631 -0.67802     0.520795  -0.561386    0.464828  1.95149     329.319     7.1733      149.319     
1 1 1 21 20 19 o 14.3546 4.38702 0.406949     0.627765  0.444049     0.570179  9.75649     313.192     6.67139     133.192     
1 1 1 21 20 20 o 15.4913 4.59844 0.563259     0.653006  0.668467     0.600726  13.3881     173.425     0.621915    173.425     
1 1 1 21 20 21 o 15.2745 4.47027 0.177163     0.619919  0.903635     0.597617  13.0131     356.852     2.16099     356.852     
1 1 1 21 20 22 o 10.5991 3.57376 -0.347234    0.56989   -0.239227    0.521735  3.99836     175.462     3.95232     355.462     
1 1 1 21 20 23 o 15.6985 4.60403 0.783014     0.645759  0.588656     0.582457  13.9465     157.613     5.34148     157.613     
1 1 1 21 20 24 o 11.903  3.95139 -0.105259    0.587845  0.0143287    0.64716   6.92401     262.791     3.82192     82.7914     
1 1 1 21 20 25 o 13.0136 4.28853 0.0319332    0.83851   0.235084     0.605009  7.01777     161.151     9.28134     341.151     
1 1 1 21 20 26 o 11.7557 3.93048 0.232259     0.687347  -0.3458      0.558008  5.91604     203.194     0.928639    203.194     
1 1 1 21 20 27 o 14.2164 4.45092 0.919138     0.712386  -0.0131584   0.608887  12.1568     333.82      4.64437     333.82      
1 1 1 21 20 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 21 0  o 8.25929 4.21617 -1.21796     0.924178  -1.21796     0.924178  0.39695     90.0001     0.800643    270         
1 1 1 21 21 1  o 19.0262 5.39448 1.34081      1.04406   0.922631     0.614654  21.9758     144.154     12.7621     144.154     
1 1 1 21 21 2  o 13.8018 4.28805 0.378304     0.647754  0.163489     0.530299  9.80655     278.547     6.15164     98.547      
1 1 1 21 21 3  o 16.6394 4.57016 0.711952     0.569603  0.6895       0.559727  18.0633     146.491     6.8638      146.491     
1 1 1 21 21 4  o 18.8411 4.72798 0.605583     0.580756  1.32615      0.622525  16.8959     13.6299     4.82671     193.63      
1 1 1 21 21 5  o 16.6371 4.40292 1.23243      0.59571   -0.0470147   0.580705  17.727      133.892     4.51795     133.892     
1 1 1 21 21 6  o 13.5603 4.00211 0.779301     0.546746  -0.448095    0.505928  8.65319     192.452     4.04252     192.452     
1 1 1 21 21 7  o 15.4519 4.46776 0.579186     0.575697  0.528567     0.560061  14.933      123.238     7.09783     123.238     
1 1 1 21 21 8  o 12.1912 3.87135 0.0517922    0.520046  0.106455     0.49947   8.85838     122.895     0.0429121   122.895     
1 1 1 21 21 9  o 17.5087 4.77518 0.861464     0.623957  0.835703     0.602579  15.3585     358.951     4.35652     178.951     
1 1 1 21 21 10 o 12.2005 3.84555 0.418441     0.531546  -0.33152     0.490128  8.67951     136.107     2.73028     316.107     
1 1 1 21 21 11 o 13.0162 3.97282 0.554562     0.52697   -0.157844    0.493247  4.17802     240.709     1.92133     240.709     
1 1 1 21 21 12 o 10.6373 3.47471 -0.81838     0.542114  0.183083     0.44469   4.43567     322.158     8.47967     142.157     
1 1 1 21 21 13 o 8.23725 2.87707 -0.867826    0.501382  -0.588734    0.392849  0.99677     177.229     5.24245     357.229     
1 1 1 21 21 14 o 14.6816 4.42133 0.270614     0.6728    0.605673     0.54709   12.6167     214.127     0.894571    214.127     
1 1 1 21 21 15 o 13.7224 4.25461 0.623844     0.640411  0.0255913    0.522192  6.46118     108.422     2.47959     108.422     
1 1 1 21 21 16 o 23.9697 5.3644  1.9315       0.824529  1.7613       0.678758  25.4489     101.497     1.97761     101.497     
1 1 1 21 21 17 o 13.6401 4.27511 -0.343739    0.670953  0.677542     0.619474  8.93013     14.3114     1.04751     14.3114     
1 1 1 21 21 18 o 24.9839 5.60146 2.78367      0.930382  1.50084      0.718055  27.4734     112.112     4.22655     112.112     
1 1 1 21 21 19 o 9.45668 3.28018 -0.316424    0.58674   -0.843011    0.461467  1.23591     148.236     1.67251     328.236     
1 1 1 21 21 20 o 18.443  4.94288 1.64542      0.746326  0.564257     0.594569  17.9383     337.227     11.1622     337.227     
1 1 1 21 21 21 o 12.9312 4.16164 0.294824     0.702571  0.14518      0.516527  9.01139     146.305     0.532304    326.305     
1 1 1 21 21 22 o 9.33507 3.21619 -0.588685    0.542415  -0.425855    0.464194  2.00552     230.626     1.85787     50.6262     
1 1 1 21 21 23 o 11.9269 3.86863 -0.225972    0.561486  0.314155     0.54796   7.38282     226.499     0.42026     226.499     
1 1 1 21 21 24 o 15.3332 4.63173 0.501895     0.638041  0.850118     0.671297  12.7913     229.134     6.83826     229.134     
1 1 1 21 21 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 22 0  f 15.3171 5.71153 0.868713     0.603773  0.868713     0.603773  12.0518     90          0           0           
1 1 1 21 22 1  o 22.3068 5.15771 1.90954      0.675964  1.13351      0.830642  25.4354     141.102     5.65093     141.102     
1 1 1 21 22 2  o 18.7964 5.16924 0.513356     0.763975  1.63321      0.781037  20.9853     171.648     7.04526     171.648     
1 1 1 21 22 3  o 14.7416 4.446   0.174496     0.697921  0.647774     0.558514  13.2439     86.773      3.61182     86.773      
1 1 1 21 22 4  o 14.4737 4.20623 0.778167     0.545263  0.0638775    0.518317  8.43696     173.961     4.37821     173.961     
1 1 1 21 22 5  o 14.144  4.12255 0.822077     0.550125  -0.112224    0.500316  10.784      202.754     4.02427     22.7535     
1 1 1 21 22 6  o 16.3095 4.54582 0.946054     0.587203  0.449069     0.569789  7.41404     153.637     4.77753     153.637     
1 1 1 21 22 7  o 14.2983 4.27922 0.180621     0.585447  0.611082     0.54083   11.7997     249.043     0.346957    69.0429     
1 1 1 21 22 8  o 15.1377 4.5261  0.426397     0.626581  0.640489     0.604204  11.8807     8.18648     3.80792     188.186     
1 1 1 21 22 9  o 12.8371 4.12753 -0.268665    0.737954  0.314349     0.532748  5.98762     222.669     11.0952     42.6686     
1 1 1 21 22 10 o 10.1932 3.37417 -0.659449    0.448718  0.12235      0.470605  3.33319     336.953     3.46077     156.953     
1 1 1 21 22 11 o 8.98336 3.08156 -0.408944    0.449577  -0.558376    0.446416  1.05524     292.448     2.96168     112.448     
1 1 1 21 22 12 o 14.637  4.26945 0.37725      0.559977  0.605845     0.505009  6.59964     75.1812     2.96731     75.1812     
1 1 1 21 22 13 o 20.5607 4.85854 0.95481      0.640918  1.5818       0.624625  19.6966     143.473     1.37284     323.473     
1 1 1 21 22 14 o 10.5079 3.37687 0.480359     0.48853   -1.00617     0.376812  2.99811     143.742     1.65289     323.742     
1 1 1 21 22 15 o 12.0373 3.82694 0.271431     0.531567  -0.0352574   0.466633  5.87029     147.329     0.077102    327.329     
1 1 1 21 22 16 o 12.4549 3.87921 0.0054919    0.520519  0.358794     0.475244  7.86194     238.075     3.23028     58.0755     
1 1 1 21 22 17 o 14.4105 4.26837 0.74252      0.568685  0.235714     0.520388  10.9714     223.206     3.39962     43.2057     
1 1 1 21 22 18 o 6.57624 2.3652  -0.732665    0.418079  -1.09111     0.302609  0.415832    116.545     2.95835     116.545     
1 1 1 21 22 19 o 11.7341 3.774   0.117767     0.520376  0.0809077    0.484266  7.23658     337.033     1.08053     157.033     
1 1 1 21 22 20 o 10.5658 3.49649 -0.378566    0.535345  0.0500919    0.448112  5.2971      197.2       2.07365     17.1997     
1 1 1 21 22 21 o 13.0432 4.03244 0.122133     0.554529  0.465014     0.503112  10.345      172.612     0.261909    352.613     
1 1 1 21 22 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 22 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 23 0  o 12.2538 5.10907 0.530348     0.553949  0.530348     0.553949  3.40113     270         0.535442    270         
1 1 1 21 23 1  o 10.1597 3.37919 -0.274212    0.455667  -0.134648    0.458256  1.58427     334.176     1.36159     154.176     
1 1 1 21 23 2  o 10.3253 3.42759 0.0576797    0.454684  -0.674215    0.524495  2.29015     9.85682     1.86557     189.857     
1 1 1 21 23 3  o 20.1008 4.93199 1.65534      0.645925  0.768892     0.736335  22.0574     72.6353     6.42775     72.6353     
1 1 1 21 23 4  o 11.614  3.72799 -0.742476    0.649867  0.307311     0.456204  2.8798      113.018     0.168376    293.018     
1 1 1 21 23 5  o 14.9897 4.59853 0.758079     0.769674  0.341518     0.543156  7.81333     317.379     3.50246     317.379     
1 1 1 21 23 6  o 19.4309 4.72868 0.503499     0.609433  1.70256      0.658225  21.8932     19.1267     8.81331     19.1267     
1 1 1 21 23 7  o 15.6336 4.01796 -0.282166    0.51722   1.19987      0.525733  10.5221     317.532     5.76373     317.532     
1 1 1 21 23 8  o 18.6469 4.64441 0.702565     0.589118  1.30208      0.575974  19.4061     25.1278     4.13781     25.1278     
1 1 1 21 23 9  o 13.3442 3.97472 -0.0183047   0.496452  0.610348     0.490064  8.15756     332.905     2.10933     332.905     
1 1 1 21 23 10 o 14.8245 4.28975 0.686442     0.535014  0.39442      0.522278  12.6714     14.5109     1.61856     14.5109     
1 1 1 21 23 11 o 14.0281 4.10672 0.670576     0.51163   0.191455     0.487319  11.2879     144.972     1.08011     144.972     
1 1 1 21 23 12 o 14.431  4.20452 0.375293     0.507482  0.629832     0.515836  11.3188     279.895     2.49747     99.8953     
1 1 1 21 23 13 o 23.5564 4.70926 1.35881      0.617937  1.90616      0.608696  28.2169     105.986     9.44602     105.986     
1 1 1 21 23 14 o 10.7965 3.43937 -0.404362    0.456082  0.285353     0.411858  5.4813      252.382     3.87164     72.3823     
1 1 1 21 23 15 o 16.6841 4.41613 1.11684      0.551945  0.497576     0.514857  17.6036     298.557     7.87199     298.557     
1 1 1 21 23 16 o 18.1125 4.60126 1.01755      0.570341  0.980422     0.530453  20.7567     141.725     11.2628     141.725     
1 1 1 21 23 17 o 8.51056 2.90166 0.137494     0.420916  -0.903286    0.292685  1.79133     269.801     7.44061     89.801      
1 1 1 21 23 18 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 23 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 24 0  o 11.4524 4.85684 0.450829     0.516665  0.450829     0.516665  7.01632     270         7.62084     90          
1 1 1 21 24 1  o 9.05968 3.072   -0.204273    0.429747  -0.466035    0.397745  1.83836     138.163     3.03643     318.163     
1 1 1 21 24 2  o 13.3883 4.14568 0.422291     0.552173  0.240416     0.548281  9.80381     193.37      1.5817      193.37      
1 1 1 21 24 3  o 13.376  4.09024 0.291736     0.496594  0.416365     0.543033  10.0182     29.3121     1.30271     29.3121     
1 1 1 21 24 4  o 13.1934 4.09949 0.436854     0.517071  0.13338      0.585909  9.09032     145.841     2.00549     145.841     
1 1 1 21 24 5  o 12.7722 4.07263 0.292636     0.598051  0.14037      0.540816  5.17486     144.277     1.73067     144.277     
1 1 1 21 24 6  o 11.6444 3.72914 -0.0680344   0.544953  0.197492     0.444057  1.41771     59.4453     0.325141    59.4453     
1 1 1 21 24 7  o 10.4142 3.30914 0.414962     0.434493  -0.704587    0.379272  4.81364     98.1168     2.62812     278.117     
1 1 1 21 24 8  o 22.6655 4.60703 1.775        0.594506  1.23563      0.561668  28.9369     182.033     14.013      182.033     
1 1 1 21 24 9  o 11.6362 3.38849 0.703781     0.430881  -0.724891    0.36994   6.78445     192.979     5.74266     12.9791     
1 1 1 21 24 10 o 14.2282 3.94805 0.0630404    0.473739  0.813854     0.458418  12.9051     21.7822     3.22506     21.7822     
1 1 1 21 24 11 o 7.45762 2.57527 -0.195473    0.35297   -0.550559    0.260583  0.476475    317.667     5.59007     137.667     
1 1 1 21 24 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 24 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 24 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 2  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 21 25 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 0  0  o 14.8542 6.49959 0.351583     0.990761  0.351583     0.990761  1.77853     180         5.117       360         
1 1 1 22 0  1  o 14.2221 5.71234 0.542254     0.653497  0.542254     0.653497  9.38002     270         0.00301933  90          
1 1 1 22 0  2  o 73.1648 3.14175 10.1216      1.18136   10.1216      1.18136   102.351     7.13392e-12 14.0898     7.13392e-12 
1 1 1 22 0  3  o 31.2544 5.47518 2.17424      0.767721  2.17424      0.767721  47.4654     90          13.5499     90          
1 1 1 22 0  4  o 16.4054 6.19493 0.782068     0.717801  0.782068     0.717801  12.8086     180         68.2793     180         
1 1 1 22 0  5  o 31.9991 5.49378 2.27136      0.78965   2.27136      0.78965   45.7334     90          8.22011     90          
1 1 1 22 0  6  o 10.7258 4.91197 0.0302364    0.644939  0.0302364    0.644939  2.9836      180         8.40764     8.65124e-06 
1 1 1 22 0  7  o 10.5925 4.88033 -0.00187214  0.650122  -0.00187214  0.650122  2.76444     90          11.5848     270         
1 1 1 22 0  8  o 27.447  6.01445 1.81599      0.749257  1.81599      0.749257  28.4501     360         14.3215     180         
1 1 1 22 0  9  o 59.8834 3.37178 6.87203      1.03092   6.87203      1.03092   65.9068     270         23.4097     90          
1 1 1 22 0  10 o 32.546  5.62255 2.36985      0.821636  2.36985      0.821636  58.3334     180         32.4448     180         
1 1 1 22 0  11 o 18.3248 6.3977  0.996509     0.728243  0.996509     0.728243  23.2523     90          0.699844    90          
1 1 1 22 0  12 o 68.1301 3.31902 8.86067      1.15915   8.86067      1.15915   79.9753     180         15.9187     8.65141e-06 
1 1 1 22 0  13 o 17.4992 6.31767 0.913665     0.72235   0.913665     0.72235   11.695      90          21.5563     270         
1 1 1 22 0  14 o 12.3458 5.61345 0.128468     0.822627  0.128468     0.822627  6.227       180         17.5864     360         
1 1 1 22 0  15 o 18.2937 6.83833 1.02436      0.867213  1.02436      0.867213  23.3445     90          0.720421    90          
1 1 1 22 0  16 o 36.7356 6.43687 3.103        1.06084   3.103        1.06084   54.8424     180         15.5527     180         
1 1 1 22 0  17 o 7.44671 3.75825 -0.887403    0.649582  -0.887403    0.649582  2.25274     270         17.1182     270         
1 1 1 22 0  18 o 47.3128 3.89173 4.44996      0.920793  4.44996      0.920793  78.0855     360         35.4766     360         
1 1 1 22 0  19 o 23.628  6.4628  1.52561      0.751513  1.52561      0.751513  31.4856     270         2.88906     270         
1 1 1 22 0  20 o 13.7483 5.74943 0.503186     0.705251  0.503186     0.705251  13.2709     3.28577e-07 5.87318     180         
1 1 1 22 0  21 o 16.9153 6.36011 0.895123     0.7538    0.895123     0.7538    15.5224     270         10.2704     270         
1 1 1 22 0  22 f 16.8017 6.61804 0.89173      0.855558  0.89173      0.855558  20.5759     360         0           0           
1 1 1 22 0  23 o 16.3751 6.44449 0.847862     0.810448  0.847862     0.810448  17.9755     270         10.734      270         
1 1 1 22 0  24 o 20.2412 6.82206 1.29594      0.818216  1.29594      0.818216  29.7512     360         21.5639     360         
1 1 1 22 0  25 o 13.5328 5.7238  0.499032     0.713854  0.499032     0.713854  14.957      270         2.79346     270         
1 1 1 22 0  26 o 16.8707 6.38528 0.933968     0.76414   0.933968     0.76414   16.9934     180         11.6018     180         
1 1 1 22 0  27 o 6.60237 3.40073 -1.38113     0.67762   -1.38113     0.67762   6.0239      270         25.5278     270         
1 1 1 22 0  28 o 11.0562 5.09954 0.109948     0.712617  0.109948     0.712617  8.49157     360         1.25135     360         
1 1 1 22 0  29 o 22.9662 6.72157 1.61524      0.795041  1.61524      0.795041  31.3984     270         6.2009      270         
1 1 1 22 0  30 o 34.4847 5.79686 2.87291      0.899361  2.87291      0.899361  48.5266     180         12.354      180         
1 1 1 22 0  31 o 6.87293 3.52406 -1.18005     0.682815  -1.18005     0.682815  9.04784     90          34.1255     90          
1 1 1 22 0  32 o 8.8185  4.33745 -0.390727    0.704392  -0.390727    0.704392  3.79524     180         1.31789     8.67326e-06 
1 1 1 22 0  33 o 18.5293 6.72756 1.29244      0.82198   1.29244      0.82198   6.96661     270         31.011      90          
1 1 1 22 0  34 o 10.7354 5.03975 0.118411     0.744999  0.118411     0.744999  5.46134     180         0.634367    180         
1 1 1 22 0  35 o 17.7497 6.94669 1.34533      0.935605  1.34533      0.935605  17.8515     270         6.69827     90          
1 1 1 22 0  36 o 11.2019 5.20833 0.250551     0.765727  0.250551     0.765727  6.15974     360         1.45078     360         
1 1 1 22 0  37 o 11.1983 5.22102 0.266446     0.777689  0.266446     0.777689  7.24858     270         1.68578     270         
1 1 1 22 0  38 o 21.0185 6.91678 1.72006      0.836913  1.72006      0.836913  33.4667     360         24.3032     360         
1 1 1 22 0  39 o 7.05481 3.60816 -0.975313    0.692823  -0.975313    0.692823  0.287107    270         5.60899     270         
1 1 1 22 0  40 o 6.21029 3.2202  -1.43746     0.677507  -1.43746     0.677507  4.9992      180         18.6441     180         
1 1 1 22 0  41 o 11.5126 5.53135 0.285846     0.998759  0.285846     0.998759  7.95167     90          6.47382     270         
1 1 1 22 0  42 o 11.679  5.80808 0.138852     1.36672   0.138852     1.36672   8.67103     360         0.160912    360         
1 1 1 22 0  43 o 15.6691 6.4261  1.2163       0.852668  1.2163       0.852668  20.1874     270         8.07248     270         
1 1 1 22 0  44 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 1  0  o 17.0986 6.13757 0.852722     0.679467  0.852722     0.679467  19.8327     180         1.57296     180         
1 1 1 22 1  1  o 16.1418 4.74459 -0.13294     0.669585  0.474747     0.674872  13.2592     321.314     1.46538     321.314     
1 1 1 22 1  2  o 39.5523 4.32164 2.66793      0.84716   3.66448      0.850133  59.4578     358.111     19.9906     358.111     
1 1 1 22 1  3  o 20.5529 5.22615 0.733589     0.71762   0.852043     0.70394   16.7539     129.448     14.0516     309.448     
1 1 1 22 1  4  o 17.6997 4.32768 1.30922      0.666978  -1.10534     0.641944  14.3339     189.089     7.24174     189.089     
1 1 1 22 1  5  o 21.0558 4.58164 -0.330641    0.686095  1.70313      0.696117  16.7273     298.764     16.3221     118.764     
1 1 1 22 1  6  f 26.352  4.77406 0.458432     0.729305  2.4284       0.756258  23.9804     159.983     0           0           
1 1 1 22 1  7  o 23.8537 5.2435  1.14765      0.719836  1.24601      0.71465   31.3707     76.1466     8.33022     76.1466     
1 1 1 22 1  8  o 19.5656 5.14839 0.311344     0.72438   0.980017     0.71814   0.0843187   240.348     47.1829     60.3485     
1 1 1 22 1  9  o 27.0632 4.84233 2.563        0.78151   0.542089     0.746766  24.8894     151.314     16.7617     331.315     
1 1 1 22 1  10 o 43.27   4.07666 2.86135      0.852502  4.76401      0.881791  60.2083     216.138     11.0852     216.138     
1 1 1 22 1  11 o 17.3541 4.91389 0.118273     0.672321  0.647108     0.695549  19.1719     338.162     4.15661     338.162     
1 1 1 22 1  12 o 28.7341 5.04518 2.76718      0.85463   0.860834     0.751618  30.852      150.932     9.05571     330.932     
1 1 1 22 1  13 o 21.1854 5.44361 1.09777      0.774475  0.622431     0.795541  26.3014     258.151     4.6055      258.151     
1 1 1 22 1  14 o 15.8794 4.86898 0.108268     0.714472  0.043898     0.768698  16.638      310.255     1.79516     310.255     
1 1 1 22 1  15 f 26.3906 5.68674 0.699679     0.915592  2.31727      0.933429  17.2813     269.372     0           0           
1 1 1 22 1  16 o 37.0697 5.02774 2.79858      0.947124  3.08851      0.913066  45.8326     106.136     0.694998    286.136     
1 1 1 22 1  17 o 18.1313 5.2293  0.438551     0.800533  0.480522     0.751541  15.1724     329.886     11.0484     149.886     
1 1 1 22 1  18 o 20.3874 4.99927 0.0981998    0.718177  1.4086       0.721638  27.7051     45.7182     18.1897     45.7182     
1 1 1 22 1  19 o 26.4876 5.46868 2.16659      0.863734  1.05229      0.789356  27.867      74.8598     8.11461     254.86      
1 1 1 22 1  20 o 15.19   4.76355 0.315894     0.784187  -0.447236    0.738719  6.7431      287.489     20.7321     107.489     
1 1 1 22 1  21 o 14.5612 4.61405 -0.0137892   0.733473  -0.144602    0.705253  13.0505     317.827     2.95581     137.827     
1 1 1 22 1  22 o 22.8712 5.50288 0.827138     0.84381   1.51254      0.774725  15.6769     251.479     23.1534     71.4794     
1 1 1 22 1  23 o 18.4278 5.26069 0.367337     0.737837  0.814709     0.821542  19.8517     65.9475     0.461722    245.947     
1 1 1 22 1  24 o 12.7774 4.2425  -0.511932    0.708858  -0.424704    0.719164  9.1258      6.96605     1.49238     6.96605     
1 1 1 22 1  25 o 18.065  5.23236 0.360254     0.747781  0.759075     0.81953   14.461      177.92      11.7946     357.92      
1 1 1 22 1  26 o 16.8025 4.99252 0.40128      0.741305  0.420672     0.73201   17.2921     143.968     1.20403     323.968     
1 1 1 22 1  27 o 15.4404 4.66479 -0.455692    0.710161  0.700023     0.709639  7.40221     160.272     19.9402     340.272     
1 1 1 22 1  28 o 16.7668 4.95747 0.125336     0.731535  0.749146     0.742361  19.8471     205.514     5.57951     205.514     
1 1 1 22 1  29 o 16.5431 4.61441 -1.00351     0.704531  1.29124      0.739337  19.987      159.215     6.0139      159.215     
1 1 1 22 1  30 o 24.5979 5.6415  1.89563      0.829419  1.44958      0.831552  20.8228     121.599     16.0347     301.599     
1 1 1 22 1  31 o 14.4507 4.57766 0.504804     0.739836  -0.32493     0.711284  16.0034     243.155     5.45537     243.155     
1 1 1 22 1  32 o 19.8701 5.07642 0.088502     0.759882  1.83159      0.791098  27.5613     63.0989     13.4483     63.0989     
1 1 1 22 1  33 o 15.1669 4.67267 -0.330209    0.721626  0.846733     0.741169  10.0784     335.287     6.36078     335.287     
1 1 1 22 1  34 o 9.7571  3.44356 -1.8175      0.713338  -0.873578    0.702112  4.41598     313.211     6.62917     133.211     
1 1 1 22 1  35 o 14.5304 4.72769 0.0285351    0.839176  0.370239     0.809006  14.2272     77.8722     2.49058     77.8722     
1 1 1 22 1  36 o 21.3102 5.73687 1.40767      0.868982  1.82437      0.895324  26.5748     347.461     7.99214     347.461     
1 1 1 22 1  37 o 12.0909 4.11459 0.311773     0.801121  -1.2316      0.72376   8.87315     111.395     1.95437     111.395     
1 1 1 22 1  38 o 20.3096 5.53647 1.56708      0.821432  1.49127      0.82762   26.5392     51.8545     13.6782     51.8545     
1 1 1 22 1  39 o 13.9225 4.52558 -0.536031    0.770095  0.864927     0.795712  9.41984     208.995     3.64069     208.995     
1 1 1 22 1  40 o 21.8433 5.72544 1.30783      0.935148  2.49875      0.911012  28.2147     90.0316     13.7676     90.0316     
1 1 1 22 1  41 o 20.8611 5.78273 0.430937     1.00119   3.31367      1.10673   25.5942     2.62781     10.0139     2.62781     
1 1 1 22 1  42 o 13.5424 4.66788 0.256616     0.983095  -0.161749    1.17123   10.342      126.072     3.95356     306.072     
1 1 1 22 1  43 o 11.0225 3.85834 -0.451142    0.824387  -0.918415    0.814916  6.58313     346.953     5.5687      166.953     
1 1 1 22 1  44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 2  0  o 20.6077 6.44429 1.19802      0.724187  1.19802      0.724187  6.15892     360         41.2916     180         
1 1 1 22 2  1  o 65.158  3.31913 7.58296      1.09318   8.81803      1.13122   67.1872     276.943     33.8126     96.9435     
1 1 1 22 2  2  o 37.827  4.39629 3.34754      0.835469  2.47687      0.818078  32.603      123.878     30.737      303.878     
1 1 1 22 2  3  o 29.7322 5.09659 1.76453      0.799847  1.96909      0.756818  29.5948     181.504     14.2664     1.50412     
1 1 1 22 2  4  o 17.8121 4.99771 0.584952     0.719462  0.297263     0.660616  18.2633     329.353     4.13318     329.353     
1 1 1 22 2  5  o 11.8515 3.91916 -1.14231     0.620254  -0.146707    0.621022  4.54964     53.0377     6.35093     233.038     
1 1 1 22 2  6  o 34.417  4.78401 1.90171      0.844997  3.0628       0.79104   45.1005     258.331     4.71822     258.331     
1 1 1 22 2  7  o 74.0428 3.23283 10.4563      1.24463   10.6963      1.22432   100.403     230.193     10.1135     230.193     
1 1 1 22 2  8  o 25.0163 5.29492 1.32915      0.756333  1.34512      0.724156  19.913      304.906     21.1179     124.906     
1 1 1 22 2  9  o 23.5729 5.11162 0.648231     0.724927  1.64514      0.723108  29.7288     261.296     4.66569     261.296     
1 1 1 22 2  10 o 29.0217 5.16022 1.52624      0.775636  2.10202      0.786281  23.7998     204.001     24.4239     24.0014     
1 1 1 22 2  11 o 25.3833 5.30299 2.06334      0.812403  0.644629     0.810036  40.1514     80.5166     25.0405     80.5166     
1 1 1 22 2  12 o 42.4639 4.37584 3.98472      0.905766  3.38228      0.951504  73.0236     158.265     40.2419     158.265     
1 1 1 22 2  13 o 23.4027 5.30504 0.419456     0.779548  1.7979       0.811874  21.3295     131.923     13.8413     311.923     
1 1 1 22 2  14 o 45.9822 4.31994 4.51008      0.98384   4.11965      1.01924   56.6738     166.385     2.96282     346.385     
1 1 1 22 2  15 o 17.5974 4.83207 1.00666      0.720023  -0.405704    0.699839  17.1709     66.3298     5.12212     246.33      
1 1 1 22 2  16 f 27.7684 5.84992 1.82461      0.923551  1.68645      0.886539  26.2471     20.3825     0           0           
1 1 1 22 2  17 o 36.814  5.60403 3.35086      1.12272   2.7296       0.954714  43.2959     218.328     4.73161     38.3281     
1 1 1 22 2  18 o 16.2121 5.02798 0.0568516    0.880756  0.0978807    0.738783  12.6939     110.088     10.4041     290.088     
1 1 1 22 2  19 o 18.8384 5.11711 1.21944      0.815196  -0.095712    0.698929  19.6745     298.342     2.96832     118.342     
1 1 1 22 2  20 o 17.1911 5.0572  0.594566     0.777767  0.138145     0.723705  11.5119     353.488     16.1312     173.488     
1 1 1 22 2  21 o 34.5569 4.91644 2.79497      0.871659  2.47914      0.829077  48.9972     327.409     13.8598     327.409     
1 1 1 22 2  22 o 24.6221 4.89386 0.353228     0.730622  2.3252       0.781701  22.85       311.142     13.2383     131.142     
1 1 1 22 2  23 o 20.2315 5.11732 0.183515     0.739817  1.42247      0.750752  16.3235     19.5038     14.3787     199.504     
1 1 1 22 2  24 o 17.8337 5.10052 0.69415      0.750353  0.397611     0.716602  19.7877     357.42      1.6769      357.42      
1 1 1 22 2  25 o 20.1419 5.23647 0.160324     0.740636  1.49359      0.816721  24.3478     4.07459     4.21561     4.0746      
1 1 1 22 2  26 o 13.919  4.42939 0.420427     0.723201  -1.00475     0.718888  8.45478     195.136     13.0021     15.1362     
1 1 1 22 2  27 o 18.9296 5.30543 0.630491     0.748433  0.912087     0.802761  21.375      81.3923     1.223       81.3923     
1 1 1 22 2  28 o 20.9623 4.92013 1.88259      0.763531  0.0303074    0.715562  19.1694     219.019     10.2521     39.0187     
1 1 1 22 2  29 o 25.4195 5.10165 2.57746      0.812951  0.721499     0.780313  41.9004     340.386     28.6273     340.386     
1 1 1 22 2  30 o 13.7708 4.48525 0.0895675    0.755808  -0.300558    0.729527  8.47365     232.428     12.8092     52.4276     
1 1 1 22 2  31 o 14.9106 4.6828  -0.286099    0.756801  0.589509     0.743385  16.5953     175.863     3.90528     175.863     
1 1 1 22 2  32 o 13.526  4.41361 -0.277037    0.736737  0.13268      0.717625  10.9582     13.8867     5.85973     193.887     
1 1 1 22 2  33 o 19.9652 5.3073  0.43593      0.807527  1.7635       0.818968  13.9825     121.571     17.2947     301.571     
1 1 1 22 2  34 f 12.2314 4.1414  -0.445356    0.760557  -0.331331    0.737046  4.26027     134.062     0           0           
1 1 1 22 2  35 o 21.9434 5.92876 1.43355      0.971273  2.01786      0.943359  29.3531     38.9571     13.2169     38.9571     
1 1 1 22 2  36 o 9.49108 3.36522 -1.40295     0.724664  -1.36772     0.704249  3.60281     150.497     1.52281     330.497     
1 1 1 22 2  37 o 12.5294 4.212   0.0531013    0.735883  -0.415149    0.767372  10.5703     327.326     0.23803     327.326     
1 1 1 22 2  38 o 12.1629 4.13409 -0.0995617   0.777279  -0.405625    0.744768  6.64682     272.502     1.71359     272.502     
1 1 1 22 2  39 o 13.9727 4.57166 0.962489     0.857721  -0.536659    0.733794  5.82371     92.8797     2.65212     92.8797     
1 1 1 22 2  40 o 11.3882 3.94042 -0.612624    0.811016  -0.471857    0.746923  3.63561     53.3548     0.03538     233.355     
1 1 1 22 2  41 o 24.2813 6.03678 1.48477      1.00728   3.74028      1.09057   29.6966     127.315     8.11591     127.315     
1 1 1 22 2  42 o 13.3271 4.51025 1.18333      0.953733  -1.34518     0.841734  2.78078     238.134     1.33653     238.134     
1 1 1 22 2  43 o 13.8688 4.61483 0.421298     0.808487  0.376181     0.901944  12.554      166.199     4.14561     166.199     
1 1 1 22 2  44 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 3  0  o 15.8007 6.33902 0.693253     0.80348   0.693253     0.80348   7.8525      180         3.07762     180         
1 1 1 22 3  1  o 22.5903 5.32498 1.34181      0.73083   0.680969     0.78009   27.1629     129.221     3.21913     129.221     
1 1 1 22 3  2  o 34.1993 5.16185 2.65453      0.861612  2.2827       0.913012  31.9403     261.033     21.9013     81.0327     
1 1 1 22 3  3  o 17.0737 4.92819 0.445073     0.682602  0.199244     0.704073  10.2477     223.133     17.6121     43.1332     
1 1 1 22 3  4  o 34.9827 4.87324 2.45235      0.854299  2.64685      0.849945  43.7858     22.9242     0.394724    22.9244     
1 1 1 22 3  5  o 22.7414 5.27068 0.639327     0.741411  1.44689      0.748586  22.9864     43.4323     7.48609     223.432     
1 1 1 22 3  6  o 26.6124 5.1817  2.25336      0.813769  0.767266     0.770788  37.9937     124.971     13.8031     124.971     
1 1 1 22 3  7  f 33.1028 5.07646 2.04897      0.853092  2.60575      0.841254  53.6518     205.953     0           0           
1 1 1 22 3  8  o 37.4491 4.79813 3.75167      0.906519  2.17649      0.869855  54.1057     225.878     14.9633     225.878     
1 1 1 22 3  9  f 24.8533 5.56403 0.569331     0.831476  2.01884      0.899491  38.9893     308.784     0           0           
1 1 1 22 3  10 o 19.9292 5.47303 0.695593     0.789537  0.647353     0.830934  15.5688     223.289     15.4137     43.2893     
1 1 1 22 3  11 f 36.8283 5.09326 1.9855       0.923403  3.88898      0.946028  52.0722     288.784     0           0           
1 1 1 22 3  12 o 40.7434 4.81668 3.29278      0.99824   3.64051      0.960185  51.8386     270.676     1.17225     270.676     
1 1 1 22 3  13 f 34.1119 5.19192 2.70676      0.852052  2.30157      0.930057  27.9233     306.477     0           0           
1 1 1 22 3  14 o 41.3677 4.47255 3.15968      0.932914  3.91644      0.91112   53.2197     248.483     2.4918      248.483     
1 1 1 22 3  15 o 35.7462 5.02267 2.57645      0.912493  2.90079      0.882009  50.1273     280.999     11.8625     280.999     
1 1 1 22 3  16 o 11.4701 3.88619 -1.03486     0.621469  -0.513822    0.693174  6.97982     234.607     2.68448     54.6065     
1 1 1 22 3  17 o 40.371  5.22877 3.25624      1.11076   3.8629       0.98084   58.2566     46.8246     16.4674     46.8246     
1 1 1 22 3  18 o 29.182  5.65878 1.50163      0.986271  2.39517      0.844077  41.7363     215.783     13.9566     215.783     
1 1 1 22 3  19 o 23.9699 5.56006 1.44132      0.863263  1.18664      0.732016  35.2063     320.72      16.8846     320.72      
1 1 1 22 3  20 o 26.8162 5.31912 1.55711      0.762671  1.73903      0.77712   23.3916     283.774     18.1893     103.774     
1 1 1 22 3  21 o 17.3522 4.96979 0.513334     0.699796  0.422319     0.690391  13.8513     308.962     8.9954      308.962     
1 1 1 22 3  22 o 15.5279 4.54975 0.796024     0.687455  -0.738598    0.671259  16.2223     219.741     6.54442     219.741     
1 1 1 22 3  23 o 25.0462 5.16083 0.779211     0.767679  2.1197       0.771878  25.941      67.5489     7.51942     247.549     
1 1 1 22 3  24 o 14.254  4.28097 0.783249     0.687596  -1.4266      0.629327  12.2962     308.244     4.43391     128.244     
1 1 1 22 3  25 o 18.6626 5.14198 0.984716     0.743183  0.37043      0.723603  19.3035     76.5782     2.80162     256.578     
1 1 1 22 3  26 o 15.3319 4.72139 -0.0844086   0.733627  0.397568     0.696633  14.8124     216.624     2.18147     36.6243     
1 1 1 22 3  27 o 28.8411 5.36739 1.23922      0.82488   3.00238      0.906127  40.2201     181.838     12.7872     181.838     
1 1 1 22 3  28 f 14.9893 4.70774 0.519303     0.759373  -0.463068    0.764384  4.77699     182.122     0           0           
1 1 1 22 3  29 o 12.6408 4.17589 0.0470773    0.703617  -0.744925    0.670489  8.5519      271.626     9.09072     91.6259     
1 1 1 22 3  30 o 11.7724 3.97228 -0.693873    0.659616  -0.309752    0.692003  9.35579     76.0846     3.63273     256.085     
1 1 1 22 3  31 o 11.8991 3.99564 -1.09364     0.700698  0.000473058  0.677662  8.92968     15.4526     3.32442     15.4526     
1 1 1 22 3  32 o 26.2507 5.71318 2.13448      0.868728  1.9341       0.838834  38.6978     282.632     18.7494     282.632     
1 1 1 22 3  33 o 13.0061 4.34148 -0.150659    0.792583  -0.273698    0.73638   9.9903      74.8975     3.70959     74.8975     
1 1 1 22 3  34 o 28.956  5.87918 3.23898      0.97389   2.10319      0.934795  30.3989     322.826     5.93602     142.826     
1 1 1 22 3  35 f 12.0422 4.10187 -0.844883    0.791477  -0.128771    0.748293  15.252      97.8959     0           0           
1 1 1 22 3  36 o 18.6728 5.46841 1.08243      0.878344  1.28849      0.857784  23.314      27.6718     13.0096     27.6718     
1 1 1 22 3  37 o 21.0099 5.15028 2.50365      0.846994  0.263897     0.812825  24.7975     115.041     4.28455     115.041     
1 1 1 22 3  38 o 21.2052 5.68731 0.910762     0.925751  2.56339      0.956725  25.45       70.8061     6.68741     70.8061     
1 1 1 22 3  39 o 10.9557 3.81417 -0.732651    0.773679  -0.675052    0.756451  2.28018     236.505     0.152504    56.5045     
1 1 1 22 3  40 o 19.7586 5.62405 1.72335      0.893832  1.43804      0.877769  21.5722     101.421     3.29824     101.421     
1 1 1 22 3  41 o 12.1235 4.16989 -0.0319163   0.853227  -0.554574    0.811808  8.25786     107.216     1.06014     287.216     
1 1 1 22 3  42 o 19.6897 5.78244 1.86374      1.00781   1.92438      0.942553  23.3967     145.905     14.7173     145.905     
1 1 1 22 3  43 f 14.5062 4.71695 0.883263     0.843468  0.299096     0.788431  6.94756     73.4743     0           0           
1 1 1 22 4  0  f 11.0326 5.13071 -0.0551587   0.743667  -0.0551587   0.743667  37.0077     1.52491e-05 0           0           
1 1 1 22 4  1  o 34.4027 5.20761 2.68741      0.900993  2.3363       0.900991  33.4221     243.026     19.3521     63.0259     
1 1 1 22 4  2  f 15.6297 4.7597  0.477571     0.749945  -0.631245    0.72947   15.1506     134.143     0           0           
1 1 1 22 4  3  o 17.6609 5.11176 0.464735     0.751345  0.256994     0.741027  15.4277     255.805     7.25284     75.805      
1 1 1 22 4  4  o 28.9252 5.29906 2.64733      0.86496   0.971948     0.847763  31.2067     88.5453     8.49664     268.545     
1 1 1 22 4  5  o 18.3567 5.10133 0.392518     0.713224  0.621521     0.713076  16.0428     327.73      8.80455     147.73      
1 1 1 22 4  6  o 9.96651 3.46142 -0.773009    0.617397  -1.69805     0.627397  1.84518     163.603     6.12432     343.603     
1 1 1 22 4  7  o 22.3386 5.13914 -0.224952    0.766515  1.95503      0.867606  20.1191     321.995     12.9419     141.995     
1 1 1 22 4  8  o 19.2721 4.87667 -0.787699    0.717574  1.51787      0.814152  19.887      31.6118     3.7442      211.612     
1 1 1 22 4  9  o 40.8842 4.88329 3.83178      0.977973  3.16252      1.0086    49.1733     354.193     4.69616     174.193     
1 1 1 22 4  10 o 24.4901 5.59918 0.642945     0.783464  1.92191      0.919057  17.0889     256.151     25.5774     76.1514     
1 1 1 22 4  11 o 18.6079 5.33936 0.935687     0.860087  -0.263835    0.850465  20.2656     0.964837    0.498514    180.965     
1 1 1 22 4  12 o 22.98   5.64103 1.15776      0.836161  1.05821      0.806223  8.03691     142.168     40.1933     322.168     
1 1 1 22 4  13 o 15.0387 4.70675 0.095592     0.762365  -0.215258    0.689016  8.51779     323.174     16.5717     143.174     
1 1 1 22 4  14 o 22.7852 5.63373 1.03504      0.834207  1.155        0.80781   26.439      48.5462     0.390779    228.546     
1 1 1 22 4  15 o 28.8917 4.96287 0.637112     0.862325  2.98879      0.813567  35.2302     161.047     0.00902661  161.048     
1 1 1 22 4  16 o 15.7742 4.67961 0.748573     0.750099  -0.715453    0.666533  2.96783     132.177     30.8221     312.177     
1 1 1 22 4  17 o 14.8218 4.60766 0.319114     0.698697  -0.501767    0.721118  7.18474     162.913     49.389      162.913     
1 1 1 22 4  18 o 23.5547 4.79465 2.48827      0.858008  -0.517533    0.788504  34.369      42.9669     15.0854     42.9669     
1 1 1 22 4  19 o 24.5819 5.68736 1.77822      0.893299  1.03096      0.801402  29.6562     311.522     1.7306      311.522     
1 1 1 22 4  20 o 29.217  5.31578 1.65689      0.836836  2.26196      0.800773  40.4179     75.7545     11.1616     75.7545     
1 1 1 22 4  21 o 37.7579 4.58467 3.08876      0.890519  3.07588      0.838579  46.0571     29.9682     0.781282    209.968     
1 1 1 22 4  22 o 15.5256 4.69941 0.249557     0.69257   0.175555     0.653957  16.0219     65.7861     1.68974     65.7861     
1 1 1 22 4  23 o 35.3125 4.88182 1.85407      0.835798  3.88574      0.886747  41.7839     343.455     2.458       163.455     
1 1 1 22 4  24 o 13.3832 4.26173 -0.784989    0.65075   0.283619     0.659941  8.78137     159.478     3.43214     159.478     
1 1 1 22 4  25 o 26.835  5.09702 2.68014      0.830114  0.801339     0.773544  29.8333     340.47      4.02164     160.47      
1 1 1 22 4  26 o 16.5957 4.88735 0.12515      0.723534  0.672782     0.701415  18.6884     149.143     3.15901     149.143     
1 1 1 22 4  27 o 16.2971 4.89131 0.558751     0.723286  0.19231      0.726661  12.5762     54.7253     8.37053     54.7253     
1 1 1 22 4  28 o 25.8697 5.59731 1.07121      0.838346  2.52405      0.908778  35.2534     174.306     11.0641     174.306     
1 1 1 22 4  29 o 17.1032 5.08162 -0.0491841   0.808413  0.991297     0.799826  18.4491     42.6544     0.192163    42.6545     
1 1 1 22 4  30 o 15.4598 4.74579 -0.674256    0.713466  0.995652     0.812887  14.9455     220.947     3.01639     40.9472     
1 1 1 22 4  31 o 17.7196 5.0021  1.29578      0.761602  0.0480714    0.742486  22.0374     275.884     7.19675     275.884     
1 1 1 22 4  32 o 19.2939 5.2583  0.255178     0.768373  1.70866      0.843908  24.7064     9.04994     16.9205     9.04994     
1 1 1 22 4  33 o 18.8919 5.40188 1.18138      0.857263  0.929513     0.780936  24.258      104.036     12.5982     104.036     
1 1 1 22 4  34 o 13.0298 4.33171 0.0773567    0.754716  -0.346492    0.748327  11.1389     261.517     0.227749    261.517     
1 1 1 22 4  35 o 25.4063 5.96984 2.63059      0.965147  1.88602      0.888004  22.0833     85.7606     13.6255     265.761     
1 1 1 22 4  36 o 11.8227 4.04149 -0.455263    0.771385  -0.407487    0.735702  9.02448     249.954     0.592762    69.9538     
1 1 1 22 4  37 o 14.8799 4.83409 0.133748     0.914082  0.661545     0.822955  12.4078     20.8587     6.3127      20.8587     
1 1 1 22 4  38 o 16.3553 5.15401 0.907343     0.922412  0.790783     0.846389  16.8631     290.922     6.90805     290.922     
1 1 1 22 4  39 o 13.9953 4.5565  0.824707     0.801856  -0.321369    0.767741  10.7819     66.5559     2.53668     66.5559     
1 1 1 22 4  40 o 10.3772 3.65128 -0.392743    0.754569  -1.91952     0.808504  2.65805     290.394     0.772058    110.394     
1 1 1 22 4  41 o 13.2616 4.49693 0.23878      0.895158  -0.0559197   0.884727  9.91813     157.403     2.42288     157.403     
1 1 1 22 4  42 o 11.0118 3.87449 -0.964797    0.906717  -0.692377    0.837742  5.83507     302.116     0.207324    302.116     
1 1 1 22 4  43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 5  0  o 21.0953 6.96725 1.31181      0.849686  1.31181      0.849686  6.65356     8.65157e-06 67.9252     8.65157e-06 
1 1 1 22 5  1  o 15.4609 4.84596 0.00194639   0.722581  -0.182877    0.824517  10.2568     20.5505     3.34438     20.5505     
1 1 1 22 5  2  o 27.9318 5.48853 2.43299      0.848116  0.873457     0.951301  41.777      46.2288     18.2641     46.2288     
1 1 1 22 5  3  o 23.5344 5.55632 1.57218      0.814245  0.671742     0.852142  22.5662     220.812     10.9007     40.8115     
1 1 1 22 5  4  f 17.9016 5.10631 0.838191     0.76972   -0.267256    0.794592  15.0036     231.029     0           0           
1 1 1 22 5  5  o 43.2511 5.05174 3.14184      1.04407   4.78123      1.12407   47.2508     346.445     14.9861     166.445     
1 1 1 22 5  6  o 36.7522 5.31751 2.68931      0.956045  3.10608      1.00238   23.0067     300.346     46.8326     120.346     
1 1 1 22 5  7  o 43.1585 4.6345  4.7703       1.0055    2.99135      0.965856  61.7075     161.827     14.8245     161.827     
1 1 1 22 5  8  o 54.9438 4.18171 4.81325      1.13078   7.44892      1.16328   72.6476     13.4756     5.41143     13.4756     
1 1 1 22 5  9  o 22.4743 5.45186 1.44727      0.805998  0.57852      0.788244  21.7603     242.712     9.92481     62.7123     
1 1 1 22 5  10 o 17.4035 4.78751 -0.534854    0.673315  1.03463      0.739412  20.1126     196.316     10.6        196.316     
1 1 1 22 5  11 o 20.6968 5.41697 0.90413      0.754468  0.726384     0.792261  18.1193     277.229     12.5639     97.2288     
1 1 1 22 5  12 o 51.4465 4.10091 5.12005      1.05098   5.57224      1.09816   64.2        95.0131     1.92953     275.013     
1 1 1 22 5  13 o 16.436  4.91581 0.228747     0.732613  0.214989     0.710767  12.5832     166.71      11.6698     346.71      
1 1 1 22 5  14 o 47.7435 4.17003 4.21615      0.996733  5.10581      1.01529   61.2957     339.243     2.36855     339.243     
1 1 1 22 5  15 o 17.5083 4.9126  -0.0919713   0.684404  0.866735     0.721786  20.139      93.5282     3.44604     93.5282     
1 1 1 22 5  16 o 19.1239 5.11032 1.1941       0.76911   -0.0685673   0.746312  13.2206     3.87341     18.3204     183.873     
1 1 1 22 5  17 f 18.9021 5.03549 -0.120235    0.699685  1.24366      0.777058  30.8656     350.252     0           0           
1 1 1 22 5  18 o 14.8003 4.73501 0.315361     0.864962  -0.762659    0.715135  11.9295     172.628     7.12912     352.628     
1 1 1 22 5  19 o 58.3311 4.08842 6.81976      1.23572   7.26881      1.20056   74.6279     70.1096     3.1823      70.1096     
1 1 1 22 5  20 o 28.1966 5.24528 3.02486      0.94173   0.760474     0.774477  24.225      16.2573     19.9685     196.257     
1 1 1 22 5  21 o 13.8085 4.37562 0.177457     0.672804  -0.423052    0.642306  12.1458     357.299     2.59885     357.299     
1 1 1 22 5  22 o 30.2065 5.21052 1.95162      0.808184  2.28027      0.811716  45.1019     2.23729     18.938      2.23729     
1 1 1 22 5  23 o 28.2497 5.32709 2.22337      0.811149  1.57133      0.795283  31.4817     16.5496     4.45508     196.55      
1 1 1 22 5  24 o 33.3407 5.03517 3.05245      0.84755   2.10894      0.845744  35.4186     115.862     9.94084     295.862     
1 1 1 22 5  25 o 15.2357 4.65469 0.446472     0.69467   -0.0701733   0.66952   15.3767     260.268     7.46712     260.268     
1 1 1 22 5  26 o 23.8653 4.80547 2.46293      0.790401  0.148126     0.741399  36.6364     122.93      20.1594     122.93      
1 1 1 22 5  27 o 26.507  4.8928  0.593267     0.781516  2.88135      0.810181  32.6538     141.341     3.0324      141.341     
1 1 1 22 5  28 o 13.6421 4.21104 -1.44805     0.644475  0.744207     0.676688  9.61927     257.852     9.95951     77.8516     
1 1 1 22 5  29 o 14.7673 4.661   0.588345     0.784697  -0.389094    0.703952  16.3969     332.424     6.72475     332.424     
1 1 1 22 5  30 o 16.6317 5.14485 0.493218     0.857899  0.50972      0.828758  15.9309     218.8       4.17338     38.8003     
1 1 1 22 5  31 o 14.4358 4.71016 -0.0459665   0.835141  0.110508     0.810199  12.0727     166.327     5.92255     346.327     
1 1 1 22 5  32 o 16.4092 4.94782 1.19157      0.832878  -0.19329     0.734492  16.9959     331.627     0.0571047   331.628     
1 1 1 22 5  33 o 20.0708 5.44007 1.79549      0.855451  0.661687     0.815985  20.3014     189.634     3.30398     9.63424     
1 1 1 22 5  34 o 21.3318 5.26367 2.41851      0.872507  0.319796     0.800971  30.1931     344.874     18.1774     344.874     
1 1 1 22 5  35 o 11.6533 4.00568 -0.677031    0.811331  -0.456609    0.727543  2.99788     309.149     0.991224    309.149     
1 1 1 22 5  36 o 11.4956 3.97442 -1.12304     0.829071  -0.290561    0.767346  6.24666     97.4398     1.53059     97.4398     
1 1 1 22 5  37 o 16.4197 5.13171 0.145003     0.814859  1.46899      0.94102   16.8462     39.6864     8.57701     39.6864     
1 1 1 22 5  38 f 16.8946 5.25915 0.995058     0.833624  0.984668     0.965055  11.4068     3.13515     0           0           
1 1 1 22 5  39 o 12.8828 4.36296 -0.466354    0.775487  0.320556     0.87481   4.7773      108.576     15.6086     288.576     
1 1 1 22 5  40 o 17.4126 5.19415 2.32374      0.978732  -0.453872    0.852201  18.9131     37.3417     9.1133      37.3417     
1 1 1 22 5  41 o 12.4945 4.25865 -0.4685      0.827667  0.250535     0.826202  5.6964      41.8649     1.94455     41.8649     
1 1 1 22 5  42 o 12.0557 4.18169 -0.942476    0.991995  0.00944575   0.842609  9.04215     173.976     1.28603     353.976     
1 1 1 22 5  43 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 6  0  o 32.7946 5.99523 2.45762      0.880691  2.45762      0.880691  66.7814     360         49.3986     360         
1 1 1 22 6  1  o 25.6539 5.15498 0.543528     0.779814  2.22086      0.81271   35.7238     140.639     11.2933     140.639     
1 1 1 22 6  2  o 32.4685 5.48326 2.12674      0.945058  2.46015      0.879619  38.152      337.668     3.96303     157.668     
1 1 1 22 6  3  o 21.0875 5.45142 0.675792     0.811151  1.01079      0.758553  23.9414     38.9529     0.0888081   218.954     
1 1 1 22 6  4  o 24.7316 5.65796 1.85423      0.895013  0.741639     0.835614  26.9891     329.582     5.0657      149.582     
1 1 1 22 6  5  o 27.9244 5.79483 2.29897      0.938356  1.14313      0.919601  41.1608     252.406     16.5904     252.406     
1 1 1 22 6  6  o 37.2399 5.39849 2.21414      1.01266   3.83916      1.00559   57.0715     3.18576     22.2028     3.18576     
1 1 1 22 6  7  f 28.5948 5.52722 1.50354      0.854307  2.08745      0.848119  33.5468     226.117     0           0           
1 1 1 22 6  8  o 21.3204 4.61449 -0.683057    0.691536  1.99167      0.790872  24.0463     298.53      2.08649     118.53      
1 1 1 22 6  9  o 44.1858 4.25277 3.95121      0.966043  3.98949      0.930712  63.9539     34.9086     16.773      34.9086     
1 1 1 22 6  10 o 40.6663 4.2212  3.50457      0.859044  3.23982      0.865895  49.9823     182.829     2.24744     2.82902     
1 1 1 22 6  11 o 25.7752 4.66374 2.44888      0.742352  0.337589     0.716279  26.3153     107.93      10.1817     287.93      
1 1 1 22 6  12 o 13.6318 4.31946 0.0992059    0.633802  -0.520425    0.658225  8.62724     45.6981     11.5755     225.698     
1 1 1 22 6  13 o 27.639  5.16897 2.19621      0.787027  1.18604      0.760422  36.1381     231.544     5.81658     231.544     
1 1 1 22 6  14 o 20.3465 5.19103 0.892955     0.709355  0.780559     0.693322  23.9024     348.536     1.76641     348.536     
1 1 1 22 6  15 o 21.1312 5.22865 1.31608      0.716923  0.432166     0.788075  18.2917     140.649     13.1978     320.649     
1 1 1 22 6  16 o 12.363  4.08288 -0.206902    0.64682   -0.79477     0.665712  8.70406     188.586     0.0677646   8.58599     
1 1 1 22 6  17 o 19.2493 4.86329 1.46065      0.746862  -0.527185    0.75685   11.5348     235.089     22.2325     55.0886     
1 1 1 22 6  18 o 16.2479 4.90688 -0.307068    0.719686  0.625389     0.792614  7.90654     335.108     4.89361     335.108     
1 1 1 22 6  19 o 14.5264 4.58073 -1.71967     0.84172   0.52648      0.770082  13.8593     32.2421     3.14218     32.2421     
1 1 1 22 6  20 o 14.3694 4.56724 0.703265     0.87339   -1.51509     0.638997  11.3859     46.5202     6.83827     226.52      
1 1 1 22 6  21 o 15.311  4.71262 0.016256     0.758003  0.234382     0.651603  2.23536     17.8454     1.32676     17.8454     
1 1 1 22 6  22 o 19.3431 4.91998 0.0120986    0.703699  1.35793      0.711614  25.029      319.407     9.17784     319.407     
1 1 1 22 6  23 o 17.3095 4.87352 -0.283033    0.721084  1.03398      0.728918  18.2404     76.2949     0.779534    256.295     
1 1 1 22 6  24 o 12.0841 4.05372 -0.790104    0.693051  -0.343682    0.682322  2.00751     264.792     30.8042     264.792     
1 1 1 22 6  25 o 25.531  5.42696 2.10549      0.827316  1.186        0.76726   38.8439     56.6931     20.356      56.6931     
1 1 1 22 6  26 o 21.6459 5.49058 1.07789      0.801575  1.29111      0.771714  23.2864     19.0191     2.85043     199.019     
1 1 1 22 6  27 o 15.8873 4.89309 -0.1039      0.753239  0.640114     0.789528  10.1374     97.6608     15.1073     277.661     
1 1 1 22 6  28 o 19.84   5.41542 1.1568       0.817642  0.868416     0.763118  27.8343     150.919     16.6977     150.919     
1 1 1 22 6  29 o 12.6965 4.1769  0.109744     0.69017   -0.590816    0.659336  11.2633     283.215     2.2954      103.215     
1 1 1 22 6  30 o 14.6946 4.69229 0.367699     0.766272  -0.0682565   0.76579   15.9209     46.5448     6.91166     46.5448     
1 1 1 22 6  31 o 19.0379 5.17423 -0.633841    0.765147  2.19822      0.956485  25.527      315.359     13.5904     315.359     
1 1 1 22 6  32 o 13.9519 4.59249 -0.11796     0.781455  0.129292     0.831534  8.68106     345.477     11.7008     165.477     
1 1 1 22 6  33 o 34.0901 5.90926 3.20488      1.02996   3.92578      1.05151   45.9597     37.5155     13.3504     37.5154     
1 1 1 22 6  34 o 12.8972 4.31226 0.0819285    0.762992  -0.396781    0.768405  7.48689     205.934     3.08984     205.934     
1 1 1 22 6  35 o 18.0058 5.37706 1.37365      0.859899  0.70889      0.911617  17.8288     56.9239     2.23545     236.924     
1 1 1 22 6  36 o 21.872  6.00213 1.64747      1.02115   2.2599       0.972614  20.5364     52.8516     6.80353     232.852     
1 1 1 22 6  37 o 12.3396 4.18128 -0.0588266   0.790887  -0.326282    0.737213  7.92659     43.4799     1.21282     43.4799     
1 1 1 22 6  38 o 16.4022 5.06017 1.00315      0.83178   0.756548     0.79025   12.4591     281.192     6.93046     281.192     
1 1 1 22 6  39 o 13.1639 4.35263 -0.394155    0.773495  0.50628      0.744422  6.42055     135.541     2.14083     135.541     
1 1 1 22 6  40 o 12.7116 4.30823 0.266912     0.799544  -0.44358     0.854014  9.22239     194.632     3.10071     14.6315     
1 1 1 22 6  41 o 21.7187 5.62655 1.47827      0.864744  2.49593      0.871721  23.8894     23.4624     18.4406     23.4624     
1 1 1 22 6  42 o ?       ?       ?            ?         ?            ?         3.34914     45.4827     0           0           
1 1 1 22 7  0  o 8.40414 4.12121 -0.471981    0.623488  -0.471981    0.623488  8.57997     180         36.8738     180         
1 1 1 22 7  1  o 20.7527 4.97352 1.35328      0.702105  0.251887     0.680494  13.3165     197.818     23.1763     17.8182     
1 1 1 22 7  2  o 22.7985 5.13111 0.696287     0.696751  1.46015      0.716136  17.8523     63.5492     19.3924     243.549     
1 1 1 22 7  3  o 26.7141 5.09751 1.70247      0.724016  1.3675       0.72644   22.3702     345.401     20.9823     165.401     
1 1 1 22 7  4  o 36.6405 4.69051 3.78168      0.896556  1.94204      0.805122  36.4028     170.018     19.2374     350.018     
1 1 1 22 7  5  o 38.7373 4.48178 3.33688      0.897527  2.85435      0.839939  42.6269     36.9898     12.1797     216.99      
1 1 1 22 7  6  o 33.0693 5.20742 2.25302      0.870302  2.46214      0.869659  40.444      344.654     0.949227    164.654     
1 1 1 22 7  7  o 16.3587 4.81846 0.0309087    0.673057  0.450086     0.696263  13.6781     32.4363     8.95296     212.436     
1 1 1 22 7  8  f 18.4424 4.94458 -0.0959225   0.710029  1.03198      0.708119  16.1053     203.16      0           0           
1 1 1 22 7  9  o 37.5173 4.65497 3.72927      0.830778  2.22671      0.876284  46.3055     130.923     0.976196    310.923     
1 1 1 22 7  10 o 43.864  4.13402 3.74638      0.926572  4.0915       0.902689  51.1145     117.495     8.10043     297.495     
1 1 1 22 7  11 o 15.3381 4.52764 0.612871     0.657657  -0.520174    0.645534  10.833      123.822     12.2702     303.822     
1 1 1 22 7  12 o 20.9702 5.21871 1.04568      0.722801  0.772727     0.69069   5.34265     306.085     40.0247     126.085     
1 1 1 22 7  13 o 14.4138 4.47216 -0.00107379  0.647753  0.0146753    0.63499   13.6384     97.481      2.94763     97.481      
1 1 1 22 7  14 o 37.9917 4.6008  2.81628      0.868789  3.32231      0.874738  39.7732     296.814     14.9346     116.814     
1 1 1 22 7  15 o 19.5423 5.14988 0.97013      0.709861  0.508283     0.710475  24.931      359.126     8.01375     359.126     
1 1 1 22 7  16 o 42.1727 4.30127 4.09936      0.916076  3.38206      0.902799  63.3087     310.704     22.4856     310.704     
1 1 1 22 7  17 o 26.3425 5.24128 2.27366      0.825276  0.930424     0.749394  34.4858     19.2755     6.86751     19.2755     
1 1 1 22 7  18 o 47.8028 4.28858 4.56745      1.03012   5.07244      1.04511   71.251      317.529     24.281      317.529     
1 1 1 22 7  19 o 19.4544 5.47251 0.0353036    0.852938  1.22224      0.894215  14.9576     31.41       14.7514     211.41      
1 1 1 22 7  20 o 15.1801 4.80995 -1.65439     0.931869  0.577413     0.839863  15.2688     337.671     2.93319     337.671     
1 1 1 22 7  21 o 23.5394 5.64627 0.296537     1.06385   2.01325      0.861219  21.3746     326.926     12.4485     146.926     
1 1 1 22 7  22 o 18.7842 5.25717 0.655536     0.788292  0.733049     0.732943  19.7074     92.787      2.031       272.787     
1 1 1 22 7  23 o 18.9847 5.00901 1.44916      0.786426  -0.143853    0.704088  17.5455     85.5762     7.89958     265.576     
1 1 1 22 7  24 f 22.7454 5.52136 1.32795      0.76393   1.26632      0.810201  20.3683     283.799     0           0           
1 1 1 22 7  25 f 11.6707 3.95635 -0.690439    0.662253  -0.576052    0.709678  22.2615     356.018     0           0           
1 1 1 22 7  26 o 15.5296 4.6991  -0.165411    0.693272  0.66699      0.705862  17.7929     71.2054     8.25743     71.2054     
1 1 1 22 7  27 o 12.9803 4.07452 0.712983     0.67468   -2.01016     0.637912  10.9251     212.36      4.48758     32.3595     
1 1 1 22 7  28 o 13.4788 4.36555 -0.155313    0.712557  0.0401452    0.668048  13.7945     82.0684     3.97153     82.0684     
1 1 1 22 7  29 o 17.7677 4.84526 -0.237754    0.714671  1.44542      0.743676  17.097      175.245     5.19262     355.245     
1 1 1 22 7  30 o 18.8276 5.22744 1.52989      0.810066  0.200304     0.821151  22.6587     6.31127     5.31624     6.31127     
1 1 1 22 7  31 o 19.6617 5.27011 0.0157153    0.784506  2.04432      0.895303  19.3272     209.937     4.69259     29.9366     
1 1 1 22 7  32 o 15.1323 4.89748 0.242828     0.956811  0.331406     0.780453  10.795      348.283     9.97714     168.283     
1 1 1 22 7  33 o 12.0109 4.0944  -0.628862    0.764317  -0.281222    0.759392  9.10899     148.871     0.980385    328.871     
1 1 1 22 7  34 o 17.9361 5.36954 1.4192       0.880898  0.579385     0.899753  15.1085     140.047     8.2887      320.047     
1 1 1 22 7  35 o 12.3012 4.14559 0.0244969    0.756155  -0.434236    0.703754  8.13257     9.92876     2.67098     9.92876     
1 1 1 22 7  36 o 16.9585 5.26079 1.03779      0.916973  0.902778     0.856836  17.9845     122.059     3.28103     122.059     
1 1 1 22 7  37 o 15.3858 4.58754 -1.05898     0.75552   1.51757      0.767728  11.3209     311.117     6.08022     311.117     
1 1 1 22 7  38 o 21.3839 5.63237 1.98732      0.864342  1.52958      0.813506  25.8835     79.8237     17.5871     79.8237     
1 1 1 22 7  39 o 19.4726 5.11988 -0.881008    0.886129  2.96223      0.963226  23.8423     347.73      10.2217     347.73      
1 1 1 22 7  40 o 12.037  4.12321 0.564965     0.823416  -1.52484     0.803313  8.49551     151.8       1.22826     331.8       
1 1 1 22 7  41 o 10.7309 3.74407 -1.4236      0.758366  -0.0850086   0.749764  6.55134     248.365     3.16994     68.3649     
1 1 1 22 7  42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 8  0  o 20.816  6.32396 1.22064      0.698983  1.22064      0.698983  33.0789     180         13.8903     180         
1 1 1 22 8  1  o 34.5876 4.5956  3.63273      0.816671  1.53196      0.75852   46.5688     281.413     7.44506     281.413     
1 1 1 22 8  2  o 29.2806 4.83464 1.12886      0.72186   2.59744      0.769766  35.0963     222.914     1.56542     42.914      
1 1 1 22 8  3  o 27.3557 5.03398 1.48741      0.717485  1.74261      0.726333  29.8721     352.923     6.98179     172.923     
1 1 1 22 8  4  o 21.2397 4.96586 1.40772      0.691801  0.350871     0.681075  29.3822     200.997     11.7443     200.997     
1 1 1 22 8  5  f 10.7211 3.63039 -0.509878    0.57012   -0.951162    0.589818  27.79       153.842     0           0           
1 1 1 22 8  6  o 21.4274 4.97444 1.57612      0.746271  0.23353      0.657757  15.647      142.591     20.0615     322.591     
1 1 1 22 8  7  o 17.1316 4.67651 1.05793      0.718738  -0.572125    0.640956  18.5426     35.1759     10.5408     35.1759     
1 1 1 22 8  8  f 43.9805 4.39332 2.90882      0.92596   5.20874      0.951673  49.0299     238.778     0           0           
1 1 1 22 8  9  o 21.201  5.23436 0.492087     0.747399  1.29168      0.732573  22.6097     216.475     4.0307      36.4745     
1 1 1 22 8  10 o 17.6366 5.00485 0.598994     0.701749  0.310636     0.702157  19.7213     132.183     1.85331     132.183     
1 1 1 22 8  11 o 29.3285 5.05501 1.52461      0.786297  2.27169      0.756314  44.5963     124.091     19.4516     124.091     
1 1 1 22 8  12 o 20.9364 5.22478 0.727041     0.705097  1.10272      0.720173  28.5995     19.8735     19.0054     19.8735     
1 1 1 22 8  13 o 29.4357 5.33168 2.14188      0.843757  1.78611      0.792757  26.5202     140.319     18.8676     320.319     
1 1 1 22 8  14 o 14.8844 4.55158 -0.504808    0.678566  0.460835     0.680491  12.7511     278.705     5.61048     278.705     
1 1 1 22 8  15 o 15.9465 4.82322 0.315982     0.741205  0.106131     0.675807  14.1791     269.618     5.76406     89.6175     
1 1 1 22 8  16 o 20.0034 5.15448 1.12451      0.719858  0.501342     0.703984  14.9942     353.221     16.624      173.221     
1 1 1 22 8  17 o 20.9666 5.09463 0.209613     0.700431  1.59273      0.774086  29.7966     143.971     16.8714     143.971     
1 1 1 22 8  18 o 16.9783 4.65341 1.08805      0.688518  -0.703659    0.715229  18.7458     329.611     10.4843     329.611     
1 1 1 22 8  19 o 31.1436 4.87855 0.93414      0.76988   3.70926      0.897321  34.0193     359.787     7.24563     179.787     
1 1 1 22 8  20 o 21.9732 5.80254 0.664266     0.88883   1.54277      0.936711  30.6235     3.51612     14.9689     3.51612     
1 1 1 22 8  21 o 29.0623 6.04996 1.67677      0.99211   2.6598       1.00198   27.082      247.93      15.2514     67.9299     
1 1 1 22 8  22 o 22.9275 5.44234 0.420112     0.811084  2.06259      0.880352  27.5598     325.251     2.73556     325.251     
1 1 1 22 8  23 o 22.1691 5.62413 1.17519      0.81208   1.29209      0.831288  25.4304     304.398     0.481937    304.398     
1 1 1 22 8  24 o 18.3791 5.02486 1.39309      0.807308  -0.110096    0.683653  20.9255     21.6803     1.74358     21.6803     
1 1 1 22 8  25 o 17.2299 4.68002 1.51525      0.790003  -0.99441     0.672951  19.6842     193.136     13.2469     193.136     
1 1 1 22 8  26 o 12.609  4.20449 -0.401904    0.685543  -0.338511    0.741645  10.3343     163.015     4.14123     343.015     
1 1 1 22 8  27 o 22.15   5.45393 1.77836      0.787511  0.874816     0.839995  25.8587     5.14048     1.55971     5.14048     
1 1 1 22 8  28 o 23.9515 5.7711  1.81298      0.909402  1.59435      0.807302  25.8593     23.7434     3.17053     203.743     
1 1 1 22 8  29 o 15.1316 4.65183 0.767167     0.722949  -0.243397    0.704226  16.927      299.738     6.7593      299.738     
1 1 1 22 8  30 f 13.3149 4.37103 0.0856115    0.762742  -0.194513    0.679824  17.0111     50.0713     0           0           
1 1 1 22 8  31 o 12.009  4.04853 -1.26149     0.727713  0.162014     0.72184   8.84529     0.174539    3.00079     180.175     
1 1 1 22 8  32 o 19.112  5.40585 1.06473      0.799154  1.23839      0.82387   23.765      307.883     9.28026     307.883     
1 1 1 22 8  33 o 11.1153 3.80456 -2.23221     0.695869  0.264198     0.707889  2.92005     317.603     0.711449    317.603     
1 1 1 22 8  34 o 14.7738 4.76238 0.360195     0.783071  0.422954     0.828523  6.90276     295.534     4.19266     295.534     
1 1 1 22 8  35 o 14.4218 4.56356 1.08151      0.781737  -0.669576    0.738445  9.427       358.586     5.02455     358.586     
1 1 1 22 8  36 o 15.4087 4.89635 0.715466     0.858329  0.539174     0.772642  14.5485     289.899     5.5005      289.899     
1 1 1 22 8  37 o 16.7715 5.00018 0.0728078    0.831384  1.53437      0.803808  16.5271     142.42      7.71093     142.42      
1 1 1 22 8  38 o 19.8789 5.48188 1.11095      0.843575  1.93385      0.843878  24.4088     298.974     11.9412     298.974     
1 1 1 22 8  39 o 13.6655 4.48658 -1.31655     0.812617  1.18978      0.847817  11.5881     162.045     1.3591      162.045     
1 1 1 22 8  40 o 13.7425 4.56831 0.434671     0.867628  0.297364     0.794932  10.385      311.331     5.23495     131.331     
1 1 1 22 8  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 9  0  o 9.96414 4.63273 -0.042392    0.60577   -0.042392    0.60577   0.103944    0.000433948 0.0446963   180         
1 1 1 22 9  1  o 19.0778 5.01376 0.89368      0.66838   0.417146     0.681968  2.07576     322.638     50.3075     322.638     
1 1 1 22 9  2  o 26.5198 5.04177 1.31796      0.703144  1.74997      0.72138   29.51       225.959     5.10781     45.9591     
1 1 1 22 9  3  o 19.681  5.13468 0.755987     0.700152  0.729954     0.682657  24.3618     93.0337     5.51068     93.0337     
1 1 1 22 9  4  o 22.0993 5.09206 1.45142      0.71936   0.593121     0.677581  22.0628     154.42      8.08766     334.42      
1 1 1 22 9  5  o 22.5271 5.19899 1.23019      0.707855  0.950717     0.693923  33.4374     272.008     18.3916     272.008     
1 1 1 22 9  6  o 24.325  5.21669 1.50622      0.745194  1.1015       0.69208   27.292      44.4635     3.24061     224.463     
1 1 1 22 9  7  o 18.6982 4.90759 1.20464      0.737521  -0.127655    0.664276  23.1972     343.826     6.5839      343.826     
1 1 1 22 9  8  o 10.1869 3.5004  -1.03444     0.583026  -0.747411    0.586953  4.13003     265.485     8.02761     85.4851     
1 1 1 22 9  9  o 26.1565 5.48499 1.55668      0.802624  1.54628      0.791371  27.1291     336.1       8.55682     156.1       
1 1 1 22 9  10 o 14.2684 4.46244 -0.638733    0.614777  0.386758     0.730365  8.91606     218.642     12.9209     38.6416     
1 1 1 22 9  11 o 53.0702 3.98513 5.86588      1.00688   5.67004      1.14103   75.0182     303.72      17.4258     303.72      
1 1 1 22 9  12 o 62.8966 3.45565 7.34946      1.11695   8.46312      1.11283   92.1107     168.979     26.6545     168.979     
1 1 1 22 9  13 o 14.4843 4.42082 -0.374714    0.615244  0.412877     0.643625  12.1141     285.093     5.61815     105.093     
1 1 1 22 9  14 o 33.8781 4.89209 2.47394      0.83275   2.58545      0.827247  34.242      258.859     14.5555     78.8588     
1 1 1 22 9  15 o 22.3954 4.58832 -0.246348    0.724694  2.10279      0.730277  13.6364     221.691     26.3222     41.6913     
1 1 1 22 9  16 o 17.0799 4.79854 0.875156     0.682996  -0.0889342   0.672504  18.236      351.851     0.311957    351.851     
1 1 1 22 9  17 o 18.266  4.89408 0.120364     0.668121  1.05412      0.68775   22.157      83.476      13.0198     83.476      
1 1 1 22 9  18 o 29.2621 4.98533 2.88945      0.819815  1.13842      0.757454  37.4526     148.224     5.2702      148.224     
1 1 1 22 9  19 o 15.6978 4.72404 0.161053     0.673324  0.353589     0.677068  15.7493     342.796     0.550109    162.795     
1 1 1 22 9  20 o 41.6504 5.01551 4.64198      1.08603   3.32633      0.995446  53.8712     59.3938     6.4056      59.3938     
1 1 1 22 9  21 o 20.9766 5.62657 1.5862       0.890055  0.298311     0.933346  26.1763     358.088     6.25461     358.088     
1 1 1 22 9  22 o 22.5244 5.3651  1.96561      0.810424  0.270293     0.930926  15.9825     98.2673     20.8768     278.267     
1 1 1 22 9  23 o 26.3789 5.64144 2.565        0.915849  1.1036       0.87189   25.4422     346.634     11.253      166.634     
1 1 1 22 9  24 f 11.868  4.01195 -0.35176     0.703614  -0.85061     0.694661  13.0482     68.0758     0           0           
1 1 1 22 9  25 o 18.0755 5.28021 0.789106     0.83052   0.64503      0.776739  22.7504     53.0813     8.34988     53.0813     
1 1 1 22 9  26 o 12.0352 4.03406 -0.906398    0.735361  -0.11317     0.652207  7.35425     217.156     10.0875     37.1562     
1 1 1 22 9  27 o 14.5689 4.56517 0.530364     0.715261  -0.182891    0.681559  14.3961     351.093     1.05896     171.093     
1 1 1 22 9  28 o 20.3862 4.71971 2.16435      0.776173  -0.342389    0.714497  22.9005     13.3036     0.202447    13.3036     
1 1 1 22 9  29 o 15.2224 4.54846 -0.760023    0.72382   1.04237      0.705647  12.2688     329.08      7.69499     149.08      
1 1 1 22 9  30 o 13.3036 4.36085 -0.60229     0.809083  0.299091     0.690725  10.9376     305.348     3.17086     125.348     
1 1 1 22 9  31 o 15.9306 4.89103 1.22212      0.836349  -0.392566    0.781065  17.1982     300.745     7.58915     300.745     
1 1 1 22 9  32 o 16.2354 4.99662 0.667395     0.802074  0.669706     0.771444  11.996      320.172     10.4882     140.172     
1 1 1 22 9  33 o 12.7357 4.23662 -0.218882    0.744953  0.0589095    0.698711  8.87696     83.7508     3.32823     83.7508     
1 1 1 22 9  34 o 14.2394 4.6081  0.113136     0.80247   0.490653     0.743467  8.61589     308.381     12.0114     128.381     
1 1 1 22 9  35 o 14.6938 4.72976 -0.0227171   0.797846  0.821689     0.815843  12.1711     290.764     3.76463     110.764     
1 1 1 22 9  36 o 15.2562 4.94098 0.404098     0.848759  0.80452      0.912249  12.8255     133.08      4.82047     133.08      
1 1 1 22 9  37 o 14.6154 4.71509 0.36533      0.779916  0.589742     0.804905  12.532      251.239     0.772799    71.2394     
1 1 1 22 9  38 o 13.6717 4.54585 0.229569     0.795719  0.299116     0.853252  5.30743     350.478     2.42853     350.478     
1 1 1 22 9  39 o 13.3404 4.40583 1.47082      0.881583  -2.08664     0.739423  5.3126      101.952     2.54908     101.952     
1 1 1 22 9  40 o 12.5862 4.22923 0.560095     0.778895  -0.599806    0.744786  5.91988     259.362     2.62979     259.362     
1 1 1 22 9  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 10 0  o 43.5649 4.82288 3.94415      1.0095    3.94415      1.0095    54.4467     3.60523e-06 1.74065     180         
1 1 1 22 10 1  o 30.4838 5.15262 2.21494      0.8167    1.89074      0.79149   38.5635     263.343     3.15543     263.343     
1 1 1 22 10 2  o 30.4999 4.79928 1.33003      0.742577  2.76862      0.768683  43.9414     323.43      14.3807     323.43      
1 1 1 22 10 3  o 49.2595 4.04412 5.6626       0.953668  4.27444      1.03117   62.4907     278.064     1.65162     278.064     
1 1 1 22 10 4  o 30.1231 5.13308 2.2963       0.782454  1.72598      0.812159  39.3483     245.522     5.90058     245.522     
1 1 1 22 10 5  o 20.4148 5.01357 1.20476      0.662631  0.435228     0.706903  20.932      354.107     5.22682     174.107     
1 1 1 22 10 6  o 22.8734 5.21255 1.28779      0.716173  1.02185      0.693904  30.9266     261.76      9.92353     261.76      
1 1 1 22 10 7  o 23.1136 5.08829 1.52007      0.694572  0.82116      0.698331  29.3291     248.879     5.2256      248.879     
1 1 1 22 10 8  o 16.8376 4.62261 1.05521      0.70629   -0.525481    0.619694  14.3341     185.691     8.86712     5.69087     
1 1 1 22 10 9  o 22.5565 5.36803 0.88402      0.762571  1.36255      0.746307  18.8674     139.656     15.6361     319.656     
1 1 1 22 10 10 o 16.4696 4.71232 0.748869     0.674266  -0.131884    0.641569  16.2285     91.12       2.70721     271.12      
1 1 1 22 10 11 o 25.3882 5.26319 1.92226      0.756397  1.00499      0.782692  34.4016     113.741     9.83271     113.741     
1 1 1 22 10 12 o 30.1359 5.06942 2.28296      0.79272   1.81181      0.772637  37.5366     188.987     2.59137     188.987     
1 1 1 22 10 13 o 38.0317 4.59786 2.21026      0.83728   4.1636       0.871589  46.9717     233.226     0.745779    233.226     
1 1 1 22 10 14 o 19.1355 5.03095 0.359365     0.690168  1.06378      0.693498  15.6263     99.3466     12.5561     279.347     
1 1 1 22 10 15 o 38.3758 4.60036 2.81         0.871702  3.63241      0.884634  45.1308     144.723     3.59479     324.723     
1 1 1 22 10 16 o 14.9164 4.6244  -0.161754    0.618673  0.346532     0.75167   12.1113     331.448     6.9569      151.448     
1 1 1 22 10 17 o 18.683  5.15423 1.13184      0.739561  -0.134791    0.87082   16.1911     113.538     9.71931     293.538     
1 1 1 22 10 18 f 24.3761 5.23757 2.10529      0.78727   0.66146      0.8064    23.9039     307.805     0           0           
1 1 1 22 10 19 o 17.8498 5.08141 1.01301      0.787444  0.0821218    0.711643  13.7227     130.513     12.7571     310.513     
1 1 1 22 10 20 o 15.4031 4.75714 0.25141      0.705365  0.137177     0.733345  15.6758     168.45      0.0457491   168.45      
1 1 1 22 10 21 o 15.2154 4.80624 0.731013     0.886369  -0.80011     0.719903  10.8876     130.77      11.3335     310.77      
1 1 1 22 10 22 o 17.4932 5.07908 0.146984     0.887155  0.836045     0.681359  13.1518     270.689     12.9896     90.6888     
1 1 1 22 10 23 o 35.3423 5.04972 2.57374      0.905093  3.51729      0.879117  53.3546     221.409     23.0557     221.409     
1 1 1 22 10 24 o 13.9044 4.37629 -0.437344    0.671624  0.426861     0.655472  11.2304     332.728     6.79017     152.728     
1 1 1 22 10 25 o 19.6129 5.35577 0.758787     0.757491  1.2696       0.802513  27.4397     293.83      16.0337     293.83      
1 1 1 22 10 26 o 16.0924 4.96972 0.587481     0.794729  0.282393     0.778157  13.9339     143.49      6.91713     323.49      
1 1 1 22 10 27 o 17.856  5.24095 0.571475     0.792048  1.01264      0.814829  14.961      343.905     9.36082     163.905     
1 1 1 22 10 28 o 13.4068 4.40186 0.271748     0.804559  -0.34156     0.64786   12.3657     227.072     1.10711     227.072     
1 1 1 22 10 29 o 16.9924 5.0995  0.533777     0.780369  0.916347     0.79206   19.1773     74.6121     5.32545     74.6121     
1 1 1 22 10 30 o 14.3205 4.63191 0.219808     0.763389  0.188105     0.778587  10.9881     318.991     6.92667     138.991     
1 1 1 22 10 31 o 13.9075 4.4894  -0.0380047   0.743412  0.381555     0.711159  13.0842     248.897     1.38587     248.897     
1 1 1 22 10 32 o 12.5681 4.15997 -0.322157    0.686545  0.165652     0.68042   8.80021     256.677     3.09574     256.677     
1 1 1 22 10 33 o 10.1967 3.55199 -0.832653    0.703466  -0.730695    0.62862   1.37279     32.0774     0.0141414   32.0773     
1 1 1 22 10 34 o 12.6062 4.18965 -0.684049    0.718799  0.420707     0.722058  6.82088     109.824     1.99572     109.824     
1 1 1 22 10 35 o 14.1225 4.49079 1.02977      0.762938  -0.607542    0.714183  10.8166     142.478     3.3555      142.478     
1 1 1 22 10 36 o 10.3015 3.62314 -0.700275    0.772784  -1.26436     0.726192  3.90366     60.6713     7.63538     240.671     
1 1 1 22 10 37 o 11.3392 3.89363 0.328185     0.741916  -1.69467     0.740133  6.71159     181.762     2.45737     1.76228     
1 1 1 22 10 38 o 24.4484 5.77651 4.06007      1.06407   1.13863      1.09848   25.778      17.9615     1.13332     197.962     
1 1 1 22 10 39 o 12.556  4.24154 -0.0259945   0.795965  0.0656945    0.756205  9.12975     158.952     2.7191      158.952     
1 1 1 22 10 40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 11 0  o 18.6035 6.29789 1.04736      0.698142  1.04736      0.698142  26.1862     180         6.5957      180         
1 1 1 22 11 1  o 9.3045  3.2243  -0.887525    0.528155  -0.952863    0.525335  0.537642    245.265     18.5848     245.265     
1 1 1 22 11 2  o 24.3481 5.10477 1.83627      0.7446    0.81491      0.701787  29.5385     273.466     1.96999     273.466     
1 1 1 22 11 3  o 17.2419 4.63381 -0.163417    0.653537  0.939709     0.620186  16.943      100.067     10.5886     100.067     
1 1 1 22 11 4  o 14.773  4.44474 0.401373     0.61029   -0.19138     0.617485  4.28699     218.051     2.37646     218.051     
1 1 1 22 11 5  o 32.5208 4.67657 1.79288      0.756883  2.83464      0.767178  43.7481     298.294     8.65181     298.294     
1 1 1 22 11 6  o 30.1341 5.05339 2.56345      0.789006  1.53067      0.793161  36.8028     357.4       0.931654    357.4       
1 1 1 22 11 7  o 14.2205 4.35045 0.435215     0.630528  -0.550682    0.623158  11.8914     239.833     5.01393     59.8329     
1 1 1 22 11 8  o 20.777  5.15102 1.07         0.681502  0.778866     0.701152  19.2678     344.596     9.54211     164.596     
1 1 1 22 11 9  o 28.7615 5.14128 1.64223      0.786747  2.11666      0.757591  39.8581     339.768     11.6452     339.768     
1 1 1 22 11 10 o 37.7492 5.26645 2.8618       0.88855   3.61093      1.10146   45.8242     214.161     0.534432    34.161      
1 1 1 22 11 11 o 20.0164 5.43471 0.535283     0.700205  1.13245      0.888153  17.6308     325.771     10.4629     145.771     
1 1 1 22 11 12 o 13.6796 4.36413 -0.491244    0.614454  0.186334     0.709901  2.56105     325.004     25.1884     145.004     
1 1 1 22 11 13 f 33.0801 4.63895 1.02687      0.794943  4.09809      0.810562  20.3593     331.579     0           0           
1 1 1 22 11 14 o 14.8146 4.58363 0.252812     0.699138  -0.0680819   0.643472  12.9432     259.817     4.36847     79.8167     
1 1 1 22 11 15 o 17.1616 4.91123 0.702358     0.718353  0.268028     0.647601  16.8654     152.742     3.34589     332.742     
1 1 1 22 11 16 o 11.9178 3.96336 -0.552434    0.637208  -0.349761    0.620593  6.26782     214.821     1.33667     214.821     
1 1 1 22 11 17 o 11.9429 3.94602 -0.285054    0.606345  -0.444986    0.605096  5.08108     187.811     14.4973     7.81056     
1 1 1 22 11 18 o 20.3567 5.19488 1.18903      0.734217  0.744348     0.682238  24.8434     279.536     4.70146     279.536     
1 1 1 22 11 19 o 17.3505 4.74812 1.18684      0.711775  -0.293857    0.665341  17.8575     321.925     2.1983      141.925     
1 1 1 22 11 20 o 17.3996 4.88082 -0.396268    0.696159  1.26517      0.780744  21.0228     337.395     5.87677     337.395     
1 1 1 22 11 21 o 18.9666 5.44871 0.894026     0.859585  0.739193     0.816736  16.0847     320.406     10.5357     140.406     
1 1 1 22 11 22 o 24.5054 6.03391 1.95307      0.988797  1.51723      0.893232  28.73       135.289     1.50744     135.289     
1 1 1 22 11 23 o 24.4242 5.44027 1.86889      0.77931   1.36966      0.778587  27.6776     6.80756     0.89054     186.808     
1 1 1 22 11 24 o 12.6612 4.15942 -0.0910011   0.66655   -0.268237    0.64818   11.0765     5.57613     4.50369     5.57613     
1 1 1 22 11 25 o 27.1117 5.05178 3.00803      0.822905  0.997243     0.793212  36.2348     97.0407     10.1449     97.0407     
1 1 1 22 11 26 o 28.0014 5.56235 2.36402      0.865568  2.10637      0.816106  36.4965     317.265     8.96267     317.265     
1 1 1 22 11 27 o 12.804  4.25219 -0.0694562   0.682268  -0.331399    0.762372  10.1664     111.987     3.68265     291.987     
1 1 1 22 11 28 o 12.3395 4.19628 -0.86102     0.773738  -0.107345    0.80506   1.52499     41.4678     0.592214    41.4678     
1 1 1 22 11 29 o 16.2131 5.11732 0.179421     0.873131  0.94453      0.902684  17.3795     222.993     7.94832     222.993     
1 1 1 22 11 30 o 9.67824 3.42818 -0.33419     0.713349  -2.04732     0.591046  2.93744     238.096     0.690747    58.0957     
1 1 1 22 11 31 o 14.1648 4.45045 -0.438974    0.696647  0.831465     0.703922  10.0586     267.36      5.45998     267.36      
1 1 1 22 11 32 o 12.2013 4.10445 -0.0436241   0.70228   -0.326351    0.723236  6.54294     341.222     10.5657     161.222     
1 1 1 22 11 33 o 11.8463 4.00608 -0.105641    0.713989  -0.364728    0.674651  7.30995     139.637     5.71591     319.637     
1 1 1 22 11 34 o 11.8817 4.02783 0.0831548    0.733569  -0.595381    0.692767  6.50707     100.67      0.458014    280.67      
1 1 1 22 11 35 o 11.9445 4.03921 0.0966881    0.718261  -0.553025    0.704187  7.11319     78.1254     0.917175    258.125     
1 1 1 22 11 36 o 13.2979 4.43814 0.957944     0.876472  -0.957615    0.742044  6.99083     212.747     2.60743     212.747     
1 1 1 22 11 37 o 15.8941 4.99309 1.87406      0.952718  -0.304975    0.786237  11.7586     110.869     6.95616     110.869     
1 1 1 22 11 38 o 13.7224 4.54442 -0.874135    0.820849  1.13027      0.875322  8.80737     133.921     4.32388     133.921     
1 1 1 22 11 39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 12 0  o 45.7672 3.95194 4.21354      0.90025   4.21354      0.90025   60.2323     1.84258e-06 5.55048     1.84258e-06 
1 1 1 22 12 1  o 27.5496 4.56476 0.58402      0.701114  2.83744      0.742186  41.9245     72.9048     19.6086     72.9048     
1 1 1 22 12 2  o 14.3094 4.33387 -0.18069     0.585193  0.349549     0.589533  12.4158     2.71024     4.56822     2.71025     
1 1 1 22 12 3  o 27.8263 4.91648 1.41839      0.698586  2.06454      0.728724  24.8041     333.006     17.5502     153.006     
1 1 1 22 12 4  f 14.5904 4.46132 -0.646417    0.572181  0.614558     0.732555  14.5684     164.284     0           0           
1 1 1 22 12 5  o 17.7141 5.06857 0.469025     0.611669  0.557665     0.833195  16.0605     94.4706     7.03224     274.471     
1 1 1 22 12 6  o 11.8543 3.89287 -0.605596    0.548099  -0.125199    0.605557  7.80116     86.0596     5.11566     266.06      
1 1 1 22 12 7  o 23.7786 4.55766 0.0106512    0.71661   2.31027      0.726323  21.2885     126.724     13.8839     306.724     
1 1 1 22 12 8  o 14.2555 4.43508 -0.000772286 0.658319  0.0695388    0.612162  12.3535     242.428     3.44654     62.4282     
1 1 1 22 12 9  o 24.6114 5.31454 2.00263      0.833154  0.865054     0.704203  28.4924     100.549     0.33148     280.549     
1 1 1 22 12 10 o 20.2733 4.33315 -1.02537     0.736344  1.90444      0.699556  20.8556     66.0448     4.77171     246.045     
1 1 1 22 12 11 o 25.1378 5.27796 1.05943      0.753749  1.91789      0.769861  30.0171     102.714     1.51268     102.714     
1 1 1 22 12 12 o 24.3327 5.54116 1.37393      0.808887  1.47523      0.781584  23.5778     97.3574     9.80337     277.357     
1 1 1 22 12 13 o 16.4608 4.83188 0.376869     0.660965  0.40056      0.694179  16.1336     137.465     2.64914     317.465     
1 1 1 22 12 14 o 19.3166 5.06445 0.407167     0.6908    1.15082      0.709726  23.2959     160.83      16.0643     160.83      
1 1 1 22 12 15 o 15.6528 4.36379 1.04719      0.661958  -0.963154    0.622318  5.30419     354.397     24.9846     174.397     
1 1 1 22 12 16 o 20.3001 5.22855 1.06886      0.732074  0.859328     0.696618  23.807      140.041     2.51779     140.041     
1 1 1 22 12 17 o 14.531  4.52694 0.163476     0.651801  0.0636661    0.676476  13.2163     288.163     3.50732     108.163     
1 1 1 22 12 18 o 23.6113 5.05236 2.24179      0.790665  0.452989     0.749828  24.9012     77.0853     5.02559     257.085     
1 1 1 22 12 19 o 31.4671 5.12679 2.43497      0.837846  2.41299      0.800324  44.4813     62.168      15.0084     62.168      
1 1 1 22 12 20 o 11.1664 3.79096 -0.42348     0.64871   -0.800518    0.624455  5.57267     179.869     11.3311     359.869     
1 1 1 22 12 21 o 23.97   5.95904 1.91585      0.960557  1.43759      0.880919  16.1169     132.751     23.6075     312.751     
1 1 1 22 12 22 o 22.0778 5.66649 0.714607     0.950359  1.96979      0.877375  30.7825     78.1098     13.8164     78.1098     
1 1 1 22 12 23 o 18.908  4.95168 1.39532      0.702272  0.337705     0.688147  23.6817     79.9314     6.84667     79.9314     
1 1 1 22 12 24 o 18.5981 5.00668 1.45454      0.753052  0.256118     0.682002  24.8683     10.9605     14.1831     10.9605     
1 1 1 22 12 25 o 23.8887 5.42085 1.3391       0.781108  1.98304      0.776097  31.3229     51.1172     9.72751     51.1172     
1 1 1 22 12 26 o 19.2725 5.39503 1.31202      0.822531  0.89959      0.785904  20.5942     326.019     0.00503407  145.997     
1 1 1 22 12 27 o 14.618  4.64002 -0.117164    0.77044   0.580801     0.731305  13.9105     327.911     0.289812    327.911     
1 1 1 22 12 28 o 20.0464 5.35147 0.674837     0.832766  1.81004      0.807155  23.9249     323.497     5.6864      323.497     
1 1 1 22 12 29 f 13.776  4.46871 0.553675     0.734843  -0.447915    0.775298  6.54983     13.3855     0           0           
1 1 1 22 12 30 o 19.268  5.34521 0.395983     0.864436  1.96406      0.863771  22.0196     47.6342     3.82607     47.6343     
1 1 1 22 12 31 o 17.3131 5.15621 1.31386      0.85136   0.655195     0.729657  19.741      191.373     7.26421     191.373     
1 1 1 22 12 32 o 12.8184 4.27008 -0.212318    0.808389  0.137984     0.680795  8.93575     173.246     1.48468     173.246     
1 1 1 22 12 33 o 10.403  3.61287 -1.09162     0.663479  -0.326699    0.679989  1.79688     130.49      14.7543     310.49      
1 1 1 22 12 34 o 11.9409 4.02626 -0.211543    0.72436   -0.12328     0.661005  6.64815     138.631     0.0956955   318.631     
1 1 1 22 12 35 o 11.6848 3.98045 -0.652207    0.735278  0.0428213    0.712472  7.19417     124.948     4.33356     304.948     
1 1 1 22 12 36 o 19.0514 5.73814 2.0172       1.02326   1.48165      0.973282  22.5418     51.8565     11.5412     51.8565     
1 1 1 22 12 37 o 18.9365 5.41533 0.569701     0.875624  2.3677       0.929741  22.7244     103.628     9.19172     103.628     
1 1 1 22 12 38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 13 0  o 26.3206 6.29475 1.80445      0.768299  1.80445      0.768299  50.7374     180         37.8602     180         
1 1 1 22 13 1  o 14.8328 4.52666 0.107482     0.644849  0.179246     0.625267  13.6769     115.156     5.36826     115.156     
1 1 1 22 13 2  o 27.3928 5.46054 1.66982      0.900505  1.87371      0.736452  34.9789     223.97      5.8006      223.97      
1 1 1 22 13 3  o 17.9596 5.08108 -0.50166     1.05383   0.915265     0.64661   20.7977     62.793      4.44655     62.793      
1 1 1 22 13 4  o 36.6297 5.22132 3.85393      1.12961   2.3806       0.79499   58.3355     209.364     29.3888     209.364     
1 1 1 22 13 5  o 17.6258 4.84063 0.493073     0.633904  0.657656     0.636122  20.8658     239.984     5.96507     239.984     
1 1 1 22 13 6  o 24.9083 5.11976 1.08005      0.721713  1.80195      0.717169  29.9094     246.946     1.90242     246.946     
1 1 1 22 13 7  o 19.4512 5.05299 0.707315     0.67774   0.898887     0.664385  25.2876     17.2719     10.2198     17.2719     
1 1 1 22 13 8  o 23.4579 5.1361  1.04187      0.702589  1.51736      0.695244  33.4157     37.4409     14.7097     37.4409     
1 1 1 22 13 9  f 25.2427 5.11757 1.09834      0.725491  1.89234      0.725739  23.9565     230.596     0           0           
1 1 1 22 13 10 o 13.2535 4.21077 0.0561371    0.610643  -0.232715    0.60226   11.0683     150.521     3.13376     330.521     
1 1 1 22 13 11 o 16.703  4.74122 0.83864      0.68263   0.0261863    0.621612  19.7054     352.051     6.84977     352.051     
1 1 1 22 13 12 o 15.4158 4.70352 0.291213     0.686162  0.15941      0.685094  16.5601     332.429     3.54385     332.429     
1 1 1 22 13 13 o 28.3861 5.21173 1.30482      0.779535  2.65767      0.832227  36.5616     0.462573    6.53447     0.462573    
1 1 1 22 13 14 o 15.1446 4.56714 0.482452     0.633056  -0.0470463   0.662162  14.5839     39.1198     2.26484     219.12      
1 1 1 22 13 15 o 16.7011 4.81773 0.107032     0.682242  0.792844     0.681182  20.0458     234.691     6.84684     234.691     
1 1 1 22 13 16 o 19.4823 5.10575 1.10777      0.710608  0.673882     0.673559  27.0481     355.541     15.5996     355.541     
1 1 1 22 13 17 o 18.7369 5.01504 0.348627     0.712661  1.1782       0.697577  24.9234     163.729     11.3788     163.729     
1 1 1 22 13 18 o 13.8481 4.36532 0.339319     0.656124  -0.290668    0.640706  13.2715     273.629     0.979935    93.629      
1 1 1 22 13 19 o 33.5329 4.94017 3.13544      0.856494  2.39943      0.807503  49.5832     192.953     20.4475     192.953     
1 1 1 22 13 20 o 23.3749 5.43456 1.82842      0.795349  1.19619      0.751751  23.6371     210.411     6.42479     30.4112     
1 1 1 22 13 21 o 14.8189 4.79726 0.238997     0.876169  -0.0440815   0.777779  13.3188     341.102     4.19901     161.102     
1 1 1 22 13 22 o 19.4005 5.51826 0.830096     0.910052  1.22488      0.821838  25.1359     128.11      10.5368     128.11      
1 1 1 22 13 23 o 29.2237 5.40826 1.97518      0.841911  2.79665      0.843013  32.2729     85.2925     3.12735     265.293     
1 1 1 22 13 24 o 14.096  4.45904 -0.219105    0.663229  0.528998     0.702444  12.0528     84.8459     5.48133     84.8459     
1 1 1 22 13 25 o 24.6955 5.76401 1.87584      0.907752  2.00694      0.819582  29.1133     74.1477     3.34391     74.1477     
1 1 1 22 13 26 o 19.1733 4.87499 0.00542597   0.777139  1.78515      0.722749  23.3943     138.923     6.94776     138.923     
1 1 1 22 13 27 o 13.4689 4.38735 0.140154     0.721854  0.052312     0.694692  9.92898     29.7621     6.67643     209.762     
1 1 1 22 13 28 o 18.0606 4.92082 1.67136      0.760504  0.128365     0.689692  22.5974     118.027     10.5823     118.027     
1 1 1 22 13 29 o 16.1143 4.92483 0.964867     0.78952   0.451457     0.724139  14.4967     4.94837     3.91271     184.948     
1 1 1 22 13 30 o 13.3932 4.37675 0.246706     0.727706  0.0891939    0.698425  10.3344     30.5234     4.04165     210.523     
1 1 1 22 13 31 o 10.8707 3.76776 -0.713398    0.664518  -0.525353    0.762929  5.37348     196.652     2.4548      16.6525     
1 1 1 22 13 32 o 11.9093 4.08278 -0.659676    0.78169   -0.118761    0.787912  6.40664     268.752     0.875049    88.7524     
1 1 1 22 13 33 o 13.6956 4.49238 1.08542      0.862497  -0.869729    0.694583  8.99244     94.6233     2.99215     94.6233     
1 1 1 22 13 34 o 11.0258 3.78794 -0.306014    0.700716  -0.506151    0.663264  4.64568     304.929     0.118088    124.929     
1 1 1 22 13 35 o 11.8335 4.04482 -0.401224    0.783413  -0.0612431   0.733717  2.24168     244.652     0.723016    244.652     
1 1 1 22 13 36 o 13.7411 4.55917 0.744915     0.85413   -0.126842    0.79991   5.32745     305.792     2.90667     305.792     
1 1 1 22 13 37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 14 0  o 5.71707 2.92956 -0.885169    0.467997  -0.885169    0.467997  0.206009    180         0.88669     180         
1 1 1 22 14 1  o 17.5767 4.79366 0.43641      0.613572  0.740431     0.631632  16.4763     217.803     5.75264     37.8033     
1 1 1 22 14 2  o 21.6495 4.66946 0.311697     0.63952   1.71536      0.659798  24.7349     5.98297     0.00923226  5.98267     
1 1 1 22 14 3  o 11.4985 3.78879 -0.355913    0.518983  -0.307353    0.581344  6.0743      324.677     10.0817     144.677     
1 1 1 22 14 4  o 41.7658 4.55776 3.00859      0.884049  4.75959      1.0112    57.6971     317.632     14.267      317.632     
1 1 1 22 14 5  o 19.8745 5.09111 0.392651     0.675499  1.31118      0.739113  9.76596     292.11      26.7054     112.11      
1 1 1 22 14 6  o 13.0668 4.10634 0.365453     0.587266  -0.994998    0.656439  11.5942     314.938     0.6092      314.938     
1 1 1 22 14 7  o 17.2731 4.4954  1.23658      0.656327  -0.495439    0.627464  21.8086     350.838     10.3805     350.838     
1 1 1 22 14 8  o 33.3405 4.98156 2.47502      0.798758  2.69488      0.869296  40.9995     187.405     2.33134     187.405     
1 1 1 22 14 9  o 28.9409 5.24388 1.66227      0.77835   2.41211      0.818692  36.2355     215.859     4.40307     215.859     
1 1 1 22 14 10 f 18.9742 5.13468 0.913507     0.721378  0.665561     0.693188  23.8011     278.768     0           0           
1 1 1 22 14 11 o 25.5623 5.42582 1.47854      0.814403  1.80529      0.754314  22.3588     161.097     15.3786     341.097     
1 1 1 22 14 12 f 13.3879 4.39461 -0.098605    0.839597  -0.297304    0.594574  19.7024     345.744     0           0           
1 1 1 22 14 13 o 13.7382 4.47801 -0.183052    0.875111  -0.101       0.596128  12.8683     293.919     4.97461     293.919     
1 1 1 22 14 14 o 13.0114 4.23646 -0.659509    0.745622  0.0913727    0.625311  10.3921     290.6       4.37567     290.6       
1 1 1 22 14 15 o 16.3691 4.62554 -0.0843887   0.630611  0.940617     0.650374  19.5275     359.489     5.95236     359.489     
1 1 1 22 14 16 o 15.3835 4.65684 0.204378     0.691232  0.448833     0.642074  10.6963     230.889     12.3185     50.889      
1 1 1 22 14 17 o 14.7887 4.49542 0.0478746    0.644955  0.480956     0.619524  12.7569     217.906     5.93674     37.9062     
1 1 1 22 14 18 o 18.6126 5.06841 1.08775      0.712574  0.633183     0.684213  15.4996     310.941     10.8137     130.941     
1 1 1 22 14 19 o 16.4331 4.74201 0.0195712    0.670892  0.977295     0.68456   20.0795     242.023     8.18305     242.023     
1 1 1 22 14 20 o 16.5532 4.72636 1.09253      0.696387  -0.0449688   0.653644  17.5852     54.8334     11.3785     54.8334     
1 1 1 22 14 21 o 21.958  5.58965 1.12763      0.761216  1.78471      0.873798  24.1437     89.6371     0.382568    269.637     
1 1 1 22 14 22 f 15.9587 5.05225 0.531692     0.92616   0.362978     0.791612  7.85198     39.2899     0           0           
1 1 1 22 14 23 o 14.3454 4.59269 0.265234     0.778852  0.163801     0.68685   13.7368     109.11      3.21674     109.11      
1 1 1 22 14 24 o 16.7012 4.84931 1.28654      0.757416  -0.0452703   0.695498  19.2398     192.821     8.45244     192.821     
1 1 1 22 14 25 o 21.6792 5.21706 0.711923     0.779002  2.14576      0.785059  30.7784     350.997     20.9166     350.997     
1 1 1 22 14 26 o 16.7891 4.69442 1.77696      0.799661  -0.985085    0.71864   19.5371     310.39      10.7494     310.39      
1 1 1 22 14 27 o 11.4941 3.9057  -0.259452    0.676855  -0.493346    0.683034  6.62342     317.826     8.29883     137.826     
1 1 1 22 14 28 o 12.0149 4.00525 -0.437858    0.66263   0.122992     0.64896   8.69372     247.825     0.0855333   247.824     
1 1 1 22 14 29 o 16.9066 5.00873 1.20588      0.772071  0.553599     0.726983  18.2813     266.57      5.58207     266.57      
1 1 1 22 14 30 o 14.195  4.53869 0.472615     0.728496  0.29955      0.699462  1.75916     270.716     0.858902    270.716     
1 1 1 22 14 31 o 13.3801 4.3408  -0.127257    0.682324  0.508823     0.703153  8.77001     175.727     2.2038      175.727     
1 1 1 22 14 32 o 11.8714 4.03561 0.343043     0.738434  -1.38352     0.79333   6.25843     126.239     0.395365    126.239     
1 1 1 22 14 33 o 23.2713 5.96748 1.5917       0.888217  3.11895      1.0308    24.6161     109.404     0.0659327   289.405     
1 1 1 22 14 34 o 14.1752 4.73404 0.537411     0.910551  0.306585     0.916493  10.5412     95.1887     6.00763     275.189     
1 1 1 22 14 35 o 14.3659 4.78976 0.568951     1.06141   0.428651     0.804024  12.8289     108.771     0.711803    288.771     
1 1 1 22 14 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 15 0  o 10.3908 4.69664 0.14212      0.565272  0.14212      0.565272  6.08361     5.69354e-05 0.0762644   5.69353e-05 
1 1 1 22 15 1  o 18.1994 4.82392 1.0983       0.665304  0.214865     0.639081  23.8874     349.163     13.0657     349.163     
1 1 1 22 15 2  o 18.5228 4.85436 0.994416     0.646425  0.479165     0.617365  14.2938     164.284     13.4332     344.284     
1 1 1 22 15 3  o 34.9408 4.59919 2.52757      0.80151   3.00884      0.800701  34.4432     344.489     15.1597     164.489     
1 1 1 22 15 4  o 30.911  4.80159 1.5107       0.755705  3.02574      0.772875  44.3834     156.82      16.1595     156.82      
1 1 1 22 15 5  o 13.6759 4.28685 -0.0509623   0.599156  0.130256     0.610543  3.39589     65.2746     23.4772     245.275     
1 1 1 22 15 6  o 15.8617 4.58186 0.770345     0.643189  -0.0887757   0.615802  15.3539     252.979     3.06672     72.979      
1 1 1 22 15 7  o 16.1263 4.6143  0.0324273    0.616932  0.770544     0.633141  14.3782     226.521     6.26426     46.5207     
1 1 1 22 15 8  o 16.3282 4.68368 0.673727     0.639106  0.259002     0.612669  14.3718     319.081     6.86562     139.081     
1 1 1 22 15 9  o 18.4476 5.03231 0.804696     0.686441  0.716608     0.676411  18.1641     336.998     4.55852     156.998     
1 1 1 22 15 10 o 16.8905 4.50546 1.24422      0.667731  -0.482989    0.619927  16.296      169.218     4.43507     349.218     
1 1 1 22 15 11 o 13.323  4.18858 0.297724     0.595882  -0.322154    0.597134  10.049      318.27      7.55346     138.27      
1 1 1 22 15 12 o 13.7064 4.20047 0.609035     0.623539  -0.63692     0.575295  14.1228     238.044     5.11503     238.044     
1 1 1 22 15 13 o 18.6151 5.0917  1.07994      0.71784   0.544589     0.707063  4.69469     27.8635     33.5292     207.863     
1 1 1 22 15 14 o 24.9683 5.66592 1.90484      0.790107  1.58423      0.902603  32.3175     32.5092     8.09525     32.5092     
1 1 1 22 15 15 o 15.5846 6.50345 -1.81247     0.483902  0.442361     0.618414  14.1001     72.2256     1.51921     252.226     
1 1 1 22 15 16 f 17.7889 4.97151 1.02632      0.676908  0.415544     0.732846  4.83119     167.459     0           0           
1 1 1 22 15 17 o 18.0164 5.10437 1.04434      0.708028  0.481542     0.793923  15.1327     234.342     9.47232     54.3419     
1 1 1 22 15 18 o 27.5401 5.06464 1.33772      0.773401  2.77344      0.778427  37.1428     21.9826     11.5628     21.9826     
1 1 1 22 15 19 o 16.4786 4.68523 1.15476      0.685846  -0.186643    0.684086  16.0154     135.225     2.57338     315.225     
1 1 1 22 15 20 o 10.1445 3.50996 -0.984971    0.591246  -0.543349    0.634292  0.804258    82.8482     22.0558     82.8482     
1 1 1 22 15 21 o 20.0645 5.28485 1.84049      0.792089  0.292189     0.932744  18.87       211.102     6.09978     31.1023     
1 1 1 22 15 22 o 11.6354 3.97865 -1.77499     0.849522  -0.0203047   0.715658  7.94589     302.634     0.140963    122.634     
1 1 1 22 15 23 o 14.8674 4.78963 -0.504169    1.12017   0.607251     0.704497  14.8948     80.0457     3.887       80.0457     
1 1 1 22 15 24 o 9.6127  3.37372 -0.89892     0.653392  -1.123       0.629112  4.51857     139.012     3.74134     319.012     
1 1 1 22 15 25 o 19.73   5.16009 0.149474     0.835769  2.11311      0.824302  22.8666     2.25108     4.23049     2.25109     
1 1 1 22 15 26 o 11.8785 4.00041 -0.000234702 0.714238  -0.433651    0.63462   7.01943     54.2148     7.96112     234.215     
1 1 1 22 15 27 o 14.6073 4.49782 1.32922      0.782219  -0.89986     0.643334  12.2496     336.169     3.51093     156.169     
1 1 1 22 15 28 o 13.6455 4.55429 0.879593     0.962813  -0.460267    0.639883  7.16336     305.569     2.63263     305.569     
1 1 1 22 15 29 o 18.2296 5.42541 1.55306      1.00407   0.990258     0.739981  15.2474     320.986     6.71871     140.986     
1 1 1 22 15 30 o 9.48774 3.35653 -1.81129     0.824682  -0.807553    0.601307  2.22126     14.9418     9.64192     194.942     
1 1 1 22 15 31 o 11.1756 3.87333 -0.680427    0.877114  -0.421961    0.648812  5.79185     329.116     0.869774    149.116     
1 1 1 22 15 32 o 12.1359 4.12393 -0.715664    0.896645  0.167095     0.69339   7.85472     261.067     5.48299     81.0665     
1 1 1 22 15 33 o 12.9135 4.41194 0.788662     0.976403  -0.729215    0.727466  5.91472     274.627     2.59757     274.627     
1 1 1 22 15 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 16 0  o 30.066  5.71416 2.21281      0.769502  2.21281      0.769502  31.6245     5.81745e-06 10.0902     180         
1 1 1 22 16 1  o 20.2976 5.08276 1.12393      0.679579  0.891102     0.662331  28.0667     219.292     13.3086     219.292     
1 1 1 22 16 2  o 24.1454 5.06783 1.84597      0.710871  1.07285      0.689914  30.1468     333.797     5.14058     333.797     
1 1 1 22 16 3  o 12.7028 3.93407 -0.831119    0.543802  0.476536     0.557529  11.973      65.5568     1.82371     65.5568     
1 1 1 22 16 4  o 12.6764 3.93091 -0.716774    0.553375  0.42568      0.538044  11.3395     293.494     3.88581     293.494     
1 1 1 22 16 5  o 17.274  4.72641 0.999793     0.648149  0.187577     0.618913  8.61251     298.081     21.993      118.081     
1 1 1 22 16 6  o 20.4151 5.09474 0.945457     0.683947  1.131        0.664806  29.2085     244.615     16.4574     244.615     
1 1 1 22 16 7  o 19.2851 4.89653 1.24051      0.647578  0.498766     0.663127  21.1296     251.374     0.486036    71.3738     
1 1 1 22 16 8  o 21.456  4.79409 0.306563     0.692491  1.86772      0.695088  26.3641     269.969     4.58331     269.969     
1 1 1 22 16 9  o 13.6096 4.12068 0.661558     0.593952  -0.745281    0.574922  14.2585     238.951     4.92096     238.951     
1 1 1 22 16 10 o 16.6546 4.64581 0.0964644    0.633693  0.960597     0.628314  20.5659     214.519     7.611       214.519     
1 1 1 22 16 11 o 13.0313 4.14124 -0.297816    0.598697  0.259623     0.594466  12.6345     315.295     4.72976     315.295     
1 1 1 22 16 12 o 12.3367 4.05601 -0.216158    0.571315  -0.151335    0.676806  8.5584      208.733     7.87575     28.7332     
1 1 1 22 16 13 o 17.1588 4.67022 -0.193973    0.697586  1.21945      0.658179  17.4691     40.0638     2.08461     220.064     
1 1 1 22 16 14 o 18.2144 4.8535  0.230292     0.662171  1.31836      0.689692  23.557      232.323     14.9807     232.323     
1 1 1 22 16 15 o 18.2081 4.73848 0.106316     0.646255  1.40636      0.674149  23.1716     346.86      15.0553     346.86      
1 1 1 22 16 16 o 11.0978 3.70004 -0.895344    0.550218  0.0759622    0.58359   4.7302      22.7252     12.2677     202.725     
1 1 1 22 16 17 o 13.7159 4.34371 0.269569     0.654573  0.0490783    0.619273  11.2153     153.556     4.41251     333.556     
1 1 1 22 16 18 o 20.463  5.03567 0.479291     0.718947  1.82837      0.737828  19.7282     202.28      5.52726     22.28       
1 1 1 22 16 19 o 18.1912 5.11119 1.15785      0.749442  0.705549     0.702047  22.1137     58.8247     9.05188     58.8247     
1 1 1 22 16 20 o 13.9271 4.37071 0.0586466    0.633354  0.433901     0.636652  12.8788     215.809     0.394272    215.809     
1 1 1 22 16 21 o 20.6934 5.38378 0.551007     0.774109  2.16975      0.878778  24.8726     93.3487     6.08941     93.3487     
1 1 1 22 16 22 o 11.4299 3.96429 -0.623564    0.872283  -0.784664    0.705354  7.86159     25.5092     2.99797     205.509     
1 1 1 22 16 23 f 18.7643 5.44965 1.46154      0.987431  0.988062     0.715847  15.1674     86.6792     0           0           
1 1 1 22 16 24 o 20.6494 5.25884 1.87714      0.777262  0.948654     0.711395  27.1248     48.8488     13.0722     48.8488     
1 1 1 22 16 25 o 11.2783 3.90473 0.229307     0.814152  -1.29782     0.59659   5.64018     113.664     8.35351     293.664     
1 1 1 22 16 26 o 11.9104 3.98163 0.163182     0.675447  -0.468562    0.624443  4.86031     218.478     0.677929    218.478     
1 1 1 22 16 27 o 11.4503 3.87402 -0.409965    0.664278  -0.131337    0.644477  5.98742     160.897     5.20773     340.897     
1 1 1 22 16 28 o 14.9274 4.66645 0.696051     0.725848  0.397915     0.698696  12.4813     42.3218     2.61119     222.322     
1 1 1 22 16 29 o 10.7556 3.69595 -0.110547    0.669393  -0.852334    0.630162  2.30875     64.2576     15.1128     244.258     
1 1 1 22 16 30 o 18.4561 5.1451  0.746981     0.787826  1.70364      0.757775  21.7088     109.722     9.13993     109.722     
1 1 1 22 16 31 o 15.2517 4.5178  1.58547      0.748433  -0.685964    0.656546  8.12408     81.9834     5.1522      81.9834     
1 1 1 22 16 32 o 11.7909 4.00162 0.0596398    0.711373  -0.406893    0.709509  8.76502     113.512     1.18508     293.512     
1 1 1 22 16 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 17 0  o 32.746  5.28984 2.53198      0.782263  2.53198      0.782263  37.8648     3.71614e-06 3.46898     180         
1 1 1 22 17 1  o 26.5694 4.89469 1.2216       0.701785  2.39599      0.721995  38.971      225.887     17.6526     225.887     
1 1 1 22 17 2  o 11.696  3.81526 0.0779116    0.574006  -0.456325    0.508607  6.40482     107.673     11.2179     287.673     
1 1 1 22 17 3  o 15.5895 4.57397 0.718629     0.63395   0.0957552    0.615524  15.4218     301.867     2.08152     121.867     
1 1 1 22 17 4  o 18.3237 4.95258 0.93582      0.673031  0.706849     0.641082  17.4235     109.631     5.71522     289.631     
1 1 1 22 17 5  o 19.6683 4.94188 0.578015     0.659494  1.35988      0.668129  27.9233     286.949     16.1225     286.949     
1 1 1 22 17 6  o 36.7365 4.46798 3.43621      0.82021   2.95974      0.816761  49.8908     43.4355     13.247      43.4355     
1 1 1 22 17 7  o 38.702  4.39178 3.59857      0.848468  3.44772      0.853451  52.959      83.5724     14.6182     83.5724     
1 1 1 22 17 8  o 25.0928 5.16946 2.12825      0.741828  1.25618      0.735907  30.7135     278.807     4.42814     278.807     
1 1 1 22 17 9  o 12.6024 4.01544 0.363802     0.591961  -0.568301    0.56638   11.4937     88.3388     1.23399     88.3388     
1 1 1 22 17 10 o 30.4198 4.75137 1.4097       0.751332  3.40052      0.775507  33.8151     326.193     3.16474     146.193     
1 1 1 22 17 11 o 15.4163 4.58596 0.60491      0.649422  0.288612     0.600254  17.1468     233.379     7.19117     233.379     
1 1 1 22 17 12 o 15.4302 4.6023  0.439501     0.635808  0.47875      0.624137  11.7268     220.288     9.20936     40.2885     
1 1 1 22 17 13 o 10.6989 3.61659 -0.242036    0.581865  -0.643629    0.549151  6.38513     309.497     4.96807     129.497     
1 1 1 22 17 14 o 15.6228 4.64978 0.114934     0.658967  0.818811     0.666271  13.0646     90.5056     6.25609     270.506     
1 1 1 22 17 15 o 12.9014 4.16513 -0.130111    0.622074  0.16236      0.622881  7.06718     204.453     11.7767     24.4531     
1 1 1 22 17 16 o 17.7546 4.89078 0.49764      0.674519  1.15686      0.669756  15.2065     103.533     10.6787     103.533     
1 1 1 22 17 17 o 8.52791 3.0025  -1.24964     0.536498  -0.811083    0.518119  2.1462      159.212     3.25251     339.212     
1 1 1 22 17 18 o 19.0927 5.16566 1.19362      0.739095  1.00831      0.688326  23.5404     270.515     8.66629     270.515     
1 1 1 22 17 19 o 21.2547 5.36265 1.64511      0.76846   1.23573      0.732077  29.4873     340.974     19.1637     340.974     
1 1 1 22 17 20 o 19.0518 5.16808 1.05699      0.755879  1.21452      0.688193  10.9515     310.926     8.47503     310.926     
1 1 1 22 17 21 o 10.4869 3.59369 -0.169894    0.618797  -0.947394    0.595315  5.95088     294.809     4.45817     114.809     
1 1 1 22 17 22 o 15.0013 4.62204 -1.11949     0.808711  1.30312      0.784128  14.8206     97.428      4.68061     97.428      
1 1 1 22 17 23 o 12.6807 4.23548 0.66532      0.814047  -0.919156    0.628577  9.20411     73.6176     0.260247    73.6176     
1 1 1 22 17 24 o 10.9943 3.75033 -0.234947    0.665403  -0.533565    0.609001  5.06192     195.034     1.64304     15.0338     
1 1 1 22 17 25 o 12.971  4.25581 0.399497     0.718359  -0.206526    0.654554  9.11713     132.472     1.23356     312.472     
1 1 1 22 17 26 o 13.6129 4.3485  0.479257     0.655954  0.0833908    0.663791  7.91756     152.449     2.87094     152.449     
1 1 1 22 17 27 o 13.6714 4.40811 0.502091     0.71385   0.122688     0.670631  11.2394     53.3493     1.04429     53.3493     
1 1 1 22 17 28 o 13.967  4.48816 0.419472     0.72754   0.403116     0.690303  3.64124     155.108     1.91137     155.108     
1 1 1 22 17 29 o 9.5074  3.32278 -0.821479    0.618399  -0.657145    0.58386   3.56929     63.0268     2.13589     243.027     
1 1 1 22 17 30 f 11.0448 3.73084 -1.20213     0.636147  0.323688     0.624546  5.06806     169.589     0           0           
1 1 1 22 17 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 18 0  o 9.98803 4.58818 0.123048     0.568668  0.123048     0.568668  6.70915     180         1.38029     360         
1 1 1 22 18 1  o 16.6441 4.54397 1.0707       0.614739  0.0638491    0.595601  20.1078     247.436     8.12657     247.436     
1 1 1 22 18 2  o 30.8091 4.87559 2.37238      0.75945   2.44869      0.758975  41.4104     194.059     11.9936     194.059     
1 1 1 22 18 3  o 27.8147 4.98231 2.45063      0.741097  1.62331      0.721232  43.71       0.950277    25.9841     0.950277    
1 1 1 22 18 4  o 18.3441 4.87142 0.643594     0.638113  1.0716       0.638798  18.7578     70.6801     1.94976     250.68      
1 1 1 22 18 5  o 21.5335 4.64949 2.01553      0.683269  0.34999      0.645412  24.8081     84.9213     1.93324     84.9213     
1 1 1 22 18 6  o 12.8857 4.07762 -0.0052251   0.568113  0.160662     0.554742  11.3886     154.703     0.915935    154.703     
1 1 1 22 18 7  o 16.6914 4.73766 0.747788     0.634073  0.571766     0.618707  13.9494     254.832     9.36553     254.832     
1 1 1 22 18 8  o 17.9888 4.82149 1.16001      0.654813  0.497047     0.620394  22.2683     170.964     9.46449     170.964     
1 1 1 22 18 9  o 15.3148 4.35902 1.01188      0.616619  -0.256285    0.569599  16.4321     354.173     6.8034      354.173     
1 1 1 22 18 10 o 11.256  3.72905 -0.0393924   0.541258  -0.476236    0.566253  1.99105     90.1596     0.46158     90.1596     
1 1 1 22 18 11 o 14.4701 4.46189 0.296827     0.636369  0.368167     0.624057  14.1372     287.55      4.11415     287.55      
1 1 1 22 18 12 o 14.1374 4.35558 0.513864     0.608031  0.0443211    0.611253  13.3423     324.399     1.03949     324.399     
1 1 1 22 18 13 o 10.6407 3.59411 -0.272147    0.556143  -0.506611    0.558791  5.1695      201.441     8.518       21.4409     
1 1 1 22 18 14 o 15.1481 4.59557 0.229424     0.6806    0.668143     0.639338  6.23098     87.2681     3.93569     87.2681     
1 1 1 22 18 15 o 14.2899 4.4659  0.628885     0.697922  0.00235802   0.613703  13.9319     159.936     2.74216     159.936     
1 1 1 22 18 16 o 14.4006 4.50475 0.493886     0.693446  0.217644     0.632906  13.4908     328.079     0.203775    148.079     
1 1 1 22 18 17 o 12.0561 3.95426 0.434164     0.645274  -0.813451    0.577499  8.94421     60.8998     3.61311     240.9       
1 1 1 22 18 18 o 9.31815 3.25439 -0.594596    0.582126  -1.06571     0.553913  2.26718     11.5438     0.921519    191.544     
1 1 1 22 18 19 o 12.2195 3.98933 0.533555     0.648726  -0.857542    0.593612  4.88083     41.4939     14.347      221.494     
1 1 1 22 18 20 o 14.3703 4.48443 -0.0321359   0.675833  0.744971     0.675872  13.1114     156.388     2.63139     156.388     
1 1 1 22 18 21 o 13.7949 4.32772 -0.101578    0.656863  0.633858     0.626383  7.53195     43.397      12.1129     223.397     
1 1 1 22 18 22 o 13.2187 4.38017 -0.493134    0.846558  0.414932     0.728721  9.55015     137.742     1.9271      317.742     
1 1 1 22 18 23 o 12.6233 4.23687 -0.183815    0.863949  0.00265946   0.647212  7.84655     41.0074     5.74292     221.007     
1 1 1 22 18 24 o 11.4542 3.85843 -0.429138    0.664971  -0.0454459   0.612235  6.49129     15.3287     2.16618     195.329     
1 1 1 22 18 25 o 15.8984 4.80335 1.17552      0.746621  0.307155     0.696257  11.6674     68.1771     8.45828     248.177     
1 1 1 22 18 26 o 10.1093 3.5017  0.0488709    0.637897  -1.43989     0.581552  2.63779     17.9302     0.496745    197.93      
1 1 1 22 18 27 o 13.1754 4.29963 0.390079     0.71203   0.136285     0.655824  10.4368     102.483     2.37468     282.483     
1 1 1 22 18 28 o 11.4807 3.8833  -0.243027    0.684377  -0.105688    0.62763   7.46758     203.91      0.975191    203.91      
1 1 1 22 18 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 19 0  o 36.1692 5.16507 3.10306      0.857927  3.10306      0.857927  47.7028     1.24891e-05 9.53857     1.24891e-05 
1 1 1 22 19 1  o 14.6096 4.44111 0.495315     0.617101  0.244068     0.599992  14.2882     117.734     1.8855      117.734     
1 1 1 22 19 2  o 14.8676 4.41571 0.0751875    0.601142  0.702171     0.593478  10.1403     349.739     5.86454     349.739     
1 1 1 22 19 3  o 16.5597 4.73442 0.761141     0.641208  0.587611     0.61903   15.2455     220.844     9.57762     220.844     
1 1 1 22 19 4  o 17.565  3.38868 1.90945      0.578129  -1.71143     0.495468  22.6091     148.904     9.80988     148.904     
1 1 1 22 19 5  o 12.4917 4.00064 0.122377     0.567514  -0.0344633   0.548156  8.94957     86.8893     2.41051     86.8893     
1 1 1 22 19 6  o 28.5569 5.04741 1.62108      0.748333  2.94924      0.794209  41.1411     52.4881     18.8972     52.4881     
1 1 1 22 19 7  o 16.0345 4.75408 -0.237813    0.621969  1.30828      0.795505  16.8355     65.2849     2.68829     65.2849     
1 1 1 22 19 8  o 15.4124 4.73435 0.231806     0.614878  0.79229      0.78517   15.9326     323.445     3.45185     323.445     
1 1 1 22 19 9  o 11.4818 3.86384 -0.273304    0.554931  -0.338802    0.702042  6.81279     346.215     7.24103     166.215     
1 1 1 22 19 10 o 13.5929 4.34255 -0.363524    0.595924  0.642941     0.725781  7.92824     278.21      3.94463     278.21      
1 1 1 22 19 11 o 16.0828 4.85696 0.570703     0.669964  0.715755     0.761849  17.4308     238.663     4.76531     238.663     
1 1 1 22 19 12 o 20.747  5.44753 2.08348      0.861516  0.720794     0.822679  21.722      330.523     1.04678     150.523     
1 1 1 22 19 13 o 14.5369 4.65252 0.397689     0.755918  0.266173     0.749649  13.3886     117.411     0.881841    297.411     
1 1 1 22 19 14 o 20.5578 5.66606 1.6903       0.889278  1.34277      0.856321  26.4545     102.972     17.2512     102.972     
1 1 1 22 19 15 o 20.1365 5.72587 1.57925      0.910627  1.469        0.921051  25.3374     56.5372     12.1734     56.5372     
1 1 1 22 19 16 o 13.4735 4.3972  -0.396391    0.690035  0.598834     0.764393  9.94339     8.05033     3.28261     8.05033     
1 1 1 22 19 17 o 13.4702 4.26359 -0.987552    0.633692  0.951545     0.714845  11.0449     139.945     0.309005    319.945     
1 1 1 22 19 18 o 11.5712 3.88889 -0.156556    0.61298   -0.273439    0.658663  6.66033     211.568     4.48388     31.5677     
1 1 1 22 19 19 o 17.557  4.93625 1.51507      0.726812  0.263398     0.76574   18.0051     289.112     2.42783     289.112     
1 1 1 22 19 20 o 14.0884 4.44273 -0.109184    0.642299  0.776906     0.706098  8.35153     33.0455     3.26994     33.0455     
1 1 1 22 19 21 o 9.63702 3.30615 0.0910508    0.532801  -2.01541     0.578298  2.92264     53.4251     3.37434     233.425     
1 1 1 22 19 22 o 12.2445 3.97767 0.694046     0.633765  -1.91443     0.763457  2.72764     131.044     0.836969    131.044     
1 1 1 22 19 23 o 17.726  5.27712 2.18327      0.952925  -0.214892    0.949763  14.7312     124.405     6.49539     304.405     
1 1 1 22 19 24 o 17.3955 4.80651 0.220169     0.70516   1.65696      0.711902  19.9756     129.023     9.50977     129.023     
1 1 1 22 19 25 o 11.7326 3.92746 -0.0166776   0.649947  -0.113128    0.618863  7.33803     80.8322     5.89082     260.832     
1 1 1 22 19 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 19 27 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 20 0  o 11.4549 5.09027 0.37464      0.632256  0.37464      0.632256  9.41557     360         1.27277     360         
1 1 1 22 20 1  o 12.3061 3.92263 -0.282668    0.535059  0.338305     0.549563  2.20626     271.093     0.993116    271.093     
1 1 1 22 20 2  o 14.8988 4.4341  0.873188     0.63979   -0.0112845   0.576502  15.5117     255.247     5.24535     255.247     
1 1 1 22 20 3  o 13.4412 4.21836 0.240485     0.584529  0.225124     0.588156  11.495      316.609     2.04043     136.609     
1 1 1 22 20 4  o 14.0837 4.45852 0.207805     0.596399  0.389084     0.738495  8.60877     155.707     4.66851     155.707     
1 1 1 22 20 5  o 12.3202 4.06724 0.146399     0.568179  -0.557534    0.781682  8.64369     121.767     2.47189     121.767     
1 1 1 22 20 6  o 20.9509 5.80435 1.82048      0.91565   1.36886      0.942413  24.211      132.844     4.61249     132.844     
1 1 1 22 20 7  o 15.5102 4.83115 0.975356     0.788216  -0.0540807   0.78758   12.398      7.70004     6.82548     187.7       
1 1 1 22 20 8  o 13.4789 4.263   0.835235     0.717107  -0.466526    0.529732  10.8865     216.49      4.30779     216.49      
1 1 1 22 20 9  o 18.1851 5.11177 0.937704     0.839426  1.10169      0.648553  20.7258     308.922     5.42313     308.922     
1 1 1 22 20 10 o 9.00898 3.131   -0.781753    0.549726  -0.601473    0.466595  2.93113     267.466     4.80572     87.4659     
1 1 1 22 20 11 o 11.1272 3.70725 -0.666289    0.641522  0.0588988    0.518914  6.61609     184.547     1.5644      4.54745     
1 1 1 22 20 12 o 12.3681 3.88853 0.810233     0.615837  -1.1153      0.503025  7.67707     197.542     1.7345      197.542     
1 1 1 22 20 13 o 14.508  4.24901 -0.325773    0.602083  0.959186     0.585589  13.3955     120.018     3.42278     120.018     
1 1 1 22 20 14 o 8.55412 2.9942  -0.551122    0.499231  -1.04993     0.482315  1.30741     354.847     4.66821     174.847     
1 1 1 22 20 15 f 10.8173 3.56562 -0.935925    0.529803  0.282848     0.519832  9.54907     249.309     0           0           
1 1 1 22 20 16 o 15.5763 4.48987 -0.00925284  0.627505  1.11781      0.628663  12.9959     25.6073     3.79101     205.607     
1 1 1 22 20 17 o 16.1104 4.30822 -0.641982    0.642837  1.46311      0.631199  15.5844     339.842     0.756658    339.842     
1 1 1 22 20 18 o 17.5657 4.61403 1.69649      0.690956  -0.0118174   0.617244  19.7769     26.9147     7.72793     26.9147     
1 1 1 22 20 19 o 18.2763 4.94925 1.60602      0.723581  0.578438     0.654464  20.9247     280.632     11.6145     280.632     
1 1 1 22 20 20 o 13.9059 4.42752 0.664735     0.737358  0.153742     0.59618   11.8168     32.4224     2.71459     32.4224     
1 1 1 22 20 21 o 11.153  3.76758 0.0413911    0.654958  -0.406473    0.552478  2.07059     140.228     0.397305    140.228     
1 1 1 22 20 22 o 14.5319 4.63371 0.474243     0.756911  0.603765     0.72336   9.65481     300.064     5.19225     300.064     
1 1 1 22 20 23 o 12.9721 4.34077 -0.398598    0.978866  0.327609     0.671008  7.71415     168.765     9.3622      348.765     
1 1 1 22 20 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 21 0  o 8.3154  3.98715 -0.083876    0.513638  -0.083876    0.513638  1.17883     3.47878e-05 11.0552     180         
1 1 1 22 21 1  o 11.8303 3.83193 0.371146     0.521441  -1.07055     0.703108  7.43834     43.3609     0.236803    43.361      
1 1 1 22 21 2  o 16.4954 4.90145 0.41599      0.607801  1.19108      0.808813  16.0332     328.684     0.150633    328.683     
1 1 1 22 21 3  o 14.7342 4.64797 -0.0197783   0.716696  0.810229     0.757372  13.598      291.915     2.97543     291.915     
1 1 1 22 21 4  o 12.7089 4.10129 0.522242     0.666797  -0.340429    0.537302  9.19348     101.187     3.16678     281.187     
1 1 1 22 21 5  o 13.0259 4.09261 -0.605962    0.675683  0.591098     0.564436  9.87037     120.787     1.42711     120.787     
1 1 1 22 21 6  o 16.519  4.6849  1.57077      0.760237  -0.148864    0.582046  17.512      147.307     6.67413     147.307     
1 1 1 22 21 7  o 8.30535 2.90387 -0.548396    0.480399  -0.861865    0.418313  0.170733    127.016     0.491816    307.016     
1 1 1 22 21 8  o 14.2418 4.32266 0.115539     0.576495  0.697286     0.596974  12.2279     119.948     2.23288     119.948     
1 1 1 22 21 9  o 12.8223 4.09159 0.263771     0.581267  0.090836     0.574387  8.98846     154.363     0.461868    334.363     
1 1 1 22 21 10 o 20.1273 4.69933 1.98559      0.686653  0.433415     0.614252  25.2832     262.821     12.7643     262.821     
1 1 1 22 21 11 o 17.6248 4.75779 1.21547      0.631458  0.639243     0.609258  19.08       215.187     5.82817     215.187     
1 1 1 22 21 12 o 14.9558 4.33899 1.05977      0.616482  -0.117178    0.558026  11.8493     244.88      5.26457     244.88      
1 1 1 22 21 13 o 15.3401 4.5451  0.508841     0.623452  0.718255     0.600258  12.9522     110.453     3.02738     290.453     
1 1 1 22 21 14 o 12.8536 4.02223 -0.337561    0.57855   0.594615     0.555401  6.01251     185.648     2.00794     185.648     
1 1 1 22 21 15 o 17.4988 4.89076 1.07096      0.689216  0.904787     0.62289   19.3443     44.1684     9.40038     44.1684     
1 1 1 22 21 16 o 15.9217 4.67387 1.03866      0.673297  0.463729     0.610569  15.9922     185.402     6.916       185.402     
1 1 1 22 21 17 o 8.85633 3.07758 -0.813322    0.512896  -0.472861    0.475259  2.47143     270.7       5.33171     90.7004     
1 1 1 22 21 18 o 9.36669 3.23248 -0.0678827   0.540731  -0.944558    0.449858  0.771229    36.2368     0.279585    216.237     
1 1 1 22 21 19 o 20.7623 5.28343 1.69262      0.766174  1.43045      0.684811  20.9317     202.366     1.24837     22.3658     
1 1 1 22 21 20 o 15.9282 4.71135 0.875733     0.679412  0.726967     0.622891  16.3189     89.074      2.83129     89.074      
1 1 1 22 21 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 21 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 22 0  o 17.3284 6.58838 1.27881      0.816884  1.27881      0.816884  21.0593     180         11.7271     180         
1 1 1 22 22 1  o 14.7375 4.67855 0.727383     0.74936   0.111198     0.765166  12.5877     81.8642     0.37715     81.8642     
1 1 1 22 22 2  o 18.9566 4.91737 0.697258     0.785158  1.45433      0.6229    22.099      191.935     8.82705     191.935     
1 1 1 22 22 3  o 9.63547 3.32383 -0.342006    0.594112  -0.630511    0.446216  2.83908     295.917     6.50606     115.917     
1 1 1 22 22 4  o 13.5935 4.06928 -0.178096    0.524292  0.746359     0.54255   10.4044     168.928     2.41024     168.928     
1 1 1 22 22 5  f 22.7431 5.06205 2.01433      0.696429  1.23447      0.684577  18.0711     288.848     0           0           
1 1 1 22 22 6  o 21.5226 4.88902 1.94445      0.669083  0.920542     0.661464  26.2194     332.169     8.79033     332.169     
1 1 1 22 22 7  o 10.5048 3.49911 -0.160237    0.494139  -0.197006    0.491074  2.29602     50.6718     0.414358    230.672     
1 1 1 22 22 8  o 12.6132 4.01967 0.182315     0.547319  0.187076     0.562023  9.00969     57.1573     0.349626    237.157     
1 1 1 22 22 9  o 14.4358 4.08125 1.07078      0.558503  -0.411666    0.536149  4.31582     251.14      2.46841     251.14      
1 1 1 22 22 10 o 13.4456 4.16931 0.499181     0.572097  0.187143     0.547203  11.0255     265.82      1.1961      265.82      
1 1 1 22 22 11 o 16.0439 4.46683 1.24406      0.616235  0.13676      0.57696   14.4125     104.836     2.44735     284.836     
1 1 1 22 22 12 o 14.2689 4.30325 0.96137      0.638862  -0.00146931  0.518636  13.0217     311.705     1.89556     311.705     
1 1 1 22 22 13 o 14.9464 4.51848 0.575786     0.672072  0.656918     0.580569  9.49551     192.928     5.46176     192.928     
1 1 1 22 22 14 o 19.4053 4.27872 -0.200011    0.716268  2.05388      0.624471  24.5578     259.243     11.0729     259.243     
1 1 1 22 22 15 o 13.3922 3.9217  -1.21108     0.577238  1.07024      0.569799  7.11697     240.089     3.81517     240.089     
1 1 1 22 22 16 o 16.853  4.74248 0.0528744    0.726727  1.55264      0.700781  19.1812     20.9711     9.94443     20.9711     
1 1 1 22 22 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 22 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 23 0  o 17.5727 6.59997 1.35959      0.810972  1.35959      0.810972  23.877      180         12.5728     180         
1 1 1 22 23 1  o 13.6515 4.31264 0.98999      0.705606  -0.613405    0.639914  11.4311     315.994     0.344009    135.994     
1 1 1 22 23 2  o 7.38976 2.6287  -1.06476     0.514091  -0.788534    0.352264  0.36501     107.209     4.2232      287.209     
1 1 1 22 23 3  o 10.1047 3.39025 -0.0844735   0.479286  -0.372191    0.482155  4.71239     144.267     2.63891     324.267     
1 1 1 22 23 4  o 15.5639 4.50521 0.563909     0.571145  0.84454      0.591524  12.1836     178.057     7.21529     178.057     
1 1 1 22 23 5  o 13.6885 4.13656 0.0692906    0.540195  0.702256     0.542117  9.8975      201.032     4.46637     201.032     
1 1 1 22 23 6  o 13.413  4.13181 0.442517     0.546403  0.316196     0.532167  10.7964     289.419     3.76429     289.419     
1 1 1 22 23 7  f 14.4743 4.15689 -0.268366    0.560166  1.05504      0.564173  10.4212     149.69      0           0           
1 1 1 22 23 8  o 13.0598 4.1277  0.0852621    0.564391  0.480198     0.588004  9.09422     142.628     3.60928     142.628     
1 1 1 22 23 9  f 13.149  4.09937 -0.0825753   0.548395  0.639509     0.577291  5.90051     172.35      0           0           
1 1 1 22 23 10 o 12.0393 3.86361 0.0563174    0.507235  0.229016     0.538933  6.27604     44.1802     2.32993     44.1802     
1 1 1 22 23 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 23 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 23 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 24 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 24 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 24 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 24 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 24 4  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 22 24 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 0  1  o 7.84237 3.90254 -0.640252    0.620054  -0.640252    0.620054  15.7351     90          51.7768     90          
1 1 1 23 0  2  o 7.67962 3.83869 -0.704489    0.621853  -0.704489    0.621853  0.617119    180         6.41705     3.59691e-05 
1 1 1 23 0  3  o 11.7735 5.28381 0.168359     0.700394  0.168359     0.700394  5.05486     270         41.3841     270         
1 1 1 23 0  4  o 50.9527 3.84359 5.10259      0.986082  5.10259      0.986082  90.761      180         45.1157     180         
1 1 1 23 0  5  o 50.4762 3.92847 5.02654      0.996177  5.02654      0.996177  65.4478     90          4.15492     270         
1 1 1 23 0  6  o 18.8393 6.59674 1.07322      0.775244  1.07322      0.775244  20.2671     0           9.67014     180         
1 1 1 23 0  7  o 34.6067 6.68544 2.84185      1.03667   2.84185      1.03667   44.597      90          3.25111     270         
1 1 1 23 0  8  o 11.0244 5.22904 -0.193493    0.838693  -0.193493    0.838693  8.08859     180         1.76862     8.65049e-06 
1 1 1 23 0  9  o 36.081  6.62131 3.05492      1.07006   3.05492      1.07006   45.9443     90          4.29227     270         
1 1 1 23 0  10 o 16.0597 6.58956 0.743568     0.897296  0.743568     0.897296  15.8986     180         10.2932     8.65151e-06 
1 1 1 23 0  11 o 7.83791 3.97847 -1.16243     0.771751  -1.16243     0.771751  0.800629    90          3.88298     270         
1 1 1 23 0  12 o 21.765  6.85245 1.40474      0.818725  1.40474      0.818725  34.12       180         10.8342     180         
1 1 1 23 0  13 o 9.27675 4.47476 -0.303123    0.667353  -0.303123    0.667353  3.88035     270         3.98776     90          
1 1 1 23 0  14 o 25.8771 6.95979 1.85278      0.877925  1.85278      0.877925  49.169      180         30.4519     180         
1 1 1 23 0  15 f 40.012  6.17874 3.63973      1.12244   3.63973      1.12244   53.6545     90          0           0           
1 1 1 23 0  16 f 11.5273 5.35921 0.018035     0.810495  0.018035     0.810495  20.4291     180         0           0           
1 1 1 23 0  17 f 19.0159 7.07437 1.18782      0.924606  1.18782      0.924606  22.6061     90          0           0           
1 1 1 23 0  18 o 42.5717 5.60411 3.99334      1.11092   3.99334      1.11092   67.3312     180         22.979      180         
1 1 1 23 0  19 o 33.1891 6.27574 2.65959      0.93285   2.65959      0.93285   50.9928     90          15.1284     90          
1 1 1 23 0  20 f 10.2553 4.85027 -0.107378    0.712335  -0.107378    0.712335  3.96172     180         0           0           
1 1 1 23 0  21 o 36.8248 5.43594 3.05005      0.914583  3.05005      0.914583  46.9638     90          1.93866     270         
1 1 1 23 0  22 o 17.0801 6.53898 0.974903     0.809962  0.974903     0.809962  23.9265     180         4.73188     180         
1 1 1 23 0  23 o 13.4363 5.7843  0.495702     0.755894  0.495702     0.755894  3.50792     90.0001     2.05001     90.0001     
1 1 1 23 0  24 o 19.2822 6.80083 1.26273      0.826672  1.26273      0.826672  33.4159     180         19.8881     180         
1 1 1 23 0  25 o 19.0693 6.7843  1.25755      0.826206  1.25755      0.826206  28.3248     90          8.03997     90          
1 1 1 23 0  26 o 32.5681 5.96416 2.62473      0.870048  2.62473      0.870048  69.5033     3.50013e-06 55.6503     3.50013e-06 
1 1 1 23 0  27 o 41.7407 4.98502 3.91216      0.986224  3.91216      0.986224  77.041      90          47.4576     90          
1 1 1 23 0  28 o 16.3331 6.44418 0.996958     0.812815  0.996958     0.812815  15.4827     1.23677e-05 11.6053     1.23677e-05 
1 1 1 23 0  29 o 14.0288 6.02195 0.680066     0.81421   0.680066     0.81421   19.2041     90          8.04185     90          
1 1 1 23 0  30 o 10.4413 4.97654 -0.00984088  0.777007  -0.00984088  0.777007  9.08319     6.36608e-06 2.74252     180         
1 1 1 23 0  31 f 11.6922 5.39617 0.297085     0.799671  0.297085     0.799671  4.29123     270         0           0           
1 1 1 23 0  32 o 8.71149 4.36695 -0.64603     0.824501  -0.64603     0.824501  4.0276      180         6.27489     8.68633e-06 
1 1 1 23 0  33 o 10.3975 5.03626 -0.0647597   0.864804  -0.0647597   0.864804  7.55893     270         0.163334    90          
1 1 1 23 0  34 o 10.2321 4.92096 0.00503197   0.794521  0.00503197   0.794521  8.15071     180         1.63836     8.76707e-06 
1 1 1 23 0  35 o 12.7862 5.74601 0.615        0.831535  0.615        0.831535  11.2462     90          5.0116      90          
1 1 1 23 0  36 o 20.5396 7.05841 1.7568       0.881055  1.7568       0.881055  34.1803     5.37646e-06 20.988      5.37646e-06 
1 1 1 23 0  37 o 6.64039 3.43106 -1.3381      0.724114  -1.3381      0.724114  0.260117    270         2.58702     270         
1 1 1 23 0  38 o 7.76221 3.93988 -0.786501    0.756519  -0.786501    0.756519  0.984096    180         16.0098     180         
1 1 1 23 0  39 o 11.0945 5.62132 -0.406408    1.51157   -0.406408    1.51157   3.37613     270         0.561276    270         
1 1 1 23 0  40 o 8.92928 4.58767 -1.21713     1.18928   -1.21713     1.18928   4.08445     4.40684e-06 7.53681     180         
1 1 1 23 0  41 o 15.895  6.54016 1.30499      0.887821  1.30499      0.887821  18.596      270         0.20443     90          
1 1 1 23 0  42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 1  0  o 28.3681 5.98947 1.92918      0.766737  1.92918      0.766737  54.4189     270         32.9339     270         
1 1 1 23 1  1  o 43.7693 4.23924 4.32899      0.935991  3.498        0.926849  65.9069     164.587     16.8523     164.587     
1 1 1 23 1  2  o 36.9505 4.58836 2.97774      0.846602  2.71529      0.845997  46.893      44.2628     2.80132     224.263     
1 1 1 23 1  3  o 28.079  5.3668  1.7886       0.800893  1.68017      0.798888  43.1389     256.46      16.1153     256.46      
1 1 1 23 1  4  o 16.7581 4.97534 0.399905     0.755203  0.117009     0.710295  18.4106     170.571     0.948545    350.571     
1 1 1 23 1  5  o 15.8716 4.85104 -0.216968    0.711889  0.361077     0.769149  16.5342     194.136     8.25325     194.136     
1 1 1 23 1  6  o 39.8196 4.83429 3.06827      0.94022   3.63848      0.982166  54.0803     127.549     4.16516     127.549     
1 1 1 23 1  7  o 54.0867 4.109   4.97072      1.07859   6.96378      1.17418   66.3431     156.736     10.3392     336.736     
1 1 1 23 1  8  o 16.7835 5.05615 0.0917281    0.742377  0.352528     0.805247  19.4947     304.62      2.3807      304.62      
1 1 1 23 1  9  o 31.997  5.81683 1.47554      1.01515   3.26293      1.02695   42.141      165.133     2.56171     165.133     
1 1 1 23 1  10 o 17.1726 5.14763 0.342831     0.813161  0.21941      0.775682  20.8339     136.023     10.4847     136.023     
1 1 1 23 1  11 o 14.2433 4.6216  -0.133835    0.811615  -0.491997    0.739208  13.0349     150.117     4.75548     150.117     
1 1 1 23 1  12 o 21.3936 5.6936  0.399737     0.953482  1.3201       0.856203  28.8185     9.93612     7.60709     9.93612     
1 1 1 23 1  13 o 27.143  5.80336 1.7282       0.914557  1.73123      0.857913  32.2806     35.689      3.48891     215.689     
1 1 1 23 1  14 o 12.4324 4.15254 -1.13205     0.759304  -0.262941    0.685736  9.04332     270.167     1.65813     270.167     
1 1 1 23 1  15 o 23.1279 5.74603 1.23374      0.882563  1.22057      0.825124  27.6866     2.31607     0.861639    182.316     
1 1 1 23 1  16 o 25.9891 5.18777 2.75733      0.910556  0.269209     0.828991  31.7352     225.32      1.24587     45.3202     
1 1 1 23 1  17 o 14.4444 4.57562 0.188129     0.71094   -0.427131    0.730722  14.6471     103.915     0.104663    103.915     
1 1 1 23 1  18 o 26.3645 5.58295 2.31249      0.866704  0.992478     0.89858   33.6576     346.188     2.30832     346.188     
1 1 1 23 1  19 o 21.5472 5.1901  -0.284182    0.773239  2.07236      0.900123  32.0913     206.811     15.5749     206.811     
1 1 1 23 1  20 o 31.0423 5.40595 3.40088      0.933098  1.30388      0.928438  38.839      206.195     0.209208    26.195      
1 1 1 23 1  21 o 18.0899 5.26022 0.228075     0.774143  0.875493     0.835739  23.9543     118.011     10.9463     118.011     
1 1 1 23 1  22 o 11.415  3.86723 -0.0403747   0.699684  -1.78167     0.641039  8.61877     262.294     3.82735     82.2945     
1 1 1 23 1  23 o 23.918  5.66103 1.24658      0.83141   1.70189      0.836509  36.4227     240.853     17.2425     240.853     
1 1 1 23 1  24 o 14.006  4.41223 -1.22014     0.725198  0.598386     0.722054  15.0124     74.4737     1.48014     74.4737     
1 1 1 23 1  25 o 12.1959 4.05882 -1.27082     0.669316  0.118376     0.701981  11.5186     243.41      1.89333     243.41      
1 1 1 23 1  26 o 26.1455 5.34433 1.00179      0.821955  2.65212      0.854037  44.6439     69.3207     28.8832     69.3207     
1 1 1 23 1  27 o 21.8893 5.20197 0.214887     0.821308  2.17563      0.830001  33.3535     357.857     16.777      357.857     
1 1 1 23 1  28 o 13.6202 4.45522 -0.179338    0.742552  0.0342403    0.743173  14.7619     91.9804     1.78828     91.9804     
1 1 1 23 1  29 o 14.3873 4.58796 0.648291     0.781705  -0.513123    0.716942  13.6394     123.5       7.89028     123.5       
1 1 1 23 1  30 o 26.7562 5.83374 2.26488      0.894685  2.16646      0.884147  40.7309     62.1874     19.0442     62.1874     
1 1 1 23 1  31 o 13.9404 4.56356 -0.00757483  0.761286  0.172574     0.798936  12.9262     154.399     2.75273     334.399     
1 1 1 23 1  32 o 17.0249 5.27448 0.848816     0.883785  0.753263     0.895631  20.7986     350.826     10.1636     350.826     
1 1 1 23 1  33 f 12.3575 4.22124 0.313204     0.859554  -1.38561     0.775922  6.92402     313.859     0           0           
1 1 1 23 1  34 o 17.1906 5.06677 -0.03496     0.826904  1.60525      0.833327  21.8062     311.137     11.8436     311.137     
1 1 1 23 1  35 o 11.895  4.07822 -0.0101926   0.779784  -0.924784    0.803737  8.73322     281.524     5.3245      101.524     
1 1 1 23 1  36 o 12.3598 4.19671 -0.329913    0.763932  -0.0391688   0.795622  9.57747     189.527     1.1225      189.527     
1 1 1 23 1  37 o 14.774  4.79061 0.420351     0.839476  0.64728      0.827425  12.0981     227.883     5.62398     47.8827     
1 1 1 23 1  38 o 14.8987 4.81911 1.16196      0.880119  -0.212679    0.854361  14.6534     312.214     3.72886     312.214     
1 1 1 23 1  39 o 12.0146 4.20393 -0.298819    0.850747  -1.02836     1.14433   6.26737     330.82      1.65634     330.82      
1 1 1 23 1  40 f 13.5179 4.64299 -0.203936    1.05142   0.530716     1.01406   6.38092     236.277     0           0           
1 1 1 23 1  41 o 13.5814 4.56464 -0.0700429   0.936698  0.625657     0.849152  13.1846     23.2301     1.45971     23.23       
1 1 1 23 1  42 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 2  0  o 59.2601 4.18562 6.92346      1.25408   6.92346      1.25408   96.3125     90          33.9758     90          
1 1 1 23 2  1  o 24.3523 5.75674 1.48855      0.86224   1.09225      0.857818  31.7079     116.475     3.3262      116.475     
1 1 1 23 2  2  o 13.2499 4.32066 -1.61565     0.755303  0.126136     0.737909  11.0686     53.7361     2.69732     53.7361     
1 1 1 23 2  3  o 10.2515 3.57818 -1.55177     0.661372  -1.12947     0.703768  3.73368     32.2678     12.386      212.268     
1 1 1 23 2  4  o 55.0217 4.25664 6.50755      1.1894    5.82449      1.19445   69.3901     289.929     6.90245     109.929     
1 1 1 23 2  5  o 29.0457 5.89372 1.84296      0.926351  1.99473      0.941705  32.205      198.902     9.79528     18.9024     
1 1 1 23 2  6  o 34.3335 5.742   2.66233      1.00162   2.62653      1.00999   48.6259     188.571     9.09151     188.571     
1 1 1 23 2  7  o 15.6073 4.81474 -0.929229    0.759495  0.574826     0.819491  17.6662     336.769     4.07061     336.769     
1 1 1 23 2  8  o 34.8716 5.24602 2.15112      0.935559  3.20827      0.908387  44.8734     234.653     0.377589    54.6524     
1 1 1 23 2  9  o 40.0283 4.94697 4.90081      1.00328   2.18672      0.929811  41.8906     60.0269     20.8727     240.027     
1 1 1 23 2  10 o 27.7359 5.71851 1.05685      0.901482  2.47742      0.943158  23.1154     134.064     24.6612     314.064     
1 1 1 23 2  11 o 20.2856 5.57379 0.0761896    0.961915  1.20258      0.845805  26.3084     325.732     5.5912      325.732     
1 1 1 23 2  12 o 25.9765 5.81577 0.695512     0.990618  2.31671      0.94534   37.7134     157.469     12.048      157.469     
1 1 1 23 2  13 o 19.513  5.60265 0.682708     0.944896  0.612523     0.826127  26.7314     57.3372     11.5952     57.3372     
1 1 1 23 2  14 o 33.7138 5.14903 1.37539      0.929892  3.8902       0.900967  37.97       165.044     10.6399     345.044     
1 1 1 23 2  15 o 33.1685 5.11182 2.262        0.845815  2.68371      0.8637    46.8025     264.513     9.36201     264.513     
1 1 1 23 2  16 o 16.2206 4.9018  0.244573     0.740658  0.247221     0.720422  18.5304     162.528     2.59635     162.528     
1 1 1 23 2  17 o 26.2454 5.42024 1.16718      0.805503  2.07569      0.812424  45.4213     139.04      32.0828     139.04      
1 1 1 23 2  18 o 21.8464 5.5275  1.09957      0.800838  1.09326      0.784972  23.3587     264.806     6.1355      84.8055     
1 1 1 23 2  19 o 13.7147 4.43745 0.044783     0.75417   -0.475743    0.664155  13.2748     213.23      0.589573    213.23      
1 1 1 23 2  20 o 21.1189 5.37915 0.391308     0.779254  1.55896      0.825484  24.9408     281.235     0.249805    101.235     
1 1 1 23 2  21 o 21.7184 5.21115 1.87546      0.811422  0.0544089    0.831512  28.9339     74.9224     6.69254     74.9224     
1 1 1 23 2  22 o 26.4805 5.79392 1.58285      0.861395  2.03514      0.899924  41.0061     300.882     19.0098     300.882     
1 1 1 23 2  23 o 12.5136 4.18049 -0.0368915   0.713195  -1.34435     0.784742  9.30027     44.0923     7.97587     224.092     
1 1 1 23 2  24 o 24.4971 5.38311 2.25519      0.837752  0.816871     0.804123  41.6096     285.636     30.0505     285.636     
1 1 1 23 2  25 o 31.9875 5.30182 2.70442      0.879059  2.4429       0.849072  40.6528     115.604     1.72022     115.604     
1 1 1 23 2  26 o 22.2313 5.54238 0.908842     0.821496  1.7618       0.828427  32.9708     319.026     15.0096     319.026     
1 1 1 23 2  27 o 16.7955 5.06227 0.301169     0.792903  0.768508     0.778337  21.7934     22.2701     8.13509     22.2701     
1 1 1 23 2  28 o 14.9367 4.74076 -0.0566476   0.780534  0.45056      0.763995  15.3492     320.6       2.09867     140.6       
1 1 1 23 2  29 o 12.5982 4.18725 -1.11477     0.711936  0.284436     0.738381  12.3224     264.564     0.589117    264.564     
1 1 1 23 2  30 o 17.396  5.15429 1.06223      0.797703  0.461553     0.794652  20.2089     353.6       2.34765     353.6       
1 1 1 23 2  31 o 15.2988 4.66664 1.31635      0.813136  -1.23642     0.770906  15.73       39.2183     0.879872    219.218     
1 1 1 23 2  32 o 12.1054 4.12413 -1.42784     0.801382  0.15139      0.784658  10.2516     333.49      0.0779153   333.49      
1 1 1 23 2  33 o 14.5981 4.68399 -0.644207    0.801714  0.971861     0.831349  9.27411     84.3958     5.58392     84.3958     
1 1 1 23 2  34 o 15.8605 4.9313  1.30115      0.848113  -0.238554    0.834455  12.5345     227.623     10.0846     47.6226     
1 1 1 23 2  35 o 14.3099 4.65986 0.464672     0.828093  0.270939     0.766744  4.42852     251.641     2.65004     251.641     
1 1 1 23 2  36 o 17.1605 5.29063 1.28279      0.930854  0.866063     0.837799  19.7855     278.256     5.91103     278.256     
1 1 1 23 2  37 o 14.0063 4.66062 0.349823     0.87342   0.248886     0.866394  12.0998     246.609     2.63903     246.609     
1 1 1 23 2  38 o 13.6102 4.55136 -0.113595    0.83381   0.500134     0.867843  11.4603     313.775     2.25955     133.775     
1 1 1 23 2  39 o 13.1293 4.47053 -0.508283    0.855935  0.584695     0.937051  8.86122     107.739     3.38902     107.739     
1 1 1 23 2  40 f 17.1489 5.39376 2.33927      1.06103   0.261651     0.978574  16.7549     353.296     0           0           
1 1 1 23 2  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 3  0  o 11.0546 5.13234 -0.0249428   0.739418  -0.0249428   0.739418  8.6098      90.0001     2.80587     270         
1 1 1 23 3  1  o 41.0343 5.14637 2.74557      1.03757   4.5527       1.04083   48.3471     188.781     10.8619     8.78096     
1 1 1 23 3  2  o 21.0787 5.1745  1.71485      0.852966  -0.277857    0.772237  15.3624     196.553     22.1285     16.5531     
1 1 1 23 3  3  o 52.6056 4.44662 5.43092      1.19609   5.95636      1.17635   79.6858     33.0723     20.7478     33.0723     
1 1 1 23 3  4  o 26.6891 5.81482 1.97007      0.888954  1.21821      0.922674  40.9737     169.848     16.6422     169.848     
1 1 1 23 3  5  o 35.7706 5.33545 2.22755      0.963877  3.41105      0.958388  35.8693     130.376     21.4693     310.376     
1 1 1 23 3  6  o 25.3871 5.30444 0.642267     0.823208  2.12704      0.81448   26.6442     196.187     10.9281     16.1872     
1 1 1 23 3  7  o 31.0823 4.99364 3.71018      0.926088  0.667145     0.854572  47.8309     177.279     16.8624     177.279     
1 1 1 23 3  8  o 34.2007 5.17484 2.39981      0.906562  2.72281      0.873166  52.1564     262.484     16.8606     262.484     
1 1 1 23 3  9  o 42.2963 4.83321 3.06427      1.0169    4.62086      0.989425  59.5632     206.202     9           206.202     
1 1 1 23 3  10 o 17.0225 4.8232  -0.397228    0.731024  0.875368     0.702268  21.4555     44.6858     10.2184     44.6858     
1 1 1 23 3  11 o 27.9498 5.32843 1.53194      0.786682  2.00412      0.801781  41.3663     147.981     13.2181     147.981     
1 1 1 23 3  12 o 21.1243 5.66047 1.1323       0.898556  0.707533     0.81138   12.3919     15.7639     27.7822     195.764     
1 1 1 23 3  13 o 16.7952 4.937   1.02834      0.855252  -0.884073    0.73384   20.0145     119.018     3.88819     119.018     
1 1 1 23 3  14 o 12.5348 4.16241 -1.86775     0.766833  0.0345002    0.722377  9.03125     47.9794     7.83557     227.979     
1 1 1 23 3  15 o 30.1894 5.20964 2.42731      0.831482  1.74656      0.79511   43.1915     90.9094     10.654      90.9094     
1 1 1 23 3  16 o 20.8556 5.39626 0.917075     0.771241  0.972311     0.751788  20.9953     317.173     8.46522     137.173     
1 1 1 23 3  17 o 13.5043 4.2599  -1.22183     0.658293  0.440374     0.682311  13.0359     342.513     1.08282     342.513     
1 1 1 23 3  18 o 18.1188 5.14043 0.920882     0.755318  0.120599     0.778629  21.7135     221.198     2.76456     221.198     
1 1 1 23 3  19 o 16.5635 4.94075 0.14731      0.738156  0.519674     0.727374  14.3048     192.405     9.58825     12.4049     
1 1 1 23 3  20 o 23.173  5.08136 2.06667      0.786061  0.337011     0.762111  35.6045     264.892     17.3916     264.892     
1 1 1 23 3  21 o 16.6432 4.9141  0.774389     0.742016  -0.115814    0.735821  20.8854     99.1305     9.3017      99.1305     
1 1 1 23 3  22 o 29.0838 5.81925 2.47009      0.922512  1.90352      0.927709  41.717      221.186     12.2331     221.186     
1 1 1 23 3  23 o 16.8816 4.8782  -0.651414    0.782892  1.1191       0.771312  15.4998     174.553     10.8095     174.553     
1 1 1 23 3  24 o 21.8326 5.27683 0.192359     0.779297  2.08239      0.864744  27.3923     244.168     2.87854     244.168     
1 1 1 23 3  25 o 18.0621 5.28651 0.463813     0.787013  0.921729     0.838593  15.6802     300.963     11.1404     120.963     
1 1 1 23 3  26 o 18.9208 5.27819 0.582982     0.794253  1.142        0.767544  27.1468     150.118     14.1726     150.118     
1 1 1 23 3  27 o 21.0221 5.57695 1.23776      0.831658  1.28765      0.813588  18.3342     348.476     13.7563     168.476     
1 1 1 23 3  28 o 20.6489 5.44645 1.71806      0.836608  0.698327     0.802475  28.1494     145.496     9.21014     145.496     
1 1 1 23 3  29 o 16.377  4.91989 0.202958     0.761023  0.875474     0.738646  16.5616     167.111     11.1089     167.111     
1 1 1 23 3  30 o 12.9576 4.28925 0.335779     0.754962  -0.825858    0.725163  11.8496     219.057     1.90927     39.0567     
1 1 1 23 3  31 o 32.359  5.83871 3.7128       1.02558   2.75329      0.953936  49.1335     127.941     21.1311     127.941     
1 1 1 23 3  32 o 13.5088 4.44567 0.506136     0.794414  -0.55517     0.74601   11.9846     250.438     3.40207     70.4381     
1 1 1 23 3  33 o 13.2393 4.45747 0.208296     0.860612  -0.470633    0.827144  10.4439     72.1285     4.63593     72.1285     
1 1 1 23 3  34 o 11.7087 4.02113 0.253302     0.798936  -1.54949     0.743161  9.7408      327.734     1.06451     147.734     
1 1 1 23 3  35 o 12.1709 4.15973 0.356398     0.840065  -1.08976     0.737506  9.14412     358.602     4.76838     178.602     
1 1 1 23 3  36 o 12.6672 4.278   -0.909188    0.827039  0.431567     0.799582  9.59688     282.001     1.73724     282.001     
1 1 1 23 3  37 o 14.0523 4.64251 0.0604305    0.809318  0.597284     0.865621  12.4323     246.963     2.21953     246.963     
1 1 1 23 3  38 o 13.8867 4.62514 1.05224      0.907744  -0.927283    0.901261  12.564      299.268     2.34108     299.268     
1 1 1 23 3  39 o 12.4754 4.28627 -0.892221    0.826285  0.495085     0.909723  3.30312     103.512     1.38492     103.512     
1 1 1 23 3  40 o 12.5544 4.31884 -0.0437371   0.926112  -0.109542    0.865835  4.52452     11.9766     2.11503     11.9766     
1 1 1 23 3  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 4  0  o 16.9159 6.22896 0.861927     0.711366  0.861927     0.711366  17.9563     90          12.0957     90          
1 1 1 23 4  1  o 25.1695 5.04331 0.464658     0.763342  2.21869      0.789338  27.1004     190.032     9.50142     10.0319     
1 1 1 23 4  2  o 20.6114 5.26872 0.715544     0.717623  0.974137     0.733159  30.6747     341.531     17.1936     341.531     
1 1 1 23 4  3  o 16.5358 4.80345 -0.13323     0.702831  0.619438     0.676074  12.7934     104.089     8.13841     104.089     
1 1 1 23 4  4  o 19.8421 5.26887 0.781055     0.772488  0.712231     0.695927  13.2145     307.539     22.8036     127.539     
1 1 1 23 4  5  o 19.8157 5.23122 0.254644     0.755291  1.12794      0.759006  15.0793     283.801     18.7554     103.801     
1 1 1 23 4  6  o 28.1346 5.18017 1.08621      0.784919  2.44524      0.815133  34.0432     325.491     3.40814     145.491     
1 1 1 23 4  7  o 13.3364 4.29767 -0.0211081   0.653873  -0.591812    0.681615  12.2404     48.4087     1.30073     228.409     
1 1 1 23 4  8  o 31.1059 5.22134 2.17278      0.824378  2.11869      0.834186  55.6698     179.133     34.9565     179.133     
1 1 1 23 4  9  o 18.7769 5.21196 0.865972     0.755357  0.293686     0.758401  3.18504     119.028     40.5478     299.028     
1 1 1 23 4  10 o 41.8963 4.52637 4.49751      0.939833  2.97342      0.929221  53.6115     171.807     1.82526     351.807     
1 1 1 23 4  11 o 15.6116 4.75327 0.359767     0.697282  -0.120812    0.718153  14.894      73.9762     7.93496     73.9762     
1 1 1 23 4  12 o 42.136  4.46714 3.88563      0.942248  3.64688      0.947783  48.2421     84.6678     13.1106     264.668     
1 1 1 23 4  13 o 24.3725 5.8198  1.65794      0.9018    1.12543      0.859363  31.6325     270.967     3.9682      270.967     
1 1 1 23 4  14 o 16.961  5.12921 -0.0566372   0.853742  0.525729     0.783652  19.3566     168.021     1.51759     168.021     
1 1 1 23 4  15 o 13.4738 4.44756 -0.11785     0.808194  -0.823827    0.727973  11.0792     60.8493     6.08073     240.849     
1 1 1 23 4  16 o 47.7496 4.23633 5.85748      1.02904   3.86193      0.983416  65.0314     213.401     6.53129     213.401     
1 1 1 23 4  17 o 24.4457 5.11027 0.468317     0.783355  2.22468      0.796454  25.3544     289.393     9.90576     109.393     
1 1 1 23 4  18 o 14.4835 4.43597 0.647911     0.697354  -1.19118     0.711509  10.9476     167.637     5.70323     167.637     
1 1 1 23 4  19 o 46.5673 4.26185 5.34933      1.02044   4.00381      0.97309   77.4147     318.59      35.8889     318.59      
1 1 1 23 4  20 o 14.9102 4.57819 -1.03966     0.719906  0.713398     0.748747  14.435      196.631     3.65175     16.6315     
1 1 1 23 4  21 o 33.7598 5.17346 3.80231      0.931529  1.75477      0.869466  44.0231     267.797     3.20284     267.797     
1 1 1 23 4  22 o 23.485  5.13329 0.300636     0.819765  2.25407      0.81025   24.1568     163.735     9.20951     343.735     
1 1 1 23 4  23 o 16.5155 5.02484 0.353181     0.787139  0.416569     0.768356  14.8029     339.938     8.4783      159.938     
1 1 1 23 4  24 o 15.8639 4.93807 -0.0739414   0.788152  0.552509     0.809965  16.5269     131.338     2.2701      311.338     
1 1 1 23 4  25 o 14.6035 4.61216 -1.24076     0.739854  0.824438     0.823505  11.2779     72.1757     7.08558     72.1757     
1 1 1 23 4  26 o 20.0555 5.5169  0.68208      0.805565  1.46935      0.87524   25.248      62.0465     4.26245     62.0465     
1 1 1 23 4  27 o 22.8251 5.58805 1.0174       0.860602  1.99733      0.838891  16.9153     30.3196     21.6654     210.32      
1 1 1 23 4  28 o 14.2286 4.56569 0.58303      0.776827  -0.58252     0.74038   16.085      119.99      6.76624     119.99      
1 1 1 23 4  29 o 16.3214 4.95931 0.215413     0.777063  0.862733     0.768226  17.8891     30.036      0.210846    30.036      
1 1 1 23 4  30 o 13.2675 4.40495 -0.311158    0.79398   0.060592     0.755227  10.5817     127.693     6.56197     307.693     
1 1 1 23 4  31 o 11.0126 3.81756 -0.849704    0.751447  -0.721923    0.730405  5.84999     68.16       0.966434    68.16       
1 1 1 23 4  32 o 11.9388 4.06901 -0.359068    0.775248  -0.438031    0.722342  10.0113     171.304     0.0392351   351.304     
1 1 1 23 4  33 o 20.7822 5.49942 2.59145      0.958382  0.353643     0.876904  24.4754     91.4214     1.96036     91.4214     
1 1 1 23 4  34 o 13.4848 4.49525 0.559172     0.840773  -0.593697    0.826052  11.4945     252.325     4.44153     72.325      
1 1 1 23 4  35 o 12.2931 4.19596 -0.425531    0.836226  -0.121155    0.780583  8.65435     284.317     6.43061     104.317     
1 1 1 23 4  36 o 12.5418 4.21254 0.585782     0.780283  -1.10197     0.764118  8.61679     291.037     1.70332     291.037     
1 1 1 23 4  37 o 15.1175 4.87037 0.558204     0.843291  0.687577     0.840603  14.898      293.843     2.37574     293.843     
1 1 1 23 4  38 o 14.6183 4.78969 1.24157      0.906167  -0.591333    0.935154  14.2004     317.037     1.81296     317.037     
1 1 1 23 4  39 o 11.2942 3.92988 0.109208     0.809137  -1.41056     0.821069  7.70195     341.221     0.11798     161.221     
1 1 1 23 4  40 o 14.257  4.89853 2.05094      1.21862   -1.73701     0.977176  13.4522     348.803     5.68438     348.803     
1 1 1 23 4  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 5  0  o 30.7567 5.81968 2.1986       0.801666  2.1986       0.801666  38.7065     90          4.48254     270         
1 1 1 23 5  1  o 24.1835 5.13924 0.709289     0.726675  1.82048      0.750926  33.4131     247.033     7.43249     247.033     
1 1 1 23 5  2  o 16.3661 4.85441 0.310714     0.68685   0.211057     0.70367   16.2167     303.406     4.97        123.406     
1 1 1 23 5  3  o 13.3118 4.29594 -0.335915    0.655649  -0.196446    0.661877  11.2134     272.095     3.05845     272.095     
1 1 1 23 5  4  o 22.7921 5.38156 0.983264     0.765541  1.26661      0.737363  17.1831     244.089     22.9682     64.0888     
1 1 1 23 5  5  o 18.3933 4.92379 1.15438      0.741812  -0.223888    0.692945  17.3601     232.692     9.45117     52.692      
1 1 1 23 5  6  o 19.6397 5.10091 1.13303      0.715235  0.262046     0.723985  27.9129     44.9335     17.0324     44.9335     
1 1 1 23 5  7  o 13.2618 4.29869 -0.219318    0.674261  -0.364204    0.664065  10.7112     218.451     6.4559      38.4507     
1 1 1 23 5  8  o 38.6898 4.54879 4.13034      0.877669  2.31125      0.844608  56.3127     156.543     12.6442     156.543     
1 1 1 23 5  9  o 21.8894 5.2447  1.54007      0.758486  0.429266     0.769462  24.0198     272.484     5.57473     92.4842     
1 1 1 23 5  10 o 41.1124 4.67369 4.90411      0.959951  2.49512      0.905582  50.8969     134.67      4.90916     314.67      
1 1 1 23 5  11 o 23.5958 5.29681 1.88038      0.810601  0.598867     0.751406  20.7528     304.893     17.5016     124.893     
1 1 1 23 5  12 o 15.6531 4.77309 0.326364     0.711147  -0.026438    0.70828   16.4074     50.1284     1.17101     230.128     
1 1 1 23 5  13 o 16.5737 4.93681 0.102081     0.736438  0.484042     0.724322  7.4459      242.675     25.0012     62.6748     
1 1 1 23 5  14 o 17.2101 5.21318 0.569171     0.888195  0.0376281    0.778208  3.34663     289.88      35.3167     109.88      
1 1 1 23 5  15 o 24.8459 5.81925 0.884748     0.924152  2.0386       0.919212  26.1185     354.281     9.11871     174.281     
1 1 1 23 5  16 o 19.4891 5.49545 0.776477     0.890898  0.705237     0.780558  15.2752     276.204     16.3954     96.2038     
1 1 1 23 5  17 o 20.5962 5.38525 0.780554     0.759655  1.09348      0.77141   30.169      263.175     17.7647     263.175     
1 1 1 23 5  18 o 31.3634 5.20076 3.27732      0.894749  1.44326      0.836153  32.6405     333.885     13.954      153.885     
1 1 1 23 5  19 o 40.5958 4.9703  2.18812      0.955958  5.58976      0.98482   54.3669     236.189     5.4127      236.189     
1 1 1 23 5  20 o 16.3471 4.95054 0.122348     0.740419  0.50445      0.765058  10.1168     205.796     18.2701     25.7963     
1 1 1 23 5  21 o 20.3367 5.36091 1.51664      0.823534  0.284814     0.811181  15.617      182.191     18.0282     2.1912      
1 1 1 23 5  22 o 25.401  5.69595 1.72123      0.848409  1.66336      0.834892  35.7086     239.585     10.484      239.585     
1 1 1 23 5  23 o 16.2509 4.92502 0.526873     0.737469  0.220437     0.755014  19.9758     319.27      5.57485     319.27      
1 1 1 23 5  24 o 11.6526 3.9569  -0.320183    0.705239  -1.0146      0.692379  6.04237     47.7842     13.3624     227.784     
1 1 1 23 5  25 o 20.2272 5.15184 1.86956      0.827362  0.0344557    0.762553  24.2443     203.413     0.994867    203.413     
1 1 1 23 5  26 o 15.5023 4.80874 0.909841     0.81458   -0.573976    0.772748  18.9479     306.756     5.66106     306.756     
1 1 1 23 5  27 o 12.4401 4.16406 -1.69716     0.72846   0.353529     0.771841  12.4762     331.596     1.8217      331.596     
1 1 1 23 5  28 o 18.4758 5.39026 0.854736     0.827023  1.02212      0.846513  23.83       135.66      16.0083     135.66      
1 1 1 23 5  29 o 14.4752 4.68005 0.475506     0.799457  -0.216517    0.796203  15.8366     279.112     4.46684     279.112     
1 1 1 23 5  30 o 18.5808 5.44068 1.14411      0.859025  0.987766     0.855038  21.7067     13.0913     2.71591     13.0913     
1 1 1 23 5  31 o 21.1547 5.73261 1.38429      0.90485   1.73954      0.872927  23.0706     232.999     2.30993     52.9994     
1 1 1 23 5  32 o 13.4491 4.46455 0.233677     0.825851  -0.17621     0.749584  4.9936      230.095     2.75952     230.095     
1 1 1 23 5  33 o 15.5331 5.05899 0.194073     1.00317   0.826272     0.916966  14.6414     331.546     3.83519     151.546     
1 1 1 23 5  34 o 13.111  4.46212 0.273721     0.950734  -0.481571    0.81391   9.23235     243.499     3.8948      243.499     
1 1 1 23 5  35 o 17.298  5.11575 -0.409893    0.842912  2.05923      0.920794  17.544      346.188     1.77027     166.188     
1 1 1 23 5  36 o 20.148  5.75757 2.02041      0.925611  1.46932      0.97674   23.5727     278.64      4.47704     278.64      
1 1 1 23 5  37 o 11.2845 3.94918 -0.408371    0.887752  -1.05921     0.803311  6.72983     194.143     1.03717     14.1433     
1 1 1 23 5  38 o 12.389  4.24786 -1.56603     0.893702  0.605189     0.867021  6.13675     159.413     2.13269     159.413     
1 1 1 23 5  39 o 13.3522 4.4155  -0.81699     0.798983  1.01353      0.811155  12.2775     64.8021     3.48004     64.8021     
1 1 1 23 5  40 o 16.3903 5.35181 0.577934     1.05278   1.8755       1.10572   18.3619     262.969     9.67781     262.969     
1 1 1 23 5  41 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 6  0  f 18.3163 6.58711 1.03562      0.783493  1.03562      0.783493  27.056      90          0           0           
1 1 1 23 6  1  o 14.3411 4.51949 -0.125948    0.698181  -0.0379428   0.663235  9.3179      163.775     14.2159     343.775     
1 1 1 23 6  2  o 11.3354 3.82436 -0.312598    0.651688  -1.20775     0.61424   7.76564     210.828     2.68276     30.8285     
1 1 1 23 6  3  o 17.4878 5.04685 0.768721     0.775273  -0.0136203   0.713523  11.5504     286.144     19.1475     106.144     
1 1 1 23 6  4  o 23.8673 5.56561 1.63247      0.82339   0.894187     0.81788   24.7823     74.9305     9.8365      254.931     
1 1 1 23 6  5  o 16.2174 4.87083 0.260044     0.700584  0.196087     0.727429  16.8279     223.582     2.62153     43.5823     
1 1 1 23 6  6  o 35.446  5.19537 3.0727       0.927401  2.5002       0.919699  47.7511     192.158     4.50142     192.158     
1 1 1 23 6  7  f 25.8629 5.49422 2.04122      0.840793  1.01804      0.813941  38.6246     99.6231     0           0           
1 1 1 23 6  8  o 19.5884 5.35019 0.807487     0.786388  0.656801     0.755838  22.1723     152.416     1.9098      332.416     
1 1 1 23 6  9  o 29.7015 5.26962 1.29015      0.839889  2.77467      0.85423   32.5206     84.5927     10.4833     264.593     
1 1 1 23 6  10 o 14.6368 4.50559 0.622178     0.745104  -1.03726     0.66316   8.99401     41.7711     15.8583     221.771     
1 1 1 23 6  11 o 28.7729 5.41595 1.59984      0.844899  2.23933      0.820685  36.0932     184.635     0.0692878   4.63462     
1 1 1 23 6  12 o 15.2257 4.70872 0.332634     0.7194    -0.23919     0.717416  10.4321     99.4529     5.952       99.4529     
1 1 1 23 6  13 o 21.5538 5.19979 0.267233     0.777981  1.63166      0.771023  31.2199     59.8816     12.8856     59.8816     
1 1 1 23 6  14 o 14.9464 4.45947 0.800998     0.7013    -1.61642     0.761661  4.3153      215.421     26.9575     35.4208     
1 1 1 23 6  15 o 21.5751 5.50217 1.77875      0.916714  0.218613     0.793828  28.0142     102.108     5.38527     102.108     
1 1 1 23 6  16 o 23.8726 5.84862 1.36053      0.902915  1.42647      0.863838  33.5657     253.717     10.8221     253.717     
1 1 1 23 6  17 o 16.7083 4.68466 1.40189      0.840212  -1.61142     0.687256  20.759      242.107     6.65411     242.107     
1 1 1 23 6  18 o 17.6934 5.10162 0.63225      0.746544  0.45634      0.731509  21.9503     204.668     5.31283     204.668     
1 1 1 23 6  19 o 25.9501 5.60887 1.72903      0.839652  1.64506      0.808933  36.1471     321.009     9.56326     321.009     
1 1 1 23 6  20 o 15.0366 4.48534 0.893533     0.71696   -1.2279      0.703785  15.1218     259.898     2.84709     79.8983     
1 1 1 23 6  21 f 15.645  4.7421  -0.241314    0.708628  0.667163     0.72599   11.7443     294.482     0           0           
1 1 1 23 6  22 o 20.5264 5.32203 1.548        0.803749  0.456438     0.770121  19.5163     86.8352     10.2093     266.835     
1 1 1 23 6  23 o 11.8107 3.98403 -0.337001    0.67697   -0.773178    0.688335  10.6854     232.897     0.252401    52.8971     
1 1 1 23 6  24 o 21.876  5.59974 1.4404       0.830822  1.19034      0.805457  31.3587     11.254      12.5316     11.2539     
1 1 1 23 6  25 o 16.5479 4.92206 0.877211     0.738616  0.0892893    0.750359  21.9218     218.283     10.9059     218.283     
1 1 1 23 6  26 o 16.2244 4.92992 0.0719023    0.742828  0.853887     0.7853    17.5527     76.2357     11.814      76.2357     
1 1 1 23 6  27 o 14.181  4.60899 0.1277       0.823539  -0.00440035  0.72442   12.7534     25.3204     5.31077     205.32      
1 1 1 23 6  28 o 17.6062 5.34409 0.637667     0.865876  0.961776     0.889586  22.8388     17.7473     12.2548     17.7473     
1 1 1 23 6  29 o 17.113  5.14019 -0.495572    0.892014  1.54754      0.898722  20.8379     340.805     6.23203     340.805     
1 1 1 23 6  30 o 16.0185 5.04103 0.138327     0.857427  0.923519     0.862975  17.1842     280.224     0.89741     280.224     
1 1 1 23 6  31 o 17.6015 5.37483 0.912102     0.886368  1.04516      0.905397  20.4226     131.151     3.40679     131.151     
1 1 1 23 6  32 o 11.8132 4.04425 0.318886     0.786494  -2.06087     0.812319  8.50024     254.893     6.23996     74.8925     
1 1 1 23 6  33 o 18.5811 5.53585 0.226706     1.01465   2.13381      0.996786  13.048      93.8483     16.2866     273.848     
1 1 1 23 6  34 o 14.9326 4.86529 -0.172788    0.863767  1.04595      0.917288  13.186      305.721     6.65291     305.721     
1 1 1 23 6  35 o 13.7386 4.54379 -0.306587    0.842788  0.625752     0.81032   12.2565     278.021     1.50195     278.021     
1 1 1 23 6  36 o 15.4531 4.86713 0.0917932    0.824721  1.1609       0.817387  15.6252     3.49306     5.30148     3.49306     
1 1 1 23 6  37 o 15.341  4.97209 0.868181     0.895861  0.591035     0.896427  15.7367     168.157     4.10154     168.157     
1 1 1 23 6  38 o 12.7391 4.33663 -1.03322     0.861424  0.689383     0.87155   10.8078     230.469     0.573488    230.469     
1 1 1 23 6  39 o 16.4658 5.1256  1.60223      0.898013  0.570581     0.833892  13.9737     109.086     9.21151     109.086     
1 1 1 23 6  40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 7  0  o 8.78298 4.31782 -0.520217    0.695713  -0.520217    0.695713  1.21015     89.9999     1.43702     270         
1 1 1 23 7  1  o 22.1534 5.32165 1.71061      0.807856  0.210644     0.832572  25.4439     114.427     3.16427     294.427     
1 1 1 23 7  2  o 15.6676 4.77876 0.476744     0.718264  -0.42172     0.762997  12.9082     207.539     10.2098     27.5391     
1 1 1 23 7  3  o 30.297  5.47324 1.79853      0.843727  2.41298      0.890788  38.8682     74.7482     1.06612     74.7482     
1 1 1 23 7  4  o 33.2466 5.17364 2.84845      0.883543  2.10276      0.856617  55.7909     333.317     28.2454     333.317     
1 1 1 23 7  5  o 17.2313 4.61611 -0.793584    0.709142  1.13907      0.686237  21.5625     255.16      12.3069     255.16      
1 1 1 23 7  6  o 13.4139 4.3524  -0.135255    0.693892  -0.451598    0.687356  11.2765     317.677     3.42213     317.677     
1 1 1 23 7  7  o 16.4266 4.90197 0.254772     0.712531  0.318213     0.717811  10.2325     160.181     18.5915     340.181     
1 1 1 23 7  8  o 32.2017 5.13785 1.42673      0.847369  3.36242      0.888961  40.3267     57.5506     1.26659     237.551     
1 1 1 23 7  9  o 21.8285 5.2922  1.68954      0.817318  0.298906     0.763656  30.8182     249.658     10.6868     249.658     
1 1 1 23 7  10 o 28.0619 5.55155 1.50497      0.832252  2.20792      0.866797  24.6521     3.50352     21.6806     183.504     
1 1 1 23 7  11 f 16.6108 4.91855 -0.036695    0.726397  0.617083     0.732532  1.96007     110.16      0           0           
1 1 1 23 7  12 o 15.1412 4.69958 0.23156      0.705373  -0.103618    0.722747  14.4604     192.832     7.08358     192.832     
1 1 1 23 7  13 o 27.3124 5.6602  1.63892      0.830351  1.96442      0.878333  33.8123     23.1823     0.00952826  23.188      
1 1 1 23 7  14 o 27.3758 5.39195 2.63582      0.874201  0.948041     0.854149  31.7527     261.016     4.59585     81.0156     
1 1 1 23 7  15 o 17.6724 5.20075 0.564138     0.770802  0.388815     0.809956  15.8879     15.7167     9.37425     195.717     
1 1 1 23 7  16 o 25.3702 6.12421 1.77921      1.0439    1.53119      0.889823  36.4274     55.3086     12.6874     55.3086     
1 1 1 23 7  17 o 14.726  4.76906 -0.948583    0.976228  0.198364     0.764187  13.8532     71.1559     3.94348     251.156     
1 1 1 23 7  18 f 16.7334 5.00347 0.424099     0.764049  0.374149     0.730487  4.51281     210.125     0           0           
1 1 1 23 7  19 o 11.5123 3.91891 -0.655633    0.706491  -0.783401    0.672951  8.98206     216.779     0.554244    216.779     
1 1 1 23 7  20 o 12.8274 4.1802  0.364002     0.723326  -1.32446     0.641938  6.80327     82.413      15.1865     262.413     
1 1 1 23 7  21 o 14.0156 4.51001 0.252184     0.761777  -0.424297    0.687896  15.3117     173.125     5.537       173.125     
1 1 1 23 7  22 o 20.2353 5.19302 0.281303     0.777139  1.60635      0.775966  18.8523     312.742     10.7686     132.742     
1 1 1 23 7  23 o 16.1819 4.96402 0.799722     0.820162  -0.132648    0.767185  2.10783     231.208     34.5807     51.2079     
1 1 1 23 7  24 o 20.5387 5.33336 0.422455     0.819251  1.72483      0.811314  25.6703     333.259     3.48245     333.259     
1 1 1 23 7  25 o 12.8732 4.25836 -0.638334    0.725259  0.0914328    0.715559  13.3661     165.76      5.06697     165.76      
1 1 1 23 7  26 o 16.3457 4.92498 0.264883     0.747766  0.785234     0.743137  15.0523     328.717     10.4533     328.717     
1 1 1 23 7  27 o 15.1832 4.8665  -0.245801    0.729784  0.794433     0.920732  17.5477     198.098     5.61507     198.098     
1 1 1 23 7  28 o 16.6297 5.2336  0.493394     0.826006  0.779403     0.987184  4.27275     7.80909     3.0127      7.80909     
1 1 1 23 7  29 o 12.922  4.42022 -0.251123    0.863269  -0.736107    0.963266  11.7216     232.05      1.33631     232.05      
1 1 1 23 7  30 o 10.9283 3.82404 -1.44639     0.740922  -0.488772    0.826563  6.07771     265.72      0.871827    265.72      
1 1 1 23 7  31 o 16.2621 5.11745 1.09695      0.886782  0.225144     0.895562  16.6583     208.669     1.41414     28.6692     
1 1 1 23 7  32 o 12.8307 4.28191 0.177615     0.753582  -0.29273     0.740326  11.0037     268.626     3.47396     88.6264     
1 1 1 23 7  33 o 13.3817 4.46509 0.108787     0.82996   0.0800786    0.786577  12.5053     8.53415     1.3691      8.53414     
1 1 1 23 7  34 o 12.7961 4.32983 -0.073976    0.855946  -0.0899062   0.773523  9.97759     215.633     3.63774     35.6332     
1 1 1 23 7  35 o 11.2407 3.86672 -1.15972     0.751621  0.0173949    0.716968  6.42679     241.719     1.81694     61.7194     
1 1 1 23 7  36 o 13.2048 4.40786 0.296491     0.7994    -0.0365677   0.780809  6.35844     319.845     2.62097     319.845     
1 1 1 23 7  37 o 13.2849 4.48078 0.650401     0.874333  -0.520174    0.87275   9.11983     333.632     3.63707     333.632     
1 1 1 23 7  38 f 11.901  4.08968 0.139361     0.833086  -0.536218    0.746847  13.1771     259.694     0           0           
1 1 1 23 7  39 o 10.653  3.73207 -1.32005     0.786848  -0.244174    0.7667    5.11231     36.0627     1.13549     36.0628     
1 1 1 23 7  40 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 8  0  o 10.6341 4.97404 -0.0511275   0.714965  -0.0511275   0.714965  5.06414     270         0.256221    90          
1 1 1 23 8  1  f 20.247  5.2938  -0.103275    0.768073  1.54522      0.869354  38.2559     53.7381     0           0           
1 1 1 23 8  2  o 10.9774 3.75105 -0.808441    0.601843  -0.846857    0.687119  6.92114     306.308     2.45238     126.308     
1 1 1 23 8  3  f 26.2902 5.45938 2.14884      0.818244  1.02653      0.858783  52.9131     1.71486     0           0           
1 1 1 23 8  4  o 29.3477 5.3161  2.53337      0.79421   1.41482      0.899357  37.8742     146.66      1.98004     146.66      
1 1 1 23 8  5  o 21.5485 5.33604 1.16301      0.712145  0.860716     0.776618  31.9065     19.2619     15.1856     19.2619     
1 1 1 23 8  6  f 18.4149 4.92263 -0.247124    0.70256   1.22689      0.74696   38.7099     323.323     0           0           
1 1 1 23 8  7  o 18.8865 5.21061 0.732904     0.726148  0.601042     0.750095  19.9949     245.298     4.37998     65.2983     
1 1 1 23 8  8  o 15.9708 4.81157 0.146        0.691461  0.32826      0.710757  17.1603     340.365     0.342238    160.365     
1 1 1 23 8  9  o 12.1876 4.0403  -0.366595    0.618641  -0.548063    0.670706  8.62492     252.838     1.38488     252.838     
1 1 1 23 8  10 o 16.2589 4.88485 0.292178     0.676187  0.26841      0.760815  6.39174     46.3631     26.1388     226.363     
1 1 1 23 8  11 o 25.794  5.29032 0.916907     0.742382  2.23647      0.83542   44.2813     118.264     31.302      118.264     
1 1 1 23 8  12 o 18.8714 4.83042 1.40651      0.723294  -0.409965    0.741433  26.4421     84.8623     15.0092     84.8623     
1 1 1 23 8  13 o 17.2628 5.04755 0.365531     0.72382   0.544667     0.748845  21.427      244.418     6.83996     244.418     
1 1 1 23 8  14 o 19.1238 5.21791 1.16569      0.766291  0.163704     0.795399  13.1411     183.728     19.8424     3.72774     
1 1 1 23 8  15 o 15.6902 4.85444 0.157455     0.760767  0.179763     0.741249  18.1695     33.8739     6.06667     33.8739     
1 1 1 23 8  16 o 18.9368 5.70593 0.282133     1.031     0.851945     0.968862  25.3999     198.083     13.2628     198.083     
1 1 1 23 8  17 o 22.0657 6.28319 1.66648      1.20722   0.804263     1.00681   26.7622     68.7191     1.903       68.7191     
1 1 1 23 8  18 o 20.9376 5.70168 0.221        1.15589   1.50224      0.832853  27.8936     222.741     7.81244     222.741     
1 1 1 23 8  19 o 13.2905 4.36266 -0.59055     0.764224  -0.0310431   0.700863  11.3025     300.787     5.84013     120.787     
1 1 1 23 8  20 o 12.9341 4.25022 0.0781814    0.687447  -0.829728    0.733815  4.17708     143.295     2.29645     143.295     
1 1 1 23 8  21 o 23.6533 5.83658 1.44971      0.848016  1.67139      0.911427  23.3554     217.652     10.572      37.652      
1 1 1 23 8  22 o 9.37571 3.30587 -0.98958     0.644026  -1.7318      0.646112  5.66035     217.475     2.11176     37.4754     
1 1 1 23 8  23 o 30.9161 5.46844 3.45724      0.891739  1.78526      0.975244  47.9247     262.539     20.7913     262.539     
1 1 1 23 8  24 o 15.7772 4.94764 0.203104     0.757704  0.530284     0.850258  15.7903     108.253     3.76112     288.253     
1 1 1 23 8  25 o 12.9593 4.19343 -1.60893     0.705374  0.606332     0.713952  12.743      159.538     0.714877    339.538     
1 1 1 23 8  26 o 12.1798 4.08887 -0.712127    0.70917   -0.0577083   0.702407  10.8611     303.136     2.65712     303.136     
1 1 1 23 8  27 o 13.4008 4.43102 0.136161     0.785664  -0.305712    0.747463  11.3259     325.227     5.12474     145.227     
1 1 1 23 8  28 o 14.101  4.62831 0.144533     0.846821  0.0579546    0.773152  14.3587     64.2118     2.84118     64.2118     
1 1 1 23 8  29 o 18.8078 5.06515 -0.401536    0.836233  2.07452      0.85199   19.9979     95.7311     2.41454     275.731     
1 1 1 23 8  30 o 11.607  3.98169 -0.524621    0.780801  -0.484483    0.714067  9.31608     206.135     1.47255     26.1348     
1 1 1 23 8  31 o 12.1704 4.1336  -0.122375    0.756248  -0.478535    0.764969  9.35475     143.245     3.05095     143.245     
1 1 1 23 8  32 o 14.7874 4.79757 0.67379      0.827493  0.191932     0.861385  10.5328     238.879     10.8199     58.8791     
1 1 1 23 8  33 o 11.2784 3.8938  -0.904775    0.76665   -0.243119    0.739362  6.65762     103.362     0.164185    103.362     
1 1 1 23 8  34 o 13.9692 4.59269 0.850633     0.846303  -0.388073    0.79803   12.4638     273.709     1.39032     273.709     
1 1 1 23 8  35 o 17.22   5.19816 1.56366      0.868024  0.546211     0.822052  16.1374     193.37      9.86309     193.37      
1 1 1 23 8  36 o 15.1364 4.85999 1.58285      0.926148  -0.664981    0.860607  14.8644     9.61832     6.30799     9.61832     
1 1 1 23 8  37 o 14.434  4.72613 -0.261015    0.867322  1.18078      0.876681  13.5608     138.53      5.83868     138.53      
1 1 1 23 8  38 o 13.7283 4.46799 -0.824178    0.825766  1.09963      0.784009  11.2167     140.676     5.64523     140.676     
1 1 1 23 8  39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 9  0  f 8.44708 4.17514 -0.562865    0.674975  -0.562865    0.674975  12.9246     270         0           0           
1 1 1 23 9  1  o 15.0172 4.44255 0.70855      0.664965  -0.738698    0.636546  14.0635     156.418     5.05253     336.418     
1 1 1 23 9  2  o 14.8107 4.6038  -0.241916    0.686279  0.269188     0.697933  13.209      205.842     6.114       25.8421     
1 1 1 23 9  3  o 8.7723  3.08415 -1.2404      0.525771  -1.16475     0.562706  7.86485     146.981     35.0886     146.981     
1 1 1 23 9  4  f 18.6572 5.0223  -0.0119988   0.708516  1.16526      0.748035  18.1917     64.2228     0           0           
1 1 1 23 9  5  o 27.0486 5.46079 1.70433      0.769195  1.73128      0.83895   43.3346     328.357     21.8514     328.357     
1 1 1 23 9  6  o 23.7351 5.54518 1.05176      0.782398  1.58789      0.821112  27.6719     110.621     2.48897     290.621     
1 1 1 23 9  7  o 19.8152 5.17101 0.336886     0.715815  1.23629      0.754239  25.6995     20.3272     6.05703     20.3272     
1 1 1 23 9  8  o 24.4782 5.20917 1.91773      0.750828  0.835981     0.771169  25.1579     144.016     10.217      324.016     
1 1 1 23 9  9  o 13.4918 4.29419 0.216879     0.660729  -0.603621    0.641481  12.304      103.228     3.37596     103.228     
1 1 1 23 9  10 o 29.0426 5.34853 2.6425       0.853195  1.38239      0.8341    42.3741     99.0857     13.2674     99.0857     
1 1 1 23 9  11 o 13.8128 4.43096 0.131207     0.724562  -0.466456    0.662046  12.0846     52.0019     4.70892     232.002     
1 1 1 23 9  12 o 16.7599 4.88889 0.173826     0.70469   0.624645     0.692642  20.8066     182.332     8.91215     182.332     
1 1 1 23 9  13 o 17.2597 5.00947 0.06696      0.698463  0.834661     0.772937  20.2631     236.106     2.53878     236.106     
1 1 1 23 9  14 f 23.4802 5.39028 0.741556     0.784853  1.89718      0.812379  18.8167     352.497     0           0           
1 1 1 23 9  15 o 15.836  4.81252 0.379401     0.717004  0.16446      0.709601  17.4276     23.1348     9.55529     23.1348     
1 1 1 23 9  16 o 15.4647 4.85524 -0.18475     0.716309  0.440585     0.842536  18.0396     137.172     5.40095     137.172     
1 1 1 23 9  17 o 17.4844 5.36972 0.0516816    0.915877  0.748754     0.922365  19.894      261.857     12.7942     261.857     
1 1 1 23 9  18 o 18.6294 5.51018 1.65823      1.0483    -1.1876      1.04301   23.1443     49.2977     15.7222     49.2977     
1 1 1 23 9  19 o 14.6501 4.6414  -0.569547    0.736084  0.516838     0.775142  14.9412     0.775661    8.17402     0.775661    
1 1 1 23 9  20 o 12.2902 4.08059 0.176715     0.702646  -1.34129     0.685606  6.74218     41.9533     3.30258     41.9533     
1 1 1 23 9  21 f 12.0503 3.99809 -1.68906     0.66671   0.291522     0.692122  13.7613     318.138     0           0           
1 1 1 23 9  22 o 16.5693 5.03389 0.640652     0.839567  0.41259      0.713359  21.6029     239.601     9.3993      239.601     
1 1 1 23 9  23 o 9.81513 3.44389 -1.17662     0.682734  -1.15345     0.653705  5.37406     236.848     8.7009      56.8478     
1 1 1 23 9  24 o 32.8754 5.58138 3.1975       0.951106  2.80859      0.929357  44.5357     278.601     8.826       278.601     
1 1 1 23 9  25 o 10.1286 3.52054 -1.10266     0.624124  -0.659732    0.655686  5.4947      138.103     0.246384    138.103     
1 1 1 23 9  26 o 12.7838 4.30385 -0.973535    0.699383  0.308391     0.849581  9.45184     175.452     7.6182      355.452     
1 1 1 23 9  27 o 11.1486 3.84639 -0.492757    0.710189  -0.963206    0.7502    3.06419     178.214     0.833649    178.214     
1 1 1 23 9  28 o 11.2449 3.86652 -1.16987     0.729964  -0.199946    0.719302  6.68091     262.612     8.78653     82.6123     
1 1 1 23 9  29 o 22.3633 5.34665 2.49757      0.855082  0.776955     0.789341  30.5723     119.542     24.1802     119.542     
1 1 1 23 9  30 o 20.866  5.24007 0.63923      0.837343  2.16391      0.793392  23.4947     218.236     18.7163     218.236     
1 1 1 23 9  31 o 15.092  4.77918 0.543022     0.788201  0.557303     0.75323   4.86747     172.83      3.13806     172.83      
1 1 1 23 9  32 o 13.1171 4.34044 -0.384669    0.758794  0.451253     0.745972  7.49926     330.453     3.18923     330.453     
1 1 1 23 9  33 o 18.7642 5.36758 0.445281     0.873922  2.11459      0.902704  21.3881     237.074     13.4658     237.074     
1 1 1 23 9  34 o 12.2059 4.18752 -0.376456    0.811838  -0.219277    0.841904  8.42025     198.378     0.0483148   198.378     
1 1 1 23 9  35 o 12.6245 4.27245 0.429227     0.812317  -0.668426    0.798774  3.74859     130.708     1.49507     130.708     
1 1 1 23 9  36 o 15.366  4.98794 0.95644      0.927174  0.689259     0.881512  14.5653     321.962     7.42819     321.962     
1 1 1 23 9  37 o 13.853  4.59733 0.765384     0.869403  0.0515173    0.805693  12.5561     75.7571     1.72962     255.757     
1 1 1 23 9  38 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 10 0  o 8.32816 4.07683 -0.402535    0.603397  -0.402535    0.603397  1.87427     89.9999     4.13162     270         
1 1 1 23 10 1  o 15.5815 4.67729 -0.108851    0.672314  0.497589     0.675616  17.773      239.794     4.74257     239.794     
1 1 1 23 10 2  o 16.3074 4.79598 -0.367019    0.716093  0.774504     0.723443  14.1826     139.732     9.06555     319.732     
1 1 1 23 10 3  o 16.5459 4.81253 0.852102     0.741851  -0.294884    0.675756  13.8157     51.2697     10.7001     231.27      
1 1 1 23 10 4  o 18.7722 5.18564 0.0935397    0.777341  1.10064      0.773042  24.9003     174.272     9.25764     174.272     
1 1 1 23 10 5  o 32.1748 5.35094 2.5005       0.879955  2.3347       0.875286  45.1038     150.217     9.79134     150.217     
1 1 1 23 10 6  f 17.0703 4.99015 0.127223     0.693478  0.70379      0.763106  16.9422     179.386     0           0           
1 1 1 23 10 7  f 12.1676 4.0246  -0.585394    0.596447  -0.225062    0.66503   11.6181     224.65      0           0           
1 1 1 23 10 8  o 16.9983 4.90852 0.705251     0.69519   0.137923     0.707386  18.3917     277.499     1.24852     97.4987     
1 1 1 23 10 9  o 21.2916 5.14634 0.454886     0.717823  1.54324      0.745381  28.4899     198.429     7.38481     198.429     
1 1 1 23 10 10 o 28.8705 5.16215 1.39256      0.778141  2.57034      0.813379  44.0975     19.6829     17.6699     19.6828     
1 1 1 23 10 11 o 20.4015 5.27195 1.33038      0.777288  0.508102     0.725815  11.8997     288.355     26.0016     108.355     
1 1 1 23 10 12 o 16.5487 4.9909  0.115835     0.699694  0.581209     0.812783  8.03895     139.512     23.1893     319.512     
1 1 1 23 10 13 o 44.2128 4.76917 3.70912      0.945311  5.22276      1.17592   69.6368     349.301     27.4792     349.301     
1 1 1 23 10 14 o 21.3065 4.79191 -0.258325    0.704614  2.09138      0.792391  33.7484     355.142     23.2004     355.142     
1 1 1 23 10 15 o 16.5866 4.93191 0.823101     0.781154  -0.0629066   0.702274  19.266      45.4983     2.17714     45.4983     
1 1 1 23 10 16 o 11.7191 3.91479 -1.22725     0.657669  -0.0206713   0.644956  0.681353    250.207     25.4245     70.2065     
1 1 1 23 10 17 o 14.6065 4.81702 0.128454     0.985846  -0.49234     0.777768  15.0752     341.438     0.704806    161.438     
1 1 1 23 10 18 o 21.5219 5.55174 0.295311     1.01065   1.8479       0.846623  32.5773     289.305     17.6141     289.305     
1 1 1 23 10 19 o 16.495  5.09751 -0.118914    0.910035  0.737829     0.812256  20.0236     59.5432     11.967      59.5432     
1 1 1 23 10 20 o 13.9583 4.53784 -0.0235284   0.717644  -0.0716416   0.788492  11.4778     238.8       7.9901      58.7997     
1 1 1 23 10 21 o 30.7666 5.99837 2.81379      0.979944  2.70217      0.996158  34.7958     239.644     5.84489     59.6437     
1 1 1 23 10 22 o 11.8376 4.0229  -0.482868    0.702653  -0.608699    0.740295  10.5932     54.2857     1.75526     234.286     
1 1 1 23 10 23 o 13.4442 4.40919 0.0960022    0.772083  -0.218158    0.690855  13.7833     273.516     1.17859     273.516     
1 1 1 23 10 24 o 13.2676 4.36222 0.295483     0.762004  -0.529199    0.702656  13.1312     148.977     0.996756    148.977     
1 1 1 23 10 25 o 18.1853 5.3005  1.21769      0.82835   0.669266     0.807122  23.1335     6.09767     8.15054     6.09767     
1 1 1 23 10 26 o 15.0758 4.82805 0.223714     0.83946   0.463972     0.79206   12.6756     206.877     7.18113     26.8766     
1 1 1 23 10 27 o 14.146  4.4135  -1.34717     0.732683  1.06762      0.745416  14.6068     118.664     1.65716     118.664     
1 1 1 23 10 28 o 17.3733 5.04555 0.286193     0.800943  1.36755      0.763954  21.4315     27.3742     12.9321     27.3742     
1 1 1 23 10 29 f 13.2383 4.36668 -0.154749    0.730393  0.275405     0.747155  7.07781     238.141     0           0           
1 1 1 23 10 30 o 14.3077 4.61405 0.78028      0.800738  -0.115766    0.735374  11.6576     215.704     6.67001     35.7035     
1 1 1 23 10 31 f 15.7042 4.88291 1.1703       0.813847  0.129687     0.774498  3.67018     263.357     0           0           
1 1 1 23 10 32 o 12.5383 4.22743 -0.38639     0.784969  0.158304     0.754395  9.06051     213.941     4.46862     33.9411     
1 1 1 23 10 33 o 14.8547 4.79331 0.503452     0.835747  0.584016     0.804414  13.4743     55.5041     1.6994      235.504     
1 1 1 23 10 34 o 11.9146 4.112   0.272542     0.851123  -1.26778     0.812319  8.48614     302.086     0.668883    122.086     
1 1 1 23 10 35 o 12.3165 4.17726 0.629479     0.788197  -1.49521     0.858779  9.19971     61.0091     4.28162     241.009     
1 1 1 23 10 36 o 11.589  3.9896  -0.104927    0.805292  -0.439995    0.721654  8.93349     246.483     1.12447     66.4831     
1 1 1 23 10 37 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 11 0  o 20.1229 6.66336 1.26618      0.777541  1.26618      0.777541  30.7395     90          9.84008     90          
1 1 1 23 11 1  o 11.096  3.7506  -1.01242     0.577199  -0.304643    0.638063  1.8526      336.523     0.32492     336.523     
1 1 1 23 11 2  o 23.3082 4.96601 0.330239     0.734627  2.08003      0.764242  30.6315     125.905     5.29915     125.905     
1 1 1 23 11 3  o 20.7088 5.06359 1.55901      0.748719  0.230998     0.714043  24.4503     272.4       0.0403033   92.3994     
1 1 1 23 11 4  o 12.295  4.04145 -0.0173711   0.649127  -0.82683     0.620598  8.49279     106.292     8.3643      286.292     
1 1 1 23 11 5  o 32.9832 5.36318 2.53477      0.925298  2.59649      0.870743  43.8131     295.981     5.14934     295.981     
1 1 1 23 11 6  o 13.446  4.35214 0.160058     0.644679  -1.10794     0.836797  12.8872     292.33      2.67775     292.33      
1 1 1 23 11 7  o 18.275  5.40674 0.646152     0.730262  0.38988      1.02414   22.8289     90.7179     5.87128     90.7179     
1 1 1 23 11 8  o 15.7581 4.64082 0.811456     0.687467  -0.6742      0.735758  18.3014     131.663     3.76154     131.663     
1 1 1 23 11 9  o 19.202  5.05916 0.160938     0.740931  1.27131      0.725537  25.7503     20.2005     8.66899     20.2005     
1 1 1 23 11 10 o 15.0009 4.49483 -0.685788    0.657979  0.744951     0.685236  8.93908     269.443     16.9049     89.4428     
1 1 1 23 11 11 o 22.6974 5.04019 0.32291      0.782703  2.00061      0.75536   28.6307     283.767     2.91862     283.767     
1 1 1 23 11 12 o 23.8693 5.59648 1.28048      0.836996  1.62876      0.794716  20.6953     30.5831     17.0197     210.583     
1 1 1 23 11 13 o 14.0756 4.4048  0.4562       0.681314  -0.520701    0.64493   14.2094     66.6038     6.82749     66.6038     
1 1 1 23 11 14 o 19.063  4.70065 -0.372466    0.683045  1.63962      0.725961  25.4341     131.78      7.40466     131.78      
1 1 1 23 11 15 o 18.6701 4.96367 1.41343      0.750296  -0.0400654   0.712074  24.7395     344.45      7.63189     344.45      
1 1 1 23 11 16 o 22.8899 4.89974 2.42168      0.815995  0.0351518    0.753747  31.3116     119.552     8.27928     119.552     
1 1 1 23 11 17 o 15.8128 4.82435 0.541952     0.685788  0.106174     0.786675  17.2882     197.807     10.8408     197.807     
1 1 1 23 11 18 o 14.2064 4.67539 -0.0801143   0.865367  -0.184982    0.804802  14.6608     295.786     0.60773     115.786     
1 1 1 23 11 19 f 25.8703 5.96882 1.71994      1.06439   2.30533      0.869648  30.3592     64.1156     0           0           
1 1 1 23 11 20 o 16.7621 4.99497 0.738962     0.74821   0.4534       0.739582  21.2122     60.3989     6.6231      60.3989     
1 1 1 23 11 21 o 24.3761 5.69023 1.93675      0.845898  1.60764      0.830455  23.3448     56.8094     11.8777     236.809     
1 1 1 23 11 22 o 15.9271 4.89526 -0.103959    0.722942  0.973072     0.825863  16.6356     333.656     1.35235     153.656     
1 1 1 23 11 23 o 12.8477 4.29846 -0.261497    0.739586  -0.210567    0.776788  11.6687     182.102     1.35661     2.10161     
1 1 1 23 11 24 o 15.2729 4.87104 -0.555944    0.837125  0.986883     0.881491  16.8295     313.794     6.71213     313.794     
1 1 1 23 11 25 o 17.6451 5.47216 1.1899       0.970034  0.620763     0.966544  15.0442     210.873     9.44073     30.8735     
1 1 1 23 11 26 o 13.1858 4.19989 -1.74793     0.727072  0.869492     0.702738  5.21639     296.302     2.83585     296.302     
1 1 1 23 11 27 o 17.3147 5.11761 0.774439     0.763653  1.04476      0.776655  21.3987     150.063     12.4598     150.063     
1 1 1 23 11 28 o 17.6036 5.24029 1.09562      0.81408   0.943137     0.815839  14.7817     203.282     9.89513     23.2819     
1 1 1 23 11 29 o 10.9903 3.78553 -1.49129     0.68481   0.0968734    0.714895  7.25518     321.04      0.279535    141.04      
1 1 1 23 11 30 o 12.8214 4.22103 0.800066     0.759855  -1.12643     0.675646  9.53483     237.595     2.76643     237.595     
1 1 1 23 11 31 o 9.49697 3.35005 -1.05526     0.670172  -1.0487      0.665547  3.40638     137.099     5.09586     317.099     
1 1 1 23 11 32 o 14.1023 4.58846 0.0650628    0.812557  0.598577     0.757771  10.0676     182.505     4.2478      182.505     
1 1 1 23 11 33 o 11.4152 3.92354 -1.50361     0.74855   0.288156     0.754339  6.36911     70.6486     8.28796     250.649     
1 1 1 23 11 34 o 13.2553 4.49122 -0.403366    0.942891  0.506979     0.865187  11.6249     253.999     2.25969     253.999     
1 1 1 23 11 35 o 14.0302 4.63115 -0.790448    0.813863  1.3322       0.910875  10.8315     77.8412     5.56261     77.8412     
1 1 1 23 11 36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 12 0  o 11.5553 5.41108 0.0148791    0.850033  0.0148791    0.850033  10.2366     270         5.46307     90          
1 1 1 23 12 1  o 13.51   4.42229 -0.00419451  0.799558  -0.518055    0.653     13.2775     341.984     1.2544      341.984     
1 1 1 23 12 2  o 24.9474 5.72455 1.45347      0.974893  1.66528      0.758354  28.9712     230.643     2.59811     50.6433     
1 1 1 23 12 3  o 12.7308 4.10687 0.163292     0.635627  -0.682266    0.602032  11.7764     305.159     1.78135     305.159     
1 1 1 23 12 4  o 17.6172 4.93419 0.269648     0.667897  0.876109     0.701955  21.2344     91.1651     3.30194     91.1651     
1 1 1 23 12 5  o 15.615  4.72343 0.102327     0.712529  0.410773     0.660581  18.0542     259.539     8.75992     259.539     
1 1 1 23 12 6  o 20.5357 5.40859 0.644355     0.881382  1.23775      0.731579  23.5362     227.094     1.16669     47.0944     
1 1 1 23 12 7  o 12.8758 4.21546 -0.167271    0.696222  -0.345249    0.633402  10.2425     314.244     6.67774     134.244     
1 1 1 23 12 8  o 16.5445 4.84071 0.0421705    0.690217  0.760138     0.707741  14.7282     217.797     8.64154     37.7975     
1 1 1 23 12 9  o 20.126  5.38407 0.816973     0.748964  1.10117      0.794341  25.0255     13.5497     3.57179     13.5497     
1 1 1 23 12 10 o 17.7798 4.45056 1.5582       0.708193  -1.11705     0.690763  22.6873     191.816     5.24462     191.816     
1 1 1 23 12 11 o 10.9907 3.71274 -0.800171    0.583605  -0.3342      0.607492  6.41146     305.12      9.90212     125.12      
1 1 1 23 12 12 o 23.5186 5.20418 2.20478      0.807709  0.543828     0.786956  26.6665     174.381     3.46772     354.381     
1 1 1 23 12 13 o 17.4795 5.0032  0.900802     0.730557  0.32145      0.704011  14.7894     301.189     11.3012     121.189     
1 1 1 23 12 14 o 12.0071 3.97401 0.10955      0.644541  -1.10672     0.651349  6.65044     244.866     13.0252     64.8662     
1 1 1 23 12 15 o 17.8773 5.01265 0.222252     0.737536  1.10721      0.722594  17.6058     17.6876     6.28653     197.688     
1 1 1 23 12 16 o 16.0589 4.83528 0.362704     0.708642  0.534611     0.706745  5.66646     340.96      4.15671     340.96      
1 1 1 23 12 17 o 17.1347 5.0503  0.567429     0.751119  0.715434     0.740851  15.9411     84.9316     7.60095     264.932     
1 1 1 23 12 18 o 15.8267 5.01528 -0.0509268   0.886848  0.616932     0.846436  19.0305     94.2354     5.14705     94.2354     
1 1 1 23 12 19 o 21.5694 5.8732  2.18294      1.03116   0.689279     0.918009  16.0494     133.435     19.2514     313.435     
1 1 1 23 12 20 o 21.9469 5.51988 1.36247      0.81382   1.50753      0.771797  22.5294     114.291     6.5933      294.291     
1 1 1 23 12 21 o 17.0785 5.17465 0.341385     0.744889  1.09396      0.895814  21.5599     159.116     10.4408     159.116     
1 1 1 23 12 22 o 17.9979 5.18876 0.448853     0.782247  1.31237      0.800182  12.8197     28.6076     9.44134     28.6076     
1 1 1 23 12 23 o 14.2516 4.48014 -0.912002    0.70903   0.939029     0.755455  13.9834     255.773     6.22535     255.773     
1 1 1 23 12 24 o 11.8222 4.01017 -0.160926    0.705169  -0.648771    0.721373  4.95277     319.237     1.83723     319.237     
1 1 1 23 12 25 f 17.9313 5.17278 1.60751      0.819994  0.111046     0.877116  7.03563     267.139     0           0           
1 1 1 23 12 26 o 11.4274 3.93823 -1.2945      0.688331  0.0517046    0.789433  6.43866     21.3272     1.91364     21.3272     
1 1 1 23 12 27 f 16.3656 5.0365  1.67269      0.919723  -0.508075    0.841827  17.6616     243.475     0           0           
1 1 1 23 12 28 o 11.2932 3.85368 -0.693758    0.69177   -0.12124     0.674659  5.3231      181.416     1.10365     181.416     
1 1 1 23 12 29 o 17.5909 5.25108 1.0688       0.856346  1.12681      0.791148  19.2606     229.976     2.25427     229.976     
1 1 1 23 12 30 o 11.2774 3.8767  -0.428709    0.722527  -0.438034    0.714994  3.83601     175.156     14.058      355.156     
1 1 1 23 12 31 o 12.991  4.31529 0.299167     0.744525  -0.134931    0.743146  7.73636     188.414     10.3932     8.41425     
1 1 1 23 12 32 o 16.3869 4.83902 -0.309381    0.823941  1.65039      0.781429  17.8557     246.484     3.46724     246.484     
1 1 1 23 12 33 o 11.7955 4.05354 -0.990602    0.784929  0.253467     0.797503  8.80602     272.756     0.080421    92.7556     
1 1 1 23 12 34 o 12.7949 4.3494  -0.171758    0.871471  0.225732     0.826414  11.3342     198.346     1.69962     198.346     
1 1 1 23 12 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 13 0  o 7.83862 3.88188 -0.491643    0.591641  -0.491643    0.591641  1.10481     90          13.5837     270         
1 1 1 23 13 1  o 15.5089 4.64484 0.226134     0.632361  0.407376     0.660863  8.14975     211.23      5.52619     211.23      
1 1 1 23 13 2  o 20.9204 5.1908  1.52356      0.726191  0.451991     0.796406  30.4179     174.466     13.7325     174.466     
1 1 1 23 13 3  o 14.8924 4.59134 0.285631     0.637418  0.0623849    0.705106  7.8052      286.068     5.05284     286.068     
1 1 1 23 13 4  o 21.4127 5.18328 0.487825     0.732837  1.68749      0.764952  16.2657     169.073     19.459      349.073     
1 1 1 23 13 5  o 16.1868 4.5568  -0.762467    0.653277  1.13482      0.708661  20.7111     296.141     8.0876      296.141     
1 1 1 23 13 6  o 15.7741 4.6515  0.725922     0.658098  -0.144635    0.679987  16.5533     314.834     10.4273     314.834     
1 1 1 23 13 7  o 8.85731 3.13148 -1.52869     0.549376  -1.06968     0.613869  1.88551     25.9925     13.4957     205.993     
1 1 1 23 13 8  o 53.1854 4.21597 4.8973       1.09344   7.76366      1.12477   77.4733     102.997     20.5305     102.997     
1 1 1 23 13 9  o 15.5283 4.85931 0.99146      0.93617   -0.636224    0.631477  17.5547     148.131     9.79073     148.131     
1 1 1 23 13 10 o 19.6878 5.4858  1.08165      0.87554   0.843804     0.770296  27.7698     32.8712     12.748      32.8712     
1 1 1 23 13 11 o 18.9503 5.25104 1.52406      0.886764  0.170008     0.682877  22.5836     335.837     1.81948     335.837     
1 1 1 23 13 12 o 17.8653 4.78196 -0.388281    0.728274  1.41095      0.721821  17.9549     16.6831     5.63555     196.683     
1 1 1 23 13 13 o 11.9754 3.96264 -1.22595     0.673027  0.158919     0.637141  11.0562     315.445     1.21324     135.445     
1 1 1 23 13 14 o 16.6436 4.90699 0.353318     0.717457  0.754434     0.706287  21.3794     88.053      7.53813     88.053      
1 1 1 23 13 15 o 13.6347 4.37511 -0.0109122   0.677394  0.0872899    0.664867  14.2028     86.9296     0.0689294   86.9295     
1 1 1 23 13 16 o 14.0169 4.47055 0.303916     0.699488  -0.114827    0.685913  15.4771     246.034     2.94388     246.034     
1 1 1 23 13 17 o 16.0013 4.71484 1.26457      0.780931  -0.788096    0.718553  17.9999     93.1373     1.29259     93.1373     
1 1 1 23 13 18 o 12.7546 4.22234 0.0831427    0.65149   -0.667376    0.798275  5.0163      226.603     18.3171     46.6032     
1 1 1 23 13 19 o 16.895  5.06413 -1.12033     0.917101  1.59415      0.911026  18.682      13.0301     0.794258    13.0301     
1 1 1 23 13 20 o 14.84   4.81566 0.0220674    1.00964   0.345238     0.719425  15.9211     252.767     5.77779     252.767     
1 1 1 23 13 21 o 22.455  5.84406 1.70177      0.898536  1.73407      0.891194  19.8506     51.6871     12.7685     231.687     
1 1 1 23 13 22 o 13.5601 4.43003 0.248362     0.75036   -0.0958536   0.710922  13.2938     4.69938     1.83113     4.69938     
1 1 1 23 13 23 o 23.3863 5.61137 2.18842      0.839909  1.45358      0.820795  33.1733     341.183     14.0852     341.183     
1 1 1 23 13 24 o 14.0838 4.5021  -0.205677    0.717925  0.647081     0.726419  13.089      172.394     2.65727     352.394     
1 1 1 23 13 25 o 13.5249 4.33023 -0.726484    0.724273  0.740578     0.695065  13.6662     206.349     2.51882     206.349     
1 1 1 23 13 26 o 13.2902 4.38482 0.259488     0.748963  -0.0378897   0.739427  11.0236     205.354     4.27343     25.3537     
1 1 1 23 13 27 f 12.3675 4.19481 -0.133934    0.759356  -0.273776    0.792988  6.46096     219.774     0           0           
1 1 1 23 13 28 o 11.442  3.96132 -0.630476    0.774863  -0.484054    0.802456  7.25551     188.712     2.16521     8.71248     
1 1 1 23 13 29 o 17.0859 5.15257 -0.222613    0.908167  1.87808      0.908237  18.8711     198.05      4.92183     198.05      
1 1 1 23 13 30 o 16.0701 5.05357 0.786836     0.93489   0.901951     0.779913  15.9917     267.859     7.83578     267.859     
1 1 1 23 13 31 o 12.55   4.22457 0.66125      0.807438  -0.890805    0.715645  9.52865     141.71      1.889       141.71      
1 1 1 23 13 32 o 15.0496 4.79099 1.34422      0.846261  -0.09153     0.7978    10.7426     287.087     6.33567     287.087     
1 1 1 23 13 33 o 11.2392 3.8991  0.163682     0.789465  -1.34698     0.762289  8.36219     18.0264     1.01326     198.026     
1 1 1 23 13 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 14 0  o 10.0673 4.68281 0.0381627    0.620025  0.0381627    0.620025  2.64054     90          30.6242     90          
1 1 1 23 14 1  o 26.2683 5.02536 0.927407     0.750186  2.57775      0.783994  39.7859     204.487     16.8628     204.487     
1 1 1 23 14 2  o 11.657  3.82651 -0.383423    0.528788  -0.107318    0.579129  10.4952     13.0091     0.261448    13.0091     
1 1 1 23 14 3  o 17.0384 4.85034 0.335845     0.650788  0.81766      0.682848  11.8978     228.11      16.2477     48.1099     
1 1 1 23 14 4  o 14.4112 4.44719 -0.0849373   0.619891  0.415655     0.650564  13.1483     344.421     5.50175     164.421     
1 1 1 23 14 5  o 18.9573 4.86932 1.45953      0.714421  0.0836892    0.671073  23.8643     32.7706     4.38768     32.7705     
1 1 1 23 14 6  o 25.8911 5.23247 1.12212      0.77469   2.37954      0.791685  44.3409     158.935     29.8425     158.935     
1 1 1 23 14 7  o 16.4648 4.51402 1.27431      0.69614   -0.748038    0.649212  16.9718     51.0961     3.58795     231.096     
1 1 1 23 14 8  o 18.639  5.0701  0.450722     0.741175  1.14898      0.700214  24.4646     201.185     7.34723     201.185     
1 1 1 23 14 9  o 11.6395 3.87961 -0.698516    0.599974  -0.0825129   0.625866  9.81218     252.083     3.11741     252.083     
1 1 1 23 14 10 o 17.6021 4.92736 0.0648476    0.67817   1.24377      0.749465  20.7282     102.571     1.77628     102.571     
1 1 1 23 14 11 o 13.9817 4.53388 -0.258465    0.63594   0.31877      0.833133  11.6016     161.336     7.6807      341.336     
1 1 1 23 14 12 o 12.8059 4.23311 -0.29765     0.617538  -0.0686565   0.76378   9.91752     254.769     7.82421     74.7686     
1 1 1 23 14 13 o 9.56453 3.35123 -1.04282     0.590454  -1.10008     0.654743  5.87549     326.008     0.96558     146.008     
1 1 1 23 14 14 o 11.0302 3.74269 -0.471408    0.618091  -0.54174     0.618868  6.1793      123.274     2.00246     123.274     
1 1 1 23 14 15 o 16.3491 4.77927 0.0392035    0.706073  0.981785     0.693744  10.69       115.624     7.66637     115.624     
1 1 1 23 14 16 f 20.9659 5.47748 1.51924      0.768542  1.10004      0.842115  21.3616     148.976     0           0           
1 1 1 23 14 17 o 11.4365 3.93923 -0.807771    0.63409   -0.434568    0.823618  8.12968     232.102     5.40334     52.1023     
1 1 1 23 14 18 o 17.8326 4.9943  -1.16238     0.736561  2.19217      0.951669  23.1355     192.083     12.8675     192.083     
1 1 1 23 14 19 o 16.9407 5.46943 0.425979     1.22307   0.86267      0.972548  19.9371     90.2683     6.96498     90.2683     
1 1 1 23 14 20 o 20.7127 5.98823 2.64797      1.2541    0.810896     0.764878  27.7276     152.194     11.6153     152.194     
1 1 1 23 14 21 o 20.2966 5.86026 1.77823      1.20959   1.35762      0.797203  23.1806     107.332     1.31415     107.332     
1 1 1 23 14 22 o 14.2074 4.67067 0.725795     0.941693  -0.220751    0.678539  14.7592     197.003     4.1027      197.003     
1 1 1 23 14 23 o 19.4341 5.71799 2.03556      1.07734   0.921012     0.822076  16.619      0.925921    10.732      180.926     
1 1 1 23 14 24 o 8.87592 3.18659 -1.85868     0.842442  -1.56984     0.605314  3.45626     322.274     4.05467     142.274     
1 1 1 23 14 25 o 23.65   5.27111 0.517347     1.06016   3.15735      0.886353  28.1259     302.338     2.47688     302.338     
1 1 1 23 14 26 o 13.0091 4.37403 -0.0430641   0.914443  0.0184214    0.701041  9.55398     240.327     2.42616     240.327     
1 1 1 23 14 27 o 16.0859 4.97339 1.14066      0.841457  0.486861     0.735941  16.8338     286.982     5.31149     286.982     
1 1 1 23 14 28 o 12.0106 4.06602 0.203738     0.743081  -0.669468    0.706113  7.06028     285.722     0.925114    285.722     
1 1 1 23 14 29 o 18.0191 5.28242 0.0310134    0.836264  2.29526      0.957465  21.7166     270.059     10.7502     270.059     
1 1 1 23 14 30 o 12.6294 4.27179 -0.592653    0.73732   0.529282     0.837158  9.71291     254.884     2.32766     254.884     
1 1 1 23 14 31 o 16.3005 5.20115 0.0340759    0.905376  1.97738      1.0284    16.5426     123.627     9.45121     123.627     
1 1 1 23 14 32 o 11.9706 4.13781 -0.158944    0.916777  -0.389307    0.771894  9.08585     166.898     4.02439     346.898     
1 1 1 23 14 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 15 0  o 19.131  6.48206 1.24376      0.73975   1.24376      0.73975   20.4191     270         7.51445     90          
1 1 1 23 15 1  o 21.0079 5.12296 1.69168      0.732288  0.567436     0.738014  28.8565     61.8536     9.46423     61.8536     
1 1 1 23 15 2  o 18.0889 4.6229  -0.314605    0.648323  1.53161      0.697846  12.3354     194.414     18.3064     14.4141     
1 1 1 23 15 3  o 9.41068 3.25419 -1.25358     0.513065  -0.376634    0.540002  5.01279     331.038     7.86364     151.038     
1 1 1 23 15 4  o 15.3789 4.62308 0.260474     0.661758  0.509127     0.634981  4.19661     90.2294     3.03546     90.2294     
1 1 1 23 15 5  o 16.8926 4.82704 1.06193      0.703462  0.0272853    0.696487  12.7393     228.985     13.8898     48.985      
1 1 1 23 15 6  o 19.5829 5.17727 0.557621     0.73185   1.41824      0.74826   19.3061     111.473     7.32743     291.473     
1 1 1 23 15 7  o 19.6657 4.63131 1.84095      0.705904  -0.206672    0.684946  29.9674     271.99      21.4522     271.99      
1 1 1 23 15 8  o 22.2793 5.42793 1.21052      0.771512  1.60077      0.763833  29.9558     102.156     8.39878     102.156     
1 1 1 23 15 9  o 20.8811 5.33219 1.40733      0.768341  1.03608      0.717133  16.6199     52.4223     16.3533     232.422     
1 1 1 23 15 10 f 15.0978 4.69234 0.459235     0.712278  0.172027     0.711829  24.9743     129.064     0           0           
1 1 1 23 15 11 o 16.1621 4.7144  0.9914       0.685394  -0.0652009   0.690527  17.8204     301.345     11.4424     301.345     
1 1 1 23 15 12 o 12.0752 4.01809 -0.131985    0.672803  -0.37368     0.617247  10.6068     38.8055     1.19309     218.806     
1 1 1 23 15 13 o 9.70713 3.37032 -1.11195     0.56699   -0.543057    0.59507   5.10348     98.4587     6.79595     278.459     
1 1 1 23 15 14 o 20.634  5.37061 1.713        0.799861  0.823227     0.77273   25.2977     155.054     4.10127     155.054     
1 1 1 23 15 15 o 12.8632 4.28415 0.0270445    0.695812  -0.474606    0.806258  11.3075     230.288     1.60136     50.288      
1 1 1 23 15 16 o 15.3041 4.7145  0.381195     0.712919  0.53707      0.693855  14.165      140.877     8.11404     140.877     
1 1 1 23 15 17 o 14.0801 4.45801 0.202618     0.69284   0.307902     0.650153  11.9028     90.7631     6.02664     90.7631     
1 1 1 23 15 18 o 15.1082 4.67637 0.792734     0.722045  0.0532758    0.710345  15.2288     258.785     8.14934     258.785     
1 1 1 23 15 19 o 17.1932 5.35352 0.584143     1.03878   1.09021      0.872969  13.1516     247.928     12.0813     67.9285     
1 1 1 23 15 20 o 10.5263 3.68367 -2.20658     0.843263  -0.371599    0.717273  5.93496     185.396     7.83219     5.39627     
1 1 1 23 15 21 o 13.4296 4.34759 -0.260433    0.695183  0.501597     0.698502  11.115      314.764     5.3081      134.764     
1 1 1 23 15 22 o 11.261  3.82718 -0.523314    0.642754  -0.17408     0.662804  6.60619     188.406     1.19521     188.406     
1 1 1 23 15 23 o 27.1375 5.79988 2.34793      0.919009  2.80476      0.875963  34.7104     329.215     7.23644     329.215     
1 1 1 23 15 24 o 15.2256 4.78159 0.358905     0.795323  0.790533     0.738948  14.6957     249.385     6.38504     249.385     
1 1 1 23 15 25 o 16.0139 4.97336 1.06083      0.78102   0.435734     0.859529  15.9917     287.648     0.949663    287.648     
1 1 1 23 15 26 o 14.4588 4.69328 0.503863     0.762371  0.33415      0.84942   8.86433     219.721     4.28727     219.721     
1 1 1 23 15 27 o 13.4827 4.44058 -1.03469     0.720594  1.07836      0.848396  10.3615     217.642     3.48825     217.642     
1 1 1 23 15 28 o 15.537  4.96567 0.422292     0.782507  1.16449      0.919477  15.5202     235.728     7.22637     235.728     
1 1 1 23 15 29 o 13.275  4.45427 -0.457814    0.745562  0.830167     0.890502  9.32831     50.1725     4.02522     50.1725     
1 1 1 23 15 30 o 13.6236 4.57421 0.414149     0.822743  0.119966     0.944593  2.93744     202.553     1.68186     202.553     
1 1 1 23 15 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 16 0  o 17.4645 6.32051 1.09205      0.724069  1.09205      0.724069  26.6143     270         10.5797     270         
1 1 1 23 16 1  o 21.7432 5.20945 1.06944      0.715529  1.5514       0.707887  34.0176     171.519     22.5522     171.519     
1 1 1 23 16 2  o 11.4453 3.80442 -0.0520692   0.596728  -0.555284    0.563184  8.05775     195.492     2.61554     195.492     
1 1 1 23 16 3  o 15.0249 4.54903 0.222091     0.654509  0.510637     0.620756  13.424      283.688     6.2712      103.688     
1 1 1 23 16 4  o 16.6102 4.75286 0.424075     0.648324  0.813241     0.639781  14.7007     177.467     8.23406     357.467     
1 1 1 23 16 5  o 11.5715 3.83346 -0.56345     0.587392  -0.0104187   0.583878  8.84265     309.499     5.08129     129.499     
1 1 1 23 16 6  f 28.5022 5.23951 2.45363      0.790304  1.97481      0.78061   26.191      342.429     0           0           
1 1 1 23 16 7  f 17.0811 4.90839 0.845426     0.686616  0.568531     0.68153   8.07014     139.541     0           0           
1 1 1 23 16 8  o 21.4944 5.33456 1.07323      0.765925  1.61825      0.741385  32.2924     263.781     19.2268     263.781     
1 1 1 23 16 9  o 12.5894 4.06503 0.542467     0.664543  -1.06779     0.604993  9.43597     353.696     3.82124     353.696     
1 1 1 23 16 10 o 26.2962 5.69068 2.1172       0.867672  2.10357      0.82957   38.1759     177.1       15.761      177.1       
1 1 1 23 16 11 o 23.9195 5.73339 1.98459      0.851454  1.67115      0.850349  34.2034     194.985     14.7727     194.985     
1 1 1 23 16 12 o 14.4122 4.55397 0.460521     0.706605  0.0726959    0.693119  10.4392     201.348     10.2453     21.3477     
1 1 1 23 16 13 o 34.4837 5.37932 3.05991      0.954925  3.66869      0.920986  46.1507     228.255     9.55949     228.255     
1 1 1 23 16 14 o 15.4412 4.75929 0.579562     0.730366  0.43239      0.701529  11.0047     90.8382     6.96012     90.8382     
1 1 1 23 16 15 f 15.6787 4.6182  -0.361187    0.708856  1.16122      0.698506  8.78874     196.487     0           0           
1 1 1 23 16 16 o 15.3094 4.70643 0.625586     0.724482  0.421621     0.667261  17.3852     145.17      6.53151     145.17      
1 1 1 23 16 17 o 17.8041 5.16805 0.663646     0.776211  1.26827      0.781631  16.6725     120.475     6.17034     300.475     
1 1 1 23 16 18 o 28.5272 5.34646 3.29376      0.870572  1.79519      0.808513  37.1749     186.084     7.5626      186.084     
1 1 1 23 16 19 o 13.2538 4.36304 -0.340903    0.680147  0.488684     0.778974  11.3316     346.549     4.41665     346.549     
1 1 1 23 16 20 o 15.3452 4.94202 0.728876     0.909022  0.421209     0.818487  11.7155     199.451     6.79176     199.451     
1 1 1 23 16 21 o 19.7263 5.37356 2.71783      1.00717   0.169295     0.689045  4.07742     129.616     3.19074     129.616     
1 1 1 23 16 22 o 9.83401 3.43207 -1.16543     0.642535  -0.491173    0.627624  3.93151     207.864     2.82112     27.8641     
1 1 1 23 16 23 o 11.4534 3.8849  -0.00292003  0.674326  -0.592617    0.662461  3.90803     333.886     0.312928    333.886     
1 1 1 23 16 24 o 21.4222 5.50015 1.28713      0.836124  2.09857      0.811769  28.3897     77.8784     12.4582     77.8784     
1 1 1 23 16 25 o 12.8724 4.27759 0.259732     0.771719  -0.0562602   0.678223  6.94433     292.926     2.53649     292.926     
1 1 1 23 16 26 f 13.0649 4.28635 -0.792509    0.732044  0.795486     0.741772  10.1789     359.504     0           0           
1 1 1 23 16 27 o 20.0412 5.45641 1.219        0.873654  2.06704      0.818542  23.3048     279.806     3.98065     279.806     
1 1 1 23 16 28 o 12.2933 4.11425 0.555271     0.728403  -0.733627    0.702188  10.4126     262.062     0.92604     262.062     
1 1 1 23 16 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 16 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 17 0  o 8.11133 3.96082 -0.259903    0.56082   -0.259903    0.56082   0.240423    90          0.258705    270         
1 1 1 23 17 1  o 17.0466 4.47149 -0.354492    0.612126  1.46013      0.663321  20.614      122.576     4.99042     122.576     
1 1 1 23 17 2  o 13.504  4.20925 0.620638     0.627007  -0.438466    0.58971   13.4367     192.26      2.89113     192.26      
1 1 1 23 17 3  o 16.1827 4.7628  0.659454     0.665379  0.566843     0.656904  19.0601     254.098     5.99864     254.098     
1 1 1 23 17 4  o 24.4921 4.93462 0.64437      0.743189  2.77826      0.801955  34.8074     39.6626     13.3911     39.6626     
1 1 1 23 17 5  o 22.0511 5.48674 1.48084      0.765637  1.52797      0.79114   32.728      152.667     19.2739     152.667     
1 1 1 23 17 6  o 8.54549 2.99166 -0.692362    0.497766  -1.03845     0.487263  2.01837     225.612     1.84368     45.6121     
1 1 1 23 17 7  o 21.6497 5.4113  1.32478      0.761028  1.57093      0.760563  17.9229     115.196     14.5978     295.196     
1 1 1 23 17 8  o 14.0749 4.4129  -0.195368    0.653331  0.609308     0.669285  14.2834     88.4753     1.76596     88.4753     
1 1 1 23 17 9  o 13.9905 4.42926 -0.115523    0.680511  0.512222     0.671825  13.6429     163.359     0.176462    343.359     
1 1 1 23 17 10 o 13.2309 4.24438 -0.696574    0.683303  0.581323     0.667834  12.308      141.44      0.588583    321.44      
1 1 1 23 17 11 o 16.3284 4.87449 1.02755      0.748067  0.298365     0.696954  19.5983     98.9461     8.38762     98.9461     
1 1 1 23 17 12 o 11.4682 3.83921 0.09696      0.629493  -0.715635    0.60116   8.97863     79.356      1.72426     259.356     
1 1 1 23 17 13 o 11.0297 3.71748 -0.0212793   0.596337  -0.740618    0.599546  8.15601     64.4673     2.18069     244.467     
1 1 1 23 17 14 o 14.2409 4.47391 0.123221     0.707555  0.522352     0.639925  15.1395     196.157     4.91647     196.157     
1 1 1 23 17 15 o 24.664  5.66403 1.8972       0.819879  2.21392      0.842067  33.6338     136.483     11.532      136.483     
1 1 1 23 17 16 o 13.6192 4.3366  0.0504386    0.675078  0.436432     0.631563  9.78718     277.498     8.91275     97.4985     
1 1 1 23 17 17 o 12.0786 4.01472 0.193661     0.667665  -0.394182    0.621698  3.94126     20.5838     1.53007     20.5838     
1 1 1 23 17 18 o 13.384  4.28736 0.592941     0.669818  -0.232262    0.64699   11.5912     257.678     1.87239     77.678      
1 1 1 23 17 19 o 18.5103 5.21897 0.605852     0.728717  1.75928      0.834825  20.4031     5.30273     13.2625     5.30273     
1 1 1 23 17 20 o 14.9897 4.83305 0.450164     0.880872  0.60517      0.790587  12.5542     226.229     5.46573     226.229     
1 1 1 23 17 21 o 14.4531 4.70069 1.09368      0.918335  -0.232284    0.675873  12.7419     330.495     1.2689      150.495     
1 1 1 23 17 22 o 15.6669 4.78085 0.456039     0.74772   0.921557     0.698643  15.1926     150.693     7.26674     150.693     
1 1 1 23 17 23 o 17.1019 5.09577 1.25996      0.802736  0.810612     0.743707  19.6592     210.072     8.64376     210.072     
1 1 1 23 17 24 o 15.2411 4.74705 1.06492      0.767478  0.28586      0.715282  14.836      250.618     7.1702      250.618     
1 1 1 23 17 25 o 14.5806 4.64239 0.558474     0.788684  0.622907     0.695016  11.87       296.252     6.30542     296.252     
1 1 1 23 17 26 o 13.3308 4.32904 -0.40185     0.717063  0.795988     0.715116  11.6462     231.583     4.63505     231.583     
1 1 1 23 17 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 17 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 18 0  o 21.5701 6.62193 1.60066      0.76553   1.60066      0.76553   35.5143     270         18.463      270         
1 1 1 23 18 1  o 15.0417 4.62999 0.516496     0.6885    0.404672     0.662652  15.9765     320.684     7.76058     320.684     
1 1 1 23 18 2  o 13.5906 4.29825 0.552376     0.651569  -0.24011     0.628177  13.4663     351.025     4.07249     351.025     
1 1 1 23 18 3  o 16.5216 4.87252 0.893359     0.698315  0.519286     0.70378   19.9691     347.932     7.84133     347.932     
1 1 1 23 18 4  o 16.6249 4.7852  0.0719655    0.676669  1.24983      0.717326  17.8611     17.4925     0.27556     17.4926     
1 1 1 23 18 5  o 20.0903 5.29546 1.4507       0.747561  1.10484      0.741247  27.8531     302.562     13.8799     302.562     
1 1 1 23 18 6  o 28.1867 5.54169 2.22122      0.870058  2.68545      0.827773  37.4371     258.134     9.18971     258.134     
1 1 1 23 18 7  o 23.425  5.4195  2.22167      0.804438  1.30356      0.763644  29.0048     355.139     4.59626     355.139     
1 1 1 23 18 8  o 12.9658 4.15257 -0.108484    0.623334  0.323435     0.596617  11.8164     265.518     1.18149     85.5177     
1 1 1 23 18 9  o 14.6516 4.52059 0.386109     0.660796  0.490099     0.636222  12.9001     34.2815     5.11457     214.282     
1 1 1 23 18 10 o 9.05713 3.16344 -0.647031    0.559289  -0.930914    0.511043  2.45043     184.565     0.604752    4.56488     
1 1 1 23 18 11 f 16.4049 4.81114 0.324748     0.7226    1.08476      0.685388  6.50725     216.502     0           0           
1 1 1 23 18 12 o 19.5851 5.31106 1.08181      0.761949  1.51751      0.766826  20.9673     133.38      1.31089     313.38      
1 1 1 23 18 13 o 14.812  4.57276 0.793018     0.675361  0.133625     0.690068  15.0544     114.143     1.32547     114.143     
1 1 1 23 18 14 o 12.6215 4.07157 -0.580365    0.616689  0.55091      0.629408  5.62211     271.25      2.35285     271.25      
1 1 1 23 18 15 o 17.5212 5.08483 0.970466     0.75255   1.03381      0.72731   20.4248     282.788     11.0906     282.788     
1 1 1 23 18 16 o 10.944  3.71139 -0.0759056   0.62264   -0.589838    0.590587  6.11362     300.963     1.61169     120.963     
1 1 1 23 18 17 o 13.9604 4.41898 0.664559     0.679321  0.0202318    0.660862  12.3594     100.904     0.559004    100.904     
1 1 1 23 18 18 o 17.3296 4.89865 0.193403     0.733569  1.56818      0.740896  19.9226     158.722     7.11691     158.722     
1 1 1 23 18 19 o 11.1368 3.78565 -0.247745    0.651197  -0.37568     0.625959  2.31052     68.4576     0.257876    68.4576     
1 1 1 23 18 20 o 16.6229 5.17383 1.54119      0.934333  0.354414     0.82814   14.0061     157.465     8.42242     157.465     
1 1 1 23 18 21 o 12.4791 4.21359 -0.0408073   0.870324  -0.0417629   0.656103  3.48674     329.029     1.37936     329.029     
1 1 1 23 18 22 o 16.8137 4.76518 -0.24006     0.731302  1.798        0.761627  16.2786     198.599     10.6104     198.599     
1 1 1 23 18 23 f 12.1911 4.07161 0.143576     0.694719  -0.0768821   0.653655  12.5568     343.848     0           0           
1 1 1 23 18 24 o 12.72   4.17086 0.660734     0.695219  -0.496467    0.661727  11.4074     339.857     0.83605     339.857     
1 1 1 23 18 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 18 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 19 0  o 12.0219 5.22276 0.488829     0.628959  0.488829     0.628959  9.10522     90          3.71902     90          
1 1 1 23 19 1  o 12.2513 3.93247 0.430968     0.571073  -0.482741    0.567038  10.0345     318.176     2.79903     318.176     
1 1 1 23 19 2  o 23.5242 5.17391 1.01427      0.75709   2.51012      0.785218  24.051      166.289     6.14538     346.289     
1 1 1 23 19 3  o 12.5155 4.03826 -0.331684    0.60287   0.379045     0.595046  1.2076      63.7247     0.602105    63.7247     
1 1 1 23 19 4  o 11.8083 3.88569 0.193626     0.602861  -0.355559    0.558613  7.21207     123.636     2.24968     123.636     
1 1 1 23 19 5  o 26.005  5.40708 1.8059       0.795886  2.52795      0.79404   35.6797     293.986     12.3431     293.986     
1 1 1 23 19 6  f 11.6508 3.84102 -0.74747     0.577954  0.339783     0.602851  10.7451     334.13      0           0           
1 1 1 23 19 7  o 11.7747 3.85706 0.265128     0.581742  -0.416022    0.556542  7.74946     334.892     1.69419     334.892     
1 1 1 23 19 8  o 17.2236 4.92032 0.983761     0.687371  0.84546      0.671674  18.967      154.042     2.20921     154.042     
1 1 1 23 19 9  o 9.27963 3.21319 -0.883352    0.525988  -0.416475    0.518605  1.23863     19.8261     0.551472    199.826     
1 1 1 23 19 10 o 17.8303 4.89192 1.53594      0.715036  0.361657     0.687126  19.5984     91.4296     1.84071     91.4296     
1 1 1 23 19 11 o 15.2544 4.58795 0.257539     0.644266  0.895858     0.658482  14.442      127.452     6.90503     127.452     
1 1 1 23 19 12 o 13.7057 4.35996 0.300707     0.672445  0.335168     0.627382  9.18223     101.225     3.70283     101.225     
1 1 1 23 19 13 o 12.6533 4.11627 -0.346597    0.676906  0.40225      0.614358  8.71859     35.3804     1.27768     35.3804     
1 1 1 23 19 14 o 9.3815  3.26158 -0.712999    0.549666  -0.651266    0.556128  2.94474     88.1266     6.57955     268.127     
1 1 1 23 19 15 o 16.5448 4.89836 0.904594     0.724871  0.801881     0.685234  16.869      63.0687     0.81923     63.0688     
1 1 1 23 19 16 o 12.3321 4.07511 0.101273     0.657879  -0.0487736   0.632896  9.19733     196.729     1.87444     16.729      
1 1 1 23 19 17 o 12.2531 4.04614 0.0184381    0.644139  0.0581827    0.625519  8.87764     53.2718     0.98182     53.2718     
1 1 1 23 19 18 o 11.3871 3.84303 0.157126     0.648449  -0.645122    0.63338   7.73609     163.539     1.51362     343.539     
1 1 1 23 19 19 o 10.147  3.49955 -1.06183     0.610794  -0.102391    0.602833  5.31136     185.321     5.5922      5.32146     
1 1 1 23 19 20 o 13.4573 4.37443 0.578249     0.676017  -0.0336525   0.768128  11.8119     1.28598     4.27739     1.28597     
1 1 1 23 19 21 o 13.6096 4.51678 -0.0122798   0.868525  0.524335     0.778069  12.8992     207.448     3.5061      207.448     
1 1 1 23 19 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 19 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 20 0  o 5.16849 2.66917 -0.90783     0.434649  -0.90783     0.434649  2.87634     90          9.349       90          
1 1 1 23 20 1  o 21.1118 5.11403 2.0094       0.740846  0.910425     0.690431  27.2232     228.193     9.63746     228.193     
1 1 1 23 20 2  o 16.7325 4.73378 0.360051     0.670079  1.21438      0.653634  19.0002     136.439     8.44498     136.439     
1 1 1 23 20 3  o 10.6174 3.56812 -0.0461705   0.550611  -0.47468     0.519426  2.21185     137.035     0.0756841   317.035     
1 1 1 23 20 4  o 8.45197 2.96021 -0.80048     0.504924  -0.755791    0.46469   1.1094      97.8949     9.31342     277.895     
1 1 1 23 20 5  o 12.5275 3.99449 0.592604     0.598448  -0.511901    0.561219  9.19044     46.2609     0.689573    46.2609     
1 1 1 23 20 6  o 14.5868 4.48283 0.532857     0.640652  0.473519     0.621663  13.4602     312.381     0.177985    312.38      
1 1 1 23 20 7  o 18.6064 4.72239 0.230103     0.685281  1.75355      0.675741  21.7432     298.032     13.784      298.032     
1 1 1 23 20 8  o 15.4078 4.50056 -0.0665015   0.646495  1.12548      0.642038  15.6269     311.419     3.09138     311.419     
1 1 1 23 20 9  o 12.0176 3.95896 -0.267348    0.602632  0.197873     0.611251  8.28596     136.271     2.54611     316.271     
1 1 1 23 20 10 o 16.5875 4.71837 1.42291      0.685998  -0.226348    0.811139  15.6723     197.514     9.26365     197.514     
1 1 1 23 20 11 f 13.0571 4.2863  -0.399107    0.600477  0.679574     0.776599  10.3734     86.4641     0           0           
1 1 1 23 20 12 o 19.2999 5.44009 1.18615      0.77755   1.66719      0.861979  23.2636     71.6184     14.5465     71.6184     
1 1 1 23 20 13 o 11.854  4.01483 -0.603912    0.618768  0.263723     0.760209  8.21549     147.434     0.137176    327.434     
1 1 1 23 20 14 o 13.3091 4.36555 0.315355     0.650559  0.109101     0.809711  6.21388     6.03395     2.90065     6.03395     
1 1 1 23 20 15 o 9.22509 3.27052 -1.28831     0.526504  -0.524031    0.692117  3.61448     334.078     5.65336     154.078     
1 1 1 23 20 16 o 13.5733 4.41338 -0.267305    0.642756  0.906285     0.787683  11.6281     277.812     4.46104     277.812     
1 1 1 23 20 17 o 16.8709 4.94797 1.45029      0.728363  0.423841     0.824137  19.9291     269.274     8.10253     269.274     
1 1 1 23 20 18 o 13.7003 4.47096 -0.253606    0.687714  0.90249      0.805469  13.2131     59.8463     2.03702     59.8463     
1 1 1 23 20 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 20 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 21 0  o 12.5768 5.33843 0.603038     0.625298  0.603038     0.625298  12.1767     270         1.28582     270         
1 1 1 23 21 1  o 11.5633 3.78404 -0.302382    0.550098  0.2187       0.541419  5.26406     353.268     0.930955    353.268     
1 1 1 23 21 2  o 11.9137 3.9422  -0.0293271   0.659248  -0.0133077   0.556089  7.63523     95.935      6.11813     275.935     
1 1 1 23 21 3  o 10.1008 3.4198  -0.468884    0.492786  -0.15145     0.525552  4.79255     326.123     2.96439     146.123     
1 1 1 23 21 4  o 12.8978 4.14791 0.0912297    0.59696   0.324277     0.61862   10.5363     75.9419     1.15772     75.9419     
1 1 1 23 21 5  o 14.8144 4.48917 0.749081     0.633225  0.388914     0.606393  12.564      259.786     6.31617     259.786     
1 1 1 23 21 6  o 13.1488 4.30793 -0.355972    0.567396  0.796475     0.796371  11.1303     334.401     0.763624    334.401     
1 1 1 23 21 7  o 12.5179 4.13433 0.148335     0.593678  -0.0287877   0.74726   9.30516     62.3054     1.82798     62.3054     
1 1 1 23 21 8  o 15.1913 4.71182 -0.143819    0.718919  1.2729       0.787031  14.7322     238.913     6.90893     238.913     
1 1 1 23 21 9  o 13.257  4.38782 0.247696     0.711501  0.140564     0.801526  11.3482     181.304     0.823125    1.30374     
1 1 1 23 21 10 o 11.6407 3.91082 0.278893     0.700701  -0.42599     0.55295   7.39403     108.68      1.28181     108.68      
1 1 1 23 21 11 o 14.4246 4.56548 0.790058     0.783212  0.341368     0.610618  14.4257     88.5704     4.0905      88.5704     
1 1 1 23 21 12 o 13.105  4.26694 0.0382355    0.787368  0.386103     0.595339  2.89904     6.22639     1.5384      6.22639     
1 1 1 23 21 13 o 17.4739 4.93367 0.544527     0.870187  1.43851      0.665404  20.7728     63.5839     12.7716     63.5839     
1 1 1 23 21 14 o 17.7753 5.1519  0.838217     0.906976  1.47795      0.72864   20.1292     214.48      3.9801      214.48      
1 1 1 23 21 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 21 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 21 17 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 22 0  o 10.9681 4.88596 0.395952     0.586438  0.395952     0.586438  1.73361     90          0.567382    90          
1 1 1 23 22 1  o 13.3991 4.19585 0.531716     0.570031  0.181242     0.601188  7.82102     278.94      4.10563     278.94      
1 1 1 23 22 2  o 13.0281 4.12887 0.233942     0.59316   0.370698     0.563385  11.0369     139.864     3.96762     139.864     
1 1 1 23 22 3  o 10.2092 3.50621 -0.280552    0.517792  -0.62546     0.665548  4.64155     196.566     0.0231271   16.5653     
1 1 1 23 22 4  o 19.3484 5.13728 0.270714     0.659001  2.54603      0.893886  20.4315     358.804     15.2906     358.804     
1 1 1 23 22 5  o 12.9115 4.25099 0.561197     0.698529  -0.425427    0.743137  11.2293     327.23      3.14428     327.23      
1 1 1 23 22 6  o 9.97773 3.45285 -0.404482    0.667868  -0.539962    0.494393  5.67437     4.82811     4.20866     184.828     
1 1 1 23 22 7  o 13.6116 4.28536 1.16522      0.733581  -0.569681    0.542279  13.3625     42.0792     3.65519     42.0792     
1 1 1 23 22 8  o 14.4131 4.30963 -0.257481    0.635295  1.04866      0.61276   15.3905     174.27      5.56835     174.27      
1 1 1 23 22 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 22 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 22 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 23 22 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 0  0  o 16.4538 7.64346 0.0475709    1.64359   0.0475709    1.64359   1.99361     360         0.675535    360         
1 1 1 24 0  1  o 15.0281 6.75335 0.451278     1.14859   0.451278     1.14859   16.337      270         7.56973     90          
1 1 1 24 0  2  o 14.9724 6.63402 0.504738     1.06555   0.504738     1.06555   18.6076     360         2.01956     180         
1 1 1 24 0  3  o 14.1561 6.14958 0.482711     0.871888  0.482711     0.871888  18.9264     270         4.07765     270         
1 1 1 24 0  4  o 7.81348 3.97173 -1.18845     0.781151  -1.18845     0.781151  1.66218     360         6.41115     180         
1 1 1 24 0  5  o 12.1526 5.60584 0.0943034    0.861465  0.0943034    0.861465  12.0493     270         5.82403     90          
1 1 1 24 0  6  o 19.8205 7.12523 1.27767      0.916524  1.27767      0.916524  26.2044     360         1.95584     180         
1 1 1 24 0  7  o 11.5386 5.38569 -0.00427501  0.831175  -0.00427501  0.831175  10.892      90          5.39894     270         
1 1 1 24 0  8  o 9.36154 4.5945  -0.520984    0.779078  -0.520984    0.779078  2.69974     180         17.2427     8.65162e-06 
1 1 1 24 0  9  f 35.3582 6.64531 3.02945      1.05229   3.02945      1.05229   32.778      90          0           0           
1 1 1 24 0  10 o 6.61026 3.41663 -1.63501     0.721916  -1.63501     0.721916  0.334418    8.65092e-06 6.63638     8.65093e-06 
1 1 1 24 0  11 o 18.5759 6.67981 1.11495      0.805657  1.11495      0.805657  30.6582     90          12.0253     90          
1 1 1 24 0  12 o 6.50935 3.35971 -1.49057     0.682424  -1.49057     0.682424  2.79907     180         17.2233     180         
1 1 1 24 0  13 o 11.5625 5.28727 0.138792     0.743524  0.138792     0.743524  10.7518     270         1.62323     270         
1 1 1 24 0  14 o 18.8052 6.85894 1.17521      0.856911  1.17521      0.856911  15.0209     180         21.1563     8.65135e-06 
1 1 1 24 0  15 o 11.2772 5.22306 0.0682239    0.758919  0.0682239    0.758919  11.1296     90          0.137201    270         
1 1 1 24 0  16 o 23.3305 7.02567 1.66445      0.863769  1.66445      0.863769  29.0293     180         5.23891     360         
1 1 1 24 0  17 o 8.23853 4.1381  -0.832047    0.753443  -0.832047    0.753443  1.49303     90          23.3887     90          
1 1 1 24 0  18 o 15.4807 6.36116 0.788744     0.838089  0.788744     0.838089  19.5395     0           1.92535     180         
1 1 1 24 0  19 o 6.71261 3.44647 -1.23939     0.664983  -1.23939     0.664983  0.0161817   270.002     0.0647098   90.0022     
1 1 1 24 0  20 o 9.95615 4.77282 -0.168315    0.735193  -0.168315    0.735193  5.85622     180         1.15087     180         
1 1 1 24 0  21 o 9.39245 4.59584 -0.381025    0.764737  -0.381025    0.764737  6.0744      90.0001     0.165367    90.0001     
1 1 1 24 0  22 o 27.6281 7.29749 2.31413      0.973491  2.31413      0.973491  22.5136     180         28.8224     8.65225e-06 
1 1 1 24 0  23 o 10.2694 4.92483 -0.117958    0.784229  -0.117958    0.784229  8.08244     90.0001     2.41915     90.0001     
1 1 1 24 0  24 o 17.358  6.70539 1.1573       0.859447  1.1573       0.859447  29.8225     180         15.4454     180         
1 1 1 24 0  25 o 14.5212 6.17588 0.766136     0.84015   0.766136     0.84015   14.8623     90          10.0559     90          
1 1 1 24 0  26 o 13.6241 5.97069 0.635257     0.83927   0.635257     0.83927   17.6378     3.62705e-09 1.29612     3.62705e-09 
1 1 1 24 0  27 o 8.15125 4.1174  -0.820585    0.786291  -0.820585    0.786291  1.52094     89.9999     0.842082    270         
1 1 1 24 0  28 o 6.52394 3.37319 -1.43777     0.707733  -1.43777     0.707733  0.217446    7.21747e-06 2.89211     180         
1 1 1 24 0  29 o 11.1184 5.28592 0.141174     0.866287  0.141174     0.866287  10.2534     90          5.32238     270         
1 1 1 24 0  30 o 10.8946 5.22819 0.0825635    0.886853  0.0825635    0.886853  8.62222     180         8.95015     8.61253e-06 
1 1 1 24 0  31 o 16.4976 6.7354  1.26874      0.930205  1.26874      0.930205  10.2938     90          22.1096     270         
1 1 1 24 0  32 o 14.7917 6.34243 1.01263      0.901064  1.01263      0.901064  17.8685     180         1.24872     8.66952e-06 
1 1 1 24 0  33 o 9.73175 4.77508 -0.15609     0.84024   -0.15609     0.84024   6.50311     90          2.89502     270         
1 1 1 24 0  34 o 8.29179 4.18289 -0.645268    0.801246  -0.645268    0.801246  2.29992     360         4.70041     180         
1 1 1 24 0  35 o 11.537  5.38339 0.40364      0.829499  0.40364      0.829499  5.63443     90          1.54317     90          
1 1 1 24 0  36 o 18.0445 7.1424  1.70932      1.00244   1.70932      1.00244   10.2384     180         7.73763     180         
1 1 1 24 0  37 o 10.4576 5.3228  -0.571243    1.42374   -0.571243    1.42374   4.05994     90          0.709544    90          
1 1 1 24 0  38 o 12.3739 5.70846 0.675065     0.893602  0.675065     0.893602  13.0947     180         2.5685      8.65143e-06 
1 1 1 24 0  39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 1  0  o 18.6925 7.19084 1.14697      0.98418   1.14697      0.98418   1.93026     180         55.4269     180         
1 1 1 24 1  1  o 26.7286 6.02594 2.46051      1.02099   0.974976     0.982621  28.7527     306.475     12.6708     126.475     
1 1 1 24 1  2  o 22.7522 5.9734  0.611476     0.959025  1.65632      0.990186  24.4126     311.928     9.57588     131.928     
1 1 1 24 1  3  o 29.8003 6.00086 1.3212       1.00581   3.03407      1.05639   47.5631     4.20587     17.9454     4.20587     
1 1 1 24 1  4  o 15.493  4.97513 -0.35161     0.868883  0.0333376    0.876473  17.1504     133.459     8.38145     133.459     
1 1 1 24 1  5  o 23.7558 5.81851 2.0636       0.983249  0.480287     0.907517  38.6255     40.532      19.6814     40.532      
1 1 1 24 1  6  o 24.9117 5.69633 1.95066      0.866585  0.948948     0.892709  33.5846     256.392     3.2297      256.392     
1 1 1 24 1  7  o 17.5169 5.05111 1.07361      0.815568  -0.720963    0.834771  13.9588     243.34      15.971      63.34       
1 1 1 24 1  8  o 17.358  5.04451 -0.522567    0.78766   1.00867      0.817649  22.8658     307.706     6.23834     307.706     
1 1 1 24 1  9  o 28.377  5.76333 2.29654      0.900148  1.607        0.912949  34.4835     349.81      5.42943     169.81      
1 1 1 24 1  10 o 13.8105 4.51858 -0.574063    0.745679  -0.104131    0.787115  14.6502     258.131     1.527       258.131     
1 1 1 24 1  11 o 24.3469 5.28259 2.32129      0.852288  0.275058     0.876074  30.3386     316.241     1.98648     136.241     
1 1 1 24 1  12 o 15.7436 4.93541 -0.0162672   0.768783  0.202133     0.831409  17.6298     80.1186     0.557588    260.119     
1 1 1 24 1  13 o 16.9549 5.17772 0.299767     0.812877  0.326914     0.84967   21.8814     2.22954     6.48999     2.22954     
1 1 1 24 1  14 o 31.2016 5.78091 2.57248      0.914023  2.25021      0.987708  49.1816     118.692     17.6822     118.692     
1 1 1 24 1  15 o 17.3549 5.13842 0.78124      0.809244  0.0656399    0.778151  23.7101     320.942     12.0247     320.942     
1 1 1 24 1  16 o 13.9681 4.51742 -0.650101    0.739164  0.179848     0.758674  12.9414     52.0143     5.97202     232.014     
1 1 1 24 1  17 o 24.1037 5.75812 1.53207      0.847957  1.4726       0.860971  21.0769     342.465     20.0132     162.465     
1 1 1 24 1  18 f 11.6229 3.97049 -0.402967    0.738848  -1.29393     0.718443  12.8001     75.8369     0           0           
1 1 1 24 1  19 o 39.2876 5.24    3.2156       1.0139    4.30385      1.03643   52.7537     39.5563     1.7864      39.5563     
1 1 1 24 1  20 o 12.9422 4.3081  -0.439424    0.738924  -0.308235    0.750217  10.0912     234.011     9.71842     54.0113     
1 1 1 24 1  21 o 13.9845 4.53238 0.368478     0.778437  -0.75657     0.761302  16.5359     279.697     7.14664     279.697     
1 1 1 24 1  22 o 15.9824 4.80091 -0.799555    0.745426  1.12729      0.812979  21.4876     62.7388     12.3862     62.7388     
1 1 1 24 1  23 o 15.6821 4.88167 0.592634     0.788638  0.0706381    0.766672  21.0187     265.705     10.8699     265.705     
1 1 1 24 1  24 o 13.2565 4.38046 -0.861794    0.76413   0.282862     0.773137  11.8381     57.3234     6.88879     57.3234     
1 1 1 24 1  25 o 15.9026 4.92714 -0.169993    0.801509  0.904655     0.816826  21.3532     231.718     9.52817     231.718     
1 1 1 24 1  26 o 15.7331 4.86404 -0.466153    0.786164  1.08306      0.830447  20.2247     243.389     6.83422     243.389     
1 1 1 24 1  27 o 11.3188 3.90496 -0.435971    0.764353  -1.00253     0.725653  5.38188     52.5596     2.04333     52.5596     
1 1 1 24 1  28 o 15.9962 5.04755 0.803617     0.848785  0.295461     0.873992  1.20246     84.3116     0.841639    84.3116     
1 1 1 24 1  29 o 13.426  4.53523 -0.325641    0.913676  0.00262866   0.865961  13.9992     143.292     4.26981     143.292     
1 1 1 24 1  30 o 15.9167 4.99831 -0.0900347   0.883439  1.17806      0.858805  15.985      282.779     10.2362     282.779     
1 1 1 24 1  31 o 18.4106 5.4673  1.44883      0.890657  1.04628      0.88587   17.9808     348.986     7.51863     168.986     
1 1 1 24 1  32 o 11.6811 4.01758 -0.318379    0.744757  -0.554281    0.81023   4.85594     84.5086     1.99382     84.5086     
1 1 1 24 1  33 o 12.6141 6.02971 -2.87592     0.744594  -0.076429    0.785706  8.26714     16.3489     3.28049     196.349     
1 1 1 24 1  34 o 12.1878 4.1719  -0.0656787   0.807485  -0.420974    0.814894  9.81432     136.448     1.79503     316.448     
1 1 1 24 1  35 o 11.6811 4.06504 0.125371     0.886546  -1.35094     0.814023  5.41224     11.4545     1.29784     11.4545     
1 1 1 24 1  36 f 11.4115 4.03397 -0.811499    0.978258  -1.11467     1.00625   4.32039     135.822     0           0           
1 1 1 24 1  37 o 15.6701 5.31428 1.53326      1.19267   0.671926     1.3597    10.1781     183.58      6.40645     183.58      
1 1 1 24 1  38 o 13.0795 4.59747 1.59254      1.21458   -1.94002     0.897832  6.55333     15.1833     3.49        15.1833     
1 1 1 24 1  39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 2  0  o 29.2329 6.70124 2.19867      0.897704  2.19867      0.897704  48.1706     7.76647e-07 15.7597     7.76647e-07 
1 1 1 24 2  1  o 19.6995 5.17747 1.33944      0.784058  0.0193667    0.765988  29.9147     141.038     14.9289     141.038     
1 1 1 24 2  2  f 30.5412 5.8824  1.65581      1.005     2.84779      0.974642  51.995      273.265     0           0           
1 1 1 24 2  3  o 13.67   4.51961 -0.102371    0.850487  -0.885339    0.741087  10.9823     275.161     9.56796     95.1609     
1 1 1 24 2  4  o 36.9638 5.32692 2.83963      1.00611   3.38093      0.964429  58.8791     117.418     19.2488     117.418     
1 1 1 24 2  5  o 22.0608 5.71441 1.37196      0.885961  0.801145     0.842734  19.4302     157.458     15.7482     157.458     
1 1 1 24 2  6  o 17.586  5.17177 1.00709      0.881166  -0.409865    0.780304  24.0666     47.0797     9.89695     47.0797     
1 1 1 24 2  7  o 20.5167 5.37255 -0.144883    0.89624   1.54197      0.840566  11.5261     13.5892     30.1634     193.589     
1 1 1 24 2  8  o 14.8222 4.65551 -0.461637    0.732457  0.317248     0.738146  17.1353     39.46       6.25491     39.46       
1 1 1 24 2  9  o 14.9454 4.68955 -0.0599087   0.707978  0.105548     0.741054  17.1227     69.7049     1.99667     69.7048     
1 1 1 24 2  10 o 12.6223 4.18166 -1.26545     0.724927  -0.0152812   0.709683  7.39998     34.8294     14.4397     214.829     
1 1 1 24 2  11 o 15.5669 4.75087 -0.792876    0.785394  0.674441     0.751166  18.5686     322.936     2.88721     322.936     
1 1 1 24 2  12 o 13.1379 4.3696  -0.447707    0.725486  -0.521142    0.800037  11.832      207.285     3.92592     207.285     
1 1 1 24 2  13 o 19.0669 5.24066 1.33552      0.821734  -0.23756     0.850219  26.2084     67.1432     7.58964     67.1432     
1 1 1 24 2  14 o 22.1575 5.70615 0.692547     0.82089   1.65394      0.924908  26.981      167.805     1.61417     347.805     
1 1 1 24 2  15 o 25.1026 5.86341 1.59369      0.854385  1.62081      0.919697  40.4253     20.1787     32.5351     20.1787     
1 1 1 24 2  16 o 15.9123 4.95176 0.50125      0.800533  -0.260678    0.825138  20.3328     104.725     8.42246     104.725     
1 1 1 24 2  17 o 14.7798 4.71239 0.340328     0.754406  -0.577731    0.835765  15.0883     164.083     3.82132     344.083     
1 1 1 24 2  18 o 16.3668 5.01134 0.361424     0.776243  0.321681     0.789846  14.9287     91.4923     9.80284     271.492     
1 1 1 24 2  19 o 12.1337 4.11518 -0.868865    0.739427  -0.45635     0.754191  6.69688     22.1507     14.8677     202.151     
1 1 1 24 2  20 o 23.3919 5.5836  0.740897     0.85039   2.15876      0.887889  29.8913     121.383     0.918474    121.383     
1 1 1 24 2  21 o 24.5581 5.89272 1.54033      0.904054  1.90529      0.896917  22.7539     26.022      17.3296     206.022     
1 1 1 24 2  22 o 24.2204 5.74366 1.4073       0.858371  1.95329      0.86434   29.9796     166.7       1.10204     346.7       
1 1 1 24 2  23 o 21.3049 5.67081 1.34223      0.847529  1.30977      0.855989  31.5717     69.6526     12.1672     69.6526     
1 1 1 24 2  24 o 14.5894 4.5983  0.90142      0.800058  -1.0799      0.754875  18.1447     170.167     9.97289     170.167     
1 1 1 24 2  25 o 13.4608 4.42494 -0.445029    0.729712  0.231944     0.772696  10.7577     214.547     6.33147     214.547     
1 1 1 24 2  26 o 18.7418 5.39385 1.24498      0.843785  0.799925     0.813662  27.3225     275.974     13.7135     275.974     
1 1 1 24 2  27 o 11.3236 3.90645 -1.34865     0.745431  -0.235608    0.758491  9.08488     325.762     4.53777     145.762     
1 1 1 24 2  28 o 13.0893 4.39411 0.321839     0.82829   -0.892031    0.818858  11.2524     83.6183     5.80079     263.618     
1 1 1 24 2  29 o 21.0075 5.61129 0.507316     0.904477  2.54014      0.973343  24.3567     70.6596     1.71111     250.66      
1 1 1 24 2  30 o 17.8009 5.38193 1.50819      0.915752  0.598652     0.892563  24.244      343.093     13.6521     343.093     
1 1 1 24 2  31 o 22.0193 6.04423 2.15384      1.00255   1.91525      0.973039  27.3385     80.5985     2.43127     80.5985     
1 1 1 24 2  32 o 15.4141 4.93183 1.26345      0.909632  -0.0692138   0.823458  17.261      125.041     1.74618     125.041     
1 1 1 24 2  33 o 14.5503 4.76629 -0.213972    0.913977  0.906259     0.860167  15.601      122.933     4.96712     122.933     
1 1 1 24 2  34 o 15.7392 5.06725 0.552398     0.922681  1.06439      0.910433  16.3754     197.033     7.81087     197.033     
1 1 1 24 2  35 o 13.3573 4.51737 0.17976      0.883089  0.0432861    0.886831  12.3445     188.975     0.153375    188.974     
1 1 1 24 2  36 f 12.9703 4.44743 -0.597799    0.920656  0.469889     0.946084  11.5845     191.402     0           0           
1 1 1 24 2  37 o 16.1411 5.41141 1.13536      1.2343    1.57481      1.20333   15.4788     127.088     4.18068     307.088     
1 1 1 24 2  38 o 12.9544 4.49091 -0.0638881   1.00253   0.0480401    1.04646   11.075      226.689     4.8723      226.689     
1 1 1 24 2  39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 3  0  o 7.82604 3.93085 -0.809025    0.679759  -0.809025    0.679759  2.03476     360         22.1988     360         
1 1 1 24 3  1  o 23.94   5.63803 1.40699      0.831066  1.27737      0.807775  32.8173     25.2584     4.7101      25.2584     
1 1 1 24 3  2  o 30.9601 5.58491 2.64143      0.910219  1.87863      0.907081  44.4025     239.42      7.25343     239.42      
1 1 1 24 3  3  o 21.8982 5.33077 1.61832      0.802785  0.441523     0.768706  31.7353     359.581     9.23101     359.581     
1 1 1 24 3  4  o 24.097  5.46782 1.9417       0.827416  0.687691     0.842746  37.2607     239.303     14.1923     239.303     
1 1 1 24 3  5  o 24.099  5.72483 1.89017      0.90439   0.828796     0.856048  39.0673     195.154     19.1632     195.154     
1 1 1 24 3  6  o 30.1328 5.70024 2.93031      0.988556  1.47854      0.888514  53.7307     215.856     30.8165     215.856     
1 1 1 24 3  7  o 33.0389 5.90709 2.50905      1.07113   2.77279      0.96131   32.8406     319.59      22.4398     139.59      
1 1 1 24 3  8  o 17.539  5.29843 0.61091      0.882896  0.0893733    0.837051  5.74535     184.712     33.2511     4.71167     
1 1 1 24 3  9  o 12.3176 4.15208 -1.28184     0.798419  -0.330437    0.713272  6.57721     18.985      15.2517     198.985     
1 1 1 24 3  10 o 26.8654 5.45406 2.26225      0.83591   1.20223      0.827235  39.7939     82.2201     10.633      82.2201     
1 1 1 24 3  11 o 23.4734 5.59783 0.902393     0.820272  1.73113      0.844657  23.5228     311.588     13.4427     131.588     
1 1 1 24 3  12 o 14.1855 4.58266 -0.0803798   0.754687  -0.27393     0.750372  6.25989     106.399     22.0142     286.399     
1 1 1 24 3  13 o 13.4085 4.36964 -0.247235    0.687381  -0.257309    0.720214  6.64091     195.721     18.7607     15.721      
1 1 1 24 3  14 o 25.8759 5.48068 2.3545       0.871785  0.941191     0.82303   39.0603     54.8169     12.6333     54.8169     
1 1 1 24 3  15 o 16.0896 4.79652 0.818333     0.73885   -0.556245    0.764107  20.8758     235.656     7.22829     235.656     
1 1 1 24 3  16 o 13.2491 4.40073 -0.672698    0.766292  -0.201944    0.779596  14.0571     186.149     2.6881      186.149     
1 1 1 24 3  17 o 14.8742 4.64525 0.766437     0.800588  -1.32984     0.782963  18.3408     114.38      6.28303     114.38      
1 1 1 24 3  18 o 22.3832 5.77322 1.10397      0.828115  1.5406       0.916582  30.0283     40.0474     4.61103     40.0473     
1 1 1 24 3  19 o 16.7803 5.1043  -0.0575675   0.807577  0.814692     0.840806  20.2388     173.26      13.3248     173.26      
1 1 1 24 3  20 o 16.4406 5.01708 -0.549269    0.780701  1.06235      0.884442  17.2634     93.3616     4.78327     273.362     
1 1 1 24 3  21 o 24.8535 5.24523 2.65529      0.859049  0.58796      0.839806  34.122      62.7354     5.3815      62.7354     
1 1 1 24 3  22 o 14.4395 4.5792  0.605983     0.759368  -0.632705    0.736084  16.8814     65.0488     1.5793      65.0488     
1 1 1 24 3  23 o 12.1082 4.11108 -0.350043    0.761415  -0.73126     0.73628   12.7318     249.59      3.9958      249.59      
1 1 1 24 3  24 o 16.6304 4.9644  1.12748      0.792269  -0.158112    0.785042  12.6356     238.835     15.4439     58.8352     
1 1 1 24 3  25 o 18.4971 5.39816 0.861564     0.85636   1.05009      0.827561  21.6801     2.78154     0.739603    182.782     
1 1 1 24 3  26 o 11.1581 3.85808 -0.961308    0.712785  -0.579487    0.762949  6.74793     319.008     10.8415     139.008     
1 1 1 24 3  27 o 13.1751 4.41355 -0.165197    0.785575  -0.151285    0.823295  8.87967     84.6614     4.60026     84.6614     
1 1 1 24 3  28 o 11.6611 4.03074 -0.85749     0.787877  -0.513359    0.823693  0.935784    356.431     0.400942    356.431     
1 1 1 24 3  29 o 13.9669 4.58964 -0.0193943   0.817696  0.332253     0.792862  15.342      137.714     5.79569     137.714     
1 1 1 24 3  30 o 17.7829 5.333   1.73908      0.918897  0.218651     0.920726  12.6555     49.8223     9.46233     49.8223     
1 1 1 24 3  31 o 14.7831 4.82565 0.279189     0.868637  0.584955     0.863507  17.2241     16.8218     7.6253      16.8218     
1 1 1 24 3  32 o 12.7588 4.319   0.478937     0.846905  -0.82164     0.792414  12.2115     272.244     2.22321     272.244     
1 1 1 24 3  33 o 12.7666 4.36426 0.0750234    0.882375  -0.409764    0.878302  10.6774     326.539     3.89669     146.539     
1 1 1 24 3  34 o 12.6099 4.28358 0.580185     0.839552  -1.19242     0.847198  10.2205     171.75      1.14884     171.75      
1 1 1 24 3  35 o 14.9466 4.84061 1.10371      0.883099  0.0799282    0.837543  6.45117     165.364     3.88682     165.364     
1 1 1 24 3  36 o 14.244  4.79248 0.564418     0.961677  0.382176     0.978928  4.57139     203.732     2.67258     203.732     
1 1 1 24 3  37 o 12.1722 4.19984 0.46097      0.878798  -1.02037     0.864617  9.80946     126.517     4.60053     306.517     
1 1 1 24 3  38 o 17.17   5.48881 1.54483      1.08239   1.53686      1.0095    21.9027     202.639     11.3059     202.639     
1 1 1 24 3  39 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 4  0  o 37.0423 5.47761 3.05055      0.926797  3.05055      0.926797  54.043      2.9e-06     6.29073     2.9e-06     
1 1 1 24 4  1  o 26.3524 5.52945 2.07135      0.842891  1.21454      0.819001  31.2536     292.948     6.32253     112.947     
1 1 1 24 4  2  o 14.9626 4.71864 -0.0160759   0.749703  -0.0184611   0.735778  6.43112     321.19      24.2668     141.19      
1 1 1 24 4  3  o 23.3983 5.38329 1.94965      0.826715  0.439936     0.843282  15.8092     342.199     29.77       162.199     
1 1 1 24 4  4  o 37.9896 4.75631 3.02814      0.900019  3.3064       0.903823  64.4922     227.486     27.9111     227.486     
1 1 1 24 4  5  o 13.4575 4.37624 -0.031652    0.717805  -0.589192    0.697982  13.0373     69.1309     4.39061     69.1309     
1 1 1 24 4  6  o 13.4655 4.38499 -1.07799     0.686837  0.206692     0.772996  7.77525     339.473     16.4851     159.473     
1 1 1 24 4  7  f 30.8867 5.66367 3.08687      0.990318  1.56907      0.89983   25.6396     107.537     0           0           
1 1 1 24 4  8  o 17.6889 5.29112 0.605795     0.883797  0.249203     0.790227  17.2755     252.56      8.76016     72.56       
1 1 1 24 4  9  o 13.5448 4.44245 0.293772     0.82587   -1.55082     0.740371  13.3489     63.8493     2.18007     243.849     
1 1 1 24 4  10 o 16.0215 5.03547 0.465276     0.907864  -0.323271    0.782022  16.8495     357.362     3.68678     177.362     
1 1 1 24 4  11 o 32.3546 5.25709 2.08206      0.8559    2.84415      0.879207  51.5155     305.435     18.6285     305.435     
1 1 1 24 4  12 o 19.3326 5.3295  1.08493      0.788526  0.397263     0.797123  26.1276     340.597     6.32851     340.597     
1 1 1 24 4  13 o 21.9207 5.22335 0.144294     0.806388  1.8983       0.817545  23.7309     104.337     8.28636     284.337     
1 1 1 24 4  14 o 33.6062 5.33083 3.86155      0.952074  1.68916      0.931584  38.8787     281.509     11.0128     101.509     
1 1 1 24 4  15 o 22.7654 5.64643 1.58699      0.838468  0.995588     0.840398  24.5062     125.768     8.84584     305.768     
1 1 1 24 4  16 o 18.2237 5.06602 -0.175849    0.757125  1.27663      0.792176  19.5367     208.281     5.64177     28.2806     
1 1 1 24 4  17 o 15.982  4.896   0.669758     0.789208  -0.192547    0.751024  20.4277     186.604     5.54447     186.604     
1 1 1 24 4  18 o 20.6271 5.54055 1.50064      0.86393   0.576173     0.833038  27.1905     174.914     3.96014     174.914     
1 1 1 24 4  19 o 22.4508 5.88276 1.26379      0.89138   1.52824      0.929601  32.5073     71.1404     10.2952     71.1404     
1 1 1 24 4  20 o 31.0563 5.99817 2.31049      0.985348  3.09745      1.01922   42.2634     117.793     4.55519     117.793     
1 1 1 24 4  21 o 13.5847 4.49213 0.197046     0.799546  -0.903687    0.823782  11.3786     17.1028     6.65497     17.1028     
1 1 1 24 4  22 o 16.1985 5.07603 0.539827     0.82621   0.235229     0.876816  22.0245     258.864     9.67995     258.864     
1 1 1 24 4  23 o 18.2037 5.05429 -0.193669    0.801308  1.54062      0.798129  13.8721     58.1911     11.1044     58.1911     
1 1 1 24 4  24 o 10.7967 3.7347  -0.262919    0.705029  -1.74591     0.708748  8.98596     78.0088     2.10331     78.0088     
1 1 1 24 4  25 o 14.4595 4.67208 0.311271     0.779253  -0.00900734  0.791032  15.8446     13.7137     8.64886     13.7137     
1 1 1 24 4  26 o 15.5161 4.93893 -0.113108    0.831594  0.833298     0.872323  8.75579     276.763     19.7015     96.763      
1 1 1 24 4  27 o 14.5991 4.75594 0.467694     0.840373  -0.0482361   0.837159  16.7591     354.104     5.315       354.104     
1 1 1 24 4  28 o 11.5831 3.99967 -1.39062     0.789653  -0.128907    0.799491  9.97627     321.57      1.04254     321.57      
1 1 1 24 4  29 o 12.7328 4.29172 -0.5172      0.81436   0.0841176    0.773045  7.66297     82.309      3.86786     82.309      
1 1 1 24 4  30 o 14.4041 4.71791 0.155953     0.855193  0.45926      0.82437   16.3847     209.267     7.03631     209.267     
1 1 1 24 4  31 o 16.9396 5.27946 0.0527657    0.983056  1.6869       0.958053  20.1955     104.213     3.14298     104.213     
1 1 1 24 4  32 o 13.6842 4.57055 0.522426     0.879361  -0.177259    0.825014  13.9551     247.609     3.4247      247.609     
1 1 1 24 4  33 o 13.1161 4.40944 0.380972     0.822058  -0.311567    0.827365  10.2068     234.148     3.59591     234.148     
1 1 1 24 4  34 o 11.9417 4.10488 -0.106775    0.820673  -0.535426    0.787811  8.66257     170.627     0.685668    170.627     
1 1 1 24 4  35 o 16.3217 5.22424 -0.0987371   0.972811  1.93004      1.03245   18.9259     224.713     5.38985     224.713     
1 1 1 24 4  36 o 13.134  4.51547 -0.537721    0.889663  0.663155     1.02761   5.01695     160.746     2.5683      160.746     
1 1 1 24 4  37 o 22.659  6.28803 2.72216      1.07414   2.88516      1.08278   30.2402     114.79      9.27954     114.79      
1 1 1 24 4  38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 5  0  o 15.1281 6.1431  0.688799     0.767585  0.688799     0.767585  21.7677     180         5.74241     180         
1 1 1 24 5  1  o 13.3086 4.28606 -1.21917     0.695488  0.279957     0.704805  13.1213     175.652     1.83056     355.652     
1 1 1 24 5  2  o 36.8564 4.96541 3.60505      0.934821  2.50744      0.889695  46.5484     228.402     5.61656     48.4024     
1 1 1 24 5  3  o 17.6285 4.88203 -0.436116    0.733121  1.12363      0.743625  21.7481     124.265     1.48567     124.265     
1 1 1 24 5  4  o 24.2466 5.47417 1.71185      0.799995  1.06176      0.78338   38.5419     229.172     16.9893     229.172     
1 1 1 24 5  5  o 17.8081 4.89899 -0.392631    0.721723  1.17198      0.752995  14.8414     89.791      14.9263     269.791     
1 1 1 24 5  6  o 14.9983 4.70524 -0.0384491   0.738064  0.101702     0.721574  9.04952     210.181     18.5367     30.1807     
1 1 1 24 5  7  o 23.9366 5.68226 1.28286      0.828342  1.48677      0.838124  33.3451     321.249     6.39823     321.249     
1 1 1 24 5  8  o 19.7318 5.33883 0.206113     0.758119  1.3346       0.847028  29.8198     189.002     16.9298     189.002     
1 1 1 24 5  9  o 41.3186 5.25929 3.68933      1.10943   4.18533      1.05373   62.6957     347.911     15.3296     347.911     
1 1 1 24 5  10 o 13.5516 4.50182 -0.0365372   0.865651  -0.969396    0.743667  13.1765     317.906     2.5503      137.906     
1 1 1 24 5  11 o 16.8601 5.19887 0.294757     0.889841  0.261113     0.819718  20.9113     3.06834     11.6738     3.06834     
1 1 1 24 5  12 o 12.589  4.18959 -0.178094    0.717024  -0.858568    0.705862  11.5461     293.725     3.07715     113.725     
1 1 1 24 5  13 o 20.893  5.11753 1.77859      0.794403  -0.113324    0.818196  32.3873     275.989     23.5815     275.989     
1 1 1 24 5  14 o 24.957  5.64147 1.20322      0.830683  1.96206      0.855353  21.6124     310.878     21.4286     130.878     
1 1 1 24 5  15 o 25.8513 5.74514 1.2834       0.857778  2.21085      0.904584  38.2439     298.958     11.3402     298.958     
1 1 1 24 5  16 o 16.8155 4.72456 1.24391      0.753747  -0.878098    0.732759  17.9615     67.7926     12.6993     67.7926     
1 1 1 24 5  17 o 21.4047 5.34223 1.827        0.834367  0.367267     0.791181  30.7392     151.929     24.2783     151.929     
1 1 1 24 5  18 o 17.3287 5.12948 0.93969      0.809763  0.0891771    0.787157  16.1455     147.005     10.1425     327.005     
1 1 1 24 5  19 o 21.5405 5.61701 0.971294     0.856674  1.51174      0.830446  20.5241     157.233     13.2907     337.233     
1 1 1 24 5  20 o 23.3529 5.5732  0.852392     0.902005  2.10953      0.84541   38.5851     89.86       21.3793     89.86       
1 1 1 24 5  21 o 15.7198 4.89389 -0.605031    0.765607  0.987966     0.872281  19.2423     333.685     2.6761      333.685     
1 1 1 24 5  22 o 14.5812 4.74045 0.139536     0.797522  -0.0189249   0.849351  18.0173     76.9885     9.26781     76.9885     
1 1 1 24 5  23 o 18.1105 5.40235 0.552534     0.845647  1.14245      0.903846  23.2797     255.945     4.15088     255.945     
1 1 1 24 5  24 o 15.3497 4.85307 -0.482043    0.778904  0.946881     0.869401  19.603      315.304     7.30467     315.304     
1 1 1 24 5  25 o 13.8546 4.38051 1.03126      0.779104  -2.00227     0.74618   13.6949     163.222     3.49492     343.222     
1 1 1 24 5  26 o 14.4925 4.75354 0.337235     0.901758  0.0117536    0.798416  6.50784     268.118     21.3859     88.1181     
1 1 1 24 5  27 o 20.2835 5.71985 1.95547      0.953211  0.926076     0.920264  19.1056     286.218     10.8849     106.218     
1 1 1 24 5  28 o 13.6421 4.39367 1.02266      0.79095   -1.66139     0.762055  14.0919     272.259     0.456627    92.259      
1 1 1 24 5  29 f 19.6973 5.49715 0.494577     0.910019  2.17277      0.92104   24.8148     247.912     0           0           
1 1 1 24 5  30 o 13.7001 4.56979 1.16075      0.9432    -1.66162     0.816178  15.0671     153.905     3.66129     153.905     
1 1 1 24 5  31 f 14.9907 4.82738 1.21445      0.879028  -0.440267    0.876303  7.18682     75.5006     0           0           
1 1 1 24 5  32 o 11.5431 4.00499 0.0233758    0.801425  -1.69165     0.906446  7.71778     138.538     1.27162     138.538     
1 1 1 24 5  33 o 11.5225 4.00286 -0.697647    0.796362  -0.378571    0.852086  7.54375     57.6043     0.101319    57.6042     
1 1 1 24 5  34 o 12.0448 4.16105 0.298392     0.886562  -1.17029     0.80565   9.4869      196.014     0.0218339   16.0141     
1 1 1 24 5  35 f 13.2839 4.52805 0.302204     0.919799  -0.104899    0.945811  16.79       171.997     0           0           
1 1 1 24 5  36 o 13.1534 4.45316 -0.373454    0.953159  0.579049     0.835516  12.8865     132.29      2.01405     132.29      
1 1 1 24 5  37 o 11.7594 4.0668  -0.217293    0.824737  -0.338817    0.826325  10.3309     35.1508     1.79344     35.1508     
1 1 1 24 5  38 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 6  0  o 9.67205 4.64332 -0.242717    0.700945  -0.242717    0.700945  6.27642     180         7.19382     360         
1 1 1 24 6  1  o 30.4706 5.13155 3.24465      0.875379  1.16862      0.833511  36.4853     344.961     7.52433     164.961     
1 1 1 24 6  2  o 21.7429 5.29507 1.64031      0.78268   0.375971     0.803181  16.4458     203.756     23.3159     23.7556     
1 1 1 24 6  3  o 22.6853 5.49667 1.04824      0.790375  1.36531      0.777906  26.4035     253.458     4.92294     73.4584     
1 1 1 24 6  4  o 26.7412 5.47847 1.87525      0.808978  1.55629      0.803104  38.9349     162.193     9.29243     162.193     
1 1 1 24 6  5  o 25.1296 5.373   1.86098      0.780993  1.14896      0.772799  42.0758     121.807     22.261      121.807     
1 1 1 24 6  6  o 19.4411 5.34952 0.623577     0.790954  0.916286     0.769374  28.3785     209.713     12.5121     209.713     
1 1 1 24 6  7  o 21.6884 4.99017 -0.0572681   0.781412  1.90234      0.774085  30.5941     179.27      24.1125     179.27      
1 1 1 24 6  8  o 14.6328 4.6103  -0.130784    0.6861    0.151429     0.730781  7.08565     215.193     4.23689     215.193     
1 1 1 24 6  9  o 25.8915 5.49394 0.914618     0.80386   2.38497      0.892527  34.3043     165.364     2.22844     165.364     
1 1 1 24 6  10 o 26.7234 5.85529 1.05375      0.995698  2.52579      0.9458    39.1739     69.4955     10.5141     69.4955     
1 1 1 24 6  11 o 16.5223 5.10361 0.785906     0.916317  -0.467006    0.794769  16.3321     91.987      6.84055     271.987     
1 1 1 24 6  12 o 11.7641 4.05963 -0.853536    0.850395  -1.23062     0.748708  9.98456     203.491     1.2674      203.491     
1 1 1 24 6  13 o 12.8485 4.27427 -0.43182     0.735801  -0.430023    0.72576   11.4111     328.885     4.50542     328.885     
1 1 1 24 6  14 o 11.3685 3.88218 -0.418179    0.694054  -1.27948     0.705604  9.41621     70.2112     1.46459     70.2112     
1 1 1 24 6  15 o 17.5015 4.91049 1.36112      0.807914  -0.738712    0.761549  23.5013     353.331     6.39897     353.331     
1 1 1 24 6  16 o 10.848  3.73523 -1.21346     0.670393  -0.586362    0.682052  9.15987     233.262     2.15106     53.2623     
1 1 1 24 6  17 o 15.2644 4.78191 0.138748     0.76014   0.245448     0.741489  19.6538     353.719     7.88653     353.719     
1 1 1 24 6  18 o 22.9054 5.76429 1.76709      0.891757  1.15229      0.853415  17.5612     280.648     23.3705     100.648     
1 1 1 24 6  19 o 16.2025 4.78929 1.14219      0.781433  -0.806889    0.769471  20.2346     288.418     13.2845     288.418     
1 1 1 24 6  20 o 11.0843 3.8238  -1.05491     0.714459  -0.660695    0.719896  9.73585     288.016     3.34484     108.016     
1 1 1 24 6  21 o 16.931  5.11143 0.916304     0.821381  0.254774     0.790713  22.8146     6.08487     7.25483     6.08487     
1 1 1 24 6  22 o 19.6433 5.41349 1.78021      0.897423  0.331092     0.800763  26.4878     157.92      6.07114     157.92      
1 1 1 24 6  23 o 13.1943 4.41128 -0.0129772   0.787534  -0.533139    0.819106  11.7398     184.701     6.21999     4.7013      
1 1 1 24 6  24 o 17.2753 5.26415 -0.113026    0.839493  1.45752      0.956121  9.76428     237.272     22.7239     57.2722     
1 1 1 24 6  25 o 14.2898 4.74504 -0.00266034  0.846831  0.077757     0.938081  13.8455     59.6717     3.90996     239.672     
1 1 1 24 6  26 o 17.2557 5.3375  0.857656     0.863715  0.844753     0.95516   11.6662     196.465     8.36106     196.465     
1 1 1 24 6  27 o 15.0542 4.82042 0.79033      0.839498  -0.0291264   0.803745  16.1232     15.5969     0.703979    195.597     
1 1 1 24 6  28 o 18.2664 5.42087 0.272556     0.834675  1.95618      0.9837    19.1187     221.692     13.8913     221.692     
1 1 1 24 6  29 o 14.529  4.82077 -0.257546    0.881356  0.778489     0.964415  16.6815     79.6193     4.53479     79.6193     
1 1 1 24 6  30 o 13.0222 4.41828 0.309681     0.904772  -0.499762    0.804852  8.11415     359.04      4.13281     359.04      
1 1 1 24 6  31 o 14.2277 4.73909 0.727605     0.951847  -0.107745    0.849746  12.0091     113.712     6.884       293.712     
1 1 1 24 6  32 o 13.9334 4.59566 0.983429     0.865204  -0.679601    0.834606  10.5953     249.249     4.91271     249.249     
1 1 1 24 6  33 o 12.531  4.28254 0.186222     0.866876  -0.54022     0.819234  5.92338     59.571      2.12435     59.571      
1 1 1 24 6  34 o 13.6131 4.62896 0.248849     0.942727  0.0974644    0.974554  12.8674     133.529     0.124786    313.529     
1 1 1 24 6  35 o 12.5614 4.30454 -0.824277    0.876839  0.486751     0.880452  9.23274     279.669     3.42469     279.669     
1 1 1 24 6  36 o 14.2299 4.71764 0.873724     0.887632  0.239974     0.878522  14.8394     106.715     6.52779     106.715     
1 1 1 24 6  37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 7  0  o 13.9666 5.8916  0.544599     0.752488  0.544599     0.752488  7.54504     6.98354e-05 4.41131     6.98354e-05 
1 1 1 24 7  1  o 31.3464 5.28475 2.03027      0.847047  2.59308      0.853124  42.3461     32.5863     2.42749     32.5863     
1 1 1 24 7  2  o 15.9497 4.82467 -0.0480398   0.699204  0.516589     0.739568  20.0907     250.448     8.24929     250.448     
1 1 1 24 7  3  o 14.3452 4.5506  0.0581799    0.685865  -0.15952     0.723008  9.92598     324.914     14.3361     144.914     
1 1 1 24 7  4  f 13.0261 4.26452 -0.00628462  0.722074  -0.66991     0.649713  4.46485     275.682     0           0           
1 1 1 24 7  5  o 19.6034 5.13466 1.28268      0.745585  0.252284     0.734986  25.8334     208.711     4.24653     208.711     
1 1 1 24 7  6  o 13.9727 4.4988  0.101645     0.746785  -0.446681    0.696708  9.43891     344.615     14.1898     164.615     
1 1 1 24 7  7  o 20.5847 5.34963 0.621894     0.780626  1.253        0.761112  27.7761     218.625     5.4171      218.625     
1 1 1 24 7  8  o 10.8038 3.70711 -0.836524    0.604594  -0.832278    0.687094  7.86979     6.86625     1.01282     186.866     
1 1 1 24 7  9  o 11.8521 3.92644 -1.46303     0.638836  0.0938979    0.649768  7.31976     48.7782     2.52585     48.7782     
1 1 1 24 7  10 o 18.0342 5.25468 0.315811     0.787776  0.822812     0.81662   21.5291     246.945     9.56721e-05 246.501     
1 1 1 24 7  11 o 16.9805 5.26864 0.282689     0.949321  0.335182     0.83352   11.2897     91.5561     19.4341     271.556     
1 1 1 24 7  12 f 16.4702 4.8287  -2.02854     0.886554  1.27607      0.84826   15.2075     251.806     0           0           
1 1 1 24 7  13 o 24.1586 5.33964 0.00538882   0.955742  2.62187      0.914945  42.6154     343.849     29.2237     343.849     
1 1 1 24 7  14 o 20.2987 5.34168 0.377591     0.790822  1.51482      0.813537  19.3496     152.528     12.3339     332.528     
1 1 1 24 7  15 o 22.1921 5.59962 1.55951      0.83248   1.01791      0.817017  26.1376     358.067     3.37306     178.067     
1 1 1 24 7  16 o 19.392  5.31039 0.242408     0.801223  1.43571      0.826321  29.937      108.737     19.0541     108.737     
1 1 1 24 7  17 o 17.2105 4.96887 1.11123      0.761744  -0.147045    0.761598  21.0145     71.4089     1.24282     71.4089     
1 1 1 24 7  18 o 16.3251 4.97583 0.643839     0.774301  0.209461     0.769815  21.843      183.856     12.9031     183.856     
1 1 1 24 7  19 o 12.9807 4.26856 0.279799     0.732506  -0.947283    0.709129  14.5139     329.076     2.07014     329.076     
1 1 1 24 7  20 f 23.0059 5.68311 1.79764      0.857358  1.3483       0.821601  11.3472     101.233     0           0           
1 1 1 24 7  21 o 20.3007 5.49467 1.19098      0.80802   1.21482      0.80744   29.0445     221.586     9.92613     221.586     
1 1 1 24 7  22 o 16.8043 5.03393 0.204506     0.810382  0.97552      0.766426  23.3892     41.2976     12.2829     41.2976     
1 1 1 24 7  23 f 17.6409 5.27929 0.720476     0.870846  0.920578     0.806138  19.4839     6.03827     0           0           
1 1 1 24 7  24 o 21.3458 6.06044 1.8276       1.03211   1.49462      1.02093   19.2364     47.0667     13.8133     227.067     
1 1 1 24 7  25 o 11.7681 4.08852 -0.463072    0.845828  -1.36312     0.902209  10.1543     42.6599     1.89358     222.66      
1 1 1 24 7  26 o 13.3804 4.53281 -0.348255    0.92243   -0.0722773   0.880687  10.1807     310.068     5.11406     310.068     
1 1 1 24 7  27 o 20.7501 5.97353 1.82846      0.952213  1.62894      1.10611   28.5321     339.477     9.71784     339.477     
1 1 1 24 7  28 o 10.364  3.65667 -1.5651      0.800766  -0.85946     0.792506  7.50352     40.255      0.245458    220.255     
1 1 1 24 7  29 o 16.6991 5.18838 1.13191      0.88149   0.695365     0.858434  17.3303     304.221     3.31482     124.221     
1 1 1 24 7  30 o 12.1205 4.13283 -0.039184    0.745407  -0.536398    0.82473   5.25545     330.27      2.2144      330.27      
1 1 1 24 7  31 o 13.0386 4.44031 -0.336356    0.854343  0.202726     0.917344  5.01783     212.26      2.32679     212.26      
1 1 1 24 7  32 o 12.2902 4.17765 -1.30803     0.770499  0.585285     0.818381  4.12795     173.347     1.42149     173.347     
1 1 1 24 7  33 o 20.7299 5.25311 0.0741316    0.915464  2.92902      0.918635  28.9463     19.3718     20.5425     19.3718     
1 1 1 24 7  34 o 9.91666 3.52132 -1.11532     0.797555  -1.34482     0.794942  4.72557     180.393     0.815371    0.393016    
1 1 1 24 7  35 o 10.8164 3.77765 -0.481522    0.773854  -0.700929    0.767476  5.28808     237.142     1.2471      237.142     
1 1 1 24 7  36 o 12.6653 4.28773 1.06412      0.867226  -1.45415     0.765838  12.437      272.384     2.84472     272.384     
1 1 1 24 7  37 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 8  0  f 19.6611 6.67965 1.23487      0.786148  1.23487      0.786148  0.452212    0.000970555 0           0           
1 1 1 24 8  1  o 19.4752 4.97184 1.42932      0.737764  -0.00568903  0.713948  29.3493     27.9478     14.206      27.9478     
1 1 1 24 8  2  o 21.7578 5.49774 1.08436      0.784006  1.15773      0.784685  23.1855     160.953     8.62654     340.953     
1 1 1 24 8  3  o 16.9023 4.90552 -0.0360773   0.734554  0.789963     0.708399  20.6021     233.958     12.779      233.958     
1 1 1 24 8  4  o 18.8152 5.08693 1.16896      0.734737  0.130306     0.752416  25.6856     340.921     7.05816     340.921     
1 1 1 24 8  5  o 41.5972 4.61436 4.35669      0.964985  3.35291      0.946469  54.7914     244.775     1.23413     64.7749     
1 1 1 24 8  6  o 14.5156 4.57364 -0.147579    0.692213  0.178535     0.706807  10.4734     10.2698     13.7363     190.27      
1 1 1 24 8  7  o 14.3797 4.5106  0.484069     0.731565  -0.654274    0.67206   3.74571     274.946     2.34702     274.946     
1 1 1 24 8  8  o 26.3936 5.05864 2.84551      0.856363  0.511657     0.81059   42.6877     39.0122     18.8397     39.0122     
1 1 1 24 8  9  o 18.7827 5.29588 0.864173     0.781877  0.607121     0.775744  24.5608     145.483     4.5049      145.483     
1 1 1 24 8  10 o 14.2447 4.53128 0.218283     0.722642  -0.276567    0.691924  11.2576     321.284     11.165      141.284     
1 1 1 24 8  11 o 22.1629 5.7163  1.17428      0.809758  1.36175      0.896135  26.0192     218.933     3.45998     38.9327     
1 1 1 24 8  12 o 15.1345 4.86515 0.520872     0.910831  -0.661189    0.785373  16.1675     121.008     9.37682     121.008     
1 1 1 24 8  13 f 17.8342 5.38935 0.350313     0.949052  0.739347     0.842557  12.4747     322.195     0           0           
1 1 1 24 8  14 o 17.8742 5.08239 -0.416887    0.920848  1.20953      0.758257  23.3914     163.048     16.3809     163.048     
1 1 1 24 8  15 o 16.4588 4.97202 0.635704     0.753289  0.218396     0.765241  19.3799     265.573     0.226579    265.573     
1 1 1 24 8  16 o 20.4607 5.32843 0.364494     0.833935  1.65528      0.802961  32.2646     171.504     23.1948     171.504     
1 1 1 24 8  17 o 14.5474 4.61807 0.559371     0.757326  -0.585137    0.764745  18.0188     160.531     5.08941     160.531     
1 1 1 24 8  18 o 11.5637 3.92347 -0.0589594   0.701489  -1.36052     0.690091  11.5473     270.03      0.537159    270.03      
1 1 1 24 8  19 o 14.9485 4.79981 0.150413     0.737231  0.220715     0.87815   14.177      164.023     6.84468     344.023     
1 1 1 24 8  20 o 13.2618 4.44997 -0.824312    0.769107  0.164055     0.875009  12.7656     191.374     4.12753     11.3741     
1 1 1 24 8  21 o 11.3377 3.88638 -1.54183     0.72168   -0.106592    0.724374  4.71987     288.443     2.14598     288.443     
1 1 1 24 8  22 o 13.9427 4.54849 -0.249092    0.752782  0.326153     0.787996  15.4288     188.649     7.03994     188.649     
1 1 1 24 8  23 f 20.3799 5.61499 0.347006     0.891874  2.25976      0.986445  23.9118     127.739     0           0           
1 1 1 24 8  24 o 16.7222 5.16709 1.41884      0.926218  -0.2817      0.897622  21.2419     161.222     7.07015     161.222     
1 1 1 24 8  25 o 14.2043 4.7067  0.640718     0.908115  -0.606696    0.868906  8.71157     51.8705     15.4387     231.871     
1 1 1 24 8  26 o 18.8122 5.48672 1.7482       0.926622  0.681822     0.856327  26.744      42.3638     15.3062     42.3638     
1 1 1 24 8  27 o 15.1462 4.91034 -0.508895    0.89179   1.15413      0.93391   15.0803     54.0031     3.59845     234.003     
1 1 1 24 8  28 o 14.5162 4.82185 0.56426      0.875996  -0.0631505   1.01722   16.4632     41.9831     6.50477     41.9831     
1 1 1 24 8  29 o 16.7599 5.1223  1.5593       0.869651  0.164877     0.872705  19.8087     54.395      3.2912      54.395      
1 1 1 24 8  30 o 12.4648 4.22037 -0.389785    0.79968   0.10175      0.766449  9.56797     206.817     2.72146     206.817     
1 1 1 24 8  31 o 11.1708 3.89534 -0.227146    0.818521  -1.17891     0.789843  4.2406      101.286     0.530234    101.286     
1 1 1 24 8  32 o 15.808  5.06755 0.630672     0.915711  1.02076      0.890644  12.464      116.418     7.40631     116.418     
1 1 1 24 8  33 o 11.9751 4.13546 0.0264327    0.856162  -0.713798    0.831728  9.81253     57.3392     0.0742031   237.338     
1 1 1 24 8  34 o 13.6807 4.59411 0.73789      0.874984  -0.147689    0.926414  11.2359     99.3897     5.43506     99.3897     
1 1 1 24 8  35 o 15.4405 4.84247 1.94756      0.910878  -0.7903      0.82029   14.5635     11.8666     9.18293     11.8666     
1 1 1 24 8  36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 9  0  o 7.00001 3.55518 -0.921892    0.620062  -0.921892    0.620062  0.327173    180         10.4726     360         
1 1 1 24 9  1  o 27.0818 5.31847 2.55804      0.843127  1.06312      0.812984  34.5572     330.012     0.702874    150.012     
1 1 1 24 9  2  o 16.4644 4.62146 1.21482      0.750983  -1.11055     0.699161  21.9978     49.9304     7.61301     49.9304     
1 1 1 24 9  3  o 25.3525 5.69016 2.07987      0.893326  1.20897      0.822734  31.9976     323.644     0.600895    143.644     
1 1 1 24 9  4  o 9.97623 3.45488 -0.69243     0.597334  -1.27366     0.61395   6.47712     171.63      5.03319     351.63      
1 1 1 24 9  5  o 16.2192 4.92    0.514201     0.780804  0.136435     0.704884  20.0013     76.1522     3.38297     76.1522     
1 1 1 24 9  6  o 28.6357 5.64015 1.98915      0.890752  2.17829      0.850051  35.5719     211.898     2.88955     31.8978     
1 1 1 24 9  7  o 23.1914 5.6773  1.0859       0.870438  1.66285      0.830582  29.9094     156.031     1.73725     156.031     
1 1 1 24 9  8  o 14.0158 4.51648 0.0410929    0.729654  -0.235212    0.722699  7.90277     34.7175     17.9469     214.718     
1 1 1 24 9  9  o 17.518  5.1327  0.751086     0.794767  0.384878     0.73579   24.6764     245.558     14.0957     245.558     
1 1 1 24 9  10 o 14.5723 4.59067 0.554112     0.77263   -0.576976    0.679154  17.8766     288.006     6.91489     288.006     
1 1 1 24 9  11 o 17.4714 5.19623 0.762332     0.851612  0.375688     0.747324  24.653      144.036     14.0906     144.036     
1 1 1 24 9  12 o 13.6384 4.50106 -0.0358308   0.767676  -0.573587    0.818488  13.4241     146.258     3.82814     326.258     
1 1 1 24 9  13 o 13.2648 4.59392 -0.596819    1.09383   -1.71461     1.01569   14.1252     229.796     0.589704    229.796     
1 1 1 24 9  14 f 20.9802 6.26302 1.02737      1.17381   1.46209      1.17284   31.6296     152.522     0           0           
1 1 1 24 9  15 o 16.7789 5.24377 1.22655      1.02616   -0.607114    0.843492  6.76512     1.56052     28.2142     181.561     
1 1 1 24 9  16 o 15.0827 4.78996 0.532561     0.796432  -0.273312    0.802284  19.1418     140.967     5.88807     140.967     
1 1 1 24 9  17 o 27.1737 5.52987 1.13371      0.875634  3.1643       0.944849  40.9052     346.377     13.5545     346.377     
1 1 1 24 9  18 o 24.3205 5.57736 2.52036      0.900463  0.988018     0.837732  37.0529     299.161     14.4176     299.161     
1 1 1 24 9  19 o 31.1899 5.68867 2.34324      0.976892  3.27847      0.918857  53.1778     31.3168     28.4189     31.3168     
1 1 1 24 9  20 o 11.1398 3.82361 -0.430806    0.69783   -0.92547     0.689154  9.98432     189.812     0.874625    9.81195     
1 1 1 24 9  21 o 14.5409 4.63493 -0.849528    0.777885  0.873661     0.811031  17.2225     339.34      4.67617     339.34      
1 1 1 24 9  22 o 12.0702 4.09497 -0.181992    0.76257   -0.626813    0.713244  9.70208     319.193     6.02365     139.193     
1 1 1 24 9  23 o 15.6512 4.84462 1.23592      0.834325  -0.706821    0.837604  18.185      125.663     2.43718     125.664     
1 1 1 24 9  24 o 16.9779 5.11805 0.101976     0.825714  1.3844       0.8529    21.8909     116.66      12.6571     116.66      
1 1 1 24 9  25 o 14.6535 4.64214 1.1805       0.831094  -0.984207    0.773273  17.0743     24.5514     4.44761     24.5514     
1 1 1 24 9  26 o 21.9817 5.74837 1.71484      0.890149  1.86608      0.851985  34.304      41.5364     20.1414     41.5364     
1 1 1 24 9  27 o 15.1814 4.82707 0.541615     0.799838  0.588644     0.789981  16.4507     274.84      0.103986    94.84       
1 1 1 24 9  28 o 16.818  5.00095 1.77728      0.8635    -0.133765    0.760768  21.682      340.867     10.3054     340.867     
1 1 1 24 9  29 o 13.6801 4.49771 -0.992056    0.800525  0.992503     0.837012  13.0315     295.094     4.46982     295.094     
1 1 1 24 9  30 o 13.3287 4.46116 0.406569     0.812274  -0.187924    0.843054  11.9718     90.8443     0.912622    270.844     
1 1 1 24 9  31 f 13.4591 4.53853 0.188851     0.887012  0.0771555    0.87128   6.24305     91.3556     0           0           
1 1 1 24 9  32 f 13.3768 4.46896 1.1418       0.883398  -1.58808     0.871206  14.0558     178.178     0           0           
1 1 1 24 9  33 o 13.3967 4.54067 0.870355     0.943165  -0.576461    0.875334  8.74165     95.7974     4.36332     95.7974     
1 1 1 24 9  34 o 16.9232 5.22213 0.740564     0.936769  1.67886      0.874148  21.4846     238.791     10.309      238.791     
1 1 1 24 9  35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 10 0  o 9.61554 4.64651 -0.267701    0.726574  -0.267701    0.726574  5.96043     4.70836e-05 0.302265    180         
1 1 1 24 10 1  o 11.304  3.84149 -0.750133    0.689769  -0.589019    0.626022  9.29071     259.073     4.41159     79.0729     
1 1 1 24 10 2  o 25.3883 5.70972 2.2025       0.886283  1.17318      0.87614   35.4925     352.112     7.01679     352.112     
1 1 1 24 10 3  o 14.9983 4.69677 0.483215     0.772681  -0.314369    0.700439  18.2388     147.593     8.76335     147.593     
1 1 1 24 10 4  o 18.8427 5.3637  0.759982     0.802893  0.779449     0.804752  23.9149     306.228     17.2529     306.228     
1 1 1 24 10 5  o 19.4159 5.29439 0.196592     0.776442  1.41483      0.832314  27.5646     266.28      9.43497     266.28      
1 1 1 24 10 6  o 27.16   5.88961 2.43999      0.930228  1.55027      0.937963  31.6828     7.58058     6.28952     187.581     
1 1 1 24 10 7  o 20.9752 5.5077  1.85372      0.882233  -0.111439    1.0148    30.5966     327.748     10.9423     327.748     
1 1 1 24 10 8  o 29.5825 6.20271 2.28499      0.904875  2.64693      1.14116   43.8043     4.18723     12.4532     4.18723     
1 1 1 24 10 9  o 20.6751 5.58112 0.84623      0.839723  1.33216      0.844439  31.5406     65.5829     14.9791     65.5829     
1 1 1 24 10 10 o 16.3861 4.9596  0.761798     0.757964  -0.0803638   0.807108  18.9547     250.372     12.63       250.372     
1 1 1 24 10 11 o 13.8183 4.49286 -0.870021    0.714188  0.422932     0.804405  16.1354     11.7289     6.70536     11.7289     
1 1 1 24 10 12 o 11.696  3.96672 -1.11798     0.682834  -0.19511     0.714232  11.1182     1.70455     3.21851     1.70455     
1 1 1 24 10 13 o 14.4355 4.72603 0.259469     0.825078  -0.596706    0.894699  14.5514     136.4       4.04237     316.4       
1 1 1 24 10 14 o 21.0971 6.16153 0.918983     1.22376   1.70347      1.05624   25.0848     154.125     1.24399     334.125     
1 1 1 24 10 15 o 15.4167 5.05212 0.418062     1.02086   -0.218853    0.892658  19.8006     207.517     7.06239     207.517     
1 1 1 24 10 16 o 24.456  5.12457 0.411377     0.902256  2.76595      0.838578  40.1656     132.947     20.5829     132.947     
1 1 1 24 10 17 o 12.0132 4.06488 -1.01013     0.746795  -0.105474    0.718691  9.66926     78.8345     7.3026      258.835     
1 1 1 24 10 18 o 13.1586 4.359   0.211773     0.784077  -0.588524    0.716585  13.382      251.478     6.22967     251.478     
1 1 1 24 10 19 o 14.6324 4.6795  0.21055      0.777439  0.255674     0.742258  15.0861     146.935     8.70911     146.935     
1 1 1 24 10 20 o 16.4174 5.02496 0.189222     0.844841  0.944182     0.785628  19.0155     190.941     11.9914     190.941     
1 1 1 24 10 21 o 15.5679 4.86014 -0.362107    0.802456  1.06785      0.831052  16.4412     345.093     1.97104     165.093     
1 1 1 24 10 22 o 15.166  4.77676 1.15625      0.849535  -0.750434    0.800879  14.6674     255.38      4.85502     75.38       
1 1 1 24 10 23 o 13.7428 4.51998 -0.0967165   0.758828  0.317746     0.801572  14.6633     54.0403     1.68548     54.0404     
1 1 1 24 10 24 o 12.9977 4.32238 -0.520527    0.730733  0.365688     0.776563  12.7555     210.916     1.02259     30.9158     
1 1 1 24 10 25 o 12.9707 4.3671  -0.506466    0.717639  0.360045     0.87178   13.3373     128.303     1.85612     128.303     
1 1 1 24 10 26 o 13.205  4.28902 -1.64178     0.741822  0.989382     0.767478  11.7358     312.551     5.62089     312.551     
1 1 1 24 10 27 o 14.6747 4.58167 -0.590179    0.757544  1.17442      0.758602  16.6113     338.243     6.14073     338.243     
1 1 1 24 10 28 o 13.5847 4.48501 -0.240618    0.795169  0.57878      0.790961  11.6932     152.44      4.67242     152.44      
1 1 1 24 10 29 f 12.7612 4.29342 0.589303     0.819407  -0.777865    0.754823  3.26842     241.47      0           0           
1 1 1 24 10 30 o 11.6884 4.01539 -0.550932    0.767879  -0.169445    0.769738  3.55764     160.682     1.03849     160.682     
1 1 1 24 10 31 o 15.2736 5.00392 1.43809      1.00184   -0.0760198   0.915527  14.9232     33.3412     7.63996     33.3412     
1 1 1 24 10 32 o 12.8184 4.42682 -0.173566    0.922504  0.0257979    1.00878   11.4202     12.0821     1.71102     192.082     
1 1 1 24 10 33 o 13.3212 4.45975 0.831957     0.848038  -0.425234    0.822968  13.3318     350.097     1.23816     350.097     
1 1 1 24 10 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 10 35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 11 0  o 19.9212 7.48509 1.4824       1.04343   1.4824       1.04343   35.9394     3.05082e-06 25.3654     3.05082e-06 
1 1 1 24 11 1  o 19.7959 5.69277 1.31887      0.858338  0.201981     1.16809   29.9335     270.646     15.9809     270.646     
1 1 1 24 11 2  o 17.862  5.45793 0.633661     0.799765  0.45371      1.08028   23.53       154.708     6.04863     154.708     
1 1 1 24 11 3  o 26.1887 5.26571 3.07347      0.909767  0.224477     1.03033   23.0807     280.53      21.4724     100.53      
1 1 1 24 11 4  o 14.5228 4.60236 0.417818     0.725053  -0.466004    0.762842  17.8888     251.116     6.18581     251.116     
1 1 1 24 11 5  o 19.5693 5.33965 0.789497     0.75862   1.08572      0.78152   26.8146     74.4691     6.97809     74.4691     
1 1 1 24 11 6  o 17.7344 5.11299 0.856141     0.734503  0.441253     0.770148  23.0205     80.6462     4.51822     80.6463     
1 1 1 24 11 7  o 17.7367 5.23154 0.834109     0.812968  0.455048     0.796845  15.8978     68.1252     11.6589     248.125     
1 1 1 24 11 8  o 25.4155 5.73532 2.05607      0.855948  1.53499      0.872479  33.9288     190.108     3.94131     190.108     
1 1 1 24 11 9  o 16.3104 4.92195 0.494104     0.716588  0.415871     0.754719  18.5735     162.043     1.145       342.043     
1 1 1 24 11 10 o 14.0241 4.53096 -0.281752    0.693157  0.250509     0.778346  14.3485     122.004     3.16992     302.004     
1 1 1 24 11 11 o 15.3844 4.76842 0.563226     0.702457  -0.0805617   0.804224  20.3315     312.219     8.81386     312.219     
1 1 1 24 11 12 o 14.0379 4.4429  0.677834     0.723653  -1.14318     0.768289  8.72289     84.4468     16.2691     264.447     
1 1 1 24 11 13 f 13.7169 4.4261  0.339379     0.700799  -0.473521    0.742399  1.33064     248.28      0           0           
1 1 1 24 11 14 o 19.8085 5.82021 1.5084       1.007     0.799063     0.992097  20.6004     191.171     7.10449     11.171      
1 1 1 24 11 15 o 14.3109 4.75728 0.406274     0.935763  -0.844683    0.904146  14.6655     298.606     8.38999     298.606     
1 1 1 24 11 16 o 21.3911 5.3923  2.87286      1.04065   -0.437862    0.831863  33.4098     104.962     17.308      104.962     
1 1 1 24 11 17 o 16.2826 5.04866 0.445588     0.787944  0.663168     0.843817  20.1976     334.532     4.49997     334.532     
1 1 1 24 11 18 o 13.9507 4.61506 -0.197004    0.833906  0.148697     0.83436   11.1896     112.336     6.2871      112.336     
1 1 1 24 11 19 o 15.5345 4.92685 -1.00775     0.894607  1.25157      0.918238  18.897      344.279     8.30553     344.279     
1 1 1 24 11 20 o 12.1464 4.1417  -0.606374    0.794927  -0.30483     0.767922  10.6001     27.5643     3.02371     207.564     
1 1 1 24 11 21 o 12.9347 4.36683 -0.122267    0.86412   -0.288491    0.767912  6.89084     174.312     15.6028     354.312     
1 1 1 24 11 22 o 17.678  5.24679 0.806265     0.835677  1.14792      0.804186  23.2602     168.492     8.08549     168.492     
1 1 1 24 11 23 o 10.4392 3.62626 -1.61892     0.683771  -0.176076    0.684101  7.72156     161.993     3.49878     341.993     
1 1 1 24 11 24 o 10.545  3.66591 -1.43952     0.650137  -0.129163    0.716562  6.4158      273.786     1.38217     273.786     
1 1 1 24 11 25 o 12.602  4.19804 0.455499     0.736508  -0.714639    0.722636  11.9512     51.0297     3.16595     51.0297     
1 1 1 24 11 26 o 14.5324 4.69315 0.854651     0.831089  0.00506601   0.757717  15.8423     236.152     4.79302     236.152     
1 1 1 24 11 27 o 13.7927 4.50216 0.0623102    0.778762  0.508244     0.7416    6.73838     62.6646     3.5173      62.6646     
1 1 1 24 11 28 o 12.7202 4.26208 0.565538     0.781519  -0.796271    0.764205  8.63326     251.099     2.58056     251.099     
1 1 1 24 11 29 o 11.7295 3.97825 -1.04905     0.717934  0.327325     0.717053  8.62897     305.275     0.452195    305.275     
1 1 1 24 11 30 o 13.0401 4.43848 0.70884      0.927952  -0.795178    0.840091  9.80147     96.864      7.36844     276.864     
1 1 1 24 11 31 o 13.8512 4.58994 -1.08823     0.926841  1.21993      0.879123  14.1978     131.957     4.30425     131.957     
1 1 1 24 11 32 o 13.2437 4.47891 0.322853     0.930564  0.160068     0.805522  12.7682     168.319     0.432076    348.319     
1 1 1 24 11 33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 11 34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 12 0  o 14.9745 6.40604 0.755596     0.914797  0.755596     0.914797  17.1117     360         11.4036     360         
1 1 1 24 12 1  o 31.4546 6.43224 2.70308      1.04165   3.19349      1.17485   46.0726     279.624     12.2755     279.624     
1 1 1 24 12 2  o 29.2862 5.78846 3.13437      0.962143  1.68203      0.964075  44.6506     68.2087     15.2994     68.2087     
1 1 1 24 12 3  o 15.3777 4.61399 0.90674      0.718776  -0.628531    0.706476  18.3455     315.285     11.5335     315.285     
1 1 1 24 12 4  o 15.088  4.77419 0.0989995    0.770806  0.265697     0.765601  17.8622     162.083     1.95537     162.083     
1 1 1 24 12 5  o 15.879  4.8031  0.702003     0.729717  0.0600162    0.704632  20.2773     224.263     4.92232     224.263     
1 1 1 24 12 6  o 16.2341 5.15173 0.642219     1.03812   0.107151     0.738014  16.2402     197.439     5.9838      17.4388     
1 1 1 24 12 7  o 21.9213 5.74167 2.31781      1.03525   0.510897     0.798627  31.9661     65.4517     11.2618     65.4517     
1 1 1 24 12 8  o 24.1777 5.80348 1.40477      1.02226   2.02293      0.820054  30.7829     15.4612     1.29175     15.4613     
1 1 1 24 12 9  f 10.848  3.70865 -0.368175    0.650565  -0.93857     0.618307  21.0945     287.593     0           0           
1 1 1 24 12 10 o 17.3229 4.83694 1.29992      0.728226  -0.151757    0.712499  25.3954     175.208     16.221      175.208     
1 1 1 24 12 11 o 15.8273 4.83659 0.618695     0.724467  0.258404     0.741522  18.8785     186.107     1.50819     186.107     
1 1 1 24 12 12 o 11.7202 5.54361 -1.9757      0.507631  -0.327281    0.629908  8.15498     270.595     0.356028    90.5951     
1 1 1 24 12 13 o 17.5772 5.07306 0.7608       0.7501    0.800257     0.712507  25.251      191.731     14.187      191.731     
1 1 1 24 12 14 o 16.1025 5.01874 0.515215     0.761848  0.476253     0.875317  14.4027     335.894     9.18543     155.894     
1 1 1 24 12 15 o 11.407  3.97592 -0.808489    0.906741  -1.05006     0.734712  9.12499     218.784     2.29242     218.784     
1 1 1 24 12 16 o 19.3548 5.85434 1.88365      1.13127   0.599153     0.990945  27.5312     94.9137     16.0609     94.9137     
1 1 1 24 12 17 o 15.5662 4.78477 1.13994      0.785355  -0.78561     0.86635   10.7263     161.397     7.17533     161.397     
1 1 1 24 12 18 o 13.6942 4.4098  0.864759     0.763677  -1.89598     0.867844  7.29918     166.21      17.1074     346.21      
1 1 1 24 12 19 o 15.4943 4.95435 0.389162     0.789619  0.586765     0.909091  18.5489     224.999     5.47733     224.999     
1 1 1 24 12 20 o 17.8339 5.26423 0.387531     0.793643  1.57164      0.886136  24.0539     200.164     14.3718     200.164     
1 1 1 24 12 21 o 14.57   4.70731 0.772492     0.820551  -0.228898    0.809745  9.03595     263.652     5.70804     263.652     
1 1 1 24 12 22 o 11.9066 4.06456 -0.0302686   0.748938  -0.850723    0.785203  5.96258     236.469     14.5292     56.4693     
1 1 1 24 12 23 o 13.9961 4.50883 1.19264      0.836903  -1.13407     0.715193  14.01       199.459     6.96825     199.459     
1 1 1 24 12 24 o 12.9449 4.31503 0.429828     0.783802  -0.413501    0.727685  12.4609     97.7065     0.504952    97.7066     
1 1 1 24 12 25 o 11.9673 4.0673  0.0462694    0.734953  -0.598618    0.753481  6.27198     215.462     2.07469     215.462     
1 1 1 24 12 26 o 15.2764 4.82312 0.1769       0.793224  1.06063      0.805221  15.7133     171.228     0.033378    171.228     
1 1 1 24 12 27 o 11.8214 4.04273 -0.187608    0.756719  -0.393391    0.755726  8.80161     71.5258     0.579451    251.526     
1 1 1 24 12 28 o 16.2806 5.11709 1.09684      0.895024  0.818794     0.836085  18.991      92.5817     6.9344      92.5817     
1 1 1 24 12 29 o 14.7704 4.77208 1.52937      0.909331  -0.801205    0.855185  12.3308     157.708     6.83306     157.708     
1 1 1 24 12 30 o 20.0468 5.84122 2.17239      0.996457  1.88337      0.965796  23.9389     135.527     17.3809     135.527     
1 1 1 24 12 31 o 10.7345 3.73633 -1.5513      0.792187  0.00660581   0.719301  7.4757      344.811     1.02233     344.811     
1 1 1 24 12 32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 13 0  o 10.8973 5.05956 0.133299     0.718732  0.133299     0.718732  8.72984     180         10.236      360         
1 1 1 24 13 1  o 25.3478 5.70644 2.12748      0.875904  1.62402      0.821088  32.8036     75.1177     2.12367     75.1177     
1 1 1 24 13 2  o 14.1174 4.50577 0.170761     0.726316  0.0558024    0.672319  9.21589     84.6566     6.14014     84.6566     
1 1 1 24 13 3  o 14.0006 4.44769 0.48046      0.686383  -0.495215    0.728816  10.5818     134.011     6.92341     134.011     
1 1 1 24 13 4  o 18.2198 5.08754 1.3418       0.774755  0.217989     0.736911  24.1763     335.504     5.47527     335.504     
1 1 1 24 13 5  f 14.0213 4.4832  0.184536     0.680053  0.0102229    0.71761   12.5221     330.375     0           0           
1 1 1 24 13 6  o 16.0335 4.79206 1.00014      0.746227  -0.219251    0.723099  21.9366     95.8369     9.84033     95.8369     
1 1 1 24 13 7  o 30.5599 5.41362 2.49664      0.844657  2.60717      0.866798  57.628      348.495     40.9698     348.495     
1 1 1 24 13 8  o 17.8764 5.20292 0.543521     0.72455   1.08297      0.833791  20.9756     120.52      0.305019    300.52      
1 1 1 24 13 9  o 17.2055 5.14802 0.346993     0.719271  1.06797      0.870293  23.728      342.465     10.2179     342.465     
1 1 1 24 13 10 o 10.9077 3.74372 -1.1666      0.596309  -0.168347    0.700485  9.50387     353.254     0.31422     353.254     
1 1 1 24 13 11 o 13.0139 4.27773 -0.285339    0.683096  0.0847565    0.713038  14.0005     213.555     4.24797     213.555     
1 1 1 24 13 12 o 9.43079 3.31924 -1.21409     0.567241  -0.92669     0.675678  3.3464      318.744     0.0960391   318.744     
1 1 1 24 13 13 o 14.7876 4.53771 1.11959      0.766085  -1.14011     0.726737  17.8915     18.1981     7.52363     18.1981     
1 1 1 24 13 14 o 15.2065 4.70223 1.11749      0.794254  -0.7999      0.781869  18.3857     318.157     8.22884     318.157     
1 1 1 24 13 15 o 15.6863 5.06463 0.176362     0.824223  0.736478     0.996355  1.53248     312.632     1.04236     312.632     
1 1 1 24 13 16 o 17.4676 5.45948 -0.128146    1.16515   1.48313      0.978224  22.1423     202.117     6.62811     202.117     
1 1 1 24 13 17 o 11.6183 4.0698  -0.467929    1.00155   -1.11615     0.717006  8.35448     0.885528    7.29381     180.886     
1 1 1 24 13 18 o 16.1178 5.1313  0.866188     1.03913   0.497529     0.759068  20.1001     184.59      9.00904     184.59      
1 1 1 24 13 19 o 18.0186 5.29933 0.300618     1.06498   1.52115      0.803941  24.2459     1.88241     9.60145     1.88241     
1 1 1 24 13 20 o 24.9853 6.02126 2.01386      1.09841   2.78812      0.918663  36.5791     41.6264     14.0557     41.6264     
1 1 1 24 13 21 o 17.2046 5.24964 1.17648      0.819301  0.781239     0.924397  17.4037     357.187     4.5671      177.187     
1 1 1 24 13 22 o 10.2372 3.58442 -0.764671    0.67645   -0.993271    0.747073  5.17916     153.569     0.211238    153.569     
1 1 1 24 13 23 o 12.0225 4.10039 -0.369385    0.711361  -0.148253    0.809192  6.65207     342.458     2.25786     342.458     
1 1 1 24 13 24 o 12.6294 4.27679 -1.08821     0.787052  0.570963     0.838193  7.87315     52.4024     2.72334     52.4024     
1 1 1 24 13 25 o 10.849  3.76221 -0.146062    0.735432  -1.11808     0.698167  5.74671     84.5379     8.61386     264.538     
1 1 1 24 13 26 o 10.5022 3.67485 -0.648911    0.774004  -0.900054    0.697144  6.25514     290.595     2.62242     110.595     
1 1 1 24 13 27 o 12.5037 4.16046 -1.22809     0.720662  0.777799     0.751136  10.1704     327.198     2.67259     327.198     
1 1 1 24 13 28 o 10.8283 3.78662 -0.635299    0.737854  -0.708662    0.828027  3.67025     302.542     0.853233    302.542     
1 1 1 24 13 29 o 10.7307 3.73631 -0.244516    0.712967  -1.00491     0.777076  7.51918     194.752     0.282652    194.753     
1 1 1 24 13 30 f 13.016  4.36094 -0.0314354   0.797532  0.417931     0.783893  10.8867     87.7841     0           0           
1 1 1 24 13 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 14 0  o 27.6493 6.72242 2.23178      0.866604  2.23178      0.866604  31.9476     8.82378e-06 8.63695     180         
1 1 1 24 14 1  o 24.9108 5.68286 1.82654      0.821134  1.90378      0.848967  27.9405     304.659     6.28794     124.659     
1 1 1 24 14 2  o 30.7474 5.37677 3.15155      0.904826  2.1083       0.817331  46.1725     62.9625     14.9908     62.9625     
1 1 1 24 14 3  o 15.8684 4.71279 -0.365329    0.723387  1.06283      0.726987  20.3959     259.444     6.2415      259.444     
1 1 1 24 14 4  o 17.2353 5.07852 0.775402     0.763317  0.686193     0.742053  21.6941     304.255     4.13231     304.255     
1 1 1 24 14 5  o 15.2721 4.74454 0.318876     0.7135    0.45008      0.734745  19.2981     69.8507     8.53838     69.8507     
1 1 1 24 14 6  o 11.2446 3.81371 -0.516858    0.609783  -0.405371    0.667131  5.25594     187.423     14.6454     7.42346     
1 1 1 24 14 7  o 12.5625 4.1263  0.129349     0.667124  -0.387839    0.633341  12.8879     213.62      1.76688     213.62      
1 1 1 24 14 8  o 15.116  4.67544 0.822804     0.734597  -0.235982    0.731553  14.7596     18.495      4.94728     198.495     
1 1 1 24 14 9  o 17.7208 4.88014 1.58142      0.763917  -0.279692    0.752547  23.7519     60.9868     15.7646     60.9868     
1 1 1 24 14 10 o 27.2578 5.9686  2.12358      0.932918  2.72878      0.946519  34.201      46.6303     0.971343    46.6301     
1 1 1 24 14 11 o 14.6289 4.48848 1.0131       0.724326  -0.801387    0.698976  16.2855     166.764     1.54423     166.764     
1 1 1 24 14 12 o 24.6691 5.89971 2.39155      0.924452  1.73777      0.891846  32.1118     352.608     4.47122     352.608     
1 1 1 24 14 13 o 13.828  4.47533 -0.442056    0.7567    0.548918     0.739563  14.3944     358.705     0.227765    358.705     
1 1 1 24 14 14 o 14.1916 4.58653 0.04909      0.758155  0.400444     0.756723  15.2811     88.0557     1.22195     88.0556     
1 1 1 24 14 15 o 14.0416 4.59844 0.243248     0.749894  0.0905508    0.844682  15.4482     234.808     3.30752     234.808     
1 1 1 24 14 16 o 13.2319 4.49895 0.875308     0.986224  -1.64052     0.772103  11.7381     21.8703     5.27289     21.8703     
1 1 1 24 14 17 o 15.1271 4.88994 -0.819103    0.993834  1.11145      0.892611  16.5355     197.875     9.04324     197.875     
1 1 1 24 14 18 o 13.3216 4.31943 0.747266     0.7313    -0.828179    0.71411   13.8309     59.1661     5.67529     59.1661     
1 1 1 24 14 19 o 16.9332 5.07241 0.599863     0.771934  1.21443      0.793221  3.95835     294.914     2.9356      294.914     
1 1 1 24 14 20 o 12.6037 4.27482 -0.141518    0.75446   -0.157874    0.855145  6.43259     335.084     2.94726     335.084     
1 1 1 24 14 21 o 16.9339 5.07112 1.67808      0.84256   -0.206461    0.93196   19.5919     18.0925     2.72142     18.0925     
1 1 1 24 14 22 o 21.5114 5.22667 2.7845       0.867599  0.304106     0.94904   30.4979     266.9       12.9296     266.9       
1 1 1 24 14 23 o 11.9446 4.08162 -0.0507169   0.730062  -0.597388    0.826867  2.99313     245.045     0.885136    245.045     
1 1 1 24 14 24 o 20.0198 5.6897  1.06606      0.863492  2.33878      0.987889  19.4711     154.778     14.4109     154.778     
1 1 1 24 14 25 o 16.0758 5.13665 0.629279     0.890262  1.21588      0.941259  16.0675     90.2097     2.16601     270.21      
1 1 1 24 14 26 o 12.6058 4.31325 -0.256098    0.777782  0.13756      0.930144  10.4928     17.5218     3.46395     197.522     
1 1 1 24 14 27 o 12.9035 4.36957 0.712049     0.840086  -0.958027    0.914074  12.2507     42.839      2.26017     42.839      
1 1 1 24 14 28 o 12.4848 4.27626 0.48516      0.885008  -0.701806    0.815669  11.2536     26.1382     1.45692     206.138     
1 1 1 24 14 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 14 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 15 0  o 12.7306 5.61131 0.520317     0.752045  0.520317     0.752045  5.99675     180         20.8508     360         
1 1 1 24 15 1  o 18.1859 4.67575 -0.54035     0.684804  1.85584      0.757852  19.988      85.7345     3.13387     265.735     
1 1 1 24 15 2  o 13.6016 4.31905 0.562152     0.662507  -0.467804    0.67439   13.783      265.367     6.1914      265.367     
1 1 1 24 15 3  o 11.2854 3.80024 -0.0330543   0.62759   -0.778989    0.611202  2.86471     344.449     1.10853     344.449     
1 1 1 24 15 4  o 10.8152 3.69604 -0.87718     0.648377  -0.290776    0.623029  6.71405     91.3899     8.67237     271.39      
1 1 1 24 15 5  o 13.0393 4.29355 0.369335     0.762945  -0.518175    0.651364  12.3104     193.973     4.57075     193.973     
1 1 1 24 15 6  f 14.2728 4.58309 -0.175099    0.749641  0.525782     0.752619  11.2256     319.347     0           0           
1 1 1 24 15 7  o 15.5405 4.85924 0.391371     0.762103  0.586716     0.781192  8.92495     48.4073     5.96367     48.4073     
1 1 1 24 15 8  o 14.2135 4.59039 0.34108      0.721977  0.0397024    0.799188  14.9128     206.354     0.012194    206.349     
1 1 1 24 15 9  o 16.0654 4.68745 -0.718139    0.745657  1.39616      0.755855  20.3147     332.253     6.9146      332.253     
1 1 1 24 15 10 o 16.2412 4.9179  0.136046     0.755855  1.10459      0.779794  20.295      168.12      10.9724     168.12      
1 1 1 24 15 11 o 15.3315 4.7798  -0.0351834   0.771881  0.910693     0.768292  12.9351     356.161     8.28318     356.161     
1 1 1 24 15 12 o 14.5722 4.63372 0.3773       0.733632  0.354472     0.731342  16.894      46.6882     5.52263     46.6882     
1 1 1 24 15 13 f 11.1429 3.78492 -0.0206964   0.646984  -0.906517    0.64479   18.2837     159.68      0           0           
1 1 1 24 15 14 o 10.4691 3.60657 -0.826368    0.607733  -0.344488    0.64857   7.15561     356.32      0.738344    356.32      
1 1 1 24 15 15 o 13.85   4.45818 0.28476      0.704504  0.262938     0.701717  12.1144     296.745     6.32087     116.745     
1 1 1 24 15 16 o 12.4616 4.1919  -1.08022     0.651374  0.624969     0.814386  9.64588     62.3792     7.1195      242.379     
1 1 1 24 15 17 o 15.413  4.92424 -0.468528    0.958703  1.24852      0.874894  17.943      325.825     5.32908     325.825     
1 1 1 24 15 18 o 11.0125 3.87576 -0.164953    0.91525   -1.28421     0.652168  5.46206     136.467     11.5526     316.467     
1 1 1 24 15 19 o 11.6044 3.92958 -0.359148    0.664544  -0.116091    0.683454  1.74533     316.04      0.588035    316.04      
1 1 1 24 15 20 o 10.0081 3.4818  -1.19074     0.577547  -0.18738     0.654287  4.25886     16.1088     1.28843     196.109     
1 1 1 24 15 21 o 14.6669 4.62643 -0.416778    0.727561  1.19784      0.795339  13.591      6.33594     3.12045     186.336     
1 1 1 24 15 22 o 11.5214 3.94371 -0.0759876   0.746192  -0.602632    0.694342  6.31013     157.764     1.08547     157.764     
1 1 1 24 15 23 o 14.8849 4.72573 0.164792     0.795871  0.959837     0.768006  15.6361     273.718     6.47779     273.718     
1 1 1 24 15 24 o 11.7441 4.01058 -0.683382    0.719593  0.168009     0.756937  9.48185     276.808     0.732798    96.8082     
1 1 1 24 15 25 o 16.1515 5.02952 1.68142      0.894688  0.213232     0.808561  19.3571     165.063     8.71197     165.063     
1 1 1 24 15 26 o 12.9989 4.3561  0.656861     0.804428  -0.445589    0.798565  12.7835     308.946     3.11429     308.946     
1 1 1 24 15 27 o 14.5594 4.86432 -0.0928879   0.880776  1.29938      1.03593   15.0483     128.282     0.266555    128.282     
1 1 1 24 15 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 16 0  f 17.0331 6.40364 1.15217      0.764079  1.15217      0.764079  7.42605     360         0           0           
1 1 1 24 16 1  o 17.5647 5.15806 1.00591      0.773838  0.828364     0.774373  22.5067     298.867     6.53983     298.867     
1 1 1 24 16 2  o 13.5955 4.34666 0.550328     0.682172  -0.292049    0.666704  14.0741     107.471     0.273717    107.471     
1 1 1 24 16 3  o 16.1769 4.89638 0.620887     0.73712   0.727588     0.726543  18.6443     211.496     11.3574     211.496     
1 1 1 24 16 4  f 17.9129 5.18991 1.05266      0.772841  0.918557     0.764832  2.62136     105.9       0           0           
1 1 1 24 16 5  o 16.9208 5.013   0.76327      0.756361  0.858723     0.725216  18.7767     196.453     0.779194    16.453      
1 1 1 24 16 6  o 24.016  5.53756 1.30052      0.844913  2.5208       0.848635  38.452      284.416     21.7001     284.416     
1 1 1 24 16 7  o 13.3668 4.34709 0.631752     0.737857  -0.695875    0.711643  13.6933     339.515     0.346576    339.516     
1 1 1 24 16 8  o 12.5758 4.11731 -0.836172    0.664199  0.497798     0.676621  12.5495     352.637     2.40959     352.637     
1 1 1 24 16 9  o 15.3902 4.71105 -0.113078    0.712215  1.06952      0.749773  18.1553     321.903     3.74581     321.903     
1 1 1 24 16 10 o 14.6374 4.55742 0.874099     0.711041  -0.167689    0.699982  17.1223     68.9495     4.76913     68.9495     
1 1 1 24 16 11 o 15.3721 4.54975 -0.596731    0.678058  1.32551      0.726088  18.7731     271.391     5.33824     271.391     
1 1 1 24 16 12 o 15.2337 4.61226 -0.302285    0.712213  1.15085      0.718369  15.5436     269.257     2.66711     89.2571     
1 1 1 24 16 13 o 18.1328 5.06405 0.343225     0.756862  1.70966      0.781364  25.1189     349.232     14.1998     349.232     
1 1 1 24 16 14 o 10.9506 3.76266 -0.0623717   0.719443  -0.819696    0.593102  7.54502     8.89286     5.67895     188.893     
1 1 1 24 16 15 o 17.9376 4.86617 1.98507      0.796725  -0.152876    0.697419  24.1264     27.2575     14.1009     27.2575     
1 1 1 24 16 16 o 14.8593 4.71113 0.790092     0.730119  0.16437      0.822977  16.1417     126.518     5.11088     126.518     
1 1 1 24 16 17 o 10.0475 3.54509 -2.26582     0.820162  -0.459888    0.719994  2.10829     57.827      0.238647    237.827     
1 1 1 24 16 18 o 12.386  4.23256 0.56145      0.905624  -0.823229    0.644521  1.89889     167.526     0.682945    167.526     
1 1 1 24 16 19 o 13.3426 4.36447 0.491693     0.725514  -0.101258    0.713043  9.23993     236.613     3.76807     236.613     
1 1 1 24 16 20 f 11.7194 3.95377 -0.427607    0.681577  0.0604356    0.666972  10.6037     174.55      0           0           
1 1 1 24 16 21 o 10.6631 3.69667 -0.851754    0.697252  -0.31596     0.694989  3.67463     182.73      0.494525    182.73      
1 1 1 24 16 22 o 14.2474 4.61744 0.264103     0.790911  0.705495     0.766702  13.2001     91.6879     3.09059     271.688     
1 1 1 24 16 23 f 11.451  3.93735 -0.118516    0.769788  -0.453185    0.708124  3.79604     90.3107     0           0           
1 1 1 24 16 24 o 12.8214 4.22266 -1.13723     0.744829  0.920719     0.743823  11.6787     127.729     4.5308      127.729     
1 1 1 24 16 25 o 18.072  5.14246 0.252625     0.824741  2.19125      0.855876  24.6388     216.532     14.6193     216.532     
1 1 1 24 16 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 17 0  o 11.9913 5.32852 0.471751     0.692788  0.471751     0.692788  13.8702     180         3.14966     180         
1 1 1 24 17 1  o 13.1221 4.25912 0.226105     0.661513  0.0384658    0.659452  8.81684     333.41      4.82801     333.41      
1 1 1 24 17 2  o 17.4047 5.01271 1.2465       0.741225  0.596013     0.712235  23.5592     349.565     13.7873     349.565     
1 1 1 24 17 3  o 12.731  4.14462 0.474119     0.674406  -0.432194    0.611094  12.4032     325.025     0.82763     145.025     
1 1 1 24 17 4  o 15.0849 4.67253 0.776872     0.720895  0.261928     0.687731  18.1262     175.007     8.543       175.007     
1 1 1 24 17 5  o 14.4811 4.57246 0.254784     0.680156  0.570332     0.721308  10.7332     132.11      11.3995     312.11      
1 1 1 24 17 6  o 14.0491 4.4617  0.596643     0.699726  0.0528982    0.667082  14.8541     224.005     0.654417    224.005     
1 1 1 24 17 7  o 11.9391 3.98961 -0.0486861   0.661254  -0.209703    0.637814  10.8002     358.662     1.1025      358.662     
1 1 1 24 17 8  o 13.6893 4.4335  0.155705     0.709092  0.351677     0.711577  14.4633     133.383     3.95436     133.383     
1 1 1 24 17 9  o 12.7416 4.17339 0.516833     0.693182  -0.498487    0.647111  6.76219     223.866     3.30644     223.866     
1 1 1 24 17 10 o 14.7721 4.60671 0.799261     0.71035   0.191661     0.688979  16.4069     278.846     6.66844     278.846     
1 1 1 24 17 11 o 11.4192 3.86062 0.1664       0.636412  -1.14076     0.734692  8.55958     6.2203      0.312298    6.22029     
1 1 1 24 17 12 o 12.4704 4.09224 -0.63915     0.649524  0.50891      0.668294  8.29914     46.6007     2.96725     46.6007     
1 1 1 24 17 13 o 23.664  5.56908 1.69404      0.815334  2.32222      0.816247  32.6315     134.614     10.7719     134.614     
1 1 1 24 17 14 o 12.7501 4.20195 0.163914     0.680178  0.0331788    0.678624  8.23618     25.9386     2.78763     25.9386     
1 1 1 24 17 15 o 13.5338 4.32695 -0.363889    0.696946  0.737532     0.676601  12.4753     158.805     0.140666    338.805     
1 1 1 24 17 16 o 12.1497 4.07157 0.0386977    0.675377  -0.207606    0.701451  9.64969     353.384     0.804057    173.384     
1 1 1 24 17 17 o 13.5645 4.55228 0.88006      0.929002  -0.712378    0.796925  12.7176     61.5343     1.37948     61.5343     
1 1 1 24 17 18 f 11.8032 4.07852 -0.64828     0.900449  -0.241537    0.767387  2.26246     15.9717     0           0           
1 1 1 24 17 19 o 13.2737 4.38437 0.264583     0.75324   0.223112     0.738616  12.6061     15.8214     3.06733     15.8214     
1 1 1 24 17 20 o 24.0888 5.72161 2.92949      0.909022  1.76694      0.832909  36.4617     126.435     19.4043     126.435     
1 1 1 24 17 21 o 14.8024 4.65051 -0.0996785   0.756824  1.22461      0.764781  16.7098     355.133     6.41211     355.133     
1 1 1 24 17 22 o 14.705  4.73841 0.532739     0.82081   0.756279     0.780907  14.4414     132.118     2.03059     312.118     
1 1 1 24 17 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 17 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 18 0  o 9.02922 4.34953 -0.0675684   0.626041  -0.0675684   0.626041  1.29769     180         18.1375     8.5115e-06  
1 1 1 24 18 1  o 17.2781 4.93826 0.352908     0.707895  1.4702       0.747035  20.3847     296.543     3.22064     296.543     
1 1 1 24 18 2  o 13.3798 4.33621 0.100624     0.689862  0.328612     0.674951  11.3473     58.3407     5.05628     238.341     
1 1 1 24 18 3  o 10.3049 3.53604 -0.383457    0.592611  -0.579436    0.589803  6.29405     217.068     1.94528     37.0678     
1 1 1 24 18 4  o 15.6319 4.735   0.872302     0.695083  0.477694     0.686437  18.1845     241.107     7.15478     241.107     
1 1 1 24 18 5  o 13.9166 4.35105 -0.347258    0.657831  0.852472     0.666415  14.0048     199.611     1.02748     199.611     
1 1 1 24 18 6  o 16.1197 4.85901 0.743683     0.723084  0.822477     0.707525  18.7278     312.716     8.87691     312.716     
1 1 1 24 18 7  o 19.6858 5.3865  1.13174      0.836874  1.69496      0.779398  20.5256     44.1777     4.04763     224.178     
1 1 1 24 18 8  o 12.0303 3.92233 -0.949777    0.614166  0.560285     0.61665   6.331       66.8796     1.92218     66.8796     
1 1 1 24 18 9  o 19.1145 5.4103  1.42483      0.840595  1.34256      0.786096  21.2026     330.624     0.23307     150.624     
1 1 1 24 18 10 o 14.6166 4.6085  0.377364     0.714712  0.638276     0.707411  7.49547     60.0513     4.14202     60.0513     
1 1 1 24 18 11 o 11.9961 3.99897 -0.0867869   0.656078  -0.0303585   0.635833  9.13091     47.0981     0.352057    227.098     
1 1 1 24 18 12 f 11.2347 3.80472 -0.199437    0.646196  -0.302607    0.617067  9.47472     240.574     0           0           
1 1 1 24 18 13 o 13.3613 4.21611 -0.631116    0.642502  0.868392     0.658447  11.1295     293.02      4.88588     113.02      
1 1 1 24 18 14 o 14.9949 4.39162 1.49232      0.712354  -0.938317    0.648696  15.8301     273.102     0.973289    273.102     
1 1 1 24 18 15 o 10.6579 3.66685 -0.50184     0.656262  -0.378633    0.638475  5.70857     77.9107     8.84571     257.911     
1 1 1 24 18 16 o 13.0219 4.26693 -0.340984    0.714073  0.619499     0.702021  12.3176     77.783      1.99935     77.783      
1 1 1 24 18 17 o 11.9268 4.06279 -0.181826    0.688148  -0.0780039   0.797497  6.2157      348.516     2.37908     348.516     
1 1 1 24 18 18 o 14.7032 4.82384 -0.105273    0.940408  1.16274      0.894073  16.0195     105.535     4.07554     105.535     
1 1 1 24 18 19 o 15.3829 4.92738 1.72078      0.966524  -0.141444    0.743382  17.7123     174.016     8.30527     174.016     
1 1 1 24 18 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 18 21 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 19 0  o 7.32108 3.66722 -0.482505    0.577732  -0.482505    0.577732  0.425906    180         4.07279     6.27175e-05 
1 1 1 24 19 1  o 13.2839 4.28142 0.0848623    0.632281  0.411126     0.671601  11.4013     169.309     3.15044     169.309     
1 1 1 24 19 2  o 16.1407 4.66428 0.0394827    0.688187  1.31063      0.681946  17.9392     30.8584     9.3735      30.8584     
1 1 1 24 19 3  o 16.4635 4.88017 1.01659      0.715873  0.691338     0.692789  10.5013     232.657     6.9394      232.657     
1 1 1 24 19 4  o 9.74619 3.37667 -0.90805     0.550089  -0.326843    0.592867  4.61403     355.776     4.52963     175.776     
1 1 1 24 19 5  o 16.5554 4.74735 0.0597759    0.692189  1.45375      0.715203  19.6542     275.409     9.76153     275.409     
1 1 1 24 19 6  o 9.54839 3.31381 -1.03517     0.605198  -0.382699    0.54153   3.3382      195.408     10.1314     15.4084     
1 1 1 24 19 7  f 13.2751 4.24768 0.444745     0.644993  0.115546     0.611546  4.54081     118.325     0           0           
1 1 1 24 19 8  o 9.12369 3.20126 -0.466999    0.59057   -1.17573     0.5357    3.57281     210.698     3.53717     30.6978     
1 1 1 24 19 9  o 15.7735 4.79773 0.913381     0.729951  0.644449     0.687833  18.1355     351.23      6.60314     351.23      
1 1 1 24 19 10 o 9.2047  3.21875 -0.43903     0.562984  -1.16186     0.571913  2.7628      121.338     1.1586      301.338     
1 1 1 24 19 11 o 22.9916 5.27234 0.945565     0.81739   2.94917      0.854106  34.3828     351.13      26.4881     351.13      
1 1 1 24 19 12 o 15.698  4.77451 0.555694     0.710826  1.02983      0.711159  17.6907     48.5173     9.16165     48.5173     
1 1 1 24 19 13 o 11.3417 3.84029 -0.114139    0.634627  -0.214505    0.653505  6.40454     32.4845     10.178      212.485     
1 1 1 24 19 14 o 13.0349 4.27359 0.648837     0.723406  -0.205399    0.670419  11.7557     340.97      4.60105     340.97      
1 1 1 24 19 15 o 13.2235 4.32114 0.169521     0.681317  0.437106     0.709746  12.621      101.127     0.802461    281.127     
1 1 1 24 19 16 o 11.2389 3.83608 -0.509018    0.672581  -0.0221888   0.67687   8.29784     129.105     2.12672     129.105     
1 1 1 24 19 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 19 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 20 0  o 12.5424 5.42891 0.633332     0.673928  0.633332     0.673928  13.5612     180         3.85061     180         
1 1 1 24 20 1  f 12.8432 4.15888 0.597403     0.652967  -0.271881    0.630144  17.356      317.699     0           0           
1 1 1 24 20 2  o 12.0596 3.96225 -0.669182    0.614116  0.53619      0.634311  1.15276     144.438     0.516485    144.438     
1 1 1 24 20 3  o 9.5421  3.30797 -0.552509    0.588767  -0.569037    0.518577  4.9591      56.7729     2.86191     236.773     
1 1 1 24 20 4  o 8.8466  3.09164 -0.969518    0.522237  -0.48702     0.517631  2.98766     335.433     1.79215     155.433     
1 1 1 24 20 5  o 13.0798 4.22409 0.583085     0.665557  -0.0572354   0.624647  11.4638     206.719     3.17243     26.7194     
1 1 1 24 20 6  o 9.64013 3.34243 -0.371115    0.578047  -0.760883    0.5552    2.5668      357.432     0.0562799   177.432     
1 1 1 24 20 7  o 11.53   3.86715 0.103344     0.628173  -0.269847    0.618625  7.88417     129.721     2.13732     129.721     
1 1 1 24 20 8  o 11.04   3.74719 -0.222067    0.622607  -0.200332    0.619348  8.43133     119.425     0.256342    299.425     
1 1 1 24 20 9  o 16.0239 4.82922 0.151366     0.764914  1.45114      0.761268  19.4829     1.76512     8.90094     1.76512     
1 1 1 24 20 10 o 15.6938 4.80741 1.19186      0.764877  0.455053     0.695816  18.7136     25.1473     8.95012     25.1473     
1 1 1 24 20 11 o 18.5152 5.2878  1.41808      0.788951  1.34559      0.779234  24.8466     312.039     11.6444     312.039     
1 1 1 24 20 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 20 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 20 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 0  o 15.7617 6.16551 1.11641      0.736586  1.11641      0.736586  23.3328     4.11186e-07 10.886      4.11186e-07 
1 1 1 24 21 1  o 15.5959 4.87833 1.17691      0.860859  0.52716      0.685148  14.6453     38.5367     9.41494     38.5367     
1 1 1 24 21 2  o 8.74396 3.06491 -0.118146    0.527822  -1.43947     0.460665  4.17826     96.006      2.09691     276.006     
1 1 1 24 21 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 24 21 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 0  1  o 14.5073 6.07769 0.626453     0.790625  0.626453     0.790625  17.2278     270         5.91655     90          
1 1 1 25 0  2  o 11.3752 5.23851 0.107783     0.747832  0.107783     0.747832  3.68539     180         24.4184     360         
1 1 1 25 0  3  f 21.8794 6.98792 1.51015      0.851642  1.51015      0.851642  40.884      270         0           0           
1 1 1 25 0  4  o 27.8754 7.12645 2.18533      0.944521  2.18533      0.944521  28.8459     180         21.527      8.65143e-06 
1 1 1 25 0  5  o 13.6859 5.95896 0.485947     0.823048  0.485947     0.823048  14.7584     270         8.30189     270         
1 1 1 25 0  6  o 15.7322 6.35563 0.80428      0.815532  0.80428      0.815532  26.1157     180         13.4867     180         
1 1 1 25 0  7  f 12.1099 5.48725 0.236516     0.777543  0.236516     0.777543  27.4175     90          0           0           
1 1 1 25 0  8  o 7.56459 3.84159 -1.03827     0.723299  -1.03827     0.723299  1.69292     180         2.25941     8.6518e-06  
1 1 1 25 0  9  o 6.12425 3.18595 -1.87144     0.705641  -1.87144     0.705641  0.0702183   90.0001     2.61972     270         
1 1 1 25 0  10 o 8.81495 4.37158 -0.599646    0.758176  -0.599646    0.758176  5.57983     180         9.24018     8.65161e-06 
1 1 1 25 0  11 o 12.96   5.77703 0.39095      0.821326  0.39095      0.821326  13.3675     270         8.96425     90          
1 1 1 25 0  12 o 8.50634 4.26544 -0.799034    0.788757  -0.799034    0.788757  7.62149     8.65144e-06 38.8766     8.65144e-06 
1 1 1 25 0  13 o 13.5109 5.91789 0.506825     0.823408  0.506825     0.823408  17.4287     90          1.85733     270         
1 1 1 25 0  14 o 10.8976 5.14683 -0.00931295  0.797192  -0.00931295  0.797192  10.7192     180         3.81335     180         
1 1 1 25 0  15 o 11.8847 5.46489 0.219917     0.809543  0.219917     0.809543  15.1221     90          5.97329     90          
1 1 1 25 0  16 o 9.41622 4.63156 -0.440236    0.803287  -0.440236    0.803287  8.01699     6.39159e-06 7.17247     180         
1 1 1 25 0  17 o 39.3413 5.81206 3.70926      1.04457   3.70926      1.04457   63.1197     270         16.4257     270         
1 1 1 25 0  18 o 14.6443 6.19235 0.760775     0.835097  0.760775     0.835097  7.46346     180         5.48955     180         
1 1 1 25 0  19 o 12.1773 5.60003 0.313766     0.850406  0.313766     0.850406  16.8034     90          7.52994     90          
1 1 1 25 0  20 o 9.67621 4.72247 -0.271893    0.794674  -0.271893    0.794674  6.54299     180         12.4001     360         
1 1 1 25 0  21 o 10.3094 4.93185 -0.0400689   0.776865  -0.0400689   0.776865  5.86983     270         2.34035     270         
1 1 1 25 0  22 f 14.5649 6.17959 0.81622      0.837151  0.81622      0.837151  5.94356     1.41077e-09 0           0           
1 1 1 25 0  23 f 30.5562 6.90532 2.75624      0.963673  2.75624      0.963673  5.86538     270         0           0           
1 1 1 25 0  24 o 7.94029 4.03241 -0.923829    0.796993  -0.923829    0.796993  2.01811     360         1.39421     180         
1 1 1 25 0  25 o 7.76707 3.9625  -1.04406     0.810445  -1.04406     0.810445  3.46117     270         7.04627     90          
1 1 1 25 0  26 o 12.7603 5.90016 0.5457       0.962549  0.5457       0.962549  16.9837     0           5.3309      0           
1 1 1 25 0  27 o 14.3938 6.36635 0.936048     0.976726  0.936048     0.976726  19.7576     90          2.1286      90          
1 1 1 25 0  28 f 13.9911 6.15966 0.872254     0.903492  0.872254     0.903492  13.346      360         0           0           
1 1 1 25 0  29 o 11.2523 5.35338 0.279079     0.891479  0.279079     0.891479  7.32182     90          14.5715     270         
1 1 1 25 0  30 o 19.0845 7.10833 1.71063      0.934369  1.71063      0.934369  33.8305     6.32299e-06 21.0818     6.32299e-06 
1 1 1 25 0  31 o 18.776  7.23019 1.78204      0.99599   1.78204      0.99599   25.4533     270         1.21601     270         
1 1 1 25 0  32 o 12.0257 5.64505 0.509561     0.934371  0.509561     0.934371  10.29       1.9926e-06  9.46622     180         
1 1 1 25 0  33 o 25.5997 8.1473  2.9931       1.15753   2.9931       1.15753   45.7738     270         23.9964     270         
1 1 1 25 0  34 f 11.5835 5.85049 0.0796254    1.58582   0.0796254    1.58582   5.89304     360         0           0           
1 1 1 25 0  35 o 8.44783 4.38318 -1.82413     1.26971   -1.82413     1.26971   4.78961     270         2.3593      90          
1 1 1 25 0  36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 1  0  o 15.0837 6.20948 0.708034     0.800959  0.708034     0.800959  19.4995     90.0001     12.1504     90.0001     
1 1 1 25 1  1  o 39.0539 5.25887 4.55387      1.03064   2.69717      1.0075    56.1437     165.231     3.60959     165.231     
1 1 1 25 1  2  o 23.4468 5.45725 2.07203      0.861791  0.534757     0.83451   28.7039     90.6275     5.3782      270.627     
1 1 1 25 1  3  o 20.3324 5.5711  0.747144     0.841889  1.10705      0.844643  22.5749     184.709     8.22811     4.70856     
1 1 1 25 1  4  o 12.7617 4.28793 -0.742016    0.775137  -0.45171     0.769364  1.72486     92.0492     29.243      272.049     
1 1 1 25 1  5  o 18.9201 5.30501 0.25783      0.794227  1.1264       0.814302  28.4543     176.165     10.8746     176.165     
1 1 1 25 1  6  o 14.4024 4.65616 0.0702622    0.785657  -0.378676    0.780098  16.8253     249.079     0.258914    249.078     
1 1 1 25 1  7  o 14.0934 4.53711 -0.785221    0.754858  0.302476     0.760173  16.801      5.44035     1.7396      5.44036     
1 1 1 25 1  8  o 12.3508 4.1761  -0.288859    0.781553  -1.09471     0.733473  12.8467     25.8447     0.707639    205.845     
1 1 1 25 1  9  o 19.4702 5.50654 0.565576     0.83362   1.10693      0.868197  27.4967     17.3631     6.03283     17.3631     
1 1 1 25 1  10 o 19.061  5.16022 1.60669      0.853439  -0.403464    0.808285  28.2503     204.404     9.00863     204.404     
1 1 1 25 1  11 o 16.492  5.0405  0.10867      0.804665  0.588226     0.792764  23.5371     55.6094     9.35136     55.6094     
1 1 1 25 1  12 o 14.8498 4.76829 -0.258791    0.807697  0.233499     0.802901  18.395      340.316     1.91344     340.316     
1 1 1 25 1  13 o 20.6728 5.69553 0.983629     0.876785  1.22967      0.885873  30.3677     138.965     8.35502     138.965     
1 1 1 25 1  14 o 13.0739 4.34483 -1.08221     0.785263  0.103346     0.769625  10.7722     56.7534     6.16792     56.7534     
1 1 1 25 1  15 o 14.1656 4.5656  0.492765     0.779884  -0.936078    0.794481  6.62272     248.21      4.48525     248.21      
1 1 1 25 1  16 o 21.742  5.71089 0.869084     0.886958  1.77435      0.893609  37.5718     11.8057     23.0178     11.8057     
1 1 1 25 1  17 f 13.8846 4.56199 -0.750823    0.800016  0.316881     0.820441  12.8448     68.9846     0           0           
1 1 1 25 1  18 o 19.3042 5.58136 1.0769       0.894092  0.995339     0.878437  28.6952     313.173     9.79948     313.174     
1 1 1 25 1  19 o 15.4306 4.9038  0.741932     0.856245  -0.274421    0.827548  18.4162     185.731     0.833255    5.73125     
1 1 1 25 1  20 o 19.1168 5.32298 1.84138      0.893118  -0.0313968   0.857477  31.1819     75.0181     18.3071     75.0181     
1 1 1 25 1  21 o 14.8918 4.83537 0.049131     0.859076  0.341283     0.84828   19.5618     285.694     5.96683     285.694     
1 1 1 25 1  22 o 19.882  5.67616 1.10971      0.892111  1.48499      0.920751  28.4276     47.6134     8.05704     47.6134     
1 1 1 25 1  23 o 13.8544 4.61448 0.176622     0.865071  -0.235011    0.851686  15.8352     22.1546     0.959655    22.1546     
1 1 1 25 1  24 o 20.8063 5.39387 0.274233     0.874453  2.4209       0.908728  29.6728     148.463     23.0983     148.463     
1 1 1 25 1  25 f 19.3189 5.52973 0.261268     0.96421   2.15662      0.960596  17.6667     21.1914     0           0           
1 1 1 25 1  26 o 16.3065 5.15272 1.52357      0.972791  -0.267187    0.909275  21.4493     243.519     6.05367     243.519     
1 1 1 25 1  27 o 16.6796 5.27157 0.708952     0.912471  1.12128      0.955082  19.7632     6.41065     0.053857    186.411     
1 1 1 25 1  28 o 10.9982 3.84692 -0.685114    0.843937  -0.910147    0.765825  9.39208     265.66      3.90659     85.6596     
1 1 1 25 1  29 o 17.5817 5.42906 1.20736      0.912428  1.31255      0.957959  19.1785     353.895     3.84598     173.895     
1 1 1 25 1  30 o 14.9692 4.90884 0.936872     0.917002  0.219436     0.922255  15.5817     245.366     2.50964     65.3657     
1 1 1 25 1  31 o 20.4751 5.99433 2.46308      1.0833    1.73729      1.00311   23.1741     358.734     3.06432     178.734     
1 1 1 25 1  32 o 16.1775 5.19721 1.65935      0.994972  0.193408     0.980792  9.57762     322.282     6.38151     322.282     
1 1 1 25 1  33 o 15.0727 4.95375 -0.0770376   0.935957  1.44781      0.981708  17.7881     52.2935     7.262       52.2935     
1 1 1 25 1  34 o 15.2377 5.26489 -0.387707    1.24499   2.40125      1.43513   18.0767     233.771     6.97264     233.771     
1 1 1 25 1  35 o 13.1909 4.58007 -0.738776    1.12755   0.716831     1.06502   13.5216     75.7278     5.74502     75.7278     
1 1 1 25 1  36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 2  0  o 17.4008 6.64161 1.0147       0.833156  1.0147       0.833156  20.6704     270         7.93201     90          
1 1 1 25 2  1  o 19.7929 5.46045 1.20418      0.842282  0.450089     0.819715  26.4493     124.44      2.24564     124.44      
1 1 1 25 2  2  o 41.0916 4.89874 3.95756      1.01003   3.7478       1.00234   61.1792     178.382     7.79678     178.382     
1 1 1 25 2  3  o 14.2928 4.59171 -0.666894    0.757699  0.271526     0.769074  15.4958     253.566     3.01138     73.5663     
1 1 1 25 2  4  o 20.91   5.51346 0.887059     0.811398  1.16804      0.799682  34.0638     81.6789     16.8608     81.6789     
1 1 1 25 2  5  o 18.4562 5.37626 0.793579     0.846383  0.485032     0.81953   13.7761     339.037     21.1243     159.037     
1 1 1 25 2  6  o 22.7501 5.82634 0.959193     0.896151  1.65301      0.908727  27.6333     193.606     5.01084     13.6063     
1 1 1 25 2  7  o 13.8292 4.55405 -0.137579    0.788613  -0.508237    0.809602  6.25955     133.876     22.8152     313.876     
1 1 1 25 2  8  o 43.0315 5.1497  3.37106      1.08143   5.45339      1.08836   72.1951     113.682     25.0944     113.682     
1 1 1 25 2  9  o 11.4834 3.93689 -1.36948     0.744874  -0.488532    0.728693  9.68647     251.967     6.55065     71.9671     
1 1 1 25 2  10 f 25.604  5.87028 1.93599      0.887992  1.59824      0.903392  29.2243     128.53      0           0           
1 1 1 25 2  11 o 13.9615 4.50428 0.505116     0.796486  -1.20013     0.746722  16.7966     122.128     1.64783     122.128     
1 1 1 25 2  12 o 12.6069 4.24184 -0.139996    0.769413  -1.1087      0.778168  13.2107     219.285     2.25629     39.2847     
1 1 1 25 2  13 o 21.538  5.79307 1.10586      0.900866  1.39781      0.89554   31.618      95.775      8.14837     95.775      
1 1 1 25 2  14 o 16.3876 5.09435 0.706844     0.848947  -0.105783    0.867917  17.7423     299.118     5.74604     119.118     
1 1 1 25 2  15 o 13.2554 4.43207 -0.325928    0.809642  -0.41443     0.798538  14.6251     172.761     1.57735     352.761     
1 1 1 25 2  16 o 15.5383 4.90533 0.193047     0.821917  0.317617     0.790253  20.2187     268.324     12.5511     268.324     
1 1 1 25 2  17 o 12.7404 4.28724 -1.22196     0.769344  0.111029     0.811855  10.9745     187.722     6.25082     187.722     
1 1 1 25 2  18 o 20.1923 5.63152 0.75612      0.902767  1.57902      0.891764  20.1378     230.672     12.4412     50.6722     
1 1 1 25 2  19 o 13.5086 4.4944  -0.300779    0.808085  -0.0680577   0.810668  9.28992     14.187      15.2339     194.187     
1 1 1 25 2  20 o 14.8033 4.67062 -1.16325     0.799877  1.00205      0.826476  17.1248     243.351     1.45641     63.3512     
1 1 1 25 2  21 o 12.4248 4.20588 -1.61376     0.785759  0.278466     0.809299  14.0639     125.168     4.21159     125.168     
1 1 1 25 2  22 o 16.2394 5.0717  0.757185     0.85717   0.418671     0.820941  20.5705     71.3893     2.69336     71.3893     
1 1 1 25 2  23 o 14.3039 4.68664 -0.398565    0.817194  0.604007     0.861297  14.8185     194.342     3.89601     14.3423     
1 1 1 25 2  24 o 17.7212 5.37901 1.13383      0.88052   0.837275     0.902731  16.7068     85.0429     12.2473     85.0429     
1 1 1 25 2  25 o 12.5221 4.27661 0.148732     0.850288  -1.07695     0.851763  8.89928     346.203     4.4464      346.203     
1 1 1 25 2  26 o 18.0892 5.47836 1.46136      0.947879  0.89817      0.893239  26.016      103.252     10.9602     103.252     
1 1 1 25 2  27 o 14.7467 4.81795 -0.816762    0.898179  1.21099      0.933196  13.1868     39.5536     9.00592     219.554     
1 1 1 25 2  28 o 13.0661 4.4276  -0.767858    0.834215  0.522715     0.893635  9.76969     148.511     5.3231      148.511     
1 1 1 25 2  29 o 12.3536 4.23318 0.15414      0.85388   -0.698379    0.827989  4.6096      123.272     2.29939     123.272     
1 1 1 25 2  30 o 12.5451 4.29352 -0.674894    0.877956  0.219968     0.854611  12.0966     154.824     1.00184     154.824     
1 1 1 25 2  31 o 14.5506 4.78037 1.51084      0.95519   -1.20758     0.933481  15.3224     285.235     6.35522     285.235     
1 1 1 25 2  32 o 11.2965 3.95998 -1.1266      0.848981  -0.327503    0.889071  9.11119     222.152     1.40491     42.152      
1 1 1 25 2  33 o 15.3788 4.98884 1.86044      0.984806  -0.962761    1.06001   18.6544     283.035     7.89412     283.035     
1 1 1 25 2  34 o 9.71092 3.47566 -1.50442     0.820183  -1.54811     0.907652  2.93626     322.048     0.403292    322.048     
1 1 1 25 2  35 o 15.6491 5.21618 2.04943      1.14457   0.00789697   1.1259    5.63984     289.59      3.95741     289.59      
1 1 1 25 2  36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 3  0  o 13.0331 5.73461 0.399026     0.781973  0.399026     0.781973  11.319      270         13.6511     90          
1 1 1 25 3  1  o 21.7932 5.79036 1.37265      0.846274  0.895088     0.97379   35.8563     235.522     18.0084     235.522     
1 1 1 25 3  2  o 13.6335 4.52767 -0.384035    0.778984  -0.466757    0.849015  11.6533     120.157     9.93872     300.157     
1 1 1 25 3  3  o 16.8002 5.19854 0.195806     0.800853  0.409121     0.918619  19.0299     196.732     3.99484     16.7317     
1 1 1 25 3  4  o 19.763  5.66184 0.409266     0.889677  1.22396      0.950332  30.7909     97.792      20.3744     97.792      
1 1 1 25 3  5  o 11.7791 4.05648 -0.673756    0.755698  -1.54785     0.8691    10.4311     346.1       5.36366     166.1       
1 1 1 25 3  6  o 17.5234 5.33726 0.859361     0.90354   -0.140043    0.920251  22.0422     188.161     0.508845    188.161     
1 1 1 25 3  7  o 16.9273 5.23121 0.16527      0.785691  0.559625     0.947924  21.0235     127.543     0.291934    127.542     
1 1 1 25 3  8  o 24.7489 5.93081 0.816956     0.899273  2.49267      1.0356    36.4431     160.317     7.69061     160.317     
1 1 1 25 3  9  o 21.2067 5.74033 1.44854      0.86607   0.75387      0.963591  27.2885     106.123     0.574487    286.123     
1 1 1 25 3  10 o 18.8264 5.52466 1.0285       0.859448  0.3651       0.969013  14.67       127.93      20.1921     307.93      
1 1 1 25 3  11 o 21.1908 5.65397 0.85654      0.832964  1.46117      0.883527  35.9456     205.735     21.3845     205.735     
1 1 1 25 3  12 o 19.9945 5.59245 1.07442      0.862294  0.921895     0.856706  20.2716     235.415     11.8871     55.4152     
1 1 1 25 3  13 o 16.5137 4.84803 1.23925      0.815075  -1.00367     0.79249   21.9549     83.6046     14.9        83.6046     
1 1 1 25 3  14 o 19.797  4.89154 -0.893511    0.808748  2.07122      0.840949  31.1237     231.504     12.4702     231.504     
1 1 1 25 3  15 o 24.4132 5.84548 1.6588       0.867275  1.78791      0.893492  37.7979     53.1024     12.1126     53.1024     
1 1 1 25 3  16 o 15.5986 4.9471  0.320925     0.831686  0.203041     0.82667   21.9684     53.4827     9.21879     53.4827     
1 1 1 25 3  17 o 15.9011 4.96787 0.135133     0.803871  0.604932     0.817323  22.8493     304.012     12.7652     304.012     
1 1 1 25 3  18 o 13.3405 4.43284 0.353742     0.819829  -1.12313     0.802941  16.9088     102.435     5.33255     102.435     
1 1 1 25 3  19 o 16.6713 5.11152 1.10627      0.862124  -0.118223    0.859771  16.2976     270.53      9.6763      90.5304     
1 1 1 25 3  20 o 13.2928 4.44524 -0.673576    0.807519  0.139084     0.827294  3.99455     16.573      25.6749     196.573     
1 1 1 25 3  21 o 13.5827 4.50676 -0.339299    0.807864  0.135911     0.807465  14.3535     218.476     2.94088     38.4765     
1 1 1 25 3  22 o 11.4786 3.95314 -1.41269     0.754077  -0.135158    0.77074   9.75079     118.882     5.94153     298.882     
1 1 1 25 3  23 o 14.791  4.75934 -0.395968    0.823734  0.831247     0.83971   10.7428     25.9818     6.97492     25.9818     
1 1 1 25 3  24 o 12.5921 4.29182 -0.0693839   0.830219  -0.711044    0.851033  12.4747     320.156     4.73909     320.156     
1 1 1 25 3  25 f 14.7656 4.80057 1.2841       0.942524  -1.18077     0.871051  25.7861     301.602     0           0           
1 1 1 25 3  26 o 14.6838 4.7686  0.912463     0.872075  -0.261975    0.824484  15.6231     144.254     3.04478     324.254     
1 1 1 25 3  27 o 13.2306 4.4611  -0.119889    0.841712  0.101259     0.856734  14.9178     339.886     1.86621     339.886     
1 1 1 25 3  28 f 14.9359 4.933   0.649238     0.956758  0.413372     0.931348  5.78634     172.78      0           0           
1 1 1 25 3  29 o 15.9612 5.15144 1.41334      0.997738  0.257465     0.921196  15.9443     1.39117     5.6148      181.391     
1 1 1 25 3  30 o 16.9506 5.35594 1.53517      0.980548  0.794        0.966852  18.8506     140.336     11.6937     140.336     
1 1 1 25 3  31 o 12.2023 4.21012 -0.322463    0.870125  -0.264168    0.869331  10.6128     348.485     2.3502      168.485     
1 1 1 25 3  32 o 10.4004 3.67957 -1.4623      0.840842  -0.735695    0.823642  7.02441     117.299     1.06399     297.299     
1 1 1 25 3  33 o 19.681  5.69785 0.146509     1.05097   3.47389      1.13055   26.9661     350.674     8.62228     350.674     
1 1 1 25 3  34 o 14.8707 4.86091 0.0865562    0.87801   1.4174       0.925523  17.669      41.453      8.53133     41.453      
1 1 1 25 3  35 o 12.3238 4.29409 -0.529558    0.997824  0.0676175    0.962736  8.89203     44.6969     4.44812     44.6969     
1 1 1 25 3  36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 4  0  o 11.8507 5.66608 -0.142858    1.02264   -0.142858    1.02264   5.02598     270         23.0106     90          
1 1 1 25 4  1  o 15.1306 4.95167 0.413433     0.959367  -1.37882     0.980147  10.8844     347.167     6.98759     347.167     
1 1 1 25 4  2  o 20.5004 5.54147 -0.877722    1.06435   1.93966      0.980247  24.1499     202.641     5.30846     22.6411     
1 1 1 25 4  3  o 19.9351 5.83626 1.24982      1.04215   0.435872     0.95301   25.6568     69.2179     0.409812    69.2177     
1 1 1 25 4  4  o 25.9916 5.85956 0.742367     0.928042  2.83038      1.04496   33.3866     153.478     3.06661     333.478     
1 1 1 25 4  5  o 19.0526 5.47232 1.29086      0.88996   -0.028963    0.933091  25.5071     272.717     2.90277     272.717     
1 1 1 25 4  6  o 23.0886 5.95648 1.388        0.884915  1.45115      0.969105  32.3917     134.069     4.48246     134.069     
1 1 1 25 4  7  o 21.5905 5.79943 0.580096     0.880632  1.76543      0.98048   36.5072     301.186     21.4411     301.186     
1 1 1 25 4  8  o 15.3445 4.93846 -0.110035    0.835653  0.143709     0.888566  19.0306     154.454     10.8361     154.454     
1 1 1 25 4  9  o 17.3384 5.37295 -0.0137616   0.897464  0.808943     0.972408  4.74296     310.372     36.4775     130.372     
1 1 1 25 4  10 o 23.8999 5.91936 0.709321     0.924271  2.42126      1.02912   34.4599     77.5854     6.31582     77.5854     
1 1 1 25 4  11 o 19.9772 4.98723 2.216        0.910281  -1.44905     0.879974  24.9959     280.39      2.15011     100.39      
1 1 1 25 4  12 o 13.7606 4.57769 -0.0293484   0.819001  -0.773158    0.8886    16.5243     13.6942     7.85876     13.6942     
1 1 1 25 4  13 o 15.4347 4.9296  0.478432     0.816885  -0.38799     0.924586  20.2782     172.55      4.4014      172.55      
1 1 1 25 4  14 f 15.8267 5.01043 0.459678     0.793825  -0.0395102   0.934509  11.0872     292.251     0           0           
1 1 1 25 4  15 o 16.6215 5.19342 0.280715     0.819476  0.619205     0.935277  24.4454     24.4219     12.3876     24.4219     
1 1 1 25 4  16 o 16.0571 4.97532 0.949183     0.848965  -0.398575    0.827442  23.3812     144.147     11.2207     144.147     
1 1 1 25 4  17 o 12.8995 4.28695 0.379057     0.783026  -1.39082     0.755982  15.956      35.5546     5.50747     35.5546     
1 1 1 25 4  18 o 13.6185 4.50514 0.193461     0.806373  -0.524087    0.796883  15.3105     4.82487     1.57437     184.825     
1 1 1 25 4  19 o 12.9569 4.35747 -0.0438724   0.79331   -0.680078    0.823101  10.3473     310.866     10.832      130.866     
1 1 1 25 4  20 o 12.293  4.17171 -1.33648     0.77888   0.118621     0.793897  12.8021     279.098     1.67484     99.0976     
1 1 1 25 4  21 o 13.128  4.40038 0.100571     0.815807  -0.563919    0.798371  13.0023     175.175     4.36174     355.175     
1 1 1 25 4  22 o 12.0238 4.10443 -2.25638     0.771053  0.422604     0.817807  12.0815     3.46311     0.865646    183.463     
1 1 1 25 4  23 o 18.172  5.49547 0.820314     0.915237  1.33624      0.937011  26.0948     38.4041     10.8024     38.4041     
1 1 1 25 4  24 o 13.3354 4.4747  0.313234     0.859745  -0.525762    0.816078  15.2426     203.976     3.99081     203.976     
1 1 1 25 4  25 o 13.2379 4.41706 0.429268     0.811404  -0.588254    0.799746  14.3791     109.439     0.0939298   289.439     
1 1 1 25 4  26 o 10.9423 3.83199 -0.719006    0.822919  -1.09172     0.798433  8.12919     207.038     7.64662     27.0377     
1 1 1 25 4  27 o 13.8984 4.66709 0.0234221    0.93245   0.294927     0.894022  0.78373     20.9434     0.507635    20.9434     
1 1 1 25 4  28 o 16.7738 5.15941 -1.25626     0.946199  2.36461      1.02962   22.4043     136.246     7.71275     136.246     
1 1 1 25 4  29 o 11.4581 3.99878 -0.989172    0.833476  -0.338195    0.873194  9.81814     108.069     0.293154    288.069     
1 1 1 25 4  30 o 9.6259  3.4358  -2.11672     0.772543  -0.869686    0.801802  3.3492      43.4627     0.692989    223.463     
1 1 1 25 4  31 o 13.3422 4.51186 -0.477282    0.878872  0.619532     0.902826  12.322      308.276     4.54772     308.276     
1 1 1 25 4  32 o 14.6179 4.88383 0.566388     0.981705  0.654753     0.964923  15.7308     328.52      7.24526     328.52      
1 1 1 25 4  33 o 14.6965 4.94305 0.790137     0.980522  0.670616     1.08899   16.7274     249.071     7.45609     249.071     
1 1 1 25 4  34 o 15.2827 5.04831 1.51982      1.03442   0.404916     0.952894  15.5541     24.7541     9.52586     24.7541     
1 1 1 25 4  35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 4  36 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 5  0  o 7.71641 3.97921 -1.88294     0.944313  -1.88294     0.944313  2.42158     270         11.5556     90          
1 1 1 25 5  1  o 21.8514 6.2782  1.24014      1.08858   1.23525      1.13794   17.8176     156.864     22.5221     336.864     
1 1 1 25 5  2  o 17.5665 5.49015 0.375952     1.0789    0.389996     0.890711  10.0797     107.944     25.9576     287.944     
1 1 1 25 5  3  o 19.7316 5.68135 1.62079      1.06432   0.0768345    0.829712  31.6029     249.153     18.1197     249.153     
1 1 1 25 5  4  o 17.7419 5.44601 1.2283       1.07175   -0.397915    0.841745  23.3909     154.004     3.1046      154.004     
1 1 1 25 5  5  o 15.726  4.91829 -1.10398     1.04537   0.657581     0.763209  21.1858     142.182     11.4211     142.182     
1 1 1 25 5  6  o 18.0116 5.29678 0.286458     0.87121   0.888103     0.804299  23.6016     172.384     2.17735     172.384     
1 1 1 25 5  7  o 16.6897 5.11525 0.570192     0.83527   0.18897      0.806816  16.4869     238.546     9.56882     58.5455     
1 1 1 25 5  8  o 14.0149 4.5622  -0.479994    0.808985  0.0984222    0.745673  17.5517     343.34      7.47756     343.34      
1 1 1 25 5  9  o 14.9275 4.79769 -0.0812426   0.827477  0.118962     0.797271  19.4166     242.518     10.1323     242.518     
1 1 1 25 5  10 o 15.7423 4.95587 -0.376723    0.840012  0.630934     0.846321  14.9318     303.217     9.92923     123.217     
1 1 1 25 5  11 o 14.4376 4.68804 -0.301904    0.80943   0.148859     0.801974  18.9892     359.761     7.31762     359.761     
1 1 1 25 5  12 o 18.6568 5.24042 -0.758384    0.852188  1.79905      0.941463  16.4513     265.767     15.919      85.7665     
1 1 1 25 5  13 o 30.4269 6.06821 1.95498      0.962869  3.46252      1.08933   41.4086     298.018     0.871397    298.018     
1 1 1 25 5  14 o 19.2783 5.60894 0.819919     0.875937  1.12393      0.930266  23.3996     346.122     18.1503     346.122     
1 1 1 25 5  15 o 40.7416 5.63059 4.07848      1.09126   4.84315      1.20308   64.1198     4.362       17.1486     4.362       
1 1 1 25 5  16 o 15.0091 4.84574 0.630395     0.855824  -0.633123    0.904061  12.6309     145.135     12.5649     325.135     
1 1 1 25 5  17 o 18.9097 5.14551 -0.750098    0.807989  2.12217      0.933888  26.8765     26.2353     20.8264     26.2353     
1 1 1 25 5  18 o 24.6346 6.1509  1.69118      0.924382  2.40412      1.04149   32.5453     143.695     0.853379    143.695     
1 1 1 25 5  19 o 23.3728 5.91803 2.0154       0.926059  1.59636      0.901787  33.1531     11.0079     6.32943     11.0079     
1 1 1 25 5  20 o 14.7255 4.75324 -0.0593871   0.816778  0.480832     0.812169  10.9676     234.882     14.6636     54.8819     
1 1 1 25 5  21 o 15.5191 4.98251 0.250162     0.902806  0.568024     0.851238  15.9049     349.813     5.73877     169.813     
1 1 1 25 5  22 o 14.5225 4.72114 -0.310163    0.826721  0.667208     0.840544  12.407      133.644     7.60124     133.644     
1 1 1 25 5  23 f 16.6349 4.95794 -1.35943     0.88707   1.8469       0.908096  20.1258     184.346     0           0           
1 1 1 25 5  24 o 12.3983 4.21848 0.148916     0.822701  -0.854196    0.778687  12.984      33.3906     3.65726     33.3906     
1 1 1 25 5  25 o 17.053  5.30322 1.21644      0.933813  0.717156     0.885364  19.8295     338.973     1.27196     158.973     
1 1 1 25 5  26 o 12.088  4.12733 -2.48456     0.817178  0.658819     0.827125  6.99026     214.267     14.5535     34.2669     
1 1 1 25 5  27 o 16.8928 5.17296 2.05026      0.976308  -0.386945    0.865665  22.6238     305.123     7.17415     305.123     
1 1 1 25 5  28 o 16.6773 5.27441 1.01847      0.942194  1.07883      0.928592  18.863      259.494     11.9628     259.494     
1 1 1 25 5  29 o 17.2144 5.22934 2.04342      0.934913  -0.257472    1.01708   22.2199     26.2158     6.33814     26.2159     
1 1 1 25 5  30 o 12.3947 4.27326 -0.548338    0.818113  0.0963031    0.940082  2.10907     162.75      0.913122    162.75      
1 1 1 25 5  31 o 20.4277 5.98604 2.77215      1.12659   1.50354      0.963867  30.1224     40.6278     16.4219     40.6278     
1 1 1 25 5  32 o 13.3313 6.42326 -2.93954     0.746447  0.192886     0.932355  9.41511     281.875     0.272804    281.875     
1 1 1 25 5  33 o 14.2073 4.66703 1.54598      0.910372  -0.931431    0.86927   9.66784     70.2397     5.95118     70.2397     
1 1 1 25 5  34 o 11.1562 3.9046  -0.390659    0.851306  -0.70359     0.823883  9.76248     285.996     2.16045     285.996     
1 1 1 25 5  35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 6  0  o 8.50661 4.2252  -0.596588    0.716504  -0.596588    0.716504  10.1037     90          43.9357     90          
1 1 1 25 6  1  o 18.3161 4.9372  1.51052      0.790085  -0.770165    0.824273  26.3451     312.296     7.07268     312.296     
1 1 1 25 6  2  f 24.7892 5.57563 0.592645     0.842553  2.63112      0.964075  34.4548     126.363     0           0           
1 1 1 25 6  3  o 19.4186 5.65001 1.07416      0.967143  0.632703     0.866316  30.6237     286.328     15.7246     286.328     
1 1 1 25 6  4  o 12.8032 4.33868 -0.639782    0.880474  -0.641282    0.763155  14.5975     157.341     3.3576      157.341     
1 1 1 25 6  5  o 17.7018 5.34978 -0.160897    0.980453  0.978093     0.871643  20.5097     42.1211     3.81217     222.121     
1 1 1 25 6  6  o 20.5138 5.8484  0.939677     1.01499   1.16844      0.915131  28.7108     191.714     5.38362     191.714     
1 1 1 25 6  7  o 37.2382 5.62928 2.9107       1.12711   4.24171      0.990716  62.2361     99.541      22.9041     99.541      
1 1 1 25 6  8  o 15.8137 4.90966 0.165343     0.783515  0.395871     0.769645  21.8032     109.952     7.06025     109.952     
1 1 1 25 6  9  o 15.6568 4.84323 0.718581     0.791782  -0.330689    0.766234  12.567      194.125     8.93847     194.125     
1 1 1 25 6  10 o 20.8437 5.31793 1.8252       0.831079  0.275127     0.816329  35.0317     144.865     19.0654     144.865     
1 1 1 25 6  11 o 18.2111 5.32509 0.513115     0.815444  0.976857     0.836349  25.358      294.291     5.65456     294.291     
1 1 1 25 6  12 f 14.4146 4.68886 0.155463     0.803732  -0.239914    0.81604   30.4279     196.34      0           0           
1 1 1 25 6  13 o 16.1023 4.95952 0.835623     0.80523   -0.200896    0.820279  23.4933     78.801      12.1662     78.801      
1 1 1 25 6  14 o 10.4753 3.65516 -1.0706      0.701124  -1.07796     0.73012   7.41854     181.204     9.30995     1.20391     
1 1 1 25 6  15 o 15.1143 4.66824 1.20532      0.844817  -1.52667     0.763225  18.4333     214.787     0.183599    214.787     
1 1 1 25 6  16 o 19.3961 5.3542  1.85887      0.88745   -0.0915764   0.913667  30.0112     216.297     12.4698     216.297     
1 1 1 25 6  17 o 11.8815 4.0863  -0.232954    0.782952  -1.60413     0.875015  11.6484     226.934     3.6074      46.9342     
1 1 1 25 6  18 o 17.8367 5.40496 1.21531      0.906124  0.422047     0.926439  26.6445     195.489     12.4643     195.489     
1 1 1 25 6  19 o 11.2627 3.92311 -1.19959     0.746625  -0.633606    0.849502  8.68184     12.102      3.30824     12.102      
1 1 1 25 6  20 o 15.632  5.09245 0.0403737    0.926908  0.709355     0.988577  18.306      127.633     0.125639    307.634     
1 1 1 25 6  21 o 11.5955 3.99787 -0.860339    0.759537  -0.427242    0.796515  9.4095      37.3699     3.16716     37.3699     
1 1 1 25 6  22 o 15.6763 4.97977 0.882322     0.853909  0.125705     0.868565  11.1714     163.818     7.66328     163.818     
1 1 1 25 6  23 o 12.4751 4.24026 -0.207523    0.797443  -0.363604    0.806691  8.45076     45.8708     4.28311     45.8708     
1 1 1 25 6  24 o 11.3645 3.95684 -1.60736     0.758828  -0.0241707   0.844819  10.8491     326.381     0.849258    326.381     
1 1 1 25 6  25 o 13.4629 4.50947 0.672834     0.857898  -1.05531     0.916223  13.5367     19.6785     3.54705     199.679     
1 1 1 25 6  26 o 15.6371 5.12495 0.615501     0.926938  0.81075      1.04911   18.334      264.573     10.8197     264.573     
1 1 1 25 6  27 o 16.7263 5.22461 1.64862      0.961955  0.349695     0.855822  10.3131     13.175      7.38786     13.175      
1 1 1 25 6  28 o 12.2238 4.21035 -1.11827     0.862484  0.26423      0.87142   10.5171     208.804     2.80683     208.804     
1 1 1 25 6  29 o 14.7409 4.87713 1.2281       1.00015   -0.142792    0.858197  16.0172     175.5       1.2462      175.5       
1 1 1 25 6  30 f 11.1466 3.89094 -0.838647    0.815481  -0.479685    0.813401  4.7074      14.869      0           0           
1 1 1 25 6  31 o 11.7924 4.10211 -0.713155    0.855606  -0.155723    0.895031  10.2626     76.6793     1.21984     76.6794     
1 1 1 25 6  32 o 11.3511 3.99079 -1.67206     0.853223  0.19457      0.919291  7.15154     349.479     2.33718     349.479     
1 1 1 25 6  33 o 13.0327 4.42956 0.531261     0.918577  -0.0801045   0.817588  10.9529     303.445     5.5996      303.445     
1 1 1 25 6  34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 6  35 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 7  0  o 10.0865 4.80516 -0.114454    0.722771  -0.114454    0.722771  8.36825     89.9999     1.88475     89.9999     
1 1 1 25 7  1  o 14.037  4.53253 -0.466446    0.743826  0.224639     0.749443  12.4748     354.758     9.81919     174.758     
1 1 1 25 7  2  o 14.2276 4.57774 -0.272252    0.733884  0.176802     0.755837  17.6487     59.0557     8.98048     59.0557     
1 1 1 25 7  3  f 18.807  5.35986 0.00886355   0.820824  1.41826      0.897252  19.9107     198.571     0           0           
1 1 1 25 7  4  o 18.3254 5.35621 0.417709     0.786829  1.01797      0.880596  26.9803     79.3455     9.50724     79.3455     
1 1 1 25 7  5  o 14.5622 4.75749 0.313203     0.892744  -0.631192    0.806811  18.8514     219.577     5.35337     219.577     
1 1 1 25 7  6  o 11.5711 3.985   -1.73633     0.865447  -0.471121    0.731701  12.0935     195.439     1.71606     195.439     
1 1 1 25 7  7  o 16.1385 5.02874 1.07986      0.938752  -0.907028    0.826014  23.1691     23.1719     11.6034     23.1719     
1 1 1 25 7  8  f 13.7443 4.58354 -0.430969    0.940302  -0.237477    0.762866  3.03615     228.84      0           0           
1 1 1 25 7  9  o 17.4131 5.21828 0.501896     0.810004  0.72062      0.824621  21.1248     102.726     1.46034     282.726     
1 1 1 25 7  10 o 17.2518 4.99924 -0.399271    0.773745  1.3011       0.818658  22.7245     289.968     2.60367     289.968     
1 1 1 25 7  11 o 15.4721 4.62913 -1.30111     0.758507  1.14695      0.777015  18.9955     44.9842     0.107922    44.985      
1 1 1 25 7  12 o 13.4628 4.4206  0.0329073    0.734256  -0.325766    0.756     16.3306     271.981     8.20542     271.981     
1 1 1 25 7  13 o 25.1516 4.55801 3.54758      0.910925  -0.561841    0.816811  46.9971     34.5069     29.2948     34.5069     
1 1 1 25 7  14 o 18.6674 5.11403 1.75678      0.843595  -0.292219    0.80894   23.4141     161.973     0.744669    341.973     
1 1 1 25 7  15 o 21.5879 5.69508 1.73719      0.874736  1.14208      0.862604  30.919      258.537     6.8262      258.537     
1 1 1 25 7  16 o 22.7679 5.61942 2.08656      0.850328  1.08045      0.874106  35.878      25.7951     14.1301     25.7951     
1 1 1 25 7  17 o 12.1335 4.09013 0.242632     0.745674  -1.56947     0.752937  11.9449     165.752     5.28084     165.752     
1 1 1 25 7  18 o 17.6752 5.40072 0.688598     0.924148  1.03067      0.898598  15.9571     198.197     12.75       18.1969     
1 1 1 25 7  19 o 14.7762 4.85458 -0.330757    0.846756  0.662819     0.950263  10.7971     232.997     7.01249     232.997     
1 1 1 25 7  20 o 16.084  5.20864 0.887269     0.981348  0.142225     1.00467   20.4443     236.482     4.52029     236.482     
1 1 1 25 7  21 o 14.0306 4.73403 0.46712      0.935674  -0.998145    1.0779    14.7878     288.149     2.24412     108.149     
1 1 1 25 7  22 o 12.6605 4.35783 -0.74539     0.859056  -0.131087    0.956414  12.3648     258.779     4.97208     258.779     
1 1 1 25 7  23 o 13.8494 4.64174 -0.27029     0.835095  0.427897     0.939704  13.7693     11.1176     4.34936     191.118     
1 1 1 25 7  24 o 16.7809 5.08947 1.88043      0.93039   -0.59808     0.876094  23.8118     215.072     12.3895     215.072     
1 1 1 25 7  25 o 16.624  5.21383 0.875419     0.88045   1.01438      0.907899  22.6747     260.525     9.09528     260.525     
1 1 1 25 7  26 o 11.8196 4.08065 -0.611206    0.839256  -0.276321    0.80719   10.9676     219.475     1.6978      39.4748     
1 1 1 25 7  27 o 18.6908 5.5415  0.731668     0.99475   2.10514      0.951643  22.0765     282.243     0.382857    102.243     
1 1 1 25 7  28 o 14.4999 4.79436 0.454023     0.921157  0.537398     0.873205  16.0276     216.022     2.98341     216.022     
1 1 1 25 7  29 o 14.3694 4.77396 -0.053742    0.872932  0.915189     0.946251  15.7073     240.535     4.74459     240.535     
1 1 1 25 7  30 o 15.6607 5.19899 0.561233     0.9341    1.41448      1.18622   13.3951     219.139     8.16596     219.139     
1 1 1 25 7  31 o 13.0265 4.46776 0.76164      0.973335  -0.774896    0.902071  12.622      272.287     4.58419     272.287     
1 1 1 25 7  32 o 11.0889 3.89085 0.237358     0.852194  -1.78492     0.820225  3.6833      271.202     1.47288     271.202     
1 1 1 25 7  33 o 12.8309 4.37676 0.725812     0.870998  -0.86872     0.946436  13.6713     250.99      4.90496     250.99      
1 1 1 25 7  34 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 8  0  o 10.5992 5.02763 -0.0498037   0.775523  -0.0498037   0.775523  7.16219     270         43.9281     270         
1 1 1 25 8  1  o 18.6786 5.30044 0.426973     0.803126  1.14729      0.806081  26.5046     223.166     6.56339     223.166     
1 1 1 25 8  2  o 19.652  5.47695 0.982586     0.827033  0.968445     0.814696  30.3391     139.37      12.4695     139.37      
1 1 1 25 8  3  o 35.0274 5.44335 3.2014       0.965135  3.09316      0.957586  38.5362     221.348     18.9343     41.3482     
1 1 1 25 8  4  o 13.8315 4.44068 -0.910979    0.733321  0.479517     0.739666  12.8063     133.12      8.42158     313.12      
1 1 1 25 8  5  o 13.3455 4.40164 -0.373612    0.704632  -0.0607549   0.785539  16.5263     46.3592     5.42651     46.3592     
1 1 1 25 8  6  o 13.0756 4.38254 -0.807425    0.786418  -0.085646    0.814494  14.6845     61.9513     0.453799    241.951     
1 1 1 25 8  7  o 16.5786 5.19215 -0.0540058   0.948214  0.717056     0.870609  20.7662     127.278     0.919272    127.278     
1 1 1 25 8  8  o 13.6054 4.57274 -0.776995    0.91674   -0.125481    0.859619  16.1715     10.3306     8.01327     10.3306     
1 1 1 25 8  9  o 13.467  4.50024 -1.05245     0.964345  0.0515372    0.77103   10.4629     185.365     12.4043     5.36498     
1 1 1 25 8  10 o 16.5313 5.05423 0.207379     0.799939  0.770705     0.809621  23.5605     120.579     8.27222     120.579     
1 1 1 25 8  11 o 13.6283 4.46227 0.193648     0.741844  -0.450281    0.77826   13.3837     6.40637     6.35254     186.406     
1 1 1 25 8  12 o 14.4783 4.52679 0.805866     0.739678  -0.840061    0.733693  19.2433     66.266      5.27085     66.266      
1 1 1 25 8  13 o 17.7699 5.02068 -0.467051    0.794839  1.61529      0.835324  28.2428     296.892     17.2315     296.892     
1 1 1 25 8  14 o 14.7697 4.73551 0.570768     0.796148  -0.314206    0.818063  18.0871     106.742     1.38345     106.742     
1 1 1 25 8  15 o 13.8954 4.58439 0.334232     0.799255  -0.659486    0.883536  14.2951     279.031     4.49144     99.0312     
1 1 1 25 8  16 o 14.1684 4.56862 0.73514      0.783421  -1.13981     0.862157  13.6695     59.9119     6.83089     239.912     
1 1 1 25 8  17 o 18.4979 5.40424 -0.0564364   0.914386  1.83718      0.94922   22.0959     242.547     1.77685     62.5466     
1 1 1 25 8  18 o 13.12   4.39134 0.292995     0.812873  -0.798483    0.806479  14.3295     165.517     0.328074    165.517     
1 1 1 25 8  19 o 15.9513 5.09352 0.981429     0.945965  0.104304     0.859667  17.7176     307.708     2.44111     127.707     
1 1 1 25 8  20 o 12.5182 4.28031 0.187911     0.876545  -1.19634     0.820397  12.5551     203.241     1.60739     23.2409     
1 1 1 25 8  21 f 10.33   3.62418 -0.512535    0.724865  -1.76944     0.772176  16.2986     266.755     0           0           
1 1 1 25 8  22 o 13.0049 4.45175 -1.23259     0.782184  0.63667      0.990416  7.23803     50.0215     4.09863     50.0215     
1 1 1 25 8  23 o 14.8803 4.88657 0.685484     0.886063  0.111953     0.952273  16.0198     242.474     9.57941     242.474     
1 1 1 25 8  24 o 16.4433 5.18332 1.32795      0.908449  0.345389     0.946784  22.4562     278.518     10.7575     278.518     
1 1 1 25 8  25 o 17.1039 5.2914  0.587832     0.866728  1.58818      0.945366  22.3735     264.936     6.1595      264.936     
1 1 1 25 8  26 o 15.5109 4.93926 -0.287945    0.820852  1.5261       0.928327  15.2431     340.365     9.23203     340.365     
1 1 1 25 8  27 o 23.8703 5.93523 1.2244       0.968346  3.81708      1.09498   35.9665     175.801     14.5753     175.801     
1 1 1 25 8  28 o 11.5905 4.00314 -0.551093    0.806269  -0.285878    0.781181  5.49738     219.126     1.65024     219.126     
1 1 1 25 8  29 o 11.1251 3.90046 -1.20146     0.801257  -0.247794    0.870841  8.02471     139.439     0.811364    139.439     
1 1 1 25 8  30 o 16.8732 5.27565 1.91197      0.960879  0.456278     0.952688  22.2202     61.0457     10.5981     61.0457     
1 1 1 25 8  31 o 20.7224 5.68962 1.1074       0.99967   3.03745      0.98384   31.8829     101.287     21.4303     101.287     
1 1 1 25 8  32 o 13.4476 4.53055 0.942252     0.914351  -0.351509    0.836033  15.1701     50.5824     4.48847     50.5824     
1 1 1 25 8  33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 9  0  f 6.89855 3.53179 -1.13143     0.672284  -1.13143     0.672284  4.82997     270         0           0           
1 1 1 25 9  1  o 15.7632 4.89224 0.0597552    0.764262  0.57759      0.787165  18.2235     233.501     2.41723     53.5011     
1 1 1 25 9  2  f 12.4158 4.10553 -1.45404     0.673755  0.329731     0.718662  9.77841     359.316     0           0           
1 1 1 25 9  3  f 10.7822 3.71983 -0.961409    0.677586  -0.716652    0.680016  21.0237     104.614     0           0           
1 1 1 25 9  4  o 24.2122 5.59588 1.16463      0.826379  2.15845      0.855518  36.3974     184.405     9.70046     184.405     
1 1 1 25 9  5  o 15.7367 4.76693 -0.400966    0.753664  0.903306     0.748418  21.2319     194.293     5.04309     194.293     
1 1 1 25 9  6  o 12.7155 4.23825 -0.0330338   0.726457  -0.690445    0.742612  14.9628     97.9826     6.21999     97.9826     
1 1 1 25 9  7  o 18.1541 5.40906 0.831066     0.797164  0.767051     0.952133  12.8373     301.22      21.5901     121.22      
1 1 1 25 9  8  o 16.1512 5.11971 -0.109413    0.926053  0.737849     0.89257   22.3897     322.149     13.799      322.148     
1 1 1 25 9  9  o 17.3253 5.53724 0.527114     0.991526  0.658163     1.13053   18.6184     41.5692     6.29389     221.569     
1 1 1 25 9  10 f 11.7717 4.11682 -0.843       0.915756  -1.6886      0.945307  13.3401     201.82      0           0           
1 1 1 25 9  11 o 13.0005 4.34548 -0.382046    0.767041  -0.142929    0.77792   13.0143     93.3868     4.75393     273.387     
1 1 1 25 9  12 o 14.3089 4.64228 -0.406329    0.833721  0.425418     0.777638  14.2127     55.814      9.09604     55.814      
1 1 1 25 9  13 f 18.8395 5.44619 0.960354     0.858834  1.10129      0.832305  19.6286     36.7769     0           0           
1 1 1 25 9  14 o 15.7962 5.02676 0.781763     0.920095  0.068189     0.811416  21.227      339.096     6.81798     339.096     
1 1 1 25 9  15 o 21.8415 5.95728 2.17057      1.01235   1.17514      0.940181  28.7668     299.959     2.3346      299.959     
1 1 1 25 9  16 o 21.2052 5.84397 1.18585      0.918896  1.95699      0.963607  23.8053     12.5359     6.36987     192.536     
1 1 1 25 9  17 o 13.7192 4.57534 0.589614     0.899863  -0.88967     0.821512  15.1808     162.004     0.232138    162.004     
1 1 1 25 9  18 o 13.5023 4.49788 -0.597565    0.835687  0.375088     0.825964  14.6007     108.206     6.42306     108.206     
1 1 1 25 9  19 o 17.0733 5.26976 1.19173      0.876525  0.491755     0.931293  23.2107     60.3267     13.9821     60.3267     
1 1 1 25 9  20 o 13.7512 4.59569 0.052176     0.81019   0.0661424    0.915362  11.5182     170.799     9.45996     350.799     
1 1 1 25 9  21 o 14.2223 4.71461 0.230552     0.841437  0.224811     0.910739  16.7558     152.279     2.59833     152.279     
1 1 1 25 9  22 o 16.1802 5.08177 1.29898      0.891397  0.154492     0.876976  20.8033     135.732     4.7503      135.732     
1 1 1 25 9  23 o 13.0746 4.40159 -0.182802    0.829782  0.164181     0.815565  13.5917     29.9389     1.09787     209.939     
1 1 1 25 9  24 o 21.84   6.14741 1.85411      1.00862   2.65642      1.09219   29.6316     85.9133     6.37551     85.9133     
1 1 1 25 9  25 o 12.8644 4.3627  -0.352658    0.787976  0.280482     0.876796  8.17022     299.378     3.86741     299.378     
1 1 1 25 9  26 o 15.2124 4.95681 0.482198     0.847684  0.928341     0.957381  11.0847     58.8911     6.63418     58.8911     
1 1 1 25 9  27 o 13.2194 4.52914 -0.481864    0.809131  0.591728     1.04677   11.506      285.189     4.15073     285.189     
1 1 1 25 9  28 o 11.319  3.96877 -1.25244     0.87069   -0.25853     0.885292  8.59814     73.6152     5.06955     253.615     
1 1 1 25 9  29 o 13.1051 4.48659 -0.835381    0.862928  0.867655     0.986224  11.4385     82.5104     4.95012     82.5104     
1 1 1 25 9  30 o 10.1737 3.60044 -0.894249    0.807981  -1.07747     0.789404  5.31494     11.7028     0.911459    11.7028     
1 1 1 25 9  31 o 13.172  4.47334 0.383953     0.912202  0.107683     0.860346  9.65026     212.746     5.39053     212.746     
1 1 1 25 9  32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 10 0  o 16.807  6.50808 1.05713      0.811641  1.05713      0.811641  30.4145     270         16.6361     270         
1 1 1 25 10 1  o 13.4853 4.42764 0.157545     0.744349  -0.466453    0.763072  17.014      141.105     7.71449     141.105     
1 1 1 25 10 2  o 12.9738 4.37135 -0.683869    0.673128  0.0445326    0.900582  13.9962     240.854     7.40163     240.854     
1 1 1 25 10 3  o 14.6058 4.76292 0.0828403    0.729975  0.0365863    0.949273  18.7073     251.94      3.74718     251.94      
1 1 1 25 10 4  o 15.0699 4.78151 0.488309     0.755635  -0.0895399   0.829316  20.7942     354.057     11.2881     354.057     
1 1 1 25 10 5  o 21.0561 5.77145 1.19863      0.904096  1.51445      0.90284   21.1919     326.701     12.5192     146.701     
1 1 1 25 10 6  o 23.579  5.8669  2.25382      0.967011  1.25158      0.845973  39.5288     251.487     19.8305     251.487     
1 1 1 25 10 7  o 16.0145 4.95014 0.165618     0.803881  0.716728     0.780921  14.6092     94.8793     11.2337     274.879     
1 1 1 25 10 8  o 18.3959 5.11015 1.72916      0.842997  -0.420708    0.852725  28.3062     278.921     12.5601     278.921     
1 1 1 25 10 9  o 18.1758 5.64212 0.208865     1.27971   1.21669      0.939234  27.5585     348.216     14.7228     348.216     
1 1 1 25 10 10 o 13.8652 4.68361 0.100288     1.0316    -0.566266    0.821534  17.2384     219.625     6.9554      219.625     
1 1 1 25 10 11 o 17.6017 5.45659 1.32426      1.08065   0.363498     0.809892  20.9655     351.099     1.35727     171.099     
1 1 1 25 10 12 o 14.6237 4.66731 -0.339507    0.788934  0.648411     0.771325  18.1408     94.7105     3.13925     94.7105     
1 1 1 25 10 13 o 18.8785 5.58305 1.00226      0.868912  1.25465      0.959102  25.9921     51.4083     6.4034      51.4083     
1 1 1 25 10 14 o 12.2584 4.19248 -0.217224    0.803968  -0.891026    0.837401  4.77135     111.877     20.2216     291.878     
1 1 1 25 10 15 o 14.2007 4.66312 0.750308     0.875649  -0.814264    0.839504  14.2075     359.529     4.68583     179.529     
1 1 1 25 10 16 o 14.8939 4.81961 0.676848     0.844361  -0.114379    0.861418  7.52196     297.254     5.00405     297.254     
1 1 1 25 10 17 f 17.3305 5.31435 0.79586      0.859441  1.05513      0.907042  20.438      308.86      0           0           
1 1 1 25 10 18 o 15.9875 4.99132 0.35475      0.785758  0.974841     0.846162  18.463      137.33      0.784156    317.33      
1 1 1 25 10 19 o 16.0196 5.0463  0.391234     0.83353   0.986431     0.872794  21.5035     300.963     8.54246     300.963     
1 1 1 25 10 20 o 12.9615 4.33952 -0.450932    0.758468  0.322426     0.800886  3.52921     336.724     2.12054     336.724     
1 1 1 25 10 21 o 21.7423 5.76393 1.97779      0.888853  1.70417      0.870748  36.0168     9.16511     24.1606     9.16511     
1 1 1 25 10 22 o 14.6905 4.66307 -0.536219    0.81343   1.14917      0.796511  14.2694     192.68      8.69286     192.68      
1 1 1 25 10 23 o 11.9693 4.08509 -0.623411    0.757783  0.0541722    0.772171  2.95518     265.65      1.38054     265.65      
1 1 1 25 10 24 o 11.952  4.09775 -0.0750991   0.795728  -0.536316    0.784035  7.5334      290.995     2.65236     290.995     
1 1 1 25 10 25 o 16.1697 5.12623 1.30215      0.932144  0.584731     0.852215  19.0264     254.246     9.6916      254.246     
1 1 1 25 10 26 o 13.4859 4.50753 0.109149     0.877268  0.302658     0.792442  13.7928     212.535     2.96595     212.535     
1 1 1 25 10 27 o 13.4556 4.57733 -0.753167    0.825145  1.00717      1.00866   13.9341     245.216     2.29267     245.216     
1 1 1 25 10 28 f 14.2254 4.80644 0.310456     0.945966  0.691191     1.04084   6.34017     228.959     0           0           
1 1 1 25 10 29 o 12.1548 4.18365 0.481025     0.842985  -1.12937     0.898622  9.04116     180.775     3.85912     180.775     
1 1 1 25 10 30 o 11.2112 3.90552 -0.297045    0.79583   -0.654557    0.820156  7.86142     16.7003     2.88002     16.7003     
1 1 1 25 10 31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 11 0  o 7.11134 3.63511 -1.08127     0.698483  -1.08127     0.698483  0.0240472   270         0.0169806   90.0004     
1 1 1 25 11 1  o 12.439  4.17467 -0.87816     0.732702  0.0477972    0.743427  14.3279     152.843     5.38367     152.843     
1 1 1 25 11 2  o 19.2078 5.23544 -0.415893    0.899604  1.95765      0.885935  25.0864     353.885     19.7094     353.885     
1 1 1 25 11 3  o 17.1102 5.1581  0.249812     0.865153  1.01103      0.80519   23.3131     218.5       16.0211     218.5       
1 1 1 25 11 4  o 21.2577 5.87254 1.26074      1.18421   1.59299      0.822685  35.5946     333.955     24.4966     333.955     
1 1 1 25 11 5  o 21.035  5.75853 1.95147      1.00405   0.905641     0.798969  33.9634     45.9638     17.3375     45.9638     
1 1 1 25 11 6  o 17.4704 5.3354  1.00331      0.967073  0.568275     0.792675  26.0291     305.934     13.7363     305.934     
1 1 1 25 11 7  o 18.7723 5.39503 1.28153      0.805431  0.695991     0.893124  23.1132     263.433     0.677127    83.4328     
1 1 1 25 11 8  o 20.7405 5.34065 0.592027     0.782628  1.93804      0.829008  34.4426     233.609     19.8528     233.609     
1 1 1 25 11 9  o 15.4692 4.75333 1.08847      0.778732  -0.811063    0.842846  19.9016     313.294     4.05726     313.294     
1 1 1 25 11 10 o 16.8566 5.42321 1.7618       1.18228   -0.825973    0.977797  10.5348     346.96      21.5564     166.96      
1 1 1 25 11 11 o 15.9937 5.23311 -0.10124     1.11813   0.786126     0.991955  9.12216     25.5775     6.38243     25.5775     
1 1 1 25 11 12 o 12.685  4.38606 -0.0766236   1.06379   -0.865232    0.744048  13.5174     327.835     2.0409      327.835     
1 1 1 25 11 13 o 10.4443 3.64595 -1.99459     0.711257  -0.241093    0.717037  5.70539     202.302     1.33053     202.302     
1 1 1 25 11 14 o 18.136  5.42077 1.12221      0.882897  1.00025      0.870989  26.4123     41.0571     15.6012     41.0571     
1 1 1 25 11 15 o 13.7291 4.51284 0.271672     0.783509  -0.0534805   0.770261  15.978      323.655     3.19443     323.655     
1 1 1 25 11 16 o 12.5702 4.21946 -0.168483    0.749057  -0.125284    0.736492  12.4121     86.9499     2.59764     266.95      
1 1 1 25 11 17 o 19.439  5.34422 0.517327     0.86653   1.96277      0.844387  21.2855     124.988     16.7304     124.988     
1 1 1 25 11 18 o 11.688  4.0026  -1.09977     0.729882  0.0908418    0.770241  11.6644     101.291     0.921525    101.291     
1 1 1 25 11 19 o 17.2967 5.13048 1.74926      0.869601  0.00920567   0.839461  24.9438     157.174     11.98       157.174     
1 1 1 25 11 20 o 13.274  4.41558 0.284798     0.78192   -0.0819052   0.782866  14.9372     116.146     3.32875     116.146     
1 1 1 25 11 21 o 15.8536 4.85364 -0.41137     0.810589  1.5468       0.831565  20.6627     106.705     10.2142     106.705     
1 1 1 25 11 22 o 18.1887 5.32552 1.8613       0.878702  0.60057      0.860028  22.8858     200.315     3.34386     200.315     
1 1 1 25 11 23 o 12.5635 4.25506 0.489555     0.812389  -0.905165    0.808178  11.6606     44.9725     2.10715     44.9725     
1 1 1 25 11 24 o 16.6052 5.2329  1.42941      0.904115  0.576886     0.992597  20.7955     239.737     8.4615      239.737     
1 1 1 25 11 25 o 13.6997 4.52859 -0.212413    0.839125  0.682695     0.800223  13.5233     19.1775     1.82224     199.178     
1 1 1 25 11 26 o 14.3264 4.6983  -0.571901    0.900514  1.19827      0.875086  13.2333     299.393     7.01255     299.393     
1 1 1 25 11 27 o 18.4201 5.69506 1.82901      1.07549   1.73942      0.99241   25.4119     295.401     11.627      295.401     
1 1 1 25 11 28 o 11.0716 3.88512 -0.213505    0.894508  -0.940911    0.762323  8.95154     246.237     1.67214     246.237     
1 1 1 25 11 29 f 13.3487 4.53516 0.629517     0.922975  -0.134702    0.915538  8.05562     30.0039     0           0           
1 1 1 25 11 30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 12 0  o 15.442  6.30996 0.932471     0.817494  0.932471     0.817494  13.2638     90          9.6823      90          
1 1 1 25 12 1  o 16.9886 4.91205 1.60009      0.843861  -0.53823     0.723344  23.2162     305.349     15.6765     305.349     
1 1 1 25 12 2  o 11.9634 4.03949 -0.347122    0.696287  -0.402129    0.706695  7.29448     334.194     3.7115      334.194     
1 1 1 25 12 3  o 15.2895 4.70755 0.915493     0.737782  -0.368898    0.776738  17.4419     208.377     1.60927     28.377      
1 1 1 25 12 4  o 15.7537 4.81323 -0.748359    0.862178  1.14924      0.787048  21.6633     163.535     9.05296     163.535     
1 1 1 25 12 5  o 16.2778 5.10105 0.928562     0.887459  0.178667     0.843237  21.6177     14.1727     6.09989     14.1727     
1 1 1 25 12 6  o 18.0471 5.47774 1.0806       0.901184  0.839099     0.947949  26.4907     318.18      12.9396     318.18      
1 1 1 25 12 7  o 14.5986 4.80406 -0.107037    0.811357  0.434167     0.943133  6.16128     335.159     24.1517     155.159     
1 1 1 25 12 8  o 14.2373 4.63507 -0.711014    0.811071  0.736987     0.837651  16.8256     268.08      2.50739     268.08      
1 1 1 25 12 9  o 20.1844 5.51088 0.509739     0.918146  2.04574      0.893977  29.2911     80.3118     9.80533     80.3118     
1 1 1 25 12 10 o 16.0201 5.03872 -1.18103     0.827344  1.7255       1.01377   21.1315     75.6041     7.26899     75.6041     
1 1 1 25 12 11 o 16.587  5.4376  2.03637      1.26883   -1.10901     1.01103   15.7769     111.628     8.70557     291.628     
1 1 1 25 12 12 o 12.8275 4.51053 0.416596     1.21205   -1.60611     0.794456  12.4295     326.91      3.0651      146.91      
1 1 1 25 12 13 o 14.6274 4.97463 0.943556     1.32489   -0.267774    0.733323  8.13095     319.723     5.18255     319.723     
1 1 1 25 12 14 o 12.4939 4.36817 -0.482522    1.25198   -0.626262    0.718394  11.7209     179.842     4.61309     179.842     
1 1 1 25 12 15 o 14.8921 4.86755 -0.48507     1.13916   0.770608     0.810779  18.143      106.274     3.59494     106.274     
1 1 1 25 12 16 o 14.6452 4.92745 0.995427     1.18687   -0.199833    0.767356  17.9158     107.949     7.76829     107.949     
1 1 1 25 12 17 o 19.2578 5.53929 1.68379      0.893606  1.14422      0.854544  29.4487     234.624     16.076      234.624     
1 1 1 25 12 18 o 20.4889 5.71189 2.11233      0.924015  1.28039      0.909739  26.1745     119.917     2.35558     119.917     
1 1 1 25 12 19 o 18.1697 5.41836 1.00004      0.874614  1.57229      0.890307  25.9233     302.291     14.8445     302.291     
1 1 1 25 12 20 o 12.616  4.26781 -0.0275086   0.784229  -0.130622    0.798045  2.17156     336.161     1.11572     336.161     
1 1 1 25 12 21 o 12.3947 4.20318 -0.216369    0.800731  -0.0184333   0.758036  9.37799     266.632     3.28835     266.632     
1 1 1 25 12 22 o 12.7112 4.29714 0.122864     0.809995  -0.150968    0.787208  11.4936     138.67      2.23363     138.67      
1 1 1 25 12 23 o 17.3823 4.78093 -0.958289    0.789175  2.21686      0.829934  23.5432     343.471     13.6768     343.471     
1 1 1 25 12 24 o 14.5787 4.75053 0.145433     0.861447  0.901619     0.835298  14.5311     203.557     3.07174     23.5566     
1 1 1 25 12 25 o 11.8493 4.09108 0.296853     0.833064  -1.19036     0.8384    10.0561     79.7025     2.28258     79.7026     
1 1 1 25 12 26 o 15.0288 4.85148 -0.30316     0.881022  1.56152      0.907373  15.9848     246.814     9.11753     246.814     
1 1 1 25 12 27 o 13.4952 4.46947 -0.685145    0.831166  1.06177      0.826001  10.3679     227.319     5.941       227.319     
1 1 1 25 12 28 o 15.3856 4.93884 0.428145     0.908878  1.29771      0.858604  18.3377     149.398     2.98361     149.398     
1 1 1 25 12 29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 13 0  o 11.4318 5.31054 0.262531     0.793391  0.262531     0.793391  12.1348     270         3.45916     270         
1 1 1 25 13 1  o 16.5048 4.93321 1.45241      0.840067  -0.389771    0.765345  21.6562     223.337     5.33911     223.337     
1 1 1 25 13 2  o 13.9157 4.52475 0.467888     0.763866  -0.280242    0.760937  14.5477     301.915     2.53625     121.915     
1 1 1 25 13 3  o 13.1715 4.35573 0.412021     0.758522  -0.780498    0.779519  13.8216     226.268     1.06153     46.2679     
1 1 1 25 13 4  o 15.2006 4.84811 -0.180618    0.775873  0.914274     0.870778  19.4606     203.16      8.12452     203.16      
1 1 1 25 13 5  o 14.5708 4.74548 -0.261788    0.814908  0.659844     0.864562  9.67657     76.3884     16.2186     256.388     
1 1 1 25 13 6  o 12.9989 4.37703 -0.374414    0.821997  -0.0312172   0.806718  10.7725     157.835     8.51317     337.835     
1 1 1 25 13 7  o 11.0958 3.8026  0.148816     0.70234   -1.9065      0.703399  9.99762     33.3391     0.578828    33.3391     
1 1 1 25 13 8  o 13.2401 4.37456 -0.79622     0.779091  0.504303     0.770499  10.5722     310.949     9.93368     130.949     
1 1 1 25 13 9  o 12.2656 4.11678 -1.15337     0.710354  0.39247      0.74765   12.6023     139.436     3.48704     139.436     
1 1 1 25 13 10 o 18.0029 5.21598 0.0105899    0.821641  1.86462      0.893607  26.4791     350.903     12.9835     350.903     
1 1 1 25 13 11 o 14.662  4.80198 0.408823     0.802751  0.210655     0.944434  15.6052     188.839     9.01106     188.839     
1 1 1 25 13 12 o 19.1294 5.85235 2.10668      1.10073   0.807944     1.12655   28.1181     285.868     13.4845     285.868     
1 1 1 25 13 13 o 16.9662 5.41493 -0.0368569   1.12237   1.63964      1.04176   23.4443     53.0373     11.2637     53.0373     
1 1 1 25 13 14 o 17.7639 5.42091 0.994231     0.932516  1.29542      0.899282  20.1919     189.066     14.5303     189.066     
1 1 1 25 13 15 o 11.916  4.08527 0.0960382    0.785176  -1.11205     0.815852  7.04325     128.758     13.4824     308.758     
1 1 1 25 13 16 o 13.9128 4.65094 0.347714     0.816178  0.0173577    0.980041  7.63087     102.526     4.62566     102.526     
1 1 1 25 13 17 o 20.2457 5.9703  1.20947      0.912755  2.69146      1.17222   29.9488     60.1843     14.6803     60.1843     
1 1 1 25 13 18 o 16.4294 5.26016 0.633187     0.90003   1.31623      1.02179   18.0823     68.2232     1.50398     248.223     
1 1 1 25 13 19 o 11.6244 4.03924 -0.527166    0.811121  -0.580828    0.878141  6.43184     325.747     1.9009      325.747     
1 1 1 25 13 20 o 12.3196 4.19543 -0.373283    0.806133  0.042644     0.78742   4.34633     79.0331     1.75661     79.0331     
1 1 1 25 13 21 o 11.7361 4.05735 -0.0311551   0.852985  -0.807019    0.76392   9.23553     13.124      4.58407     193.124     
1 1 1 25 13 22 o 17.9896 5.43064 1.1926       0.923092  1.55157      0.884981  24.473      130.608     11.8212     130.608     
1 1 1 25 13 23 o 13.6002 4.54817 -0.319046    0.914168  0.707629     0.838071  12.9716     56.9549     3.28292     236.955     
1 1 1 25 13 24 o 12.9431 4.41302 -0.0685141   0.885468  0.242923     0.884773  13.265      27.5311     1.90639     27.531      
1 1 1 25 13 25 o 13.0112 4.41299 0.25416      0.836092  0.11709      0.882635  13.7932     358.423     2.98466     358.423     
1 1 1 25 13 26 o 12.1369 4.14968 -0.0156532   0.791265  -0.123867    0.79976   10.3805     165.993     5.29061     345.993     
1 1 1 25 13 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 14 0  o 7.66186 3.84389 -0.570611    0.64333   -0.570611    0.64333   3.15923     90          4.3038      270         
1 1 1 25 14 1  f 11.1866 3.79769 -1.6113      0.681617  0.212969     0.664821  5.64309     53.4172     0           0           
1 1 1 25 14 2  o 15.7772 4.90691 0.752036     0.776514  0.480879     0.782218  20.5691     235.194     6.36768     235.194     
1 1 1 25 14 3  o 13.8865 4.47281 0.726722     0.752011  -0.49456     0.730696  16.4764     166.357     6.83436     166.357     
1 1 1 25 14 4  f 20.8737 5.34793 2.31676      0.861696  0.521026     0.838512  21.8346     151.207     0           0           
1 1 1 25 14 5  o 15.2079 4.8127  0.391609     0.748932  0.627313     0.809468  19.5092     330.888     6.46393     330.888     
1 1 1 25 14 6  o 16.5913 5.0991  1.00205      0.809353  0.577167     0.844516  19.3083     148.786     0.714464    328.786     
1 1 1 25 14 7  o 16.9958 5.10885 1.21834      0.794275  0.483426     0.83176   20.6207     357.481     0.924137    357.481     
1 1 1 25 14 8  o 17.3243 5.24694 0.532559     0.829863  1.39138      0.883161  23.614      71.5264     7.70701     71.5264     
1 1 1 25 14 9  o 14.0692 4.5613  -0.00496408  0.731854  0.562477     0.781695  16.9078     334.352     4.08065     334.352     
1 1 1 25 14 10 o 12.2335 4.09278 0.142178     0.690151  -0.432843    0.699534  10.6648     308.335     4.91026     308.335     
1 1 1 25 14 11 o 13.1516 4.32524 0.406766     0.713842  -0.279077    0.742089  14.9977     217.641     3.44386     217.641     
1 1 1 25 14 12 o 12.3957 4.21549 -0.363429    0.717792  -0.00350069  0.854066  11.5326     177.147     4.61739     177.147     
1 1 1 25 14 13 o 16.0287 5.20209 0.133956     1.13088   1.24567      0.95406   19.026      191.433     1.92822     191.433     
1 1 1 25 14 14 o 12.7437 4.35763 -0.42231     1.04805   -0.0309134   0.745542  12.2278     261.841     4.15869     261.841     
1 1 1 25 14 15 o 15.2986 4.87797 0.82454      0.79829   0.445053     0.857537  16.6686     250.09      1.01815     70.0901     
1 1 1 25 14 16 o 18.3876 5.48817 1.02172      0.849833  1.74369      0.95029   25.5153     324.559     11.7392     324.559     
1 1 1 25 14 17 o 14.1973 4.69452 -0.00240392  0.812046  0.761237     0.903979  14.5668     260.935     0.693485    80.9352     
1 1 1 25 14 18 o 13.1024 4.40425 0.116765     0.813059  0.0607829    0.816603  5.9671      320.776     2.8338      320.776     
1 1 1 25 14 19 o 11.239  3.88918 -0.670163    0.716922  -0.296223    0.788301  5.66501     243.638     1.33893     243.638     
1 1 1 25 14 20 o 11.9089 4.0941  -0.146444    0.77991   -0.458382    0.83137   10.0847     250.788     3.11247     70.7883     
1 1 1 25 14 21 o 14.4117 4.76732 1.02874      0.906044  -0.133364    0.915925  13.3259     204.681     7.11934     204.681     
1 1 1 25 14 22 o 15.4453 5.02032 1.81263      1.01818   -0.210486    0.868663  17.8403     105.488     2.39744     105.488     
1 1 1 25 14 23 o 14.1877 4.66734 -0.0936295   0.868459  1.0555       0.850372  15.5239     78.8732     7.49205     78.8732     
1 1 1 25 14 24 o 15.2557 4.90107 -0.215116    0.939397  1.55825      0.892554  16.925      54.4795     10.1688     54.4795     
1 1 1 25 14 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 14 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 15 0  f 16.7801 6.56432 1.23185      0.83502   1.23185      0.83502   14.7225     270         0           0           
1 1 1 25 15 1  o 14.378  4.65788 0.745474     0.789068  -0.235344    0.840001  11.4588     220.009     11.4505     40.0091     
1 1 1 25 15 2  o 17.6911 5.23127 0.69018      0.764657  1.43094      0.856042  25.6812     37.9238     15.2274     37.9238     
1 1 1 25 15 3  o 12.7473 4.16406 0.670027     0.698013  -1.07381     0.702148  12.6115     80.5166     6.02017     80.5166     
1 1 1 25 15 4  f 13.2149 4.17038 -1.59164     0.663415  1.03017      0.7017    5.73713     99.9155     0           0           
1 1 1 25 15 5  o 14.7658 4.52567 1.18262      0.729856  -0.660864    0.721811  17.9323     166.591     2.86585     166.591     
1 1 1 25 15 6  o 17.0649 4.92677 -0.184264    0.759732  1.72893      0.809913  22.9259     175.058     6.61065     175.058     
1 1 1 25 15 7  o 10.4154 3.59953 -0.182376    0.648416  -1.16006     0.648398  8.28208     12.6111     3.39744     192.611     
1 1 1 25 15 8  o 17.9445 5.24375 0.803992     0.801796  1.47462      0.816611  25.056      187.523     9.61037     187.523     
1 1 1 25 15 9  o 14.5568 4.68486 0.529136     0.791956  0.412756     0.759539  15.716      284.302     8.4633      284.302     
1 1 1 25 15 10 o 13.9904 4.53    -0.0359779   0.751058  0.664545     0.754049  15.7859     323.463     2.57825     323.463     
1 1 1 25 15 11 o 18.5466 5.20556 1.97022      0.840272  0.405215     0.799971  26.9939     156.661     15.7076     156.661     
1 1 1 25 15 12 o 12.6872 4.2801  0.0230899    0.730199  -0.140191    0.845226  11.1595     220.989     4.58127     40.9887     
1 1 1 25 15 13 o 12.4045 4.28669 -0.173671    0.950187  -0.520904    0.863669  8.60349     230.427     3.09204     230.427     
1 1 1 25 15 14 o 18.0552 5.59503 1.63622      1.05085   1.25081      0.949165  22.3257     243.382     4.09791     243.382     
1 1 1 25 15 15 o 13.0526 4.44784 0.746135     0.982011  -0.683749    0.725824  10.9791     45.3067     3.63726     45.3067     
1 1 1 25 15 16 o 13.761  4.43871 -0.534776    0.754004  0.905302     0.744791  13.0908     355.722     5.58857     355.722     
1 1 1 25 15 17 o 19.0855 5.48314 1.99782      0.898444  1.00969      0.84845   24.8546     135.485     5.99663     135.485     
1 1 1 25 15 18 o 12.5689 4.24859 0.425205     0.816488  -0.468146    0.740063  10.9114     0.386958    4.3879      180.387     
1 1 1 25 15 19 o 12.0667 4.12668 -0.113711    0.754937  -0.202208    0.822649  10.3522     146.574     2.8849      146.574     
1 1 1 25 15 20 o 10.3288 3.62553 -1.28739     0.689021  -0.226185    0.758176  7.68733     199.106     2.37325     19.1057     
1 1 1 25 15 21 o 14.5881 4.76366 -0.591544    0.842653  1.56978      0.929167  17.334      336.914     6.49198     336.914     
1 1 1 25 15 22 o 16.7008 5.28938 1.70986      0.945292  0.754552     1.02121   22.2084     210.215     11.1074     210.215     
1 1 1 25 15 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 15 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 16 0  o 8.98308 4.39201 -0.17689     0.69492   -0.17689     0.69492   0.0997257   89.9995     0.0104118   270         
1 1 1 25 16 1  o 13.4948 4.40282 0.563554     0.739767  -0.146185    0.713783  11.9371     48.0003     6.02754     48.0003     
1 1 1 25 16 2  o 16.953  5.00896 0.339655     0.764473  1.47624      0.789682  22.4644     190.704     7.51972     190.704     
1 1 1 25 16 3  f 17.1907 5.19255 0.961797     0.832986  1.12876      0.809869  10.1619     158.271     0           0           
1 1 1 25 16 4  o 11.4237 3.88029 -0.394673    0.654326  -0.152841    0.68166   9.0814      196.3       1.8457      196.3       
1 1 1 25 16 5  o 13.531  4.36332 0.609715     0.686524  -0.167069    0.710047  3.95661     221.478     2.31813     221.478     
1 1 1 25 16 6  o 17.6388 5.1927  0.888589     0.798597  1.33131      0.791704  21.5484     280.272     2.38539     280.272     
1 1 1 25 16 7  o 16.7441 4.97745 1.36655      0.767044  0.41281      0.770343  21.9235     343.517     11.4604     343.517     
1 1 1 25 16 8  o 13.7482 4.4298  0.806333     0.730142  -0.359337    0.73013   14.6657     114.426     1.96476     114.426     
1 1 1 25 16 9  o 11.6757 3.96461 -0.342397    0.669666  -0.0918016   0.719896  9.60514     114.512     2.79151     294.512     
1 1 1 25 16 10 o 13.0839 4.31268 0.628225     0.747175  -0.454686    0.721752  10.6138     206.745     7.0939      26.7446     
1 1 1 25 16 11 o 10.5008 3.63279 -0.207806    0.659751  -1.01972     0.671354  6.88456     126.792     4.05312     306.792     
1 1 1 25 16 12 o 13.8549 4.50484 0.705211     0.763447  -0.0818244   0.746696  14.5843     251.189     3.63721     251.189     
1 1 1 25 16 13 o 13.3599 4.47776 0.00538433   0.75934   0.338118     0.89084   13.3844     25.908      0.925668    25.908      
1 1 1 25 16 14 o 13.0303 4.45946 -0.28954     1.02616   0.116343     0.850025  12.1678     179.973     3.64937     179.973     
1 1 1 25 16 15 o 17.2554 5.12748 0.13037      1.0598    1.73322      0.802934  20.6508     111.276     13.3325     111.276     
1 1 1 25 16 16 o 16.7485 4.98128 0.0887477    0.782658  1.80039      0.830662  21.9947     237.746     11.9382     237.746     
1 1 1 25 16 17 o 12.0205 4.08391 -0.389862    0.707638  0.225464     0.769634  2.41505     318.472     1.17704     318.472     
1 1 1 25 16 18 o 17.337  5.31096 1.25746      0.883646  1.44665      0.879646  22.9933     206.058     8.64791     206.058     
1 1 1 25 16 19 o 11.1701 3.8456  -0.698409    0.695842  0.0261993    0.730193  7.52709     325.52      2.67187     325.52      
1 1 1 25 16 20 o 14.3719 4.65031 1.2046       0.829327  -0.168212    0.785941  17.2336     140.889     5.40089     140.889     
1 1 1 25 16 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 16 22 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 17 0  o 5.81405 3.00698 -1.14796     0.565021  -1.14796     0.565021  1.23884     90          6.6471      90          
1 1 1 25 17 1  o 14.7108 4.62077 1.16289      0.783172  -0.192148    0.685254  16.0282     263.303     1.5279      263.303     
1 1 1 25 17 2  o 14.8366 4.69218 0.0415337    0.770884  0.988911     0.764482  15.0411     355.93      2.25105     175.93      
1 1 1 25 17 3  o 13.1983 4.33205 0.344017     0.71983   0.0668464    0.702926  12.889      154.988     0.542688    154.989     
1 1 1 25 17 4  o 13.5683 4.43706 0.23086      0.71517   0.343004     0.753891  13.6736     81.3959     3.48534     81.3959     
1 1 1 25 17 5  o 13.5167 4.30102 -0.915719    0.662046  1.05568      0.728081  13.8136     57.2017     0.966357    57.2018     
1 1 1 25 17 6  o 13.7389 4.37839 -0.790577    0.685708  1.06751      0.745935  9.81806     94.507      5.07175     94.507      
1 1 1 25 17 7  o 15.4305 4.7307  1.38415      0.787354  -0.217727    0.72515   16.9766     11.7862     0.13441     11.7861     
1 1 1 25 17 8  o 13.4617 4.41341 0.0973554    0.7383    0.419775     0.735476  13.8591     193.758     2.388       193.758     
1 1 1 25 17 9  o 13.7748 4.48933 0.176447     0.734374  0.526991     0.755455  11.8997     247.432     6.60965     67.4323     
1 1 1 25 17 10 o 10.9547 3.7671  -0.157151    0.694715  -0.662559    0.662819  4.95846     81.7421     1.24031     81.7421     
1 1 1 25 17 11 o 12.188  4.10867 0.287913     0.739114  -0.433739    0.706386  10.8546     30.8098     2.55803     30.8098     
1 1 1 25 17 12 o 12.9694 4.29876 0.3588       0.732404  0.0241408    0.726933  11.4665     148.992     4.84649     328.992     
1 1 1 25 17 13 o 14.7206 4.70098 0.822323     0.780327  0.480906     0.748595  14.7894     169.13      3.15282     349.13      
1 1 1 25 17 14 f 13.9711 4.65347 0.0891387    0.775307  0.883029     0.945526  11.1883     341.166     0           0           
1 1 1 25 17 15 o 16.3807 5.23406 0.222074     1.04243   1.90044      0.989245  12.6443     141.006     8.78655     141.006     
1 1 1 25 17 16 o 21.6301 6.12291 3.11555      1.17682   1.91593      0.901261  26.5121     320.448     20.8723     320.448     
1 1 1 25 17 17 o 14.2784 4.62559 0.54839      0.760922  0.625487     0.784423  13.583      74.4341     8.19887     74.4341     
1 1 1 25 17 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 17 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 18 0  o 11.2797 5.18414 0.406128     0.727258  0.406128     0.727258  11.3461     90          1.78229     270         
1 1 1 25 18 1  o 12.8986 4.11208 -0.929126    0.663429  0.864077     0.646989  12.4795     151.659     4.44345     151.659     
1 1 1 25 18 2  o 12.0985 4.02751 -0.543346    0.640884  0.44342      0.682644  6.84013     335.133     2.88581     335.133     
1 1 1 25 18 3  o 12.8082 4.24403 -0.0430725   0.719462  0.323796     0.705325  9.9331      228.078     8.13253     48.0783     
1 1 1 25 18 4  o 13.5613 4.42925 0.592894     0.761266  0.0882526    0.697212  13.3331     245.114     5.74243     245.114     
1 1 1 25 18 5  o 12.7692 4.23295 0.0152754    0.693993  0.295921     0.718469  12.7817     354.73      2.03682     354.73      
1 1 1 25 18 6  o 11.0821 3.78423 -0.148089    0.664308  -0.405721    0.647599  3.58817     346.965     1.25745     346.965     
1 1 1 25 18 7  o 18.4828 5.34637 1.26592      0.820218  1.58059      0.816531  25.3212     300.994     9.92532     300.994     
1 1 1 25 18 8  o 14.1078 4.5527  0.592546     0.749897  0.44264      0.728507  15.9781     203.931     4.00726     203.931     
1 1 1 25 18 9  o 17.8791 5.37484 1.59739      0.825293  1.23656      0.980286  23.7641     302.337     14.8881     302.337     
1 1 1 25 18 10 o 8.08168 2.88889 -1.87922     0.52239   -0.587412    0.561469  3.22163     102.421     4.09989     282.421     
1 1 1 25 18 11 o 15.0522 4.43509 1.72706      0.74927   -1.10335     0.668304  18.0639     187.424     10.4848     187.424     
1 1 1 25 18 12 o 14.3812 4.60197 0.142604     0.769932  0.951506     0.747084  14.3567     248.157     3.32619     68.1566     
1 1 1 25 18 13 o 13.7161 4.44207 0.104933     0.711539  0.745345     0.730071  14.6739     330.222     7.54346     330.222     
1 1 1 25 18 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 18 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 18 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 19 0  o 17.3936 6.6646  1.45241      0.842072  1.45241      0.842072  27.2835     90          10.7489     90          
1 1 1 25 19 1  o 18.0833 5.27627 1.75797      0.833572  0.989482     0.804269  25.454      146.206     12.5754     146.206     
1 1 1 25 19 2  o 18.7236 5.38889 1.34872      0.805074  1.67984      0.841144  26.9095     4.22327     13.7767     4.22327     
1 1 1 25 19 3  o 13.7025 4.46726 0.593675     0.754274  0.267161     0.72037   9.40907     93.1788     5.66681     93.1788     
1 1 1 25 19 4  o 10.9523 3.75255 -0.471366    0.644126  -0.121164    0.671931  6.48312     62.4286     2.31688     62.4286     
1 1 1 25 19 5  o 11.7297 3.9542  -0.693576    0.67678   0.378478     0.685445  7.91986     140.697     9.85097     320.697     
1 1 1 25 19 6  o 12.6561 4.2161  -0.0546006   0.715352  0.352083     0.721225  6.42949     111.069     3.64663     111.069     
1 1 1 25 19 7  o 14.1196 4.42777 -0.41602     0.680894  1.18488      0.72116   12.6269     310.572     7.87564     310.572     
1 1 1 25 19 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 19 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 19 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 19 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 20 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 20 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 25 20 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 0  0  o 17.1278 7.37449 0.81468      1.22901   0.81468      1.22901   21.9937     4.98728e-05 12.2523     4.98728e-05 
1 1 1 26 0  1  o 16.4442 6.70606 1.00048      0.920542  1.00048      0.920542  16.9504     90          14.3293     270         
1 1 1 26 0  2  o 26.4676 7.30143 2.17775      0.955911  2.17775      0.955911  36.1296     360         5.44495     180         
1 1 1 26 0  3  o 7.72227 3.94762 -1.28063     0.824324  -1.28063     0.824324  12.1745     270         46.8552     270         
1 1 1 26 0  4  o 44.0028 5.13675 4.36517      1.07577   4.36517      1.07577   82.6537     1.04553e-06 36.2247     1.04553e-06 
1 1 1 26 0  5  o 9.71487 4.72542 -0.285757    0.779858  -0.285757    0.779858  6.32328     89.9999     2.23978     89.9999     
1 1 1 26 0  6  o 15.5264 6.53742 0.875392     0.923268  0.875392     0.923268  15.5638     4.06621e-07 14.2746     180         
1 1 1 26 0  7  o 17.4026 6.89909 1.16825      0.937112  1.16825      0.937112  18.5522     270         13.8047     90          
1 1 1 26 0  8  o 13.9557 6.09313 0.630711     0.866145  0.630711     0.866145  19.1878     7.15815e-08 1.74159     180         
1 1 1 26 0  9  o 13.2557 5.91267 0.510727     0.86188   0.510727     0.86188   13.0154     270         12.4295     90          
1 1 1 26 0  10 o 8.18282 4.13826 -0.914355    0.8037    -0.914355    0.8037    3.59011     180         0.266846    180         
1 1 1 26 0  11 o 10.755  5.12277 -0.00177658  0.820824  -0.00177658  0.820824  13.8286     90          0.893274    270         
1 1 1 26 0  12 o 11.881  5.52699 0.248265     0.86402   0.248265     0.86402   16.5868     5.36181e-09 8.39516     5.36181e-09 
1 1 1 26 0  13 o 19.6334 7.23225 1.55384      0.959226  1.55384      0.959226  37.7406     90          19.0918     90          
1 1 1 26 0  14 o 14.9392 6.3503  0.862917     0.887333  0.862917     0.887333  21.6085     360         0.476917    360         
1 1 1 26 0  15 o 8.48721 4.28671 -0.858218    0.851547  -0.858218    0.851547  5.37816     270         0.100171    270         
1 1 1 26 0  16 o 9.56647 4.70847 -0.343142    0.833747  -0.343142    0.833747  4.60213     180         1.45358     180         
1 1 1 26 0  17 f 13.495  6.08396 0.643213     0.941128  0.643213     0.941128  23.111      90          0           0           
1 1 1 26 0  18 o 14.7729 6.38707 0.9181       0.930414  0.9181       0.930414  24.5324     3.79022e-10 12.5544     3.79022e-10 
1 1 1 26 0  19 o 10.773  5.18071 0.0365108    0.880272  0.0365108    0.880272  11.5354     90          4.84179     270         
1 1 1 26 0  20 o 13.2623 5.97864 0.662036     0.908631  0.662036     0.908631  7.36227     360         4.73115     360         
1 1 1 26 0  21 o 13.8649 6.17997 0.812351     0.939711  0.812351     0.939711  21.303      270         10.8443     270         
1 1 1 26 0  22 o 9.38098 4.69425 -0.514036    0.938467  -0.514036    0.938467  6.3322      4.1155e-06  1.07178     4.1155e-06  
1 1 1 26 0  23 o 7.66054 3.92767 -1.16605     0.847522  -1.16605     0.847522  4.23425     270         3.11846     90          
1 1 1 26 0  24 o 8.47672 4.30142 -0.822004    0.899212  -0.822004    0.899212  3.44384     180         14.9646     360         
1 1 1 26 0  25 o 11.7316 5.52692 0.423009     0.909401  0.423009     0.909401  11.0499     270         9.67497     90          
1 1 1 26 0  26 o 10.4652 5.10505 0.0342603    0.925905  0.0342603    0.925905  8.32148     360         1.69923     360         
1 1 1 26 0  27 o 10.8098 5.1967  0.209355     0.88421   0.209355     0.88421   0.995227    89.9998     0.328816    89.9998     
1 1 1 26 0  28 o 6.32452 3.29787 -1.89475     0.794353  -1.89475     0.794353  0.0435764   3.4857e-05  1.07825     180         
1 1 1 26 0  29 o 9.24397 4.65105 -0.481345    0.966632  -0.481345    0.966632  6.64978     270         7.28924     90          
1 1 1 26 0  30 o 16.3263 7.15309 1.76667      1.20385   1.76667      1.20385   19.1651     180         6.49279     8.65087e-06 
1 1 1 26 0  31 o 10.8248 5.45918 -0.0881333   1.36115   -0.0881333   1.36115   10.9619     270         4.96158     90          
1 1 1 26 0  32 f 10.2342 5.1682  -0.290015    1.23568   -0.290015    1.23568   9.61706     180         0           0           
1 1 1 26 0  33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 1  0  o 15.0527 6.32784 0.78555      0.862439  0.78555      0.862439  26.3925     180         11.2006     180         
1 1 1 26 1  1  o 15.7118 4.87602 -0.824345    0.847155  0.923154     0.831905  18.6507     2.68059     3.89869     182.681     
1 1 1 26 1  2  o 14.1301 4.65097 -0.524002    0.839119  0.140853     0.835112  10.8771     96.8375     15.7785     276.838     
1 1 1 26 1  3  o 17.9675 5.37082 0.766993     0.871896  0.664798     0.849613  26.5562     246.92      6.54894     246.92      
1 1 1 26 1  4  o 13.6427 4.51537 -0.0302669   0.80816   -0.434044    0.792242  17.5855     227.526     2.19642     227.526     
1 1 1 26 1  5  o 18.1989 5.46259 0.562619     0.899295  0.943883     0.903803  22.297      134.849     4.14412     314.849     
1 1 1 26 1  6  o 18.8607 5.13636 -0.696889    0.842407  1.86971      0.890004  29.0512     137.446     22.2979     137.446     
1 1 1 26 1  7  f 14.2319 4.67078 0.187588     0.838132  -0.397941    0.825246  15.7942     11.2304     0           0           
1 1 1 26 1  8  o 12.8448 4.33281 -0.720224    0.815057  -0.213802    0.799796  10.8618     169.848     6.65779     169.848     
1 1 1 26 1  9  o 17.1351 5.12219 -0.467791    0.824532  1.38573      0.896253  7.90188     289.419     6.27351     289.419     
1 1 1 26 1  10 o 19.6603 5.44432 0.202583     0.848835  1.82838      0.912889  34.3923     65.712      24.2897     65.712      
1 1 1 26 1  11 o 15.0372 4.80518 -0.870645    0.813828  0.93005      0.884368  22.1489     210.787     12.6878     210.787     
1 1 1 26 1  12 o 21.4796 5.90278 1.62462      0.942166  1.39344      0.947592  29.1165     99.2838     0.0439912   99.283      
1 1 1 26 1  13 o 18.5176 5.3008  1.83049      0.917264  -0.357654    0.912972  24.5261     354.323     0.185085    174.323     
1 1 1 26 1  14 f 14.6805 4.81729 0.55341      0.914065  -0.446775    0.864545  24.606      181.586     0           0           
1 1 1 26 1  15 f 15.0078 4.85471 0.88362      0.909331  -0.628045    0.850442  27.3814     8.49963     0           0           
1 1 1 26 1  16 o 9.99087 3.53447 -1.72122     0.767559  -1.12751     0.764401  7.39521     261.93      1.98755     261.93      
1 1 1 26 1  17 o 15.2805 4.92436 0.253652     0.860956  0.524507     0.864517  13.2185     124.307     9.14833     124.307     
1 1 1 26 1  18 o 12.3904 4.23808 -0.275033    0.841127  -0.594327    0.821618  13.7584     148.813     0.461346    328.813     
1 1 1 26 1  19 o 13.1843 4.44636 0.0829338    0.843917  -0.409217    0.852802  13.5588     312.286     7.03624     312.286     
1 1 1 26 1  20 o 14.5202 4.74624 -0.576672    0.857151  0.909556     0.887432  16.8319     33.0075     1.87473     213.008     
1 1 1 26 1  21 o 10.6153 3.76198 -0.414741    0.878309  -2.18353     0.786834  9.73307     299.237     1.6631      299.237     
1 1 1 26 1  22 o 17.9735 5.61241 1.46179      1.06552   1.14204      0.983324  26.8569     348.705     17.3034     348.705     
1 1 1 26 1  23 o 14.1965 4.74185 0.813533     0.936737  -0.460152    0.938604  18.5353     100.83      8.75903     100.83      
1 1 1 26 1  24 o 11.8511 4.12925 -1.89209     0.813506  0.426251     0.92255   12.3611     133.509     4.08393     133.509     
1 1 1 26 1  25 o 14.903  4.86249 -0.0456529   0.895708  1.11911      0.903841  18.4213     1.94958     10.0817     1.94958     
1 1 1 26 1  26 o 13.7882 4.64469 0.0492135    0.900712  0.480003     0.931484  15.3661     174.837     0.504475    354.837     
1 1 1 26 1  27 o 12.5779 4.32027 -0.855326    0.893158  0.416496     0.899121  4.80035     176.216     2.36328     176.216     
1 1 1 26 1  28 o 9.60852 3.44229 -2.21372     0.860598  -1.28236     0.851482  6.11343     152.564     2.42149     332.564     
1 1 1 26 1  29 o 14.0628 4.75815 0.455019     0.998375  0.451146     0.969711  4.19476     99.0393     2.60452     99.0393     
1 1 1 26 1  30 f 13.1912 4.53717 1.12791      1.0093    -1.48909     1.03215   4.56303     6.18412     0           0           
1 1 1 26 1  31 f 12.6281 4.46184 -0.125536    1.07035   -0.498339    1.38195   10.7818     181.744     0           0           
1 1 1 26 1  32 o 13.4776 4.69231 -0.140929    1.1694    0.674524     1.15224   14.3433     236.852     7.61021     236.852     
1 1 1 26 1  33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 2  0  o 8.15108 4.11153 -0.87029     0.773454  -0.87029     0.773454  6.48923     360         3.83025     180         
1 1 1 26 2  1  o 23.2585 5.82141 2.08936      0.916565  1.02162      0.931875  33.4673     87.8936     2.95904     87.8936     
1 1 1 26 2  2  o 19.5892 5.5928  0.640673     0.893701  1.33369      0.89698   19.8334     56.875      14.1415     236.875     
1 1 1 26 2  3  o 17.1546 5.22405 0.178151     0.85497   0.889503     0.861827  25.3378     255.856     6.89722     255.856     
1 1 1 26 2  4  o 22.3572 5.53717 2.05095      0.860733  0.671769     0.876443  34.4239     336.016     28.8231     336.016     
1 1 1 26 2  5  f 14.2502 4.6937  0.0750629    0.843443  -0.349745    0.856163  14.7629     310.003     0           0           
1 1 1 26 2  6  o 25.3872 6.08665 2.11921      0.954414  1.83142      0.961616  35.3097     122.446     0.119197    122.446     
1 1 1 26 2  7  o 16.0725 5.06526 0.299788     0.836039  0.438428     0.872445  23.6145     158.386     7.38289     158.386     
1 1 1 26 2  8  o 20.5634 5.68538 0.785378     0.882505  1.65245      0.921329  32.9984     40.563      11.8612     40.563      
1 1 1 26 2  9  o 20.6445 5.0742  -0.768418    0.843931  2.46889      0.918125  29.7645     332.792     3.35136     332.792     
1 1 1 26 2  10 o 17.1751 5.27505 0.779962     0.885241  0.53914      0.862758  27.7331     170.701     16.5912     170.701     
1 1 1 26 2  11 o 13.7638 4.56752 -0.1597      0.827944  -0.0884743   0.823614  18.6701     128.257     4.60912     128.257     
1 1 1 26 2  12 o 17.2928 5.2228  1.40058      0.909627  -0.229665    0.880779  18.5969     194.487     9.13528     14.4874     
1 1 1 26 2  13 o 15.2383 4.91034 -0.214468    0.837064  0.690316     0.897181  21.0571     0.995711    4.46757     0.995711    
1 1 1 26 2  14 o 17.1248 5.25836 0.945955     0.881726  0.504316     0.86239   26.5896     112.765     11.5536     112.765     
1 1 1 26 2  15 o 11.4995 3.97761 -0.683279    0.772409  -0.873707    0.8111    13.0449     172.699     1.99259     172.699     
1 1 1 26 2  16 o 14.7923 4.72054 1.06097      0.856793  -1.04675     0.826352  20.4518     193.93      6.09963     193.93      
1 1 1 26 2  17 o 15.1162 4.92264 0.540251     0.892449  0.099261     0.89944   21.1888     123.662     8.92471     123.662     
1 1 1 26 2  18 f 11.896  4.09213 -0.0349103   0.804432  -1.41094     0.841297  11.5047     189.897     0           0           
1 1 1 26 2  19 o 15.6623 4.99374 1.01471      0.879276  -0.0391416   0.894895  22.2904     185.304     10.3888     185.304     
1 1 1 26 2  20 o 13.3766 4.5176  0.107785     0.900263  -0.264323    0.853746  16.2963     74.1978     6.81101     74.1978     
1 1 1 26 2  21 o 9.99144 3.55222 -1.74353     0.7767    -1.15038     0.840088  8.3881      238.139     3.99997     58.1387     
1 1 1 26 2  22 o 16.6396 5.16007 -0.146231    0.896433  1.68817      0.939897  24.9546     193.941     13.3543     193.941     
1 1 1 26 2  23 o 17.315  5.01052 2.41612      0.950136  -1.78163     0.947044  23.0252     248.626     2.18705     248.626     
1 1 1 26 2  24 o 13.4812 4.59652 -0.0939984   0.972114  0.175152     0.949707  16.5132     216.479     4.13796     216.479     
1 1 1 26 2  25 o 14.9529 4.84986 1.39436      0.915642  -0.571743    0.914915  19.2235     45.4167     9.71182     45.4167     
1 1 1 26 2  26 o 19.6689 5.40186 0.0801308    0.986984  2.78399      0.957731  31.6497     160.567     18.1295     160.567     
1 1 1 26 2  27 o 12.5103 4.32709 -0.230142    0.916576  -0.212393    0.954072  8.61901     217.383     3.65584     217.383     
1 1 1 26 2  28 o 17.584  5.20011 2.62646      0.992052  -0.924823    0.976508  24.4248     158.075     7.37566     158.075     
1 1 1 26 2  29 o 10.3326 3.66623 -0.733367    0.856732  -1.52811     0.83933   8.10889     291.17      0.477573    111.17      
1 1 1 26 2  30 o 13.0538 4.5106  0.498691     0.990313  -0.415581    1.05219   9.89701     199.376     5.31999     199.376     
1 1 1 26 2  31 o 10.5154 3.75629 -1.24766     0.92873   -1.34989     1.03558   9.30629     257.643     0.822074    257.643     
1 1 1 26 2  32 o 16.3219 5.42637 1.6434       1.16132   1.53366      1.19018   22.1062     250.02      12.9338     250.02      
1 1 1 26 2  33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 3  0  o 37.9886 6.26028 3.58094      1.07183   3.58094      1.07183   63.7274     180         16.1565     180         
1 1 1 26 3  1  o 13.4278 4.43505 -0.895664    0.763068  0.255386     0.800293  15.7362     343.878     2.05393     163.878     
1 1 1 26 3  2  o 14.032  4.58938 0.350325     0.816044  -0.732336    0.801441  14.9049     79.9032     6.41093     259.903     
1 1 1 26 3  3  o 17.6664 5.3174  0.849281     0.874417  0.508442     0.837292  28.8611     62.3958     15.4391     62.3958     
1 1 1 26 3  4  o 12.739  4.29428 -0.375797    0.773271  -0.540205    0.800294  16.1257     183.435     7.01759     183.435     
1 1 1 26 3  5  o 12.365  4.20761 -1.14779     0.775051  -0.1673      0.819291  10.4071     226.725     6.02256     226.725     
1 1 1 26 3  6  o 20.0646 5.57083 1.5006       0.868535  0.705867     0.880076  35.4344     36.3499     24.4641     36.3499     
1 1 1 26 3  7  o 20.1129 5.61656 0.576128     0.906738  1.64998      0.908836  20.7514     69.2319     13.7438     249.232     
1 1 1 26 3  8  o 19.4429 5.32944 1.82931      0.882933  -0.0595857   0.87065   34.1979     28.8546     23.6999     28.8546     
1 1 1 26 3  9  o 19.5537 5.27333 -0.246859    0.857458  1.99718      0.897185  31.0046     313.419     10.5551     313.419     
1 1 1 26 3  10 o 14.7467 4.80065 -0.060125    0.811865  0.306003     0.879647  16.9336     161.833     4.20458     341.833     
1 1 1 26 3  11 o 10.896  3.8105  -1.10275     0.788829  -1.13954     0.798761  12.2608     202.676     0.767826    202.676     
1 1 1 26 3  12 o 12.5078 4.25005 -0.523912    0.803991  -0.40083     0.803968  15.5243     193.545     2.03528     193.545     
1 1 1 26 3  13 o 10.3424 3.6518  -0.66303     0.789815  -2.37366     0.787535  10.2665     357.194     2.02865     177.194     
1 1 1 26 3  14 o 19.8562 5.7254  0.934374     0.93865   1.63847      0.952644  31.0161     179.008     10.9513     179.008     
1 1 1 26 3  15 o 18.3267 5.48469 1.07688      0.896791  0.974832     0.902978  29.545      9.19637     15.1204     9.19637     
1 1 1 26 3  16 o 13.0237 4.4017  -0.270691    0.84718   -0.244591    0.826981  12.76       158.033     6.68266     338.033     
1 1 1 26 3  17 o 12.9168 4.39233 -0.168533    0.853555  -0.470131    0.874931  12.4989     210.993     6.59456     30.9927     
1 1 1 26 3  18 o 12.6166 4.33182 -0.486697    0.868963  -0.421964    0.910311  10.6006     213.535     9.8208      33.5348     
1 1 1 26 3  19 o 13.116  4.46815 -0.599495    0.904292  0.0540261    0.906654  15.5656     246.24      1.83319     246.24      
1 1 1 26 3  20 o 12.6202 4.31921 -1.51669     0.845969  0.470719     0.903439  13.3187     345.386     2.89378     165.386     
1 1 1 26 3  21 o 14.2085 4.72285 0.32156      0.878649  0.157024     0.901842  18.5524     44.0052     5.31582     44.0052     
1 1 1 26 3  22 o 16.0216 5.06417 1.59946      0.944721  -0.444103    0.926066  20.2616     299.829     0.846307    299.829     
1 1 1 26 3  23 o 22.926  5.68991 0.746695     1.04846   3.39854      1.0158    40.1047     277.583     22.3577     277.583     
1 1 1 26 3  24 o 12.5538 4.35605 0.0180327    0.988678  -0.761689    0.946428  6.90127     152.458     3.79217     152.458     
1 1 1 26 3  25 o 14.1804 4.77366 0.312335     0.913649  0.412307     1.01454   15.3665     307.626     8.06198     307.626     
1 1 1 26 3  26 o 14.8292 4.86374 1.5281       0.971629  -0.730905    0.91812   18.242      322.479     8.17102     322.479     
1 1 1 26 3  27 f 11.1273 3.90077 -1.48271     0.841649  -0.124473    0.850296  12.1043     305.567     0           0           
1 1 1 26 3  28 o 11.4047 3.99029 -1.22046     0.853474  -0.100868    0.881846  10.4074     341.91      0.47487     341.91      
1 1 1 26 3  29 o 11.9005 4.16821 -0.691365    0.945371  -0.265525    0.976146  9.55151     327.728     3.6443      327.728     
1 1 1 26 3  30 o 11.488  4.05174 -0.71871     0.949036  -0.573287    0.998294  2.18594     2.71563     1.05151     2.71563     
1 1 1 26 3  31 o 13.3777 4.54616 0.364352     0.935066  0.38987      0.906172  15.9509     223.929     6.37406     223.929     
1 1 1 26 3  32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 3  33 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 4  0  o 11.4648 5.34303 0.149826     0.813125  0.149826     0.813125  12.6149     180         6.52651     180         
1 1 1 26 4  1  o 15.8905 4.9212  0.913915     0.822733  -0.516423    0.842626  21.8999     45.222      3.28988     45.222      
1 1 1 26 4  2  o 15.014  4.80888 0.0948143    0.814673  0.227072     0.7984    11.4243     120.881     17.4237     300.881     
1 1 1 26 4  3  o 17.1231 5.22745 0.363307     0.878739  0.792407     0.835198  20.7627     14.7849     3.87487     194.785     
1 1 1 26 4  4  o 16.2316 5.11201 0.401568     0.870494  0.397973     0.866995  17.416      116.864     8.25276     296.864     
1 1 1 26 4  5  f 13.5067 4.44442 -0.890849    0.78502   0.327908     0.781879  9.52158     258.083     0           0           
1 1 1 26 4  6  o 11.8628 4.06906 0.094151     0.821067  -1.97685     0.736823  13.9735     321.891     5.68836     321.891     
1 1 1 26 4  7  o 12.7028 4.30899 -0.234025    0.840729  -0.769027    0.794128  16.3694     316.431     6.91599     316.431     
1 1 1 26 4  8  o 13.7852 4.58501 -0.181361    0.858042  -0.139837    0.822737  13.5564     265.319     8.86485     265.319     
1 1 1 26 4  9  f 15.8416 4.96569 -0.118643    0.819069  0.840863     0.846775  3.30363     112.062     0           0           
1 1 1 26 4  10 o 16.2735 5.03402 1.1455       0.873396  -0.440551    0.866761  24.8955     214.439     9.88611     214.439     
1 1 1 26 4  11 o 14.6016 4.75543 0.642909     0.874015  -0.601242    0.839412  17.0851     26.5795     3.12471     206.58      
1 1 1 26 4  12 o 18.8243 5.54949 0.599903     0.919128  1.45401      0.92791   28.519      182.148     8.60711     182.148     
1 1 1 26 4  13 o 14.0111 4.62792 -0.398739    0.842538  0.317132     0.83993   12.8986     328.068     8.43744     328.068     
1 1 1 26 4  14 o 14.1877 4.65654 0.650078     0.865917  -0.753158    0.831378  10.2501     264.371     16.6484     84.3714     
1 1 1 26 4  15 o 17.7234 5.26678 1.44748      0.868075  0.230463     0.871219  28.3534     349.158     15.904      349.158     
1 1 1 26 4  16 o 18.7158 5.47892 0.682102     0.885905  1.56715      0.901375  22.1634     256.883     16.993      256.883     
1 1 1 26 4  17 o 12.8701 4.38101 -1.28325     0.851534  0.353362     0.89657   10.8687     135.416     5.86631     135.416     
1 1 1 26 4  18 o 17.014  5.21004 1.60622      0.928458  -0.154833    0.906459  24.3369     276.432     7.18317     276.432     
1 1 1 26 4  19 o 15.8559 5.09071 0.8423       0.908028  0.42755      0.921729  19.5157     119.032     0.316057    299.032     
1 1 1 26 4  20 o 12.7017 4.33138 -0.316772    0.874273  -0.189506    0.832779  12.6915     247.161     4.99174     67.1607     
1 1 1 26 4  21 f 13.439  4.51217 -0.670364    0.885637  0.53391      0.860713  5.43105     296.361     0           0           
1 1 1 26 4  22 o 11.5223 4.01308 -0.400617    0.876033  -0.907469    0.809612  8.63257     263.523     10.5801     83.5228     
1 1 1 26 4  23 o 13.3594 4.52266 -0.956377    0.872549  0.792116     0.935039  15.9992     31.3044     2.17148     31.3045     
1 1 1 26 4  24 o 14.1361 4.76546 0.515378     0.953663  0.111801     0.991735  17.6245     286.57      6.54595     286.57      
1 1 1 26 4  25 o 13.5767 4.6324  0.264835     0.944718  -0.0375204   1.02253   15.4098     252.49      5.70913     252.49      
1 1 1 26 4  26 o 14.8775 4.89161 0.266417     0.948445  0.979325     0.906037  18.4515     141.844     5.7547      141.844     
1 1 1 26 4  27 o 10.5652 3.72021 -0.365306    0.802741  -1.56325     0.805776  8.33582     277.006     3.00404     97.006      
1 1 1 26 4  28 o 13.0921 4.45231 0.212242     0.880455  0.0594915    0.893601  13.1424     254.039     5.53724     254.039     
1 1 1 26 4  29 o 11.9078 4.17551 -0.795579    0.900035  -0.0747748   1.02077   12.0691     294.321     1.15998     294.321     
1 1 1 26 4  30 o 10.4003 3.70973 -0.833563    0.859587  -1.97651     1.06635   8.71542     282.033     0.883723    282.033     
1 1 1 26 4  31 o 12.323  4.29507 -1.11228     0.929755  0.626005     0.997793  13.6688     221.81      4.34802     221.81      
1 1 1 26 4  32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 5  0  f 14.442  6.20477 0.724189     0.866021  0.724189     0.866021  1.9695      180         0           0           
1 1 1 26 5  1  o 18.3752 5.08024 -0.440041    0.835476  1.65719      0.830563  31.5758     336.949     21.2464     336.949     
1 1 1 26 5  2  o 19.6917 5.48342 1.81021      0.924606  0.17658      0.872251  28.0765     157.973     3.53814     157.973     
1 1 1 26 5  3  o 15.6268 4.94294 0.248232     0.814812  0.400024     0.829014  20.6899     241.627     1.4689      241.627     
1 1 1 26 5  4  o 11.7539 4.03122 -0.80945     0.722254  -0.555846    0.799371  13.3764     328.864     5.83131     328.864     
1 1 1 26 5  5  o 18.8628 5.39898 0.247938     0.870818  1.53776      0.881193  31.8634     225.853     16.7893     225.853     
1 1 1 26 5  6  o 14.9389 4.81881 0.360346     0.835761  -0.0125649   0.824142  14.2346     221.519     10.0835     221.519     
1 1 1 26 5  7  o 13.4401 4.47158 -0.262292    0.775532  -0.0902036   0.823052  14.8492     244.551     4.36314     64.5508     
1 1 1 26 5  8  o 13.7995 4.51853 -1.07442     0.799542  0.583804     0.818514  19.2606     299.251     9.95594     299.251     
1 1 1 26 5  9  o 12.2368 4.18507 -1.25238     0.798085  -0.0949448   0.831428  11.8969     181.186     6.692       181.186     
1 1 1 26 5  10 o 14.9236 4.83374 0.500369     0.846294  -0.170573    0.866102  15.9439     332.814     6.82599     152.814     
1 1 1 26 5  11 o 16.0994 5.08969 0.716435     0.885329  0.250444     0.863434  22.1858     183.41      3.95341     183.41      
1 1 1 26 5  12 o 22.3983 5.91592 1.35197      0.947133  2.07276      0.942144  39.2299     79.4601     20.9878     79.4601     
1 1 1 26 5  13 o 18.1733 5.41611 0.539455     0.881732  1.37147      0.902394  29.4441     23.4317     18.1989     23.4317     
1 1 1 26 5  14 o 14.4257 4.72656 -0.108957    0.824968  0.414643     0.860785  19.7502     88.3778     8.43122     88.3778     
1 1 1 26 5  15 o 13.7679 4.6028  0.124423     0.854162  -0.230647    0.887062  12.5073     89.1619     9.76454     269.162     
1 1 1 26 5  16 o 11.9691 4.13234 -0.491282    0.816082  -0.786713    0.873054  10.8358     66.2802     4.69837     66.2802     
1 1 1 26 5  17 o 14.4278 4.78175 0.022297     0.887332  0.361022     0.913745  18.3132     110.009     3.05363     110.009     
1 1 1 26 5  18 o 13.36   4.49342 0.617115     0.882879  -1.23286     0.89279   11.773      2.18074     9.72916     182.181     
1 1 1 26 5  19 o 13.7811 4.56875 0.780923     0.871314  -0.787856    0.826417  16.3074     19.9147     8.59085     19.9147     
1 1 1 26 5  20 o 13.8366 4.59388 -0.696799    0.853429  0.773826     0.874557  17.5888     12.4311     3.95446     12.4311     
1 1 1 26 5  21 o 18.5668 5.34575 2.32039      0.954466  -0.0222376   0.901599  16.3649     181.086     13.0069     181.086     
1 1 1 26 5  22 o 12.4032 4.27099 0.0318003    0.87822   -0.770659    0.900076  6.19718     59.2839     18.8703     239.284     
1 1 1 26 5  23 o 13.2578 4.49871 -0.318894    0.865628  0.409865     0.919653  15.8426     349.171     4.07056     349.171     
1 1 1 26 5  24 o 13.109  4.46144 0.730835     0.945349  -0.822567    0.827101  11.7858     291.397     5.86055     291.397     
1 1 1 26 5  25 o 11.1186 3.9143  -0.506569    0.858785  -1.39355     0.948796  6.16787     51.2303     1.86567     51.2303     
1 1 1 26 5  26 o 15.6203 5.09958 -0.353162    0.892783  1.93027      1.07615   19.8699     199.994     5.77858     199.994     
1 1 1 26 5  27 o 15.6151 5.08851 1.84167      1.04128   -0.322175    0.948145  13.3135     15.0261     8.58137     15.0261     
1 1 1 26 5  28 o 15.8537 5.13239 1.91334      1.00953   -0.241507    1.05171   15.9086     35.8973     10.3198     35.8973     
1 1 1 26 5  29 o 12.836  4.42398 -1.35804     0.880899  1.1145       0.9946    12.5299     99.6927     5.75144     99.6928     
1 1 1 26 5  30 o 12.699  4.3646  0.403362     0.951595  -0.168706    0.854432  14.5172     358.656     3.74234     358.656     
1 1 1 26 5  31 o 12.5875 4.32061 -0.951671    0.884885  0.79988      0.905632  14.6993     173.521     4.06066     173.521     
1 1 1 26 5  32 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 6  0  o 19.2921 6.92899 1.40594      0.866284  1.40594      0.866284  40.6067     360         28.4342     360         
1 1 1 26 6  1  o 15.0257 4.84667 0.361743     0.865933  0.0322057    0.806637  13.6413     302.758     12.5293     122.758     
1 1 1 26 6  2  f 18.367  5.36488 1.22937      0.851458  0.538274     0.843764  25.8215     17.7073     0           0           
1 1 1 26 6  3  o 20.0183 5.60747 1.41956      0.877387  0.973582     0.866327  35.4871     320.342     23.4413     320.342     
1 1 1 26 6  4  o 12.1775 4.14556 -0.477007    0.764835  -0.589875    0.782179  15.4137     298.919     3.98416     298.919     
1 1 1 26 6  5  o 18.108  5.41944 -0.202622    0.841968  1.76666      1.02541   24.7112     90.8555     1.81469     90.8555     
1 1 1 26 6  6  o 14.1307 4.70141 -0.430352    0.802235  0.268991     0.950789  10.3344     73.6481     16.7308     253.648     
1 1 1 26 6  7  o 18.6662 5.51074 1.48657      0.888554  0.233632     1.06277   28.2316     242.676     8.2815      242.676     
1 1 1 26 6  8  o 17.7958 5.20241 1.5805       0.870694  -0.438883    0.94242   19.3333     50.1315     15.1511     50.1315     
1 1 1 26 6  9  o 17.0031 5.32915 0.507201     0.858981  0.862697     1.00146   16.5113     243.193     12.23       63.1932     
1 1 1 26 6  10 o 22.0841 5.82769 2.21325      0.947184  1.01728      0.951644  32.6089     239.476     6.16516     239.476     
1 1 1 26 6  11 o 15.7368 4.84465 -0.795404    0.807778  1.26454      0.846734  21.212      341.304     2.99389     341.304     
1 1 1 26 6  12 o 12.5904 4.28612 -0.481241    0.841802  -0.358983    0.812287  13.1536     274.704     4.09867     94.704      
1 1 1 26 6  13 o 11.7185 4.03404 -1.8272      0.776519  0.109614     0.810605  12.4077     169.56      4.34724     169.56      
1 1 1 26 6  14 o 13.7703 4.5879  0.53357      0.885884  -0.738533    0.839939  17.0912     116.715     2.31224     116.715     
1 1 1 26 6  15 o 18.7895 5.48386 0.188902     0.890707  2.04871      0.983306  24.9338     254.774     1.37547     254.774     
1 1 1 26 6  16 o 14.4038 4.77241 0.172527     0.86325   0.222076     0.926951  13.1303     354.887     10.1912     174.887     
1 1 1 26 6  17 o 12.9608 4.4145  -0.388153    0.867363  -0.105899    0.890631  12.0046     115.215     7.66715     295.215     
1 1 1 26 6  18 o 14.9332 4.85943 -0.440875    0.866263  1.08584      0.924868  12.7276     108.42      12.8284     288.42      
1 1 1 26 6  19 o 14.7155 4.79068 1.29337      0.92714   -1.16188     0.913046  19.6521     45.7773     5.57424     45.7773     
1 1 1 26 6  20 o 20.685  5.96493 2.02147      1.01555   1.76826      1.00566   33.8492     107.38      24.0782     107.38      
1 1 1 26 6  21 o 15.1366 4.98861 -0.375552    0.865507  1.4331       1.05236   19.9614     54.9412     4.61665     54.9412     
1 1 1 26 6  22 o 9.24125 3.31089 -1.52522     0.762345  -2.12311     0.84665   1.52278     108.781     0.234069    108.781     
1 1 1 26 6  23 o 14.9916 4.9208  0.978608     0.962861  0.286169     0.867489  5.86102     356.329     3.95844     356.329     
1 1 1 26 6  24 o 10.3876 3.66248 -0.576743    0.770899  -1.55127     0.833484  4.2106      335.117     0.964697    335.117     
1 1 1 26 6  25 o 14.9812 4.95669 0.533565     1.00452   0.829085     0.929668  12.6913     170.409     7.51061     170.409     
1 1 1 26 6  26 o 11.4656 4.01235 -1.04498     0.875358  -0.270427    0.89035   10.4658     156.439     0.248632    336.439     
1 1 1 26 6  27 o 17.2796 5.52363 1.63408      1.03056   1.39475      1.0966    22.8101     171.15      5.11027     171.15      
1 1 1 26 6  28 o 11.583  4.06599 -0.201911    0.906339  -1.05469     0.985477  10.5575     110.15      2.98669     110.15      
1 1 1 26 6  29 o 10.6515 3.76721 -1.36787     0.854002  -0.395655    0.869048  9.10846     180.724     3.99918     0.723555    
1 1 1 26 6  30 o 12.9634 4.42665 0.776424     0.926452  -0.46224     0.870518  13.9436     313.972     6.87125     313.972     
1 1 1 26 6  31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 7  0  o 14.2152 6.38917 0.698039     1.02857   0.698039     1.02857   11.7215     180         8.38284     180         
1 1 1 26 7  1  o 14.9226 4.91523 -0.447776    0.840198  0.620348     1.00472   8.62738     163.94      22.766      343.94      
1 1 1 26 7  2  o 25.6322 6.38122 2.57056      1.0244    2.06703      1.13544   41.5477     124.896     13.7404     124.896     
1 1 1 26 7  3  o 14.1281 4.71737 -0.0269987   0.871471  -0.226367    0.944169  19.1442     119.021     10.376      119.021     
1 1 1 26 7  4  o 16.9942 5.25695 1.2556       0.916286  -0.313253    0.998169  26.6277     158.136     12.3217     158.136     
1 1 1 26 7  5  o 14.0463 4.68978 -0.748632    0.815326  0.457002     0.96334   15.1785     24.8889     9.65883     24.8889     
1 1 1 26 7  6  o 13.0948 4.44897 -0.47441     0.824751  -0.335537    0.928906  17.0933     179.455     6.31785     179.455     
1 1 1 26 7  7  o 19.1439 5.60974 -0.0176425   0.951001  2.04182      1.04011   28.3186     31.7974     7.10218     31.7974     
1 1 1 26 7  8  f 17.0316 5.21489 -0.811949    0.864922  1.75612      1.01075   13.2758     341.231     0           0           
1 1 1 26 7  9  o 11.2429 3.93075 -1.15638     0.765678  -0.859768    0.892276  11.3668     26.7768     2.9034      206.777     
1 1 1 26 7  10 f 15.9855 5.17513 -0.376753    0.88205   1.21583      1.06558   21.6566     1.57352     0           0           
1 1 1 26 7  11 o 17.4029 5.4875  0.578306     0.959477  1.15387      1.05009   22.651      5.58803     1.00662     5.58804     
1 1 1 26 7  12 f 10.0146 3.56838 -1.53666     0.749814  -1.89782     0.942195  13.7892     162.912     0           0           
1 1 1 26 7  13 o 13.1722 4.49272 -0.376009    0.84435   -0.207452    0.982758  15.8683     22.9764     5.8118      22.9764     
1 1 1 26 7  14 o 10.9429 3.85918 -1.13167     0.765151  -1.24598     0.975756  10.6609     21.792      0.369339    201.792     
1 1 1 26 7  15 o 16.6201 5.37146 1.04738      0.986381  0.428728     1.13527   23.4998     296.042     7.73476     296.042     
1 1 1 26 7  16 o 14.9507 4.98022 0.221702     0.923104  0.48159      1.06711   19.6222     350.555     4.65744     350.555     
1 1 1 26 7  17 o 15.0854 4.77718 1.52314      0.902286  -1.67812     0.90449   16.7217     109.016     4.34789     289.016     
1 1 1 26 7  18 o 11.395  3.98031 -1.39106     0.830613  -0.287708    0.868084  10.713      313.803     3.90824     313.803     
1 1 1 26 7  19 o 13.5754 4.54702 -0.719828    0.83544   0.738125     0.898214  16.4795     314.849     1.67583     314.849     
1 1 1 26 7  20 o 14.1308 4.68431 0.293552     0.883207  0.347198     0.846843  17.4477     190.424     9.24351     190.424     
1 1 1 26 7  21 o 15.3535 4.97453 0.333453     0.901582  1.03992      0.907552  20.9872     80.5658     8.91752     80.5658     
1 1 1 26 7  22 o 11.0583 3.84703 0.11366      0.76655   -2.06248     0.840089  10.3133     124.492     0.48328     124.492     
1 1 1 26 7  23 o 15.5622 5.02858 1.43821      0.953828  0.0285006    0.917835  18.9776     135.874     1.56806     135.874     
1 1 1 26 7  24 o 13.8898 4.61334 -0.351531    0.867705  0.903766     0.870226  15.9693     160.144     3.064       160.144     
1 1 1 26 7  25 o 13.292  4.49469 0.670002     0.90164   -0.484939    0.86315   7.33128     289.187     3.96829     289.187     
1 1 1 26 7  26 o 11.2842 3.97348 -0.49835     0.872395  -1.19204     0.99523   9.51512     146.897     1.86377     146.897     
1 1 1 26 7  27 o 12.5721 4.35073 -0.0869607   0.940527  -0.107827    0.958372  2.60956     266.117     1.44034     266.117     
1 1 1 26 7  28 o 12.1313 4.19429 0.740548     0.898129  -1.42062     0.857436  12.3216     278.706     4.29358     278.706     
1 1 1 26 7  29 f 15.0967 4.87878 -0.951089    0.962937  1.97682      0.956692  8.70328     235.158     0           0           
1 1 1 26 7  30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 7  31 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 8  0  o 17.137  7.39649 1.36724      1.24298   1.36724      1.24298   29.7207     180         11.323      180         
1 1 1 26 8  1  o 16.5291 5.44754 0.903776     1.16458   -0.115269    1.14185   24.4622     229.946     14.1258     229.946     
1 1 1 26 8  2  o 15.9065 5.26477 0.669901     1.14086   -0.0979591   1.02261   23.4049     304.373     11.3094     304.373     
1 1 1 26 8  3  o 13.1563 4.55888 -0.43525     1.14331   -0.938339    0.912756  15.2858     344.428     0.90514     164.428     
1 1 1 26 8  4  o 12.7156 4.35934 -0.640189    0.834502  -0.451054    0.941596  15.8315     342.12      5.5052      342.12      
1 1 1 26 8  5  o 18.4658 5.58042 0.290676     0.934359  1.68536      1.02788   29.7702     293.83      15.2541     293.83      
1 1 1 26 8  6  o 13.7738 4.5546  -0.765439    0.830673  0.472057     0.836402  18.329      93.5056     7.96587     93.5056     
1 1 1 26 8  7  o 12.1558 4.14722 -0.708374    0.80363   -0.298513    0.771702  14.2384     198.244     2.03238     198.244     
1 1 1 26 8  8  o 13.588  4.53915 0.147248     0.867352  -0.339642    0.811193  15.8295     311.267     8.52635     311.267     
1 1 1 26 8  9  o 11.5135 3.99371 -0.820777    0.820669  -0.772987    0.808197  11.9703     338.202     1.57321     158.202     
1 1 1 26 8  10 o 14.491  4.79213 0.546695     0.863712  -0.549565    1.01239   14.5495     197.206     9.09521     197.206     
1 1 1 26 8  11 o 13.6603 4.6397  -0.535492    0.847582  0.239269     1.03      17.0806     286.192     6.23371     286.192     
1 1 1 26 8  12 o 15.9917 5.31715 0.543948     1.02376   0.471635     1.25078   21.3873     270.225     4.83413     270.225     
1 1 1 26 8  13 o 11.1215 3.90865 -0.600268    0.830816  -2.02469     0.96915   11.1333     217.096     0.803843    217.095     
1 1 1 26 8  14 o 15.9353 5.12187 -0.58192     0.880739  1.58367      1.03985   20.1026     64.321      12.7565     64.321      
1 1 1 26 8  15 o 16.6824 5.14757 -1.61795     0.881384  2.32307      1.06733   23.4706     173.375     6.49111     173.375     
1 1 1 26 8  16 o 14.2735 4.68982 0.811684     0.832274  -0.757901    0.981972  18.9164     63.0726     6.65403     63.0726     
1 1 1 26 8  17 o 17.7943 5.4418  0.0553444    0.914888  2.14578      1.04533   23.9103     133.846     3.18559     133.846     
1 1 1 26 8  18 o 15.9219 5.1379  0.425462     0.906899  1.12828      0.980416  22.3595     187.383     7.75557     187.383     
1 1 1 26 8  19 o 13.9088 4.61592 0.918393     0.860609  -1.04674     0.980769  16.6318     63.0665     0.848984    63.0665     
1 1 1 26 8  20 o 12.8898 4.37132 -0.158564    0.805046  0.138755     0.872027  14.9282     84.2949     2.80956     84.2949     
1 1 1 26 8  21 o 13.4529 4.5205  0.258826     0.85646   0.0856385    0.858174  14.9098     93.8151     6.5091      93.8151     
1 1 1 26 8  22 o 13.9773 4.65148 0.621117     0.904022  0.115676     0.825145  16.4907     182.197     5.89552     182.197     
1 1 1 26 8  23 o 15.2858 4.94163 0.295141     0.927149  1.13321      0.874667  19.1399     10.3324     8.21747     10.3324     
1 1 1 26 8  24 o 13.2663 4.4532  -1.05775     0.83468   0.974463     0.880247  10.4694     332.2       5.26683     332.2       
1 1 1 26 8  25 o 10.6995 3.774   -0.627284    0.798476  -1.31647     0.91758   8.24674     151.552     0.890549    151.552     
1 1 1 26 8  26 o 11.8642 4.16838 -0.104902    0.954861  -1.22211     1.06168   6.26159     196.858     2.87735     196.858     
1 1 1 26 8  27 o 15.7452 5.06198 -0.0630114   0.998931  1.8922       0.96018   13.8673     356.833     9.50397     356.833     
1 1 1 26 8  28 o 15.2542 4.89965 -0.728278    0.940537  1.9612       0.944954  17.5791     165.148     11.2073     165.148     
1 1 1 26 8  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 8  30 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 9  0  o 11.5455 5.66646 -0.164525    1.18515   -0.164525    1.18515   10.8187     360         10.4728     180         
1 1 1 26 9  1  o 14.5942 4.94416 0.535477     1.17889   -0.572526    0.895941  19.563      290.813     9.1487      290.813     
1 1 1 26 9  2  o 13.0057 4.51389 -0.379704    1.17724   -0.810656    0.832412  15.3946     41.53       1.12334     41.53       
1 1 1 26 9  3  o 18.9057 5.69377 -0.248987    1.245     2.00838      1.04007   26.3262     104.737     4.10581     104.737     
1 1 1 26 9  4  o 16.6678 5.42585 1.3266       1.14882   -0.190313    1.04775   21.685      70.7638     1.74973     70.7638     
1 1 1 26 9  5  o 12.8198 4.45931 -0.274395    1.04538   -1.46765     1.02989   14.6531     196.138     0.0496438   196.138     
1 1 1 26 9  6  o 15.0997 4.94565 0.758354     0.938225  -0.33603     0.943521  20.9136     54.9499     8.24018     54.9499     
1 1 1 26 9  7  o 12.2392 4.19445 -0.598738    0.809836  -0.389851    0.837831  12.9062     357.803     5.20684     357.803     
1 1 1 26 9  8  f 11.6492 4.02738 -0.567467    0.803143  -0.802091    0.813314  16.8443     223.57      0           0           
1 1 1 26 9  9  o 14.4403 4.71149 0.744577     0.851211  -0.506519    0.854659  15.8349     118.225     3.95148     298.225     
1 1 1 26 9  10 f 17.1753 5.35011 1.30066      0.96791   0.47474      0.904947  10.0239     132.398     0           0           
1 1 1 26 9  11 o 15.9272 5.08294 1.1085       0.948003  0.0927962    0.852167  22.7776     315.091     11.1062     315.091     
1 1 1 26 9  12 o 13.5124 4.45894 -1.27322     0.775898  0.889314     0.847775  16.2244     253.9       7.80565     253.9       
1 1 1 26 9  13 o 17.1334 5.17965 1.84519      0.935919  -0.377058    0.896914  22.536      307.926     2.05607     307.926     
1 1 1 26 9  14 o 8.51274 3.05291 -1.64663     0.679021  -2.02263     0.704807  3.32792     112.611     0.247581    292.611     
1 1 1 26 9  15 o 12.3702 4.20734 -0.958196    0.795516  0.268423     0.811329  14.4289     194.185     3.98652     194.185     
1 1 1 26 9  16 o 17.6529 5.36808 1.98497      0.987223  0.183898     0.896917  27.2626     80.5078     16.2197     80.5078     
1 1 1 26 9  17 f 14.0408 4.7245  0.875279     0.981105  -0.68613     0.934554  6.82584     197.028     0           0           
1 1 1 26 9  18 o 16.1972 5.24048 1.01005      0.955802  0.859074     1.02789   19.9321     83.0136     0.331314    83.0135     
1 1 1 26 9  19 o 10.705  3.77962 -0.611876    0.804774  -1.83172     0.958363  9.16182     254.169     3.93719     74.1692     
1 1 1 26 9  20 o 14.7661 4.92125 0.0271871    0.902983  1.06193      1.03916   10.7768     48.6096     6.76437     48.6096     
1 1 1 26 9  21 o 14.8558 4.93726 0.199657     0.91345   1.03482      1.02197   18.4053     303.936     6.01248     303.936     
1 1 1 26 9  22 o 12.5963 4.29512 -0.131126    0.802245  0.0267338    0.870371  9.86728     17.1613     4.04349     17.1613     
1 1 1 26 9  23 o 10.9601 3.86819 -1.16451     0.758767  -0.449354    0.950497  9.191       292.35      0.355094    112.35      
1 1 1 26 9  24 o 12.5201 4.31455 -1.08758     0.827463  0.685972     0.946704  2.28656     195.131     1.21369     195.131     
1 1 1 26 9  25 o 15.2755 5.05332 1.15084      1.01014   0.689736     0.987612  7.26746     97.5182     4.93548     97.5182     
1 1 1 26 9  26 o 13.5802 4.62153 -0.0664554   0.977129  0.78072      0.958621  14.9477     220.847     7.22374     220.847     
1 1 1 26 9  27 o 16.5589 5.23225 0.428003     0.921166  2.0993       0.991782  17.4855     325.776     12.3586     325.776     
1 1 1 26 9  28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 9  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 10 0  o 21.727  7.99694 2.17918      1.17211   2.17918      1.17211   27.7558     360         6.64566     180         
1 1 1 26 10 1  o 16.0621 5.1471  1.0338       0.927544  -0.0484557   0.996459  18.5259     122.757     3.47226     302.757     
1 1 1 26 10 2  o 14.2208 4.9131  1.07608      1.29277   -1.35239     0.858888  17.6267     70.802      7.95215     70.802      
1 1 1 26 10 3  o 14.2246 4.86412 -1.1899      1.44595   0.207937     0.926206  16.7047     206.227     0.258799    26.2272     
1 1 1 26 10 4  o 16.9377 5.46831 -0.768605    1.43264   1.4704       1.04291   22.6788     207.816     14.4067     207.816     
1 1 1 26 10 5  o 15.8686 5.26413 -0.346325    1.14973   1.05224      1.10544   11.5383     142.963     18.2376     322.963     
1 1 1 26 10 6  o 20.2143 5.61054 -0.0545009   1.15492   2.45089      0.977928  32.2591     146.62      13.9507     146.62      
1 1 1 26 10 7  o 13.5338 4.53522 -0.631937    0.845269  0.420935     0.876974  16.5596     201.152     2.80936     201.152     
1 1 1 26 10 8  o 12.6403 4.27148 -0.487289    0.792705  0.0134407    0.789791  11.1185     158.499     8.605       338.499     
1 1 1 26 10 9  o 13.3138 4.39685 -0.826853    0.726963  0.690915     0.811957  16.6212     313.678     5.47318     313.678     
1 1 1 26 10 10 o 14.5758 4.74727 0.320886     0.837516  0.390077     0.82145   19.6064     153.656     7.61662     153.656     
1 1 1 26 10 11 o 13.9898 4.5432  -0.982126    0.781466  0.995368     0.829447  18.1062     49.8571     4.81213     49.8571     
1 1 1 26 10 12 o 12.7437 4.30361 0.447632     0.822729  -1.04969     0.815968  14.3339     180.182     6.38565     180.182     
1 1 1 26 10 13 o 13.2388 4.44707 0.246891     0.823209  -0.290133    0.845096  13.6998     296.617     7.51038     296.617     
1 1 1 26 10 14 o 14.1193 4.60252 -0.926565    0.836737  1.05665      0.846273  18.7622     269.279     7.14146     269.279     
1 1 1 26 10 15 o 19.8785 5.66466 1.41536      0.88898   1.8162       0.913906  32.9896     204.195     20.0993     204.195     
1 1 1 26 10 16 o 16.1121 5.10107 0.312496     0.866311  1.3662       0.922794  21.1127     245.713     3.51155     245.713     
1 1 1 26 10 17 o 14.4287 4.76946 0.359461     0.853639  0.548297     0.915504  16.4805     210.613     9.06108     210.613     
1 1 1 26 10 18 o 15.4438 5.01594 0.549746     0.939074  0.922993     0.906009  19.2829     10.2675     10.5848     10.2675     
1 1 1 26 10 19 o 14.6647 4.83535 0.598673     0.908157  0.509629     0.893604  17.3448     260.567     8.30673     260.567     
1 1 1 26 10 20 o 13.3326 4.50208 0.0605382    0.881202  0.263538     0.86414   10.8899     196.547     5.26569     196.547     
1 1 1 26 10 21 o 17.1928 5.45531 1.07534      0.954211  1.60122      1.06099   11.5463     230.081     8.18722     230.081     
1 1 1 26 10 22 o 12.6664 4.37817 -0.422776    0.872991  0.133412     1.00996   11.9816     149.961     4.38457     149.961     
1 1 1 26 10 23 o 14.1828 4.80744 0.387148     0.91974   0.607093     1.10899   11.5223     335.93      6.70225     335.93      
1 1 1 26 10 24 o 10.4441 3.72866 -1.40248     0.826435  -1.06565     1.03064   5.414       229.92      12.9176     49.9202     
1 1 1 26 10 25 o 13.3666 4.51999 1.02714      0.921958  -0.524993    0.871033  15.7792     314.825     3.6917      314.825     
1 1 1 26 10 26 o 12.4135 4.31544 -0.0990527   0.926401  -0.144485    1.01091   8.43329     171.482     4.63139     171.482     
1 1 1 26 10 27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 10 28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 11 0  o 9.70953 4.71351 -0.123015    0.767114  -0.123015    0.767114  9.72522     360         1.77987     180         
1 1 1 26 11 1  o 16.4998 4.96892 1.46541      0.832805  -0.270901    0.820436  20.7009     174.342     14.2748     174.342     
1 1 1 26 11 2  o 13.3921 4.4716  -0.00264948  0.813487  -0.00419177  0.813081  16.6568     11.6198     5.32583     11.6198     
1 1 1 26 11 3  o 17.0905 5.34197 0.447882     0.867846  1.40752      1.00249   25.5709     98.6545     13.7713     98.6545     
1 1 1 26 11 4  o 14.8842 4.86508 0.768399     0.873359  -0.19375     0.951425  20.109      19.6444     7.13274     19.6444     
1 1 1 26 11 5  f 19.5789 5.91849 2.08251      1.1364    1.1514       1.00165   20.43       242.252     0           0           
1 1 1 26 11 6  o 16.8592 5.4289  0.614912     1.1767    1.13331      0.975371  24.6024     124.214     10.7928     124.214     
1 1 1 26 11 7  o 11.495  4.01753 -1.10991     1.02454   -0.630063    0.741251  5.79319     296.293     2.83389     296.293     
1 1 1 26 11 8  o 14.3063 4.67382 -0.143101    0.811212  0.678157     0.836322  18.0195     7.63928     2.64055     7.63927     
1 1 1 26 11 9  o 15.7163 5.0719  -0.177129    0.880426  1.35043      0.994128  19.158      303.006     0.353229    123.006     
1 1 1 26 11 10 o 9.92692 3.51472 -1.38559     0.718216  -1.0681      0.793724  4.323       83.3964     1.37625     83.3964     
1 1 1 26 11 11 o 16.7785 5.27422 0.381452     1.16919   1.29183      0.854156  24.6303     279.331     14.4666     279.331     
1 1 1 26 11 12 o 16.8435 5.35198 2.46181      1.1719    -0.55749     0.828893  18.8564     191.784     4.95692     11.7842     
1 1 1 26 11 13 o 13.6252 4.58737 -0.803893    1.05745   0.577104     0.848853  17.0609     335.69      5.61229     335.69      
1 1 1 26 11 14 o 10.8053 3.77415 -0.884505    0.75696   -0.600224    0.780402  7.02787     168.69      2.50265     168.69      
1 1 1 26 11 15 o 14.041  4.64469 0.0781742    0.811417  0.62197      0.87286   17.3809     239.993     6.9853      239.993     
1 1 1 26 11 16 o 15.9669 5.06646 0.818432     0.867454  0.929648     0.874032  21.7758     86.0859     10.453      86.0859     
1 1 1 26 11 17 o 13.6071 4.5628  0.303611     0.863222  0.158123     0.865665  13.7862     190.675     3.84139     10.6749     
1 1 1 26 11 18 o 12.843  4.34548 0.0327272    0.831609  0.0504715    0.809969  13.2281     29.1651     3.69595     29.1651     
1 1 1 26 11 19 o 11.935  4.10713 0.163084     0.827828  -0.840724    0.799321  11.3245     264.747     0.749654    264.747     
1 1 1 26 11 20 o 11.1947 3.89721 -0.0763449   0.795674  -1.24665     0.812074  5.62757     69.6524     1.86843     69.6524     
1 1 1 26 11 21 o 13.1484 4.47104 0.234855     0.891036  0.0282535    0.897048  6.77261     76.6644     3.75346     76.6644     
1 1 1 26 11 22 o 13.7158 4.64836 0.184057     0.968918  0.512796     0.932959  6.46583     48.6969     3.9225      48.6969     
1 1 1 26 11 23 o 11.7493 4.10674 -0.750428    0.910201  -0.100075    0.922188  7.37677     98.9542     3.37694     98.9542     
1 1 1 26 11 24 o 9.60981 3.43544 -1.7113      0.790635  -1.07396     0.843348  3.89319     8.28149     0.888837    8.28148     
1 1 1 26 11 25 o 13.7745 4.66073 0.789569     0.949393  0.12814      0.948105  17.1078     259.69      6.83885     259.69      
1 1 1 26 11 26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 12 0  o 11.7443 5.45896 0.375936     0.840277  0.375936     0.840277  10.5731     180         5.44561     180         
1 1 1 26 12 1  o 13.8996 4.52175 0.84033      0.801049  -0.625647    0.768386  14.0225     154.972     8.53526     154.972     
1 1 1 26 12 2  o 10.6266 3.70981 -1.04701     0.683152  -0.531365    0.772534  7.7015      225.532     2.68767     225.532     
1 1 1 26 12 3  o 13.1049 4.3259  0.654798     0.763464  -0.925167    0.768987  16.2112     24.7317     4.31452     24.7317     
1 1 1 26 12 4  o 12.3971 4.21262 -0.655412    0.756247  0.149549     0.819574  14.2273     30.3076     4.93446     30.3076     
1 1 1 26 12 5  o 15.1974 4.84284 1.06863      0.820937  -0.290901    0.914589  18.1144     140.332     11.5866     140.332     
1 1 1 26 12 6  o 16.5947 5.283   0.197081     1.05669   1.41854      0.960277  24.3006     240.532     11.2004     240.532     
1 1 1 26 12 7  o 16.0483 5.23542 0.525414     1.05238   1.01738      0.996612  22.1468     180.854     6.79632     180.854     
1 1 1 26 12 8  o 14.8325 4.88853 0.354769     1.03511   0.535685     0.830626  14.4076     69.7786     8.34711     249.779     
1 1 1 26 12 9  o 13.2558 4.40619 0.719523     0.822283  -0.738806    0.764445  16.1908     55.4847     6.8494      55.4847     
1 1 1 26 12 10 o 11.6659 4.00263 -0.616762    0.739434  -0.129781    0.771431  6.91094     346.317     3.42658     346.317     
1 1 1 26 12 11 o 10.9699 3.80016 -1.17204     0.680224  -0.0114529   0.754032  10.4466     240.919     1.44476     240.919     
1 1 1 26 12 12 o 8.9238  3.1799  -1.18881     0.679529  -1.60885     0.676594  4.41085     283.004     9.66679     103.004     
1 1 1 26 12 13 o 16.0993 5.13524 0.104176     0.841416  1.64736      1.00038   8.06425     136.152     5.72896     136.152     
1 1 1 26 12 14 o 12.1    4.13381 0.331451     0.770355  -1.38875     0.90632   11.9775     12.9721     1.63518     192.972     
1 1 1 26 12 15 o 12.4302 4.27236 -0.433909    0.777292  0.0968473    0.938662  7.49537     347.237     3.45694     347.237     
1 1 1 26 12 16 o 12.6775 4.29229 0.266218     0.791442  -0.344989    0.834582  10.1108     328.836     4.23288     328.836     
1 1 1 26 12 17 o 16.9318 5.23726 0.4869       0.867288  1.73687      0.93407   21.6544     12.513      3.48286     12.513      
1 1 1 26 12 18 o 11.6919 4.04248 -0.488978    0.801992  -0.275666    0.824673  6.88567     265.219     2.63007     265.219     
1 1 1 26 12 19 o 10.4744 3.70043 -0.961047    0.769618  -0.981525    0.879918  7.07784     156.615     0.954605    156.615     
1 1 1 26 12 20 o 15.1674 4.97534 -0.0958186   0.916412  1.58056      0.998479  13.4632     308.272     8.56817     308.272     
1 1 1 26 12 21 o 12.5849 4.32921 0.520088     0.906058  -0.750395    0.916864  5.86062     26.1397     3.22107     26.1397     
1 1 1 26 12 22 o 13.7122 4.60845 0.942769     0.912556  -0.112641    0.889632  16.2972     90.5003     2.97532     90.5003     
1 1 1 26 12 23 o 10.9107 3.8257  -0.627843    0.836835  -0.594139    0.802781  4.51322     333.687     2.06381     333.687     
1 1 1 26 12 24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 12 25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 13 0  o 6.03061 3.13333 -1.51754     0.665962  -1.51754     0.665962  0.0847192   180         0.461758    360         
1 1 1 26 13 1  f 12.3297 4.16432 0.147124     0.770742  -0.426246    0.720679  11.6039     163.496     0           0           
1 1 1 26 13 2  o 14.8037 4.76608 0.10951      0.810732  0.860175     0.822935  19.1358     129.112     10.6278     129.112     
1 1 1 26 13 3  o 12.6379 4.25979 -0.251001    0.741611  0.132346     0.800006  10.1421     101.309     10.5427     281.309     
1 1 1 26 13 4  o 11.051  3.81838 0.303462     0.752506  -1.71909     0.659913  10.2085     103.99      3.69551     283.99      
1 1 1 26 13 5  o 13.1761 4.4108  0.483077     0.815033  -0.439145    0.811368  11.216      265.919     9.73986     85.9189     
1 1 1 26 13 6  f 15.1759 4.90758 0.669736     0.814522  0.598858     0.923864  8.28598     148.988     0           0           
1 1 1 26 13 7  f 17.2444 5.49123 2.29514      1.14909   0.0153474    0.998991  17.8634     277.027     0           0           
1 1 1 26 13 8  o 16.1209 5.18952 -0.235386    1.04003   1.6815       1.00617   9.59706     248.823     6.8049      248.823     
1 1 1 26 13 9  o 13.898  4.60591 -0.871317    1.03984   0.818317     0.813041  15.7953     309.769     0.109949    129.769     
1 1 1 26 13 10 o 12.3663 4.21687 -0.47025     0.834746  0.0742084    0.794726  13.0116     267.134     0.741444    267.134     
1 1 1 26 13 11 o 9.57549 3.38102 -1.27        0.68317   -0.831962    0.688308  1.36072     5.64381     19.4358     185.644     
1 1 1 26 13 12 o 11.6007 3.98805 -0.895738    0.72265   0.143208     0.787895  10.0072     234.933     2.22419     234.933     
1 1 1 26 13 13 o 22.8847 5.92627 1.82161      0.928414  2.75534      0.958804  38.5246     74.325      27.3784     74.325      
1 1 1 26 13 14 o 13.1014 4.4008  0.335223     0.815194  -0.0947532   0.810995  12.2495     212.262     5.02314     212.262     
1 1 1 26 13 15 f 13.2354 4.41144 -0.377281    0.785794  0.641064     0.809817  11.2892     75.0068     0           0           
1 1 1 26 13 16 o 12.7937 4.33897 0.459546     0.856531  -0.460998    0.802643  12.1159     3.15782     4.83716     3.15782     
1 1 1 26 13 17 o 11.7865 4.05839 0.311046     0.808215  -1.12447     0.805493  8.87524     228.67      3.36092     228.67      
1 1 1 26 13 18 o 12.0097 4.15466 -0.414991    0.886062  -0.12404     0.845778  12.222      26.163      1.36227     26.1631     
1 1 1 26 13 19 o 11.4738 4.00013 -1.05147     0.79039   0.154368     0.875811  8.73903     221.288     3.33134     221.288     
1 1 1 26 13 20 o 12.249  4.21066 -0.22547     0.869709  0.0985344    0.832188  9.01273     29.9622     4.5683      29.9622     
1 1 1 26 13 21 o 16.5866 5.27744 0.915659     0.863295  1.78228      1.0314    23.2676     43.2434     9.68822     43.2434     
1 1 1 26 13 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 13 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 14 0  o 9.83166 4.67624 0.0958004    0.679366  0.0958004    0.679366  8.90807     180         0.969322    8.84664e-06 
1 1 1 26 14 1  o 13.702  4.50572 0.224496     0.752531  0.370652     0.794318  11.7197     251.389     6.63022     251.389     
1 1 1 26 14 2  o 13.3928 4.45683 -0.0293939   0.790705  0.385542     0.804978  14.8156     205.065     0.180572    25.0654     
1 1 1 26 14 3  o 14.8883 4.75867 0.00630465   0.77025   1.086        0.833318  18.8207     330.007     4.45897     330.007     
1 1 1 26 14 4  o 14.724  4.68319 0.977787     0.77517   0.0292641    0.771957  17.8279     195.348     1.99051     195.348     
1 1 1 26 14 5  o 17.262  5.1059  1.78733      0.849407  0.23841      0.807246  24.8039     19.1686     14.444      19.1686     
1 1 1 26 14 6  o 13.6613 4.49329 0.559724     0.769596  -0.0166244   0.790655  15.4472     347.91      1.01443     347.91      
1 1 1 26 14 7  o 13.9126 4.62162 0.549674     0.815562  0.0290675    0.913078  16.1635     266.56      3.05203     266.56      
1 1 1 26 14 8  o 11.2082 3.93655 -1.19998     0.972221  -0.564533    0.816859  7.47018     173.654     1.82775     173.654     
1 1 1 26 14 9  o 13.9696 4.80985 1.01315      1.22206   -0.479015    0.918922  15.7091     225.081     3.73667     225.081     
1 1 1 26 14 10 o 11.2928 4.02689 -0.55926     1.21946   -1.11892     0.721537  7.8931      296.155     1.5259      296.155     
1 1 1 26 14 11 o 10.2235 3.59237 -0.998135    0.771659  -0.775358    0.707331  2.22213     113.186     0.400991    113.186     
1 1 1 26 14 12 o 12.7484 4.29687 -0.33103     0.815346  0.327051     0.778247  12.059      126.692     4.58392     126.692     
1 1 1 26 14 13 o 20.9214 5.40041 0.131345     0.948421  3.23124      0.982733  34.6532     273.391     22.2462     273.391     
1 1 1 26 14 14 o 15.0215 4.888   1.7149       0.974693  -0.729579    0.890863  15.0319     283.23      5.88541     103.23      
1 1 1 26 14 15 o 11.2672 3.92195 -1.43619     0.759033  0.245745     0.824594  5.37193     12.0388     2.1449      12.0388     
1 1 1 26 14 16 o 14.3859 4.76485 0.491622     0.895649  0.738413     0.889635  17.8088     281.343     6.95565     281.343     
1 1 1 26 14 17 o 12.0467 4.13227 0.158765     0.788812  -0.418791    0.837105  11.4221     87.0252     4.43542     87.0252     
1 1 1 26 14 18 o 12.5345 4.26842 0.309095     0.839615  -0.145313    0.800293  13.5928     306.523     5.1327      306.523     
1 1 1 26 14 19 o 14.8845 4.91134 0.943782     0.887914  0.690279     0.997371  18.8859     102.2       10.1978     102.2       
1 1 1 26 14 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 14 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 15 0  o 10.2708 4.88566 0.160747     0.741985  0.160747     0.741985  3.71234     180         0.689096    180         
1 1 1 26 15 1  o 11.7416 3.97823 -1.02334     0.685289  0.414983     0.726265  10.8529     40.2421     0.16957     40.2422     
1 1 1 26 15 2  o 15.842  4.95846 0.759551     0.836459  0.936065     0.781996  15.1348     37.5267     9.61878     37.5267     
1 1 1 26 15 3  o 13.3149 4.34278 0.937894     0.762759  -0.775975    0.715374  14.032      173.951     0.900775    353.951     
1 1 1 26 15 4  o 9.80136 3.43987 -0.510085    0.649483  -1.34926     0.704269  5.60691     76.01       0.803797    256.01      
1 1 1 26 15 5  o 11.092  3.82288 -0.740996    0.727911  -0.178083    0.704583  7.31115     243.426     1.70781     243.426     
1 1 1 26 15 6  o 17.4083 5.03425 -0.275492    0.885768  2.03213      0.846799  23.5488     145.836     6.02023     145.836     
1 1 1 26 15 7  o 16.6245 5.04417 0.175254     0.900814  1.59402      0.820411  22.7293     321.909     12.1336     321.909     
1 1 1 26 15 8  o 10.6423 3.72243 -0.934977    0.675433  -0.385015    0.801709  6.95238     97.0391     1.1426      97.0391     
1 1 1 26 15 9  o 14.9316 4.89962 1.09091      0.884142  0.0231825    1.0315    17.2335     306.275     8.99096     306.275     
1 1 1 26 15 10 o 13.044  4.55265 -0.664608    1.19511   0.117456     1.0626    5.51023     197.104     2.98844     197.104     
1 1 1 26 15 11 o 14.8533 5.07107 1.06306      1.35864   0.458344     0.989917  18.1995     57.6908     5.20137     57.6908     
1 1 1 26 15 12 o 17.4154 5.40657 0.0435967    0.929172  2.61507      1.08208   22.7098     207.087     14.8249     207.087     
1 1 1 26 15 13 o 13.6145 4.53895 1.53516      0.93162   -1.65656     0.833557  15.8368     12.1757     6.47431     12.1757     
1 1 1 26 15 14 o 13.205  4.47344 0.0272797    0.853597  0.500543     0.89573   12.1182     80.5229     6.56035     260.523     
1 1 1 26 15 15 o 10.2351 3.61652 -0.535475    0.781097  -1.38558     0.806356  8.77418     12.0307     0.321058    192.031     
1 1 1 26 15 16 o 10.4788 3.69625 -0.22505     0.807834  -1.59005     0.795828  9.46212     35.9989     1.4613      215.999     
1 1 1 26 15 17 o 11.461  4.02097 -1.00154     0.766493  0.128823     0.96016   10.9234     90.3488     4.02471     90.3488     
1 1 1 26 15 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 15 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 16 0  o 12.0654 5.50956 0.569965     0.803613  0.569965     0.803613  13.3809     4.86947e-06 5.13789     4.86947e-06 
1 1 1 26 16 1  f 10.7469 3.73142 -0.581538    0.738102  -0.485323    0.695605  8.10655     184.823     0           0           
1 1 1 26 16 2  o 15.6423 4.93461 0.317475     0.846214  1.31037      0.837864  12.0199     334.536     8.13177     334.536     
1 1 1 26 16 3  o 13.0251 4.36199 0.329426     0.802391  0.0382445    0.766049  11.0278     348.368     5.51186     348.368     
1 1 1 26 16 4  o 19.2581 5.73523 1.84006      0.972732  1.81329      0.97861   28.3365     296.429     11.8361     296.429     
1 1 1 26 16 5  o 12.8096 4.32338 0.167748     0.801494  0.053213     0.802153  3.53428     313.457     1.99911     313.457     
1 1 1 26 16 6  o 12.0056 4.1345  -0.559776    0.798755  0.111335     0.849412  12.0941     343.058     2.36237     343.058     
1 1 1 26 16 7  o 12.9606 4.36694 -0.437877    0.766337  0.707385     0.854116  9.22133     350.343     4.99962     350.343     
1 1 1 26 16 8  o 10.3524 3.62121 -1.44322     0.682628  -0.028961    0.725794  8.63538     159.12      0.483848    339.12      
1 1 1 26 16 9  o 13.4876 4.60911 -0.114613    0.762751  0.929025     1.11656   14.7272     285.294     6.69083     285.294     
1 1 1 26 16 10 o 15.3563 5.16219 2.33126      1.20776   -0.727157    1.07897   19.7878     236.34      9.28211     236.34      
1 1 1 26 16 11 o 14.6504 4.99922 0.966026     1.12402   0.550058     1.1651    16.9779     337.517     9.1716      337.517     
1 1 1 26 16 12 o 12.3722 4.34027 1.09473      1.09003   -1.36879     0.746952  13.4862     134.452     3.62964     134.452     
1 1 1 26 16 13 o 16.0956 5.01962 0.181493     0.82716   1.81503      0.897726  22.7077     60.2589     10.8436     60.2589     
1 1 1 26 16 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 16 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 16 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 17 0  o 15.4033 6.5315  1.30148      0.934134  1.30148      0.934134  20.442      1.77222e-05 13.767      1.77222e-05 
1 1 1 26 17 1  o 11.2291 3.88839 -0.46073     0.765199  -0.25999     0.759389  10.8121     228.467     1.91823     228.467     
1 1 1 26 17 2  o 11.2921 3.90597 -0.248631    0.772527  -0.412719    0.751329  10.9003     114.346     2.28368     114.346     
1 1 1 26 17 3  o 12.5809 4.22798 0.266377     0.724015  0.0144416    0.785241  5.33116     53.4259     3.11334     53.4259     
1 1 1 26 17 4  o 11.2684 3.86428 -0.289924    0.682643  -0.155207    0.721025  10.2159     348.259     3.31728     348.259     
1 1 1 26 17 5  o 12.7815 4.28673 0.204646     0.759274  0.203811     0.767398  13.4578     24.798      6.2674      24.798      
1 1 1 26 17 6  o 12.175  4.04047 -1.02437     0.695103  0.745007     0.691025  12.6029     166.686     1.42427     346.686     
1 1 1 26 17 7  o 13.1562 4.39487 -0.160711    0.765667  0.693219     0.816696  10.8103     199.405     9.7001      19.4048     
1 1 1 26 17 8  o 14.0515 4.58649 0.262117     0.773762  0.829479     0.796245  17.3069     140.731     8.88719     140.731     
1 1 1 26 17 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 17 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 17 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 17 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 26 18 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 0  1  o 47.8757 5.2825  5.42369      1.21582   5.42369      1.21582   87.9227     270         30.5499     270         
1 1 1 27 0  2  o 18.9713 7.19813 1.53546      0.973245  1.53546      0.973245  27.4354     1.7793e-09  2.6467      180         
1 1 1 27 0  3  o 21.2816 7.39997 1.81904      0.972667  1.81904      0.972667  30.1272     90          4.29037     270         
1 1 1 27 0  4  o 8.19987 4.14489 -0.830421    0.802413  -0.830421    0.802413  5.63348     0           0.0229483   0           
1 1 1 27 0  5  o 11.5197 5.41616 0.219883     0.86591   0.219883     0.86591   14.7196     90          3.91177     270         
1 1 1 27 0  6  o 8.31851 4.21345 -0.89437     0.846466  -0.89437     0.846466  7.15695     180         6.41474     8.65412e-06 
1 1 1 27 0  7  o 9.19312 4.56002 -0.440635    0.826154  -0.440635    0.826154  9.67955     270         4.18727     90          
1 1 1 27 0  8  o 11.7442 5.51466 0.278028     0.892889  0.278028     0.892889  17.2543     180         2.84916     180         
1 1 1 27 0  9  o 8.08824 4.12394 -1.07664     0.871818  -1.07664     0.871818  5.75453     90          8.63376     270         
1 1 1 27 0  10 o 10.8621 5.23442 0.0365443    0.908481  0.0365443    0.908481  14.431      360         2.52478     360         
1 1 1 27 0  11 o 9.10355 4.55161 -0.553387    0.876132  -0.553387    0.876132  8.94136     90          1.36683     270         
1 1 1 27 0  12 f 7.81261 3.98642 -1.03905     0.821949  -1.03905     0.821949  16.3301     4.78314e-06 0           0           
1 1 1 27 0  13 o 24.5978 7.60281 2.34529      1.00856   2.34529      1.00856   46.0049     270         18.2104     270         
1 1 1 27 0  14 o 9.17966 4.59486 -0.530763    0.901383  -0.530763    0.901383  2.89359     180         0.790258    180         
1 1 1 27 0  15 o 8.28123 4.22078 -1.00895     0.9093    -1.00895     0.9093    6.97647     270         4.2463      90          
1 1 1 27 0  16 o 10.8521 5.28999 0.0265865    0.98995   0.0265865    0.98995   3.30253     180         1.72322     180         
1 1 1 27 0  17 o 8.22275 4.19832 -1.03631     0.918501  -1.03631     0.918501  3.51339     90          0.137162    90          
1 1 1 27 0  18 o 11.0925 5.36392 0.170837     0.971916  0.170837     0.971916  1.50204     360         0.835884    360         
1 1 1 27 0  19 o 13.7731 6.19257 0.911866     0.967217  0.911866     0.967217  2.87079     270         2.00091     270         
1 1 1 27 0  20 o 6.99175 3.62335 -1.58882     0.849169  -1.58882     0.849169  0.223497    360         0.237818    180         
1 1 1 27 0  21 o 10.4057 5.06739 0.061248     0.903026  0.061248     0.903026  10.4204     90          2.36184     90          
1 1 1 27 0  22 o 9.72928 4.83397 -0.225424    0.940033  -0.225424    0.940033  8.59365     2.29546e-06 0.290434    180         
1 1 1 27 0  23 o 14.9541 6.51271 1.21843      0.983675  1.21843      0.983675  14.5442     90          9.71966     90          
1 1 1 27 0  24 o 6.3817  3.34161 -2.4171      0.901748  -2.4171      0.901748  0.410076    3.54774e-08 2.21543     180         
1 1 1 27 0  25 o 9.15928 4.62816 -0.546797    0.996817  -0.546797    0.996817  6.82064     270         0.313086    90          
1 1 1 27 0  26 o 19.8115 8.0011  2.63768      1.2919    2.63768      1.2919    26.3052     1.62466e-06 4.82265     180         
1 1 1 27 0  27 o 8.36832 4.30239 -1.11198     1.05599   -1.11198     1.05599   1.37271     270         0.0523424   270         
1 1 1 27 0  28 o 14.9818 6.90665 1.67723      1.30479   1.67723      1.30479   5.0365      180         3.68325     180         
1 1 1 27 0  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 1  0  o 24.5817 7.60973 2.23066      1.0103    2.23066      1.0103    31.7265     270         11.1342     90          
1 1 1 27 1  1  o 18.6172 5.50783 0.337262     0.920421  1.71884      0.959505  26.4718     11.885      1.57615     11.885      
1 1 1 27 1  2  o 19.2398 4.77193 2.62279      0.913362  -2.10253     0.846394  29.7365     266.011     5.5926      266.011     
1 1 1 27 1  3  o 11.9234 4.11516 -0.490944    0.818996  -0.926051    0.853185  15.298      146.621     3.85926     146.621     
1 1 1 27 1  4  o 13.4121 4.5111  -0.601393    0.879396  0.148418     0.855779  18.2653     163.69      3.45755     163.69      
1 1 1 27 1  5  o 28.2501 6.26839 2.96504      1.02427   2.62754      1.02672   52.2961     125.486     24.2807     125.486     
1 1 1 27 1  6  o 14.5843 4.70415 1.3518       0.934777  -2.08354     0.844174  20.1377     105.555     2.69229     105.555     
1 1 1 27 1  7  o 12.2166 4.21881 -0.876346    0.874898  -0.426258    0.883527  14.0506     172.51      2.33503     352.51      
1 1 1 27 1  8  o 17.877  5.4713  1.385        0.950317  0.628151     0.949346  22.4165     149.758     4.33656     329.758     
1 1 1 27 1  9  o 16.6378 5.24707 0.585647     0.911673  0.952063     0.93037   26.4262     234.315     15.4325     234.315     
1 1 1 27 1  10 o 25.0434 6.20778 1.83073      1.04776   3.08674      1.04875   38.3216     134.762     5.73322     134.762     
1 1 1 27 1  11 o 15.2164 4.99177 0.369299     0.952652  0.48206      0.931345  14.8293     27.0697     11.5692     207.07      
1 1 1 27 1  12 f 12.9453 4.42091 -0.447545    0.875862  -0.0977108   0.913836  7.00753     102.523     0           0           
1 1 1 27 1  13 o 14.2322 4.69931 1.22426      0.948173  -1.71143     0.914555  16.5271     12.9622     4.09405     192.962     
1 1 1 27 1  14 o 16.1669 5.21337 1.27467      1.02316   0.293596     0.919527  25.0223     223.336     13.4758     223.336     
1 1 1 27 1  15 o 15.838  5.1676  0.297781     0.980982  1.09875      1.01236   23.1505     47.3472     13.9794     47.3472     
1 1 1 27 1  16 o 13.4343 4.57616 -1.07836     0.985963  0.627101     0.958906  6.41377     76.5578     4.2334      76.5578     
1 1 1 27 1  17 o 17.8615 5.66873 1.5737       1.12507   1.30085      1.0545    25.7353     29.323      4.53255     29.323      
1 1 1 27 1  18 o 13.3678 4.54965 -0.0115941   0.895243  0.103051     0.962534  6.06336     141.229     4.01332     141.229     
1 1 1 27 1  19 o 14.1529 4.76344 -0.467113    1.01596   0.91635      0.964217  18.8753     338.443     9.75347     338.443     
1 1 1 27 1  20 o 14.2924 4.78118 0.62112      0.915237  0.265638     0.972948  19.109      181.539     9.30242     181.539     
1 1 1 27 1  21 o 12.5372 4.33933 0.037219     0.953531  -0.519878    0.936513  11.6598     100.491     7.81934     280.491     
1 1 1 27 1  22 o 12.9516 4.45366 0.265635     0.99219   -0.258385    0.896554  15.326      165.691     3.13148     165.691     
1 1 1 27 1  23 o 12.1246 4.22857 -1.19691     0.954205  0.219457     0.956072  13.0776     56.8177     1.10962     56.8178     
1 1 1 27 1  24 o 12.5505 4.35929 0.365467     0.988965  -0.908617    0.972123  14.1545     158.587     4.10012     158.587     
1 1 1 27 1  25 o 11.4844 4.03796 -1.16337     0.893847  -0.077264    0.952906  11.7906     111.089     2.79867     111.089     
1 1 1 27 1  26 o 11.9064 4.17201 0.47415      0.96181   -1.62284     0.977309  12.7043     142.993     1.75037     322.993     
1 1 1 27 1  27 o 11.7331 4.16455 -0.942491    0.99626   -0.222529    1.17092   13.2953     258.829     2.43339     258.829     
1 1 1 27 1  28 o 12.8036 4.57131 -0.167736    1.46602   -0.539409    1.41992   14.9353     343.465     6.97339     343.465     
1 1 1 27 1  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 2  0  o 14.3903 6.32171 0.812094     0.946496  0.812094     0.946496  4.62992     90          34.356      270         
1 1 1 27 2  1  o 18.7257 5.50914 0.555672     0.942024  1.57808      0.909819  26.5116     304.626     1.32987     304.626     
1 1 1 27 2  2  o 16.6979 5.27517 0.27871      0.931508  1.05354      0.958122  27.0678     343.939     12.4816     343.939     
1 1 1 27 2  3  o 11.6994 4.06444 -1.65884     0.806439  -0.154406    0.874511  14.2051     325.931     0.7597      325.931     
1 1 1 27 2  4  o 15.2061 4.96052 -0.105818    0.847732  0.752172     0.971661  15.633      235.336     10.3505     55.3363     
1 1 1 27 2  5  o 13.3485 4.49769 -0.3494      0.827751  0.00456694   0.888298  15.8927     62.3291     2.75761     242.329     
1 1 1 27 2  6  o 14.5733 4.80984 0.313948     0.910272  0.0540402    0.879604  21.5918     325.616     10.1685     325.616     
1 1 1 27 2  7  o 18.1833 5.32253 1.81313      0.916623  0.0270245    0.890346  26.8197     314.272     20.0382     314.272     
1 1 1 27 2  8  o 21.2978 6.00976 2.01804      0.999762  1.5147       1.02613   26.4389     222.725     7.17731     42.7251     
1 1 1 27 2  9  o 16.9071 5.29353 1.06688      0.93609   0.630621     0.905981  14.676      3.65684     11.0512     3.65684     
1 1 1 27 2  10 o 15.609  5.04387 0.8213       0.922651  0.222402     0.914653  19.92       180.585     1.31008     0.5848      
1 1 1 27 2  11 o 14.4205 4.77995 0.598274     0.911064  -0.252095    0.912864  20.6338     60.1228     8.96467     60.1228     
1 1 1 27 2  12 o 16.9738 5.36705 0.653482     0.955835  1.20918      0.988751  26.2871     10.3001     9.77779     10.3001     
1 1 1 27 2  13 o 12.0854 4.2003  -0.882841    0.894188  -0.4148      0.930154  10.0403     313.841     11.298      133.841     
1 1 1 27 2  14 o 15.5486 5.04734 -0.672851    0.98719   1.45488      0.995677  23.5485     77.8068     12.1093     77.8068     
1 1 1 27 2  15 o 10.4875 3.72438 -2.3576      0.845055  -0.531265    0.874119  10.4294     298.698     2.65336     298.698     
1 1 1 27 2  16 o 13.3035 4.54436 -0.67518     0.948215  0.39206      0.96111   16.8914     209.072     1.23103     209.072     
1 1 1 27 2  17 o 16.9389 5.32198 0.564239     0.954652  1.55895      0.964048  22.6662     26.2384     0.422917    26.2382     
1 1 1 27 2  18 o 17.3483 5.42506 0.760511     1.00931   1.67496      0.971895  26.0647     240.978     17.6913     240.978     
1 1 1 27 2  19 o 10.4396 3.71051 -1.27588     0.854731  -1.32505     0.932733  8.38134     196.478     2.69723     196.478     
1 1 1 27 2  20 o 13.9935 4.71532 -1.12404     1.0364    1.15991      0.974804  15.2348     277.539     8.83017     277.539     
1 1 1 27 2  21 o 16.5028 5.35659 1.65874      1.08264   0.72933      1.01456   24.4176     143.362     11.1807     143.362     
1 1 1 27 2  22 o 13.373  4.58714 0.426341     0.993733  -0.188848    0.995474  13.3986     298.386     6.6278      298.386     
1 1 1 27 2  23 o 13.6581 4.67682 -0.126696    1.00783   0.583694     1.03279   15.2671     138.531     2.22025     318.53      
1 1 1 27 2  24 o 17.8173 5.55658 2.42561      1.05439   0.600568     1.1419    19.8746     357.502     7.30388     177.502     
1 1 1 27 2  25 o 13.3056 4.53348 0.110837     0.96946   0.412136     0.899572  12.4457     89.3663     6.91495     89.3663     
1 1 1 27 2  26 o 12.7669 4.45348 -1.11596     0.939254  1.00495      1.09436   15.4061     184.529     4.95844     184.529     
1 1 1 27 2  27 o 15.0601 5.09064 0.15213      1.05071   2.00335      1.18212   20.4304     196.546     11.2181     196.546     
1 1 1 27 2  28 o 12.0368 4.23896 -0.613924    0.897403  0.116256     1.14301   12.5462     264.93      6.08564     264.93      
1 1 1 27 2  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 3  0  o 9.33304 4.6174  -0.408211    0.831133  -0.408211    0.831133  10.5472     90          0.186733    90          
1 1 1 27 3  1  o 11.217  3.91083 -0.780019    0.819967  -1.08177     0.806703  11.0575     318.937     6.12481     138.937     
1 1 1 27 3  2  o 13.9983 4.6362  -0.862952    0.892345  0.599651     0.868065  17.0746     330.872     2.56488     150.872     
1 1 1 27 3  3  o 13.1119 4.44458 -0.497014    0.877048  -0.0817401   0.863152  17.5968     217.753     8.1559      217.753     
1 1 1 27 3  4  o 14.2721 4.74127 0.119528     0.888857  0.0560882    0.899011  16.3505     58.6834     5.22116     238.683     
1 1 1 27 3  5  o 13.0654 4.43291 -1.3329      0.829554  0.47382      0.917105  17.4643     206.508     3.87851     206.508     
1 1 1 27 3  6  o 13.2239 4.41081 0.804261     0.862212  -2.03679     0.847864  13.005      313.805     7.97124     313.805     
1 1 1 27 3  7  o 13.5378 4.55473 -0.268104    0.853917  0.085649     0.895374  17.6789     114.052     1.81901     114.052     
1 1 1 27 3  8  o 13.2952 4.48261 0.397768     0.881721  -0.861185    0.861128  16.0399     145.345     1.54494     325.345     
1 1 1 27 3  9  o 13.0001 4.42418 -0.843183    0.850398  0.231001     0.908719  16.791      182.803     6.89213     182.803     
1 1 1 27 3  10 o 12.0934 4.179   -0.187118    0.868751  -1.09071     0.872401  14.5954     269.148     1.56149     269.148     
1 1 1 27 3  11 o 17.5879 5.0687  2.29633      0.95731   -1.33779     0.883259  26.4376     246.796     19.1359     246.796     
1 1 1 27 3  12 o 15.0014 4.95382 0.980569     0.980539  -0.389645    0.976651  20.7449     105.698     3.79465     105.698     
1 1 1 27 3  13 o 10.541  3.73171 -1.41093     0.845318  -1.1677      0.875236  10.7335     156.762     2.29088     156.762     
1 1 1 27 3  14 o 12.1155 4.18542 0.0527148    0.87774   -1.19126     0.864177  14.34       291.785     0.0960495   111.786     
1 1 1 27 3  15 o 12.5959 4.32455 -0.63595     0.880345  0.0217261    0.895997  11.3218     93.8698     6.52978     93.8698     
1 1 1 27 3  16 f 13.087  4.46488 -0.474831    0.868429  0.283165     0.940457  16.2365     87.8666     0           0           
1 1 1 27 3  17 o 10.7462 3.78175 -0.368924    0.817769  -1.78526     0.846649  11.5629     111.119     3.10625     111.119     
1 1 1 27 3  18 o 11.9995 4.17443 0.659663     0.932792  -2.09703     0.813932  14.4755     286.414     3.81274     286.414     
1 1 1 27 3  19 o 14.1909 4.79419 0.78317      1.01698   -0.0478778   0.965974  12.833      11.1606     11.6032     191.161     
1 1 1 27 3  20 o 11.1084 3.94114 -2.47509     0.911437  -0.002397    0.959426  6.14181     80.0391     2.60007     80.0391     
1 1 1 27 3  21 o 13.9268 4.71389 0.597305     0.952025  0.0582864    0.998514  9.3758      83.3575     5.73418     83.3575     
1 1 1 27 3  22 o 14.199  4.77436 -0.0424857   0.990719  0.901607     0.958585  15.6268     148.853     3.76634     328.853     
1 1 1 27 3  23 o 10.8711 3.8347  -0.508496    0.87048   -1.32382     0.875791  7.20805     64.7729     2.23173     64.7729     
1 1 1 27 3  24 o 10.7152 3.78571 -0.689633    0.85824   -1.14867     0.878536  7.9623      144.422     2.30853     144.422     
1 1 1 27 3  25 o 14.523  4.91167 1.20709      1.04059   0.136946     1.09059   5.60335     163.129     3.76863     163.129     
1 1 1 27 3  26 o 12.2945 4.30132 -0.122027    0.983479  -0.23325     1.04958   9.55778     307.94      5.10368     307.94      
1 1 1 27 3  27 o 16.6547 5.402   0.684184     0.995118  2.5          1.14352   25.2472     91.0189     12.3228     91.0189     
1 1 1 27 3  28 o 9.85855 3.52027 -1.751       0.808017  -0.720805    0.85961   4.13302     280.577     1.71936     280.577     
1 1 1 27 3  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 4  0  o 13.5784 6.08725 0.677874     0.926681  0.677874     0.926681  12.2837     90          16.2883     270         
1 1 1 27 4  1  o 18.5835 5.54617 0.853537     0.920741  1.43292      0.931218  32.1253     19.1296     18.0777     19.1296     
1 1 1 27 4  2  o 14.5715 4.7543  0.991733     0.912493  -0.952118    0.851182  19.6183     88.9573     1.72248     88.9573     
1 1 1 27 4  3  f 14.5638 4.6558  1.22941      0.873425  -1.56845     0.822733  4.24695     82.292      0           0           
1 1 1 27 4  4  o 14.8727 4.85343 0.765366     0.890322  -0.344484    0.908879  20.8567     70.2034     12.3523     70.2034     
1 1 1 27 4  5  o 16.1834 5.13253 1.04547      0.90254   0.135803     0.933767  23.2025     145.431     4.1939      145.431     
1 1 1 27 4  6  o 13.0626 4.41648 0.119786     0.845094  -0.591771    0.858938  17.4202     166.781     6.57738     166.781     
1 1 1 27 4  7  o 12.7773 4.35524 0.267692     0.882688  -1.14042     0.858827  15.7519     60.3875     0.495582    60.3875     
1 1 1 27 4  8  o 14.1224 4.66471 0.909152     0.908355  -1.01807     0.85764   17.7402     144.05      10.2387     144.05      
1 1 1 27 4  9  o 11.9266 4.12276 -0.545816    0.847172  -0.653591    0.84368   14.3391     79.8995     3.90729     79.8995     
1 1 1 27 4  10 o 15.7113 5.0906  0.0565024    0.934317  1.05122      0.968282  20.1262     298.748     13.2882     298.748     
1 1 1 27 4  11 o 14.2839 4.78681 -0.459916    0.946171  0.670088     0.973071  14.6387     46.2848     8.59877     226.285     
1 1 1 27 4  12 o 16.2557 5.22265 1.35405      1.00553   0.177891     0.949474  23.3757     62.8958     5.02388     62.8958     
1 1 1 27 4  13 o 15.5579 5.00503 1.41777      0.955176  -0.527475    0.933882  18.2469     161.693     12.5248     161.693     
1 1 1 27 4  14 o 12.5235 4.30637 0.321738     0.906512  -1.25682     0.887971  16.0652     158.66      5.16172     158.66      
1 1 1 27 4  15 o 11.2007 3.95123 -2.4292      0.865229  0.0157613    0.914954  12.6354     58.4355     0.128637    58.436      
1 1 1 27 4  16 o 12.4954 4.28512 0.332331     0.853683  -1.25678     0.946551  15.9231     103.862     6.4077      103.862     
1 1 1 27 4  17 o 10.8178 3.83476 -1.90196     0.7899    -0.243596    0.925013  11.6172     358.952     2.2587      358.952     
1 1 1 27 4  18 o 13.6129 4.6215  0.701893     0.965788  -0.460393    0.941433  18.1484     175.026     6.30212     175.026     
1 1 1 27 4  19 o 16.6021 5.27161 0.496114     0.945135  1.69194      0.989241  14.9252     150.296     10.817      150.296     
1 1 1 27 4  20 o 14.5521 4.84876 1.12392      0.969521  -0.185196    0.970793  18.9768     197.903     3.35134     197.903     
1 1 1 27 4  21 o 13.3853 4.55521 0.411142     0.919361  -0.0702909   0.954251  12.7992     294.879     6.62157     294.879     
1 1 1 27 4  22 o 13.1076 4.48579 -0.759281    0.908269  0.747108     0.965075  11.7293     306.466     5.90264     306.466     
1 1 1 27 4  23 f 12.7463 4.38033 -0.276146    0.936947  0.191893     0.903054  9.80757     318.304     0           0           
1 1 1 27 4  24 o 13.0918 4.44186 -1.43003     0.885903  1.17526      0.922335  14.7068     112.423     1.75395     292.423     
1 1 1 27 4  25 o 9.85969 3.53569 -1.66487     0.87971   -1.54141     0.960027  7.5969      22.5843     1.06708     22.5843     
1 1 1 27 4  26 o 11.8709 4.17463 0.272761     0.953046  -1.63342     1.1427    13.3814     170.456     0.581743    170.456     
1 1 1 27 4  27 o 13.6583 4.65211 -1.05165     0.930353  1.6073       1.03612   17.1765     190.112     9.10402     190.112     
1 1 1 27 4  28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 4  29 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 5  0  f 14.0948 6.19084 0.799391     0.907323  0.799391     0.907323  4.61846     270         0           0           
1 1 1 27 5  1  o 13.5527 4.53913 -0.849357    0.834473  0.541805     0.89269   18.6824     252.447     5.93743     252.447     
1 1 1 27 5  2  o 16.6902 5.23294 0.762764     0.905621  0.813727     0.895008  15.776      96.3727     11.7486     96.3727     
1 1 1 27 5  3  o 12.0818 4.16594 -0.475543    0.850084  -0.67447     0.845606  14.9479     304.141     3.89091     304.141     
1 1 1 27 5  4  o 15.4855 4.99885 0.435676     0.893749  0.576731     0.891494  21.7576     334.77      13.4184     334.77      
1 1 1 27 5  5  o 12.5779 4.29158 -1.08054     0.836909  0.185003     0.859943  14.8431     347.841     6.87139     347.841     
1 1 1 27 5  6  o 16.1046 5.11519 -0.146445    0.9119    1.28607      0.94463   23.9659     66.0013     14.6093     66.0013     
1 1 1 27 5  7  o 15.264  4.92903 1.21512      0.937795  -0.649335    0.902861  15.4251     283.265     10.615      283.265     
1 1 1 27 5  8  o 20.8597 5.886   2.53512      1.05208   0.906108     0.987742  30.5011     280.033     24.1935     280.033     
1 1 1 27 5  9  o 13.0499 4.42986 0.317921     0.874626  -0.912276    0.899927  9.16525     347.33      5.65977     347.33      
1 1 1 27 5  10 o 15.5598 5.07623 0.7498       0.965398  0.431508     0.94378   20.307      175.923     0.0860026   175.923     
1 1 1 27 5  11 o 17.597  5.50522 0.858315     1.03469   1.4414       0.980292  28.6149     234.009     17.0512     234.009     
1 1 1 27 5  12 o 15.2803 4.99612 0.215675     0.956827  0.849389     0.928315  15.6139     194.843     9.84657     14.8434     
1 1 1 27 5  13 o 10.9114 3.8381  -0.967796    0.80036   -1.01029     0.897362  9.97012     315.393     4.03216     315.393     
1 1 1 27 5  14 o 23.4255 6.34125 2.72938      1.06996   2.39521      1.09612   40.9237     199.286     18.9118     199.286     
1 1 1 27 5  15 o 18.1334 5.59868 1.92411      1.03706   0.897878     0.987778  20.5456     225.362     8.43576     45.3618     
1 1 1 27 5  16 f 14.8514 4.88503 1.11474      0.935606  -0.178383    0.944341  11.9279     203.192     0           0           
1 1 1 27 5  17 o 13.5421 4.56737 0.760565     0.899577  -0.683072    0.946889  16.9388     349.189     0.956969    349.189     
1 1 1 27 5  18 o 12.1992 4.19265 0.219274     0.840375  -0.834454    0.858863  11.5461     262.436     5.54436     262.436     
1 1 1 27 5  19 o 12.7808 4.37243 0.511483     0.914323  -0.718666    0.85749   15.0189     332.128     5.45512     332.128     
1 1 1 27 5  20 o 16.0897 5.11534 2.2375       1.03681   -0.680955    0.904396  22.9985     218.263     12.2968     218.263     
1 1 1 27 5  21 o 13.2811 4.47077 -2.32394     0.833431  1.49953      0.944565  11.3198     351.18      6.00942     351.18      
1 1 1 27 5  22 o 12.3776 4.27853 0.723774     0.916419  -2.1288      1.00132   9.19198     187.442     12.6339     7.44189     
1 1 1 27 5  23 o 13.1277 4.54375 -0.00900169  1.06571   0.13034      1.01089   14.1605     228.006     6.60209     228.006     
1 1 1 27 5  24 o 17.1721 5.37999 -0.809967    1.09664   3.01926      1.12341   25.4159     202.694     8.93225     202.694     
1 1 1 27 5  25 o 11.0679 3.92417 -0.938514    0.870979  -0.602682    1.03949   11.5776     86.77       1.85145     86.77       
1 1 1 27 5  26 o 12.7131 4.38509 1.00578      0.969008  -1.08387     0.91346   13.1553     193.103     7.06455     193.103     
1 1 1 27 5  27 o 13.2211 4.50256 1.30239      0.957919  -1.07278     0.91342   11.8725     348.171     7.44511     348.171     
1 1 1 27 5  28 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 6  0  o 17.5982 6.98494 1.41116      0.962014  1.41116      0.962014  32.7079     90          23.5564     90          
1 1 1 27 6  1  o 14.5204 4.78854 0.426956     0.870718  0.041333     0.908575  20.1452     95.6662     10.7216     95.6662     
1 1 1 27 6  2  o 18.6996 5.6129  0.652469     0.969851  1.82238      0.994065  31.7399     98.5009     17.497      98.5009     
1 1 1 27 6  3  o 15.1735 4.99262 0.451112     0.974681  0.36369      0.929798  17.1595     100.769     6.02403     280.769     
1 1 1 27 6  4  o 17.2797 5.41814 1.56023      1.01227   0.270719     0.985256  21.3159     83.3211     4.14106     263.321     
1 1 1 27 6  5  o 9.62454 3.43736 -1.24808     0.821203  -2.16712     0.775952  6.05242     18.8099     11.324      198.81      
1 1 1 27 6  6  o 18.3876 5.61295 2.20594      1.10048   0.217695     0.944579  27.4219     117.298     6.0891      117.298     
1 1 1 27 6  7  o 16.3332 5.30124 0.426783     1.0306    1.08297      1.02969   19.3552     216.167     5.04572     36.1673     
1 1 1 27 6  8  o 13.5018 4.59156 -0.98122     0.87201   0.654966     0.998034  18.2346     186.046     5.56407     186.046     
1 1 1 27 6  9  o 16.514  5.24675 0.494563     0.952658  1.21052      0.948224  25.8079     217.856     14.8768     217.856     
1 1 1 27 6  10 o 12.1939 4.21327 -0.154673    0.869723  -0.916576    0.903951  5.73493     251.994     21.2673     71.9939     
1 1 1 27 6  11 o 12.6715 4.31928 -1.59635     0.838749  0.639818     0.888643  15.316      85.7525     0.242648    265.753     
1 1 1 27 6  12 o 13.0692 4.45406 -0.102852    0.900046  -0.115508    0.896599  17.051      85.9938     7.61134     85.9938     
1 1 1 27 6  13 o 20.5084 5.8647  2.72342      1.05664   0.964845     1.03417   36.7794     307.728     24.4853     307.728     
1 1 1 27 6  14 o 16.6236 5.21557 1.55006      0.923152  0.285588     0.968243  24.1214     189.474     16.4043     189.474     
1 1 1 27 6  15 o 14.4716 4.80992 0.315176     0.922925  0.591798     0.923223  20.5791     249.118     9.69879     249.118     
1 1 1 27 6  16 o 11.0985 3.89586 -1.09815     0.821221  -0.468278    0.879402  8.97769     281.443     3.77381     281.443     
1 1 1 27 6  17 o 11.8641 4.14342 -0.188561    0.884971  -1.11536     1.00377   13.4881     6.40215     2.55177     6.40215     
1 1 1 27 6  18 o 12.837  4.38975 0.284986     0.846297  -0.535285    0.983348  11.3617     231.8       9.71308     51.7999     
1 1 1 27 6  19 o 13.0827 4.43626 1.06162      0.920969  -1.44139     0.861371  14.6482     278.308     1.65537     98.3081     
1 1 1 27 6  20 o 11.967  4.15887 -0.935715    0.842923  0.173105     0.923337  11.562      284.146     4.40125     104.146     
1 1 1 27 6  21 o 11.8641 4.13403 0.0425233    0.909131  -1.01915     0.900567  7.70249     289.005     14.2371     109.005     
1 1 1 27 6  22 o 13.6754 4.70178 1.35092      1.12082   -0.921701    0.929295  1.18976     10.192      0.746798    10.192      
1 1 1 27 6  23 f 15.5788 5.20015 1.24221      1.03598   1.02185      1.18963   5.35036     265.977     0           0           
1 1 1 27 6  24 o 12.5692 4.37804 -1.51562     0.888485  1.11964      1.03969   15.0023     319.871     4.60668     319.871     
1 1 1 27 6  25 o 11.8307 4.12884 -0.216865    0.890412  -0.287829    0.941047  10.9567     312.59      5.28089     312.59      
1 1 1 27 6  26 o 16.4357 5.3417  1.55268      1.02446   1.4823       1.06242   23.0988     93.0684     5.60954     93.0684     
1 1 1 27 6  27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 7  0  o 14.7056 6.48063 0.974434     1.00263   0.974434     1.00263   24.5702     90          7.1656      90          
1 1 1 27 7  1  o 15.0016 4.89849 0.847545     0.914771  -0.103576    0.897574  22.0535     251.017     10.9453     251.017     
1 1 1 27 7  2  o 13.1807 4.47653 -1.00834     0.931036  0.376919     0.895381  16.5131     304.477     8.04241     304.477     
1 1 1 27 7  3  o 14.7346 4.8334  1.09055      0.938537  -0.81417     0.925152  19.8999     168.606     11.6648     168.606     
1 1 1 27 7  4  o 12.6822 4.32706 0.701764     0.912793  -1.74171     0.788179  7.22588     155.012     4.40701     155.012     
1 1 1 27 7  5  o 16.3775 5.08784 2.00454      1.00353   -1.2186      0.907978  21.7989     127.667     0.226376    127.666     
1 1 1 27 7  6  o 15.3812 5.02804 0.181696     0.958733  0.886513     0.948215  16.7997     351.588     7.50232     171.588     
1 1 1 27 7  7  o 12.8493 4.38677 -0.56621     0.867221  0.0903968    0.895333  16.1066     67.7997     1.45629     67.7996     
1 1 1 27 7  8  o 15.3694 4.99524 1.34091      0.979659  -0.469124    0.922789  23.1531     269.091     11.147      269.091     
1 1 1 27 7  9  o 14.7682 4.86108 -0.145039    0.895389  0.917648     0.938241  21.6372     60.221      10.0579     60.221      
1 1 1 27 7  10 o 14.51   4.78687 0.771934     0.898121  -0.0876241   0.897949  21.0078     168.712     9.95094     168.712     
1 1 1 27 7  11 o 12.1273 4.22299 -0.680128    0.818344  -0.349002    1.02626   13.9709     132.283     1.27697     312.283     
1 1 1 27 7  12 f 13.8966 4.69906 -0.00539246  0.878673  0.412976     1.02161   10.679      228.705     0           0           
1 1 1 27 7  13 o 16.0777 5.18408 1.03964      0.912617  0.744947     1.0231    24.8039     261.207     12.6316     261.207     
1 1 1 27 7  14 o 11.8029 4.10666 -0.603809    0.902349  -0.449805    0.86435   13.9283     316.194     3.0104      316.194     
1 1 1 27 7  15 o 12.814  4.38959 -0.95986     0.881022  0.579493     0.928259  14.4193     41.8622     6.95767     41.8622     
1 1 1 27 7  16 o 12.5094 4.29994 -0.612298    0.854124  0.232356     0.907182  14.5412     334.535     5.28532     334.535     
1 1 1 27 7  17 o 10.412  3.68806 -0.815425    0.84108   -1.47391     0.853283  8.64886     5.0999      5.97037     185.1       
1 1 1 27 7  18 o 16.6358 5.30226 1.33765      0.975531  1.07622      0.956804  24.5203     280.301     11.0462     280.301     
1 1 1 27 7  19 o 12.2339 4.23263 0.141812     0.911572  -0.686886    0.877583  11.0736     18.4517     7.17233     198.452     
1 1 1 27 7  20 o 12.7792 4.36782 -0.153874    0.865804  0.176334     0.891487  14.5359     58.6396     0.399745    58.6396     
1 1 1 27 7  21 o 12.0115 4.20994 -0.110094    0.998369  -0.853524    0.971358  4.74061     52.1181     2.42845     52.1181     
1 1 1 27 7  22 o 16.6148 5.43235 1.24699      1.03721   1.74926      1.1602    24.4052     102.117     10.6145     102.117     
1 1 1 27 7  23 o 13.8085 4.71105 1.01916      1.00941   -0.168224    1.04869   17.9944     301.514     6.07749     301.514     
1 1 1 27 7  24 o 11.3515 3.99257 -0.619446    0.864837  -0.387977    0.96512   12.1407     157.648     3.63644     157.648     
1 1 1 27 7  25 o 11.9668 4.16953 -0.398367    0.938911  -0.0315541   0.906281  14.2386     328.662     2.66051     328.662     
1 1 1 27 7  26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 7  27 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 8  0  o 21.1554 7.45382 1.96324      0.992562  1.96324      0.992562  39.5291     270         16.1217     270         
1 1 1 27 8  1  o 13.1639 4.39689 -1.29254     0.8214    0.760205     0.839615  13.3382     198.271     7.94136     198.271     
1 1 1 27 8  2  o 15.822  5.04897 0.0225036    0.899282  1.23078      0.917471  17.2514     305.865     8.07168     125.865     
1 1 1 27 8  3  o 13.0658 4.39274 -0.540681    0.804915  0.374042     0.832309  17.4465     33.3891     5.81931     33.3891     
1 1 1 27 8  4  o 12.4844 4.23113 0.614564     0.834603  -1.53704     0.779926  13.4465     339.374     7.09008     339.374     
1 1 1 27 8  5  o 12.1515 4.20893 -0.385024    0.796597  -0.684726    1.00406   14.8204     45.8662     5.35236     45.8663     
1 1 1 27 8  6  o 16.3213 5.08308 -1.67945     0.851267  2.36612      1.06415   25.1776     325.389     9.75299     325.389     
1 1 1 27 8  7  o 15.8631 5.13876 0.758511     0.914317  0.764756     0.995869  22.9956     178.067     14.2585     178.067     
1 1 1 27 8  8  o 17.2952 5.21592 2.14635      0.975625  -0.399198    0.881028  28.1754     72.9117     17.8802     72.9117     
1 1 1 27 8  9  o 12.3698 4.24792 -0.830634    0.849154  0.142115     0.870535  15.773      302.919     5.00551     302.919     
1 1 1 27 8  10 o 12.0234 4.15195 -0.374743    0.844104  -0.442449    0.858435  13.4795     87.2854     6.34656     87.2854     
1 1 1 27 8  11 o 17.4183 5.45266 1.92481      1.04948   0.558037     0.932178  24.6351     242.956     3.73685     242.956     
1 1 1 27 8  12 o 14.085  4.68948 1.09105      0.934468  -0.704733    0.889038  19.5362     67.1281     6.89074     67.1281     
1 1 1 27 8  13 o 15.0041 4.89942 -0.205957    0.937918  1.27055      0.925436  19.5313     16.1001     1.3557      16.1001     
1 1 1 27 8  14 o 14.8488 4.91446 1.05865      0.924452  -0.0650543   1.056     16.8181     58.2371     4.47436     238.237     
1 1 1 27 8  15 o 15.5631 5.01661 0.126576     0.896268  1.42299      0.941495  9.3516      33.0446     6.59115     33.0446     
1 1 1 27 8  16 o 14.3257 4.77264 0.411511     0.920432  0.591263     0.915209  17.9231     234.924     8.84938     234.924     
1 1 1 27 8  17 o 12.8472 4.39915 0.0612081    0.877355  -0.0621173   0.929941  14.0767     35.6337     5.21498     35.6337     
1 1 1 27 8  18 f 12.3444 4.27554 0.0625644    0.927168  -0.596692    0.919393  11.9385     317.566     0           0           
1 1 1 27 8  19 o 13.3999 4.55016 -0.873771    0.923624  0.961069     0.951094  16.2107     288.225     2.45214     288.225     
1 1 1 27 8  20 o 13.2192 4.52849 0.185824     0.917935  0.152144     1.00213   15.6962     260.929     6.20785     260.929     
1 1 1 27 8  21 o 12.521  4.32465 0.463535     0.896235  -0.931615    1.02104   7.48177     211.179     4.17241     211.179     
1 1 1 27 8  22 o 14.5501 4.91674 1.12049      1.03752   0.466945     1.06442   17.328      224.835     10.109      224.835     
1 1 1 27 8  23 o 11.1161 3.92077 -1.66189     0.921174  0.0742581    0.898961  9.63891     303.006     3.98941     303.006     
1 1 1 27 8  24 o 17.6142 5.31797 -0.0175229   0.970915  2.7968       1.00912   10.435      116.521     8.2745      116.521     
1 1 1 27 8  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 8  26 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 9  0  o 6.2854  3.26841 -1.68488     0.736397  -1.68488     0.736397  1.21131     90          2.52256     270         
1 1 1 27 9  1  o 14.7474 4.9049  -0.666253    1.13391   0.975145     0.941315  19.9252     86.2118     2.91952     86.2118     
1 1 1 27 9  2  o 15.3056 4.88562 -1.5908      1.17233   1.40876      0.873447  22.8908     342.842     12.8674     342.842     
1 1 1 27 9  3  o 14.9657 4.88518 0.414913     0.882746  0.650379     0.889221  20.8159     180.932     4.17934     180.932     
1 1 1 27 9  4  o 11.5669 4.01198 -2.17527     0.797054  0.384853     0.840133  11.1359     60.2048     5.34372     60.2048     
1 1 1 27 9  5  o 11.9545 4.13546 -0.603044    0.867295  -0.344726    0.845895  13.1354     207.497     2.92342     27.497      
1 1 1 27 9  6  o 13.2174 4.48319 0.0824829    0.912081  -0.0714606   0.856576  17.4393     204.388     3.6832      204.388     
1 1 1 27 9  7  o 15.7905 5.05046 1.01446      0.903683  0.568075     0.870954  24.351      99.7511     12.0179     99.7511     
1 1 1 27 9  8  o 13.7177 4.56752 -0.554096    0.848197  0.811517     0.871432  17.3434     333.61      9.70093     333.61      
1 1 1 27 9  9  o 14.5814 4.79353 0.197401     0.846106  0.801563     0.905926  12.4052     268.586     8.4375      268.586     
1 1 1 27 9  10 o 12.0445 4.14054 0.0527464    0.809112  -0.740215    0.850825  14.3196     290.054     4.33002     290.054     
1 1 1 27 9  11 o 16.8778 5.23086 1.56586      0.901876  0.620135     0.900404  26.0184     325.614     15.5379     325.614     
1 1 1 27 9  12 o 12.6085 4.31114 -0.335295    0.812577  0.154464     0.894388  14.1547     245.638     6.10281     245.638     
1 1 1 27 9  13 o 9.15236 3.28475 -2.16689     0.702259  -1.01804     0.795617  6.50083     215.631     5.07442     35.6307     
1 1 1 27 9  14 o 13.9976 4.69825 0.21685      0.920943  0.539427     0.922594  14.3748     55.5818     6.53788     235.582     
1 1 1 27 9  15 o 13.7861 4.54111 -1.42389     0.852564  1.35218      0.880022  15.964      113.926     7.81314     113.926     
1 1 1 27 9  16 o 11.748  4.08832 -0.527285    0.834781  -0.336749    0.910669  10.9353     82.231      3.23718     82.231      
1 1 1 27 9  17 o 13.6075 4.60154 0.0416365    0.887846  0.51805      0.943571  15.1756     325.259     2.32325     145.259     
1 1 1 27 9  18 o 14.6223 4.90881 0.00153814   0.960163  1.24827      1.05241   17.6932     57.9184     9.51821     57.9184     
1 1 1 27 9  19 o 12.152  4.23038 -0.657602    0.889959  0.111385     0.971057  11.0901     50.9474     4.94315     50.9474     
1 1 1 27 9  20 o 8.84735 3.19394 -2.10335     0.75414   -1.96037     0.899594  5.00219     306.756     0.352542    126.756     
1 1 1 27 9  21 o 11.6495 4.0774  -0.776234    0.873159  0.0268032    0.938307  10.6817     331.44      4.68975     331.44      
1 1 1 27 9  22 o 13.9885 4.76283 0.395864     1.08698   0.816982     0.979554  16.2127     77.4881     9.4329      77.4881     
1 1 1 27 9  23 o 10.5332 3.75005 -0.396514    0.936928  -1.69159     0.864632  10.7895     32.3642     2.32855     32.3642     
1 1 1 27 9  24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 9  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 10 0  o 9.81932 4.79862 -0.0933942   0.827152  -0.0933942   0.827152  4.97119     90          1.95151     90          
1 1 1 27 10 1  o 9.62096 3.42075 -2.18597     0.734061  -0.602783    0.74543   8.6481      173.91      3.38572     353.91      
1 1 1 27 10 2  o 13.8875 4.76756 -0.239837    0.826484  0.722515     1.24101   15.3617     174.253     9.18045     174.253     
1 1 1 27 10 3  o 18.5045 5.63216 2.06924      0.957978  0.686277     1.33877   30.5185     56.0416     15.3928     56.0416     
1 1 1 27 10 4  o 15.5927 5.1473  0.170558     0.872132  1.48899      1.14117   20.2364     321.959     0.591193    321.959     
1 1 1 27 10 5  o 13.7924 4.67892 -0.194095    0.817943  0.702443     1.06544   18.5865     59.7649     5.83598     59.7649     
1 1 1 27 10 6  o 15.5612 5.18829 0.127144     0.915017  1.60892      1.20935   17.9373     2.70346     4.60533     182.703     
1 1 1 27 10 7  f 14.9985 5.07027 -0.39286     0.948992  1.63385      1.21347   8.52731     314.527     0           0           
1 1 1 27 10 8  o 13.4735 4.65058 -0.799863    0.924684  0.836325     1.13001   10.7655     298.85      6.42925     298.85      
1 1 1 27 10 9  o 15.1922 5.19356 0.81162      1.47703   0.639106     1.0587    8.15877     215.098     5.55586     215.098     
1 1 1 27 10 10 o 11.7384 4.15568 -1.68557     1.26804   -0.610714    0.939742  1.94485     69.9773     0.989463    69.9773     
1 1 1 27 10 11 o 13.363  4.66592 0.30621      1.28044   -0.45688     1.01538   8.58833     258.209     4.93847     258.209     
1 1 1 27 10 12 o 15.3545 5.04744 1.17521      0.950634  0.347891     1.0448    13.8279     244.676     9.02863     244.676     
1 1 1 27 10 13 o 13.3786 4.56195 -1.42204     0.793743  1.40676      1.02745   9.23654     258.102     5.15514     258.102     
1 1 1 27 10 14 o 10.9305 3.86633 -1.07596     0.768128  -0.62955     0.994086  4.79548     129.231     1.6563      129.231     
1 1 1 27 10 15 o 12.3125 4.25022 0.20933      0.839722  -1.01169     1.01719   13.6651     109.575     2.04522     109.575     
1 1 1 27 10 16 o 15.5837 5.14297 1.85991      1.05851   -0.619743    1.20999   21.6415     327.258     9.9588      327.258     
1 1 1 27 10 17 o 10.3817 3.69705 -1.75321     0.773543  -0.405515    0.916243  6.75632     161.634     1.83224     161.634     
1 1 1 27 10 18 o 15.8148 5.17848 0.936555     0.981936  1.36027      1.02976   20.496      253.667     12.577      253.667     
1 1 1 27 10 19 o 10.9182 3.85986 -0.934042    0.832833  -0.592103    0.959133  7.69155     245.023     3.10253     245.023     
1 1 1 27 10 20 o 11.9156 4.16471 -1.08385     0.86292   0.485521     0.968338  8.17225     157.837     4.36039     157.837     
1 1 1 27 10 21 o 13.5129 4.58332 -0.20092     0.893355  1.00801      0.959465  8.93615     289.457     5.83083     289.457     
1 1 1 27 10 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 10 23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 11 0  o 12.4675 5.92562 0.580383     1.08719   0.580383     1.08719   10.6878     270         14.7337     90          
1 1 1 27 11 1  o 13.7249 4.65115 -0.92404     0.8219    1.20986      1.03061   17.9568     331.216     6.55809     331.216     
1 1 1 27 11 2  o 13.7221 4.69301 -0.729083    0.885819  1.0237       1.09149   17.134      294.22      7.93339     294.22      
1 1 1 27 11 3  o 11.7153 4.09622 -0.00217476  0.895432  -1.64807     0.973859  12.7408     319.36      3.32749     319.36      
1 1 1 27 11 4  o 13.9941 4.73207 0.479485     0.915657  0.0592786    1.05171   18.4193     91.7147     5.71563     91.7147     
1 1 1 27 11 5  o 16.7721 5.20744 2.46786      1.04899   -1.19227     1.00414   25.674      88.7424     13.4795     88.7424     
1 1 1 27 11 6  o 13.516  4.6207  -0.181099    0.917677  0.440565     1.03681   16.2235     359.844     7.20643     359.844     
1 1 1 27 11 7  o 10.6298 3.79625 -2.55575     0.764636  0.057784     0.929132  9.48259     46.8375     3.979       226.837     
1 1 1 27 11 8  o 11.7029 4.10749 -0.358592    0.936794  -1.09904     0.979855  4.57951     239.702     2.16715     239.702     
1 1 1 27 11 9  o 9.39091 3.37075 -1.58508     0.737725  -1.99618     0.948231  6.10368     90.4646     7.30291     270.465     
1 1 1 27 11 10 o 11.9726 4.28002 -1.64072     0.825609  0.440314     1.27394   12.42       149.065     0.543334    149.065     
1 1 1 27 11 11 o 12.9391 4.51081 -0.0552095   0.920715  -0.458832    1.29576   13.768      90.8768     2.44765     270.877     
1 1 1 27 11 12 o 16.51   5.41955 1.60728      1.00761   0.648881     1.499     23.6225     273.851     10.749      273.851     
1 1 1 27 11 13 o 16.9099 5.55501 1.12587      1.02988   1.9194       1.30639   24.6193     167.076     11.7338     167.076     
1 1 1 27 11 14 o 12.3348 4.31198 -0.719889    0.875123  0.161107     1.08625   11.6376     169.471     4.96194     169.471     
1 1 1 27 11 15 o 15.6896 5.20752 -1.49202     0.865018  3.08853      1.26045   21.5757     71.9087     11.3221     71.9087     
1 1 1 27 11 16 o 13.3466 4.61406 -0.827453    0.947019  1.12262      1.11022   5.0064      299.147     3.09516     299.147     
1 1 1 27 11 17 o 16.4805 5.49576 2.3106       1.21623   0.82776      1.32968   21.2325     53.538      1.33228     53.538      
1 1 1 27 11 18 o 13.4438 4.60356 0.720267     0.935065  -0.123491    1.10466   12.9823     254.662     7.62767     254.662     
1 1 1 27 11 19 f 13.0375 4.50551 -0.916434    0.864032  1.2329       1.06324   9.85679     45.8872     0           0           
1 1 1 27 11 20 o 12.4065 4.29629 0.475588     0.895898  -0.877537    1.03435   13.8675     16.6201     1.66139     196.62      
1 1 1 27 11 21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 11 22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 12 0  o 9.84458 5.01607 -0.828755    1.27975   -0.828755    1.27975   8.8918      270         6.07877     90          
1 1 1 27 12 1  o 15.0076 5.21316 1.21703      1.39502   -0.010007    1.42475   12.9387     7.87587     7.94168     7.87587     
1 1 1 27 12 2  o 14.2805 4.99374 1.16987      1.46387   -0.500819    1.15195   17.9839     10.3788     4.94418     10.3788     
1 1 1 27 12 3  o 12.7469 4.45838 -0.735913    1.45033   -0.121499    0.833025  13.4593     343.651     5.01217     343.651     
1 1 1 27 12 4  o 17.3426 5.01618 -0.588742    0.895773  2.24497      0.879201  21.3845     135.267     15.2786     135.267     
1 1 1 27 12 5  f 15.121  4.92743 1.61604      0.979328  -0.388709    0.879281  19.2271     127.672     0           0           
1 1 1 27 12 6  o 17.9613 5.59715 1.60985      1.055     1.5486       0.977959  26.1796     87.0576     16.3002     87.0576     
1 1 1 27 12 7  o 17.7042 5.47024 0.832478     0.945842  2.00978      1.00246   26.4249     352.546     10.2305     352.546     
1 1 1 27 12 8  o 11.78   4.07517 0.0582957    0.839084  -0.853159    0.823989  7.72527     241.818     3.32117     241.818     
1 1 1 27 12 9  o 12.8176 4.3399  -0.315153    0.824353  0.389973     0.829572  13.0986     240.558     4.42287     60.5578     
1 1 1 27 12 10 o 11.0986 3.8825  -1.14538     0.809585  -0.202037    0.833245  10.0085     200.4       4.77588     20.3995     
1 1 1 27 12 11 o 11.9501 4.12641 -1.34393     0.873973  0.411229     0.845283  11.4422     207.908     4.36522     207.908     
1 1 1 27 12 12 o 12.1362 4.1978  0.131866     0.884121  -0.624062    0.880567  13.6062     116.611     2.23173     116.611     
1 1 1 27 12 13 o 11.0458 3.88506 -2.25629     0.860991  0.267178     0.857458  10.8718     32.8554     2.01273     32.8554     
1 1 1 27 12 14 o 15.5806 5.0769  -0.381787    1.11454   1.9155       0.997539  15.9491     290.915     10.7593     290.915     
1 1 1 27 12 15 o 11.819  4.10962 -2.32599     0.835241  0.923161     0.895501  8.61272     61.2417     4.35796     61.2417     
1 1 1 27 12 16 f 15.2638 4.9973  1.64183      0.994543  0.362003     0.890478  9.11114     255.728     0           0           
1 1 1 27 12 17 o 12.7986 4.3861  -0.771263    0.944439  0.780975     0.906063  15.6314     152.678     2.15804     152.678     
1 1 1 27 12 18 o 14.96   4.96106 1.44603      1.03003   0.465225     0.903277  14.2177     307.012     9.8184      307.012     
1 1 1 27 12 19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 12 20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 13 0  o 23.3073 8.03996 2.6665       1.14468   2.6665       1.14468   37.6533     90          31.7168     90          
1 1 1 27 13 1  o 11.6226 4.10586 -2.29388     1.41923   -0.358882    0.824703  11.6319     150.792     1.61243     330.792     
1 1 1 27 13 2  o 12.0958 4.28143 -0.664802    1.31373   -0.756379    0.910475  11.0661     201.11      4.13013     201.11      
1 1 1 27 13 3  o 14.2125 4.79798 -0.875103    1.07401   1.22877      1.00942   15.3443     116.162     8.38015     116.162     
1 1 1 27 13 4  o 15.0799 5.08857 1.30151      1.2713    0.396885     0.915393  18.3039     213.737     10.0944     213.737     
1 1 1 27 13 5  o 13.9018 4.67422 -0.09848     0.933908  0.78454      0.925841  17.0129     51.6367     7.59413     51.6367     
1 1 1 27 13 6  o 12.5944 4.28694 0.428246     0.839672  -0.497359    0.824301  12.8066     355.642     5.64736     355.642     
1 1 1 27 13 7  o 15.4715 5.05163 0.791626     0.93233   1.06781      0.962429  20.9953     97.4997     5.49771     97.4997     
1 1 1 27 13 8  o 11.3244 3.95336 -0.562636    0.825383  -0.470398    0.855679  9.5535      330.413     7.58986     150.413     
1 1 1 27 13 9  o 12.7476 4.3618  -0.040478    0.859788  0.166238     0.903482  15.1645     257.331     3.17252     257.331     
1 1 1 27 13 10 o 17.7895 5.51471 1.21841      0.969301  2.02         1.00106   12.7365     225.742     9.73043     225.742     
1 1 1 27 13 11 o 14.2369 4.71851 -0.0291298   0.904586  1.13625      0.894804  8.78504     33.054      5.8413      33.054      
1 1 1 27 13 12 o 13.1313 4.44557 0.827667     0.890995  -0.329361    0.841329  7.55281     203.456     4.68874     203.456     
1 1 1 27 13 13 o 12.7319 4.33038 0.716574     0.85818   -0.502968    0.840202  15.3548     182.812     1.95024     182.812     
1 1 1 27 13 14 o 12.4393 4.24749 -0.182586    0.840013  0.325481     0.821277  14.0063     292.156     6.62233     292.156     
1 1 1 27 13 15 o 12.3096 4.21637 0.226516     0.802672  -0.211186    0.873824  9.93052     268.144     5.7324      268.144     
1 1 1 27 13 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 13 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 13 18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 14 0  o 8.91973 4.42336 -0.244894    0.776004  -0.244894    0.776004  6.2237      270         10.0748     90          
1 1 1 27 14 1  o 11.7866 4.09971 -0.477787    0.794714  -0.145459    0.939929  10.8174     267.127     4.46127     267.127     
1 1 1 27 14 2  o 11.65   4.07337 -0.734421    0.805913  -0.0812375   0.962699  12.5117     263.696     0.559983    263.696     
1 1 1 27 14 3  o 12.3676 4.34209 0.508519     1.10214   -1.18852     0.943446  2.73092     106.605     1.54594     106.605     
1 1 1 27 14 4  o 15.939  5.2524  -0.846286    1.23922   2.39443      1.13693   20.881      5.61652     2.69695     5.61652     
1 1 1 27 14 5  o 15.8356 5.21404 1.02728      1.24503   1.29796      0.93649   16.2593     254.985     11.0011     254.985     
1 1 1 27 14 6  o 14.1809 4.84062 0.324929     1.31474   0.744508     0.934776  16.4779     100.924     1.49593     280.924     
1 1 1 27 14 7  o 13.1175 4.45777 0.692065     0.895189  -0.251691    0.890228  15.0952     181.053     7.37984     181.053     
1 1 1 27 14 8  o 11.9402 4.10993 0.653605     0.852925  -1.02895     0.747589  8.86542     89.3006     4.6489      89.3006     
1 1 1 27 14 9  o 10.3734 3.63751 -0.505375    0.696435  -0.817255    0.795527  9.92964     200.191     2.11975     20.1909     
1 1 1 27 14 10 o 17.4126 5.34761 1.04756      0.879927  1.96497      0.939506  20.0282     95.681      14.9112     95.681      
1 1 1 27 14 11 o 16.0976 5.09613 0.245087     0.93222   1.91744      0.934726  24.004      232.12      10.5968     232.12      
1 1 1 27 14 12 o 14.7123 4.80485 0.442164     0.844135  1.15577      0.882198  20.8357     116.915     10.5152     116.915     
1 1 1 27 14 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 14 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 14 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 15 0  f 10.4571 5.04682 0.220793     0.851345  0.220793     0.851345  4.12165     270         0           0           
1 1 1 27 15 1  o 11.5707 3.97553 -0.965792    0.703264  0.493919     0.786608  12.6727     171.186     4.40473     171.186     
1 1 1 27 15 2  o 12.0844 4.11352 -0.764498    0.769763  0.564676     0.780043  14.394      136.188     3.84017     136.188     
1 1 1 27 15 3  o 15.585  5.05981 0.850643     0.869107  1.34805      0.988365  11.921      75.9179     8.5779      75.9179     
1 1 1 27 15 4  o 13.1472 4.46993 0.294757     0.821943  0.293179     0.969344  16.5102     171.061     3.3475      171.061     
1 1 1 27 15 5  o 17.3084 5.59215 1.72888      1.18768   1.88812      1.07382   20.1142     51.5722     4.38136     231.572     
1 1 1 27 15 6  o 15.6186 4.90229 -1.1993      1.18025   1.90152      0.870424  23.1228     267.283     12.9419     267.283     
1 1 1 27 15 7  f 12.0153 4.18343 -0.118459    1.0664    -0.233444    0.765848  7.55621     146.019     0           0           
1 1 1 27 15 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 15 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 15 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 15 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 27 16 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 0  0  o 14.2836 6.77969 0.241658     1.41441   0.241658     1.41441   1.2045      180         42.2174     360         
1 1 1 28 0  1  o 9.01443 4.52103 -0.536037    0.8875    -0.536037    0.8875    10.1777     90          0.495756    90          
1 1 1 28 0  2  o 11.8296 5.58035 0.398713     0.932291  0.398713     0.932291  7.21356     360         4.50728     360         
1 1 1 28 0  3  o 30.7079 7.74154 3.32129      1.12361   3.32129      1.12361   58.4242     90          20.461      90          
1 1 1 28 0  4  o 11.6201 5.52934 0.335078     0.951842  0.335078     0.951842  3.15977     360         1.96632     360         
1 1 1 28 0  5  o 8.56374 4.34251 -0.804222    0.90964   -0.804222    0.90964   7.6475      90          0.84449     90          
1 1 1 28 0  6  o 14.0261 6.27761 0.935433     0.980906  0.935433     0.980906  2.07924     180         1.53024     180         
1 1 1 28 0  7  o 21.0441 7.55711 2.0948       1.03037   2.0948       1.03037   49.0486     90          35.6792     90          
1 1 1 28 0  8  o 12.2848 5.79111 0.534309     1.00108   0.534309     1.00108   19.2499     360         2.27197     360         
1 1 1 28 0  9  o 9.2044  4.61978 -0.499584    0.932828  -0.499584    0.932828  10.159      90          5.43619     270         
1 1 1 28 0  10 o 11.5963 5.66003 0.258537     1.14211   0.258537     1.14211   8.26923     360         19.3306     180         
1 1 1 28 0  11 o 22.9429 8.43463 2.94108      1.30285   2.94108      1.30285   49.513      270         28.1723     270         
1 1 1 28 0  12 o 12.3119 5.85015 0.588795     1.05839   0.588795     1.05839   19.0663     180         2.94685     180         
1 1 1 28 0  13 o 8.62822 4.39573 -0.874301    0.981325  -0.874301    0.981325  3.9898      90.0001     0.499188    90.0001     
1 1 1 28 0  14 o 11.572  5.54864 0.396814     0.994728  0.396814     0.994728  16.8716     180         4.17892     180         
1 1 1 28 0  15 o 12.966  5.98149 0.80091      0.981063  0.80091      0.981063  9.90411     270         6.18696     270         
1 1 1 28 0  16 o 11.5786 5.56342 0.423436     1.01074   0.423436     1.01074   12.0874     180         5.46103     180         
1 1 1 28 0  17 o 11.8289 5.63574 0.512614     0.994664  0.512614     0.994664  7.29968     270         3.84255     270         
1 1 1 28 0  18 f 7.95802 4.08031 -1.06789     0.91503   -1.06789     0.91503   10.6451     180         0           0           
1 1 1 28 0  19 o 7.87482 4.06976 -1.46795     1.02235   -1.46795     1.02235   3.364       270         1.13287     90          
1 1 1 28 0  20 o 10.0075 5.00449 -0.172512    1.06074   -0.172512    1.06074   4.94277     0           1.8812      0           
1 1 1 28 0  21 o 9.74395 4.92137 -0.361088    1.12213   -0.361088    1.12213   8.25079     270         2.49372     270         
1 1 1 28 0  22 o 13.7768 6.35922 1.23001      1.11119   1.23001      1.11119   6.12648     180         4.30758     180         
1 1 1 28 0  23 o 6.39572 3.35247 -2.45518     0.933761  -2.45518     0.933761  2.64564     270         4.55584     90          
1 1 1 28 0  24 o 9.46578 4.86889 -0.944863    1.36138   -0.944863    1.36138   6.65526     360         2.63175     360         
1 1 1 28 0  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 1  0  o 17.2144 7.2245  1.61874      1.12073   1.61874      1.12073   8.31543     8.70647e-06 37.4175     180         
1 1 1 28 1  1  o 12.3543 4.26746 -0.638588    0.900877  -0.15226     0.902903  16.5696     213.263     2.27016     213.263     
1 1 1 28 1  2  f 15.0799 4.95047 -0.459985    0.96807   1.28631      0.974947  22.2838     155.571     0           0           
1 1 1 28 1  3  o 13.2962 4.51597 -0.187108    0.911353  0.180807     0.903081  15.064      339.823     9.35144     339.823     
1 1 1 28 1  4  o 16.2601 5.08597 2.14292      1.01251   -1.23364     0.93638   21.8397     65.5602     2.16695     245.56      
1 1 1 28 1  5  o 13.5997 4.62094 -0.345043    0.929179  0.470543     0.972356  20.251      330.446     7.51832     330.446     
1 1 1 28 1  6  f 13.1232 4.48337 -1.37913     0.920924  0.787351     0.959983  8.78924     159.78      0           0           
1 1 1 28 1  7  o 15.8367 5.07353 1.66253      0.968896  -0.401168    0.973032  10.6648     200.21      8.09578     200.21      
1 1 1 28 1  8  o 12.3233 4.30238 -0.803625    0.986825  -0.245025    1.00393   13.4013     155.627     6.3923      335.627     
1 1 1 28 1  9  f 14.5996 4.93959 0.504042     1.07774   0.445646     1.04234   15.5881     10.8428     0           0           
1 1 1 28 1  10 o 12.2586 4.28581 0.15923      1.01123   -1.31135     0.973825  6.10293     349.944     22.409      169.944     
1 1 1 28 1  11 o 13.9739 4.7777  0.541982     1.10012   0.0645491    0.998422  19.3127     309.988     2.37837     309.988     
1 1 1 28 1  12 o 12.9953 4.47163 -2.34317     0.959994  1.20452      1.00464   15.9951     304.982     1.88843     124.982     
1 1 1 28 1  13 o 14.426  4.83121 -1.73915     1.0241    1.75944      1.04964   19.4304     165.47      0.938784    165.47      
1 1 1 28 1  14 o 12.0075 4.20101 0.240272     0.971747  -1.43939     0.952899  4.74189     332.769     2.68421     332.769     
1 1 1 28 1  15 o 13.4553 4.55605 -1.48665     0.976482  1.19594      0.94856   17.9681     257.769     3.00264     257.769     
1 1 1 28 1  16 o 14.4725 4.89969 0.456701     1.01942   0.820458     1.07132   17.6652     311.142     10.1076     311.142     
1 1 1 28 1  17 o 17.422  5.39756 -1.20098     1.07847   3.16309      1.14413   28.1351     312.336     16.8498     312.336     
1 1 1 28 1  18 f 15.715  5.17829 0.219407     1.02738   1.80937      1.07907   8.55912     163.212     0           0           
1 1 1 28 1  19 o 12.7467 4.41334 0.741239     0.992597  -1.03398     0.978623  13.8938     17.5624     7.02431     17.5624     
1 1 1 28 1  20 o 15.8247 5.28457 0.344784     1.01172   2.32415      1.2337    21.7969     301.709     2.03818     301.709     
1 1 1 28 1  21 o 13.8077 4.75022 -0.216116    1.01252   1.29816      1.13034   10.9971     340.424     7.13762     340.424     
1 1 1 28 1  22 o 12.6649 4.45746 0.46349      1.1751    -0.4785      1.1148    14.6347     294.622     3.06966     114.622     
1 1 1 28 1  23 o 14.821  5.0114  2.67971      1.17188   -2.5589      1.29305   20.8712     281.292     3.69821     281.292     
1 1 1 28 1  24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 1  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 2  0  o 13.54   6.09757 0.812183     0.942251  0.812183     0.942251  21.7203     180         2.23116     180         
1 1 1 28 2  1  o 12.6623 4.37344 -0.587083    0.927056  -0.0594627   0.960707  10.9834     210.792     13.357      30.7918     
1 1 1 28 2  2  o 15.6084 5.10318 0.190867     0.974502  1.20751      0.997756  21.5601     239.409     0.0119125   239.403     
1 1 1 28 2  3  o 12.1635 4.20532 0.00304722   0.867343  -0.998688    0.918387  13.503      109.971     7.43941     109.971     
1 1 1 28 2  4  o 11.1187 3.92506 -0.807989    0.902758  -1.3727      0.952741  12.8039     106.173     5.28568     106.173     
1 1 1 28 2  5  o 13.3733 4.59233 0.0625957    1.00762   -0.181039    0.99527   19.4973     70.4199     6.1818      70.4199     
1 1 1 28 2  6  o 14.0343 4.74518 -0.437412    0.969297  0.805684     0.999536  21.2474     66.607      7.67965     66.607      
1 1 1 28 2  7  o 11.2776 3.98155 -1.13666     0.957939  -0.885588    0.946857  4.18103     42.1508     2.43597     42.1508     
1 1 1 28 2  8  o 12.8994 4.45876 0.128683     0.989828  -0.58514     0.991299  17.7493     101.911     8.9286      101.911     
1 1 1 28 2  9  o 13.7294 4.66712 -0.0880959   0.986379  0.447232     0.965941  15.0738     296.305     9.72069     296.305     
1 1 1 28 2  10 o 14.6435 4.90937 1.24847      1.04809   -0.28023     0.967356  21.3976     51.3789     4.65282     51.3789     
1 1 1 28 2  11 o 13.5269 4.60556 0.932161     0.995142  -0.749104    0.922164  14.9274     309.663     6.96504     129.663     
1 1 1 28 2  12 o 11.9564 4.19277 0.278444     0.986077  -1.70311     0.96011   13.5034     5.60962     6.18176     5.60961     
1 1 1 28 2  13 f 12.4954 4.38055 -0.997578    0.989753  0.187832     1.10867   11.1719     260.874     0           0           
1 1 1 28 2  14 o 12.7997 4.47162 -0.423775    1.08584   -0.073561    1.08075   11.3474     215.021     11.8264     35.021      
1 1 1 28 2  15 o 11.8142 4.15076 0.106082     0.957452  -1.71889     1.04593   11.3005     51.6655     4.92915     51.6655     
1 1 1 28 2  16 o 12.7208 4.41646 -0.0214746   1.00303   -0.191412    1.0029    15.603      295.272     0.959352    295.272     
1 1 1 28 2  17 f 12.8833 4.46311 0.248009     0.994603  -0.36989     1.02844   10.4582     286.262     0           0           
1 1 1 28 2  18 o 10.8447 3.84598 -1.44781     0.966092  -0.681104    0.912997  10.9055     176.284     2.52501     176.284     
1 1 1 28 2  19 f 9.8891  3.5415  -0.874925    0.887826  -2.26151     0.891919  11.9635     285.749     0           0           
1 1 1 28 2  20 o 11.4501 4.0321  -0.964062    0.976609  -0.253555    0.931737  9.5854      73.9846     4.57966     73.9846     
1 1 1 28 2  21 o 12.1361 4.24091 -0.463214    0.979782  0.110092     0.974241  15.4654     63.0392     4.38049     63.0392     
1 1 1 28 2  22 o 12.6861 4.46706 0.0241689    1.04179   0.00582346   1.30564   15.1464     3.84818     1.80696     183.848     
1 1 1 28 2  23 o 12.028  4.25749 0.0499759    1.04801   -1.12069     1.25158   15.5543     355.452     5.53537     355.452     
1 1 1 28 2  24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 2  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 3  0  o 11.1233 5.40198 0.136388     1.00987   0.136388     1.00987   16.8586     180         3.77086     180         
1 1 1 28 3  1  o 15.9901 5.18865 1.93148      1.08041   -0.732641    1.0181    26.4159     226.655     12.4075     226.655     
1 1 1 28 3  2  o 13.6727 4.68296 0.321243     1.03755   -0.268685    1.01016   18.7228     186.748     10.6705     186.748     
1 1 1 28 3  3  o 15.1061 4.99509 1.444        1.03633   -0.560362    0.979157  23.7001     286.536     8.57627     286.536     
1 1 1 28 3  4  o 11.8876 4.16748 -0.478167    0.966715  -1.00604     0.976709  12.7007     129.151     6.33551     309.151     
1 1 1 28 3  5  o 13.8702 4.74017 0.382564     1.05794   -0.0853148   1.00778   18.1061     84.3369     11.0365     84.3369     
1 1 1 28 3  6  f 10.6471 3.78431 -1.51405     0.949094  -1.19758     0.916188  10.2137     203.182     0           0           
1 1 1 28 3  7  o 13.6457 4.66668 0.586964     1.02656   -0.454096    0.991895  7.80953     24.3752     5.39009     24.3752     
1 1 1 28 3  8  o 13.7846 4.67584 1.01354      0.993825  -1.02403     0.996678  10.4259     162.254     7.1161      162.254     
1 1 1 28 3  9  o 14.4923 4.87803 1.31953      1.05325   -0.65911     1.00612   20.7836     223.607     3.63831     223.607     
1 1 1 28 3  10 o 16.1455 5.14615 -0.512658    0.965161  2.07874      1.02171   11.6875     112.463     8.81049     112.463     
1 1 1 28 3  11 o 15.0237 4.99233 -0.719003    1.00842   1.7281       1.06477   22.2477     342.417     5.77543     342.417     
1 1 1 28 3  12 o 16.1384 5.25188 0.479882     0.990422  1.67628      1.05739   25.7939     19.0962     11.8426     19.0962     
1 1 1 28 3  13 o 13.3993 4.60622 0.543978     1.02766   -0.352976    1.00439   17.9802     215.549     3.10755     215.549     
1 1 1 28 3  14 o 13.111  4.53493 0.735409     1.03145   -1.06141     1.0531    17.3833     358.944     5.10032     358.944     
1 1 1 28 3  15 o 14.4372 4.8929  0.89438      1.03587   0.274415     1.08105   20.2138     318.746     5.45022     318.746     
1 1 1 28 3  16 o 15.0537 5.04272 0.834875     1.01606   0.891976     1.08562   21.4871     117.868     5.94966     117.868     
1 1 1 28 3  17 o 14.3795 4.83796 1.12571      1.00878   -0.021907    0.988122  19.692      317.689     9.77508     317.689     
1 1 1 28 3  18 o 11.9445 4.18875 -1.70059     0.885565  0.613864     0.993535  14.1462     278.83      4.14292     278.83      
1 1 1 28 3  19 o 14.0259 4.73729 -0.0602233   0.934853  1.14528      1.00195   19.0396     317.29      9.74809     317.29      
1 1 1 28 3  20 o 12.8484 4.4401  -0.801346    0.936217  0.906375     1.00586   14.7764     119.504     3.41803     299.504     
1 1 1 28 3  21 o 10.1763 3.64918 -1.41239     0.863559  -1.34934     1.07034   10.5417     67.579      1.68399     67.579      
1 1 1 28 3  22 o 19.318  6.02355 1.6444       1.1206    3.81519      1.2838    33.7512     312.738     20.9727     312.738     
1 1 1 28 3  23 o 12.4802 4.34623 -0.34931     0.947997  0.452097     1.02579   9.85707     153.071     6.15904     153.071     
1 1 1 28 3  24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 3  25 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 4  0  o 7.41205 3.84051 -1.72151     0.951122  -1.72151     0.951122  5.74168     1.93633e-05 5.36409     180         
1 1 1 28 4  1  o 14.2414 4.82886 -0.348451    1.00719   0.850481     1.05289   17.6067     298.553     11.3861     298.553     
1 1 1 28 4  2  o 12.7344 4.41733 -0.620584    0.987344  -0.0425819   1.00422   17.386      323.506     2.67625     323.506     
1 1 1 28 4  3  o 13.3467 4.59027 0.0566042    1.01921   -0.148191    1.00233   13.347      196.935     10.3838     16.9346     
1 1 1 28 4  4  o 15.6766 5.10125 -0.550334    0.990323  1.76495      1.03804   18.2703     97.4122     13.1632     97.4122     
1 1 1 28 4  5  o 18.5031 5.65821 0.723536     1.02518   2.36059      1.06854   31.7804     272.592     22.4532     272.592     
1 1 1 28 4  6  o 15.6846 5.13404 1.4118       1.02583   0.202606     0.981035  19.7763     255.383     13.9068     255.383     
1 1 1 28 4  7  o 14.8416 4.93704 -0.105243    0.970296  1.18924      1.00906   16.2442     350.848     11.2044     350.848     
1 1 1 28 4  8  f 14.7439 4.9284  0.202293     0.968086  0.969902     1.02092   3.19358     275.647     0           0           
1 1 1 28 4  9  o 16.4386 5.1288  2.24513      0.995456  -0.986469    1.02084   18.118      335.357     13.4739     335.357     
1 1 1 28 4  10 o 12.1608 4.23369 -0.852599    0.922752  0.0410232    0.954683  9.77311     65.5464     5.52605     65.5464     
1 1 1 28 4  11 o 13.4704 4.5729  0.95853      0.957429  -0.874033    0.936172  18.9232     84.426      5.81328     84.426      
1 1 1 28 4  12 o 12.6378 4.35832 -1.77762     0.919803  0.884131     0.957776  16.4476     149.374     3.10654     149.374     
1 1 1 28 4  13 o 17.0762 5.32029 -0.172232    1.00599   2.41039      1.0358    23.7084     77.246      0.654293    77.246      
1 1 1 28 4  14 o 10.0999 3.61099 -0.330702    0.863552  -2.96706     0.880465  5.5442      172.251     1.6441      172.251     
1 1 1 28 4  15 o 14.1297 4.77324 0.996789     1.00001   -0.0652715   0.97991   15.0469     141.619     8.81477     141.619     
1 1 1 28 4  16 o 13.911  4.74385 0.793182     1.01654   -0.0633918   1.0494    18.8479     331.583     7.86142     331.583     
1 1 1 28 4  17 o 10.1046 3.61306 -1.71922     0.879444  -1.19999     0.942469  9.14691     325.85      1.12339     325.85      
1 1 1 28 4  18 o 12.0797 4.20431 -0.498839    0.895973  0.0324376    0.949529  7.70675     85.1473     4.23516     85.1473     
1 1 1 28 4  19 o 11.7438 4.12895 -1.74102     1.00243   0.374097     0.964541  14.2008     189.518     2.14426     189.518     
1 1 1 28 4  20 o 12.5499 4.39294 -0.479339    1.00224   0.40648      1.0992    10.5826     141.267     6.13081     141.267     
1 1 1 28 4  21 o 11.5796 4.10946 -1.09949     0.933339  0.0833683    1.12451   11.2674     340.478     5.56451     340.478     
1 1 1 28 4  22 o 11.9223 4.20228 -1.30109     0.946041  0.577771     1.0541    13.8574     107.737     2.08262     287.737     
1 1 1 28 4  23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 4  24 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 5  0  o 8.02574 4.08484 -0.870829    0.838123  -0.870829    0.838123  6.182       180         0.0589838   9.03057e-06 
1 1 1 28 5  1  o 14.2529 4.76185 -0.0677946   0.925986  0.796105     0.94063   18.8962     14.8081     0.769338    194.808     
1 1 1 28 5  2  o 11.347  3.96416 -0.567639    0.825993  -0.771952    0.879761  13.2569     264.229     5.9043      264.229     
1 1 1 28 5  3  o 11.389  3.98963 -0.862148    0.862844  -0.568773    0.899707  10.1949     6.24835     10.2791     186.248     
1 1 1 28 5  4  o 13.8111 4.67661 0.165289     0.942407  0.33725      0.965946  20.0884     271.029     10.4866     271.029     
1 1 1 28 5  5  o 14.5948 4.85858 0.861429     0.981504  0.221536     0.910911  21.7407     38.0638     5.85659     38.0638     
1 1 1 28 5  6  o 12.7965 4.38998 -0.653896    0.893995  0.402222     0.927589  10.9324     195.408     6.77412     195.408     
1 1 1 28 5  7  o 17.3787 5.48752 0.931103     1.02645   1.85229      1.02872   29.5055     88.7598     15.0141     88.7598     
1 1 1 28 5  8  o 13.3891 4.55116 0.657482     0.935688  -0.447536    0.932355  16.317      208.944     9.3449      208.944     
1 1 1 28 5  9  o 14.0175 4.69321 1.37281      0.973003  -1.15573     0.933951  17.4392     99.3203     2.55445     279.32      
1 1 1 28 5  10 o 13.1404 4.4652  1.12631      0.944921  -1.51774     0.871991  16.1952     184.002     8.48789     184.002     
1 1 1 28 5  11 o 12.8707 4.42934 0.0294799    0.930854  -0.093479    0.961646  16.6973     275.734     6.72531     275.734     
1 1 1 28 5  12 o 11.996  4.16861 -0.623896    0.859972  -0.0410206   0.927145  14.6156     284.15      3.34095     284.15      
1 1 1 28 5  13 f 15.3573 5.05619 0.708453     0.973317  1.12569      0.989017  6.23854     287.457     0           0           
1 1 1 28 5  14 o 15.0916 5.00611 0.641665     0.974723  1.06042      1.00641   21.8718     106.62      10.188      106.62      
1 1 1 28 5  15 o 12.5975 4.36111 -0.765756    0.936248  0.432354     0.97226   14.8648     179.746     1.11653     359.746     
1 1 1 28 5  16 o 10.9484 3.89749 -2.00384     0.853452  -0.0484711   0.993284  10.9001     331.598     2.87367     331.598     
1 1 1 28 5  17 o 16.5995 5.43331 1.42548      1.0209    1.63352      1.20554   19.5772     197.284     13.6495     197.284     
1 1 1 28 5  18 o 12.4844 4.42086 -0.609285    0.969647  0.158327     1.37261   15.8187     139.573     4.63764     139.573     
1 1 1 28 5  19 o 13.0574 4.57688 0.409662     1.13381   -0.237948    1.22239   14.0435     170.835     6.02492     350.835     
1 1 1 28 5  20 o 11.7598 4.16112 -0.0792214   1.04395   -1.0116      1.09689   14.3184     158.858     1.07214     158.858     
1 1 1 28 5  21 o 13.0829 4.5191  0.728992     1.01042   -0.148939    1.01846   18.0772     120.308     7.74016     120.308     
1 1 1 28 5  22 o 10.5647 3.7837  -2.32359     0.900772  -0.0585863   0.99236   11.8507     78.909      3.80387     78.909      
1 1 1 28 5  23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 6  0  o 13.9042 6.25907 0.970053     0.991651  0.970053     0.991651  2.81835     5.69945e-05 2.03189     5.69945e-05 
1 1 1 28 6  1  o 13.2404 4.50741 -0.0730684   0.88983   0.27243      0.935222  12.1046     218.529     7.69206     218.529     
1 1 1 28 6  2  o 11.9878 4.13396 -1.93951     0.855433  0.600347     0.857414  9.99676     348.852     5.7218      348.852     
1 1 1 28 6  3  o 12.7248 4.37387 0.379767     0.916691  -0.754974    0.932274  13.8147     311.495     7.89278     311.495     
1 1 1 28 6  4  o 12.6312 4.34044 -0.0790631   0.920997  -0.131512    0.875779  14.3504     227.038     7.85447     227.038     
1 1 1 28 6  5  o 11.509  4.03242 -0.171763    0.911808  -1.1797      0.884554  13.6798     358.585     4.96598     358.585     
1 1 1 28 6  6  o 11.8999 4.13238 -1.60513     0.859705  0.437957     0.894052  14.2426     177.18      5.93054     177.18      
1 1 1 28 6  7  o 12.4645 4.29625 -0.00262284  0.881716  -0.353996    0.923163  15.9942     184.332     6.51771     184.332     
1 1 1 28 6  8  o 12.3956 4.28681 -0.101194    0.919214  -0.343235    0.915182  15.7638     170.241     1.75833     170.241     
1 1 1 28 6  9  o 13.5269 4.58929 -0.16736     0.907749  0.62152      0.951657  17.2599     17.3608     8.98371     17.3608     
1 1 1 28 6  10 o 12.5371 4.31845 0.309632     0.899727  -0.675257    0.928252  15.8849     41.7899     5.46722     41.7899     
1 1 1 28 6  11 o 16.2094 5.22306 1.59712      0.994125  0.652671     0.971749  25.0209     22.2439     13.8714     22.2439     
1 1 1 28 6  12 o 14.512  4.91526 0.285192     0.974778  1.03348      1.12031   17.6028     129.277     2.90849     309.277     
1 1 1 28 6  13 o 14.0671 4.79087 0.306905     0.921007  0.687444     1.14136   15.8114     166.428     8.94868     166.428     
1 1 1 28 6  14 o 13.3398 4.57077 -1.01616     0.939315  1.07927      1.0185    15.5677     81.9972     7.89789     81.9972     
1 1 1 28 6  15 o 13.7674 4.67384 1.37337      1.02321   -0.974178    0.934804  12.163      169.256     7.4846      169.256     
1 1 1 28 6  16 o 13.7756 4.66553 1.44964      1.00911   -0.987343    0.931278  10.9866     181.718     6.98256     181.718     
1 1 1 28 6  17 o 13.1664 4.60093 -0.316177    1.08926   0.567532     1.18662   17.1758     204.877     2.74198     204.877     
1 1 1 28 6  18 o 13.1475 4.58686 0.00452184   1.0867    0.418815     1.15834   12.9528     260.413     7.60071     260.413     
1 1 1 28 6  19 o 12.1358 4.27222 -0.57137     0.985524  0.137947     1.11113   13.3811     260.813     4.02225     80.813      
1 1 1 28 6  20 o 13.7077 4.60593 1.44845      0.924641  -0.920811    0.994179  19.8763     173.833     8.82367     173.833     
1 1 1 28 6  21 o 11.8936 4.15478 0.546418     0.938853  -1.17962     0.920325  12.7991     127.936     6.88787     127.936     
1 1 1 28 6  22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 6  23 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 7  0  o 12.1119 5.6744  0.559784     0.936576  0.559784     0.936576  12.881      6.02525e-05 7.37234     6.02526e-05 
1 1 1 28 7  1  o 11.5007 4.01926 -1.32378     0.862472  0.0143435    0.883154  12.92       248.363     5.07657     248.363     
1 1 1 28 7  2  o 15.6041 5.08479 0.204913     0.97473   1.47504      0.984457  21.3857     6.56699     0.720667    6.56699     
1 1 1 28 7  3  o 13.7602 4.64481 0.309636     0.919851  0.332808     0.931805  17.9884     63.2293     9.88644     63.2293     
1 1 1 28 7  4  o 17.1327 5.28909 2.31929      1.01467   -0.0622156   0.919036  28.8265     353.439     15.6207     353.439     
1 1 1 28 7  5  o 13.4348 4.56522 -0.0777193   0.919925  0.454304     0.937775  17.308      278.676     0.288669    278.676     
1 1 1 28 7  6  o 14.8648 4.98603 0.890664     0.958279  0.411782     1.16482   22.0363     304.716     8.18264     304.716     
1 1 1 28 7  7  o 14.6641 4.93656 0.828743     0.959828  0.360184     1.1525    21.4368     40.958      8.07604     40.958      
1 1 1 28 7  8  o 13.6396 4.61915 -0.708177    0.890418  1.09369      0.982781  13.5666     21.748      8.06932     21.748      
1 1 1 28 7  9  o 14.2826 4.81838 0.355474     0.982959  0.720498     1.00425   18.674      219.722     9.95148     219.722     
1 1 1 28 7  10 o 15.1024 4.98243 1.07313      0.964406  0.585588     0.960715  22.066      113.354     10.3927     113.354     
1 1 1 28 7  11 f 17.3186 5.48468 1.91096      1.02339   1.07601      1.04897   14.0972     242.576     0           0           
1 1 1 28 7  12 o 15.2059 5.04311 0.679717     0.982875  1.09024      1.02477   21.5938     294.274     11.5802     294.274     
1 1 1 28 7  13 o 12.591  4.34336 1.04398      0.959901  -1.8959      0.887592  14.2478     349.345     6.48494     349.345     
1 1 1 28 7  14 o 13.4996 4.56226 -1.72914     0.864965  1.5815       0.983499  16.2209     225.459     8.71096     225.459     
1 1 1 28 7  15 o 11.6365 4.09988 -0.525142    0.951885  -0.659111    1.0261    13.1319     94.9064     4.43945     94.9064     
1 1 1 28 7  16 o 11.7813 4.13106 0.733572     0.942376  -2.53108     0.981266  7.39996     178.8       4.01672     178.8       
1 1 1 28 7  17 o 14.3066 4.86276 -0.0314097   1.01055   1.50141      1.09638   10.3468     4.80712     7.02128     4.80712     
1 1 1 28 7  18 o 11.8675 4.15917 -0.325748    0.930751  -0.173488    0.995073  13.0881     140.295     6.25763     140.295     
1 1 1 28 7  19 o 13.0806 4.50143 0.834852     0.961775  -0.388584    1.03405   10.3601     184.933     6.67249     184.933     
1 1 1 28 7  20 o 14.0321 4.75697 -0.560102    0.977598  1.66914      1.0437    14.1976     100.993     9.56828     280.993     
1 1 1 28 7  21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 7  22 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 8  0  o 8.95084 4.57145 -0.957273    1.09301   -0.957273    1.09301   8.2222      3.03694e-06 1.43503     180         
1 1 1 28 8  1  o 14.6681 4.9666  0.673992     1.13278   0.600164     1.02229   16.8816     226.85      10.4587     226.85      
1 1 1 28 8  2  o 15.3939 5.07392 1.23294      0.997786  0.489855     1.00348   23.3205     255.619     11.2001     255.619     
1 1 1 28 8  3  o 13.4058 4.55171 0.792705     0.947078  -0.492414    0.900054  16.6635     11.4577     8.43639     11.4577     
1 1 1 28 8  4  o 10.838  3.81973 -1.42155     0.81535   -0.292388    0.869665  6.08721     238.944     2.58475     238.944     
1 1 1 28 8  5  o 11.3419 3.97416 -1.0379      0.835121  -0.194219    0.899463  12.7635     89.2579     0.329488    89.2579     
1 1 1 28 8  6  o 11.8431 4.12283 -0.511703    0.924265  -0.288583    0.866649  5.414       36.5931     2.82906     36.5931     
1 1 1 28 8  7  o 13.6485 4.63393 -0.212122    0.964622  0.7577       0.957498  17.9744     2.66487     7.68322     2.66487     
1 1 1 28 8  8  o 16.8082 5.33479 1.34987      0.958893  1.29568      0.97359   26.1948     176.494     10.1506     176.494     
1 1 1 28 8  9  o 14.8114 4.90534 -0.154645    0.963274  1.40775      0.982803  5.92024     278.678     4.05509     278.678     
1 1 1 28 8  10 o 17.2716 5.47793 1.7418       1.01218   1.23407      1.04076   27.641      203.361     12.227      203.361     
1 1 1 28 8  11 o 14.574  4.85435 0.83788      0.96975   0.525354     0.924579  20.8783     54.3555     9.33842     54.3555     
1 1 1 28 8  12 o 15.1559 4.98808 1.33965      0.957323  0.34435      0.993288  15.9389     163.702     10.6161     163.702     
1 1 1 28 8  13 o 17.6758 5.56899 2.05809      1.02464   1.37088      1.0869    23.6134     17.4177     16.9626     17.4177     
1 1 1 28 8  14 o 13.7448 4.69795 0.0904176    1.0122    0.812475     1.02646   8.82501     228.139     5.74853     228.139     
1 1 1 28 8  15 o 11.2043 3.97022 -0.0499272   0.955868  -1.89258     1.02968   9.88776     163.351     8.8607      343.351     
1 1 1 28 8  16 o 14.1234 4.81094 0.947001     1.00366   0.498246     1.11195   20.3324     291.648     7.48997     291.648     
1 1 1 28 8  17 o 13.6085 4.64533 -0.258947    1.02353   1.14498      0.99126   17.6289     290.004     0.594002    290.004     
1 1 1 28 8  18 o 12.5152 4.35664 -0.651276    1.00106   0.584907     0.998228  16.5675     267.132     7.1119      267.132     
1 1 1 28 8  19 o 11.4015 4.02646 -1.04543     0.859218  0.10213      1.01528   14.281      196.169     2.53889     196.169     
1 1 1 28 8  20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 8  21 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 9  0  o 6.98785 3.62713 -1.66653     0.875991  -1.66653     0.875991  0.561574    180         0.816769    0.000311466 
1 1 1 28 9  1  o 13.222  4.52876 -0.513636    0.891119  0.763844     1.00261   17.1099     77.5306     5.61527     77.5306     
1 1 1 28 9  2  o 15.0906 4.96254 0.0327746    0.936955  1.45735      0.983694  21.823      189.023     6.91599     189.023     
1 1 1 28 9  3  o 15.2086 4.99127 1.04328      0.949943  0.66648      0.939072  22.328      188.352     8.523       188.352     
1 1 1 28 9  4  o 10.8566 3.82412 -0.522463    0.844684  -1.16771     0.873641  10.2544     208.078     5.28805     28.0778     
1 1 1 28 9  5  o 15.9399 5.19962 0.867428     1.00582   1.32652      1.00326   23.9155     27.4896     12.66       27.4896     
1 1 1 28 9  6  o 12.0305 4.20355 -0.815343    0.96266   -0.0742244   0.955849  9.37812     259.672     12.9439     79.6715     
1 1 1 28 9  7  o 14.0739 4.72596 0.143728     0.979577  0.762102     0.913307  18.0062     158.238     9.5362      158.238     
1 1 1 28 9  8  o 12.3628 4.30122 -1.55194     1.11996   0.389596     0.925243  4.94825     319.715     2.81535     319.715     
1 1 1 28 9  9  o 12.4568 4.371   -0.389714    1.2126    -0.280367    0.952568  10.9947     244.304     5.7242      244.304     
1 1 1 28 9  10 o 12.9745 4.43732 0.630669     0.914859  -0.478408    0.930355  15.0463     230.628     7.62048     230.628     
1 1 1 28 9  11 o 16.775  5.31738 0.017978     0.93607   2.57788      1.08555   26.5091     255.429     10.6972     255.429     
1 1 1 28 9  12 o 13.7548 4.69665 -0.0841868   1.05244   0.904937     0.999807  17.0128     104.492     1.31754     284.492     
1 1 1 28 9  13 o 15.1378 5.069   1.0145       1.03796   1.14805      1.08016   19.6537     306.651     0.529362    126.651     
1 1 1 28 9  14 o 11.1768 3.93801 -1.2418      0.842021  0.091283     0.926231  11.7629     328.758     4.67719     328.758     
1 1 1 28 9  15 o 13.8654 4.72982 0.793831     1.05532   0.533849     0.979123  9.16071     351.439     6.20565     351.439     
1 1 1 28 9  16 o 12.9564 4.46678 0.720916     0.986478  -0.255902    0.961602  15.7065     230.858     1.71222     50.8575     
1 1 1 28 9  17 o 11.1163 3.90052 -0.588398    0.806542  -0.322516    0.897903  7.13944     308.458     3.98456     308.458     
1 1 1 28 9  18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 9  19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 10 0  o 14.4476 6.3169  1.11079      0.934128  1.11079      0.934128  24.8975     180         13.2503     180         
1 1 1 28 10 1  o 11.5354 4.01275 0.358588     0.846374  -1.64926     0.847869  12.5535     12.5302     3.9657      12.5302     
1 1 1 28 10 2  o 12.8373 4.40303 0.0279449    0.894993  0.0674786    0.93172   9.65775     309.291     5.54624     309.291     
1 1 1 28 10 3  o 12.9114 4.40638 -0.24297     0.856357  0.444121     0.911965  10.1876     105.41      5.89269     105.41      
1 1 1 28 10 4  o 10.9497 3.84563 -0.719152    0.839665  -0.668995    0.843111  10.0483     22.5966     3.42609     22.5966     
1 1 1 28 10 5  o 11.7992 4.10268 0.10964      0.859111  -0.977195    0.919104  8.86183     133.412     4.45529     133.412     
1 1 1 28 10 6  o 11.7512 4.10627 -1.13794     0.878     0.21016      0.928688  13.5271     159.959     4.28897     159.959     
1 1 1 28 10 7  o 14.648  4.91887 0.360808     0.960618  1.18282      1.05491   18.6756     64.1025     11.0881     64.1025     
1 1 1 28 10 8  o 13.8977 4.76131 0.286816     0.939201  0.771354     1.16876   19.3579     224.391     7.15476     224.391     
1 1 1 28 10 9  o 10.3154 3.67133 -0.453457    0.829307  -2.63498     1.0355    8.32845     27.0417     2.7639      27.0417     
1 1 1 28 10 10 o 13.3702 4.64173 -0.87927     0.925317  1.43528      1.1668    17.6624     251.7       2.91567     251.7       
1 1 1 28 10 11 o 16.0211 5.21015 2.1523       1.04821   0.302831     1.03619   24.1587     185.703     14.7784     185.703     
1 1 1 28 10 12 o 13.2811 4.48343 1.48651      0.929311  -1.39944     0.879186  14.9961     207.165     8.92445     207.165     
1 1 1 28 10 13 o 12.2629 4.25029 0.192036     0.921293  -0.208971    0.911807  15.1377     65.722      0.251619    65.7221     
1 1 1 28 10 14 o 13.0951 4.45778 0.0996398    0.854819  0.634146     0.925775  13.7654     314.482     8.49257     314.482     
1 1 1 28 10 15 o 15.87   5.21942 1.40839      1.04047   1.37804      1.03792   25.1567     251.147     13.9291     251.147     
1 1 1 28 10 16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 10 17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 11 0  o 12.2824 5.75877 0.687466     0.967703  0.687466     0.967703  18.7477     180         4.66551     180         
1 1 1 28 11 1  o 16.0638 5.22994 0.839692     1.00824   1.64816      1.02199   25.0007     305.719     12.8023     305.719     
1 1 1 28 11 2  o 17.8376 5.48142 3.03202      1.10006   -0.105654    1.06491   29.6017     148.56      18.5335     148.56      
1 1 1 28 11 3  o 14.7708 4.93186 0.759229     0.977598  0.946388     1.00058   1.11937     147.21      0.794406    147.21      
1 1 1 28 11 4  o 11.7426 4.10202 -1.43609     0.868989  0.474007     0.921121  14.1069     315.908     1.52425     315.908     
1 1 1 28 11 5  o 11.2898 3.97412 -0.898028    0.927829  -0.349751    0.912282  6.73923     33.1102     3.43103     33.1102     
1 1 1 28 11 6  o 11.733  4.09458 -0.758461    0.910083  0.0564728    0.894365  12.894      274.601     3.19693     94.6012     
1 1 1 28 11 7  o 11.4422 4.00659 -0.689189    0.864326  -0.144596    0.902697  4.80893     23.1973     2.6497      23.1973     
1 1 1 28 11 8  o 12.4933 4.3283  0.0512114    0.952999  0.0376745    0.942135  15.9456     93.1644     2.11215     93.1644     
1 1 1 28 11 9  o 16.3325 5.28999 1.75502      0.999178  1.18451      1.05001   25.4671     122.176     15.4417     122.176     
1 1 1 28 11 10 o 11.8781 4.13753 0.0433348    0.881945  -0.455047    0.937109  15.0809     33.5415     4.54955     33.5415     
1 1 1 28 11 11 o 12.4432 4.30457 -0.350611    0.844883  0.51502      0.977307  14.959      195.179     7.73602     195.179     
1 1 1 28 11 12 o 11.96   4.17282 -0.234065    0.876717  -0.114961    0.984368  10.1863     163.124     5.92877     163.124     
1 1 1 28 11 13 o 12.3816 4.27874 -0.100499    0.88867   0.216536     0.925472  15.4575     3.85876     8.03089     3.85876     
1 1 1 28 11 14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 11 15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 12 0  o 13.5618 6.05583 1.01835      0.906899  1.01835      0.906899  15.0265     360         10.1423     360         
1 1 1 28 12 1  o 11.1613 3.89103 -1.47939     0.83654   0.308687     0.800244  9.09396     13.791      4.5134      13.791      
1 1 1 28 12 2  o 12.9606 4.41736 -0.357312    0.835598  0.882089     0.922897  17.6401     146.279     6.93014     146.279     
1 1 1 28 12 3  o 14.4682 4.8353  0.407925     0.953372  1.23149      0.970253  19.8675     72.2799     2.87662     72.2799     
1 1 1 28 12 4  f 10.9248 3.82554 -0.217305    0.802626  -0.802209    0.820016  5.23844     154.777     0           0           
1 1 1 28 12 5  o 14.3345 4.80393 -0.139853    0.980889  1.49373      0.985663  15.7325     345.541     6.94721     165.541     
1 1 1 28 12 6  o 11.4252 3.98961 -0.0801933   0.863989  -0.611894    0.850916  10.7242     246.07      7.93544     66.0705     
1 1 1 28 12 7  o 13.2007 4.48911 -0.21041     0.881652  0.890106     0.926005  13.3433     277.788     8.43032     97.7878     
1 1 1 28 12 8  o 14.5376 4.79476 1.29025      0.899838  0.262938     0.917278  20.7368     232.66      12.4849     232.66      
1 1 1 28 12 9  o 14.417  4.79321 1.26998      0.931846  0.265105     0.931728  19.8734     166.536     12.299      166.536     
1 1 1 28 12 10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 12 11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 12 12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 12 13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 13 0  o 7.74854 3.96128 -0.863963    0.830629  -0.863963    0.830629  3.40392     180         14.7909     2.23118e-05 
1 1 1 28 13 1  o 11.1537 3.89799 0.10505      0.839785  -0.980807    0.790245  12.6931     180.244     5.46222     180.244     
1 1 1 28 13 2  o 11.6425 4.05516 -0.159564    0.872453  -0.338246    0.863072  14.3217     311.885     6.1578      311.885     
1 1 1 28 13 3  o 12.8784 4.42837 -0.702279    0.853359  1.05025      0.987333  16.2353     288.619     0.0124323   108.618     
1 1 1 28 13 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 13 5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 13 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 13 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 13 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 13 9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 28 14 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 0  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 0  1  o 13.0761 6.25182 0.930361     1.24485   0.930361     1.24485   15.0757     90          9.17132     90          
1 1 1 29 0  2  o 10.6124 5.31802 -0.111146    1.21916   -0.111146    1.21916   9.87144     180         4.07598     180         
1 1 1 29 0  3  o 14.9582 6.86352 1.52366      1.26756   1.52366      1.26756   24.0847     270         0.614056    270         
1 1 1 29 0  4  o 7.24245 3.77829 -2.20315     1.05359   -2.20315     1.05359   2.47961     180         1.69587     8.66403e-06 
1 1 1 29 0  5  o 10.9648 5.39694 0.189135     1.0957    0.189135     1.0957    5.21092     89.9999     2.57413     89.9999     
1 1 1 29 0  6  o 9.22904 4.67432 -0.580177    1.04102   -0.580177    1.04102   9.25901     180         0.32403     180         
1 1 1 29 0  7  o 14.7245 6.7196  1.40548      1.19291   1.40548      1.19291   15.9225     90          11.0508     90          
1 1 1 29 0  8  o 7.88468 4.06605 -1.329       0.986206  -1.329       0.986206  4.1084      3.88164e-06 0.937821    180         
1 1 1 29 0  9  o 11.8928 5.74366 0.544198     1.10673   0.544198     1.10673   18.2309     270         7.27281     270         
1 1 1 29 0  10 o 13.2162 6.23148 0.994715     1.16019   0.994715     1.16019   23.0003     180         7.75714     180         
1 1 1 29 0  11 o 9.51392 4.82828 -0.547356    1.13432   -0.547356    1.13432   11.5885     90          0.357306    270         
1 1 1 29 0  12 o 9.69497 4.88426 -0.325146    1.0788    -0.325146    1.0788    12.2144     180         1.26214     180         
1 1 1 29 0  13 o 9.80925 4.93979 -0.270422    1.09923   -0.270422    1.09923   12.5462     90          2.31289     90          
1 1 1 29 0  14 o 7.45839 3.87432 -1.69652     1.01394   -1.69652     1.01394   5.97335     180         4.72594     8.65445e-06 
1 1 1 29 0  15 o 11.7454 5.6753  0.648423     1.08352   0.648423     1.08352   4.81344     270         3.03562     270         
1 1 1 29 0  16 o 9.37068 4.70666 -0.2416      0.974504  -0.2416      0.974504  12.2351     1.4486e-06  1.58901     1.4486e-06  
1 1 1 29 0  17 o 8.2917  4.24579 -0.863154    0.973818  -0.863154    0.973818  6.20112     90          1.38956     90          
1 1 1 29 0  18 o 8.34576 4.28996 -1.01591     1.04703   -1.01591     1.04703   6.42986     180         1.74132     180         
1 1 1 29 0  19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 0  20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 1  0  o 16.6487 7.28207 1.89783      1.24254   1.89783      1.24254   31.2326     90          9.72828     90          
1 1 1 29 1  1  o 15.7377 5.30887 -0.15079     1.14175   2.4317       1.28139   20.007      55.0455     5.25911     235.046     
1 1 1 29 1  2  o 12.9657 4.52956 -0.974206    1.03014   0.798849     1.13936   16.5797     173.233     8.17684     173.233     
1 1 1 29 1  3  o 13.1595 4.58996 -0.642924    1.04896   0.737794     1.16158   14.8913     318.24      6.90675     138.24      
1 1 1 29 1  4  o 14.026  4.80799 -0.0494759   1.03478   1.06245      1.12282   18.7059     306.565     10.4506     306.565     
1 1 1 29 1  5  o 13.0946 4.56486 -0.345265    1.0106    0.505104     1.17029   16.8254     279.003     8.18434     279.003     
1 1 1 29 1  6  o 13.7222 4.72569 0.461836     1.01508   0.288022     1.16335   5.27882     271.364     3.47297     271.364     
1 1 1 29 1  7  o 13.9614 4.82889 -2.05596     0.92652   2.28981      1.2236    19.7539     281.938     9.98663     281.938     
1 1 1 29 1  8  o 11.1837 3.97971 -1.08712     0.983318  -0.999655    1.10002   13.1679     330.891     1.33031     150.891     
1 1 1 29 1  9  o 14.287  4.88156 0.584361     1.04719   0.74265      1.14434   20.906      279.076     3.93164     279.076     
1 1 1 29 1  10 o 13.4392 4.63321 0.945678     1.04455   -0.575724    1.08693   19.7312     0.196299    6.62745     0.196299    
1 1 1 29 1  11 o 11.5807 4.09864 -0.0134225   1.02748   -1.4571      1.0292    14.906      164.761     1.97657     164.761     
1 1 1 29 1  12 f 13.5011 4.68451 0.133295     1.10514   0.662447     1.1374    14.1549     121.405     0           0           
1 1 1 29 1  13 o 12.0116 4.22107 0.0495153    1.01316   -0.666713    1.0276    15.5304     110.726     6.8518      110.726     
1 1 1 29 1  14 o 11.2781 4.01416 0.238562     1.03068   -2.19574     1.04387   12.8807     140.287     3.99429     320.287     
1 1 1 29 1  15 o 10.8176 3.86288 -0.090428    1.00475   -2.07991     0.998169  13.6692     336.644     2.93453     336.644     
1 1 1 29 1  16 o 12.5848 4.3828  0.756595     1.02909   -0.501878    0.982472  17.1018     215.941     9.02495     215.941     
1 1 1 29 1  17 o 12.8454 4.49227 -0.414524    1.20704   0.677649     1.0524    17.3377     69.4474     0.144432    69.4471     
1 1 1 29 1  18 o 11.1854 3.9998  -0.0164097   1.06559   -2.53284     1.22875   10.1426     117.334     5.78554     117.334     
1 1 1 29 1  19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 1  20 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 2  0  o 7.63212 3.93166 -1.24573     0.90753   -1.24573     0.90753   0.848974    89.9997     0.229557    270         
1 1 1 29 2  1  o 15.1115 5.02583 0.220687     1.02492   1.51561      1.03379   20.5118     175.155     12.9455     175.155     
1 1 1 29 2  2  o 12.321  4.29701 -2.81022     0.990605  1.08105      0.989169  13.3567     9.89776     6.74591     9.89776     
1 1 1 29 2  3  o 14.4591 4.88718 0.67097      1.04033   0.752825     1.02482   22.1353     27.5959     9.77927     27.5959     
1 1 1 29 2  4  o 16.0314 5.26219 2.3569       1.13422   -0.18135     1.06807   17.1626     33.1616     12.809      213.162     
1 1 1 29 2  5  o 11.6654 4.12129 -0.439528    1.03531   -0.927274    1.01517   14.7269     6.87936     2.67275     6.87936     
1 1 1 29 2  6  f 11.6356 4.12346 -1.48399     1.04942   -0.177681    1.06105   5.65047     68.9014     0           0           
1 1 1 29 2  7  o 11.6951 4.11736 0.286815     0.980444  -1.73191     0.96807   14.8303     52.2056     1.33367     52.2056     
1 1 1 29 2  8  o 14.672  4.96509 0.896619     1.04871   0.710638     1.1014    20.2882     87.8077     12.1608     87.8077     
1 1 1 29 2  9  o 15.5711 5.20064 1.34438      1.1097    1.02838      1.09432   23.3399     46.1384     3.85817     46.1384     
1 1 1 29 2  10 o 9.86245 3.54422 -1.60334     0.971826  -1.95262     0.952175  10.2674     288.061     2.61532     108.061     
1 1 1 29 2  11 o 11.9828 4.20606 -0.555391    0.973027  -0.0996618   1.02097   4.09843     148.603     2.46044     148.603     
1 1 1 29 2  12 o 16.443  5.2505  2.71731      1.07926   -0.430042    1.05341   28.3666     220.497     15.5663     220.497     
1 1 1 29 2  13 o 15.7538 5.30053 1.87766      1.18143   1.16148      1.20706   12.7099     111.124     21.2657     291.124     
1 1 1 29 2  14 o 13.5737 4.68107 1.10029      1.08242   -0.0253645   1.06518   20.5747     299.102     9.10258     299.102     
1 1 1 29 2  15 o 11.0918 3.95897 -2.17484     0.954647  0.347645     1.03836   12.9282     42.5903     5.68593     42.5903     
1 1 1 29 2  16 o 15.7709 5.40846 1.90849      1.34405   2.09165      1.4107    14.6235     203.272     10.6947     203.272     
1 1 1 29 2  17 o 11.7537 4.21102 -1.64953     1.04036   0.511579     1.2932    15.6974     158.237     7.10302     158.237     
1 1 1 29 2  18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 2  19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 3  0  o 11.1892 5.42622 0.33145      1.01066   0.33145      1.01066   6.51812     270         3.34505     270         
1 1 1 29 3  1  o 13.4202 4.57963 1.22907      0.996229  -1.08334     0.957515  17.0567     280.733     9.19775     280.733     
1 1 1 29 3  2  f 11.7369 4.12216 -0.0179108   0.962668  -1.10619     0.969355  7.60203     118.061     0           0           
1 1 1 29 3  3  o 13.7059 4.66824 -0.0600281   1.00202   0.804517     0.982516  16.9284     12.0801     9.71196     12.0801     
1 1 1 29 3  4  o 11.3764 4.0122  -1.15034     0.961326  -0.308388    0.949077  12.1512     274.16      4.87033     274.16      
1 1 1 29 3  5  o 12.2566 4.27369 0.607122     0.985067  -1.35818     0.938754  7.65132     104.009     4.41123     104.009     
1 1 1 29 3  6  o 13.0952 4.51463 0.652954     1.00231   -0.486559    0.995733  12.2416     288.762     7.33208     288.762     
1 1 1 29 3  7  o 12.402  4.33393 -0.514484    1.00956   0.0571683    1.02711   16.8954     277.107     4.73665     277.107     
1 1 1 29 3  8  o 13.1248 4.55503 0.377867     1.0537    -0.154404    1.07937   18.1027     129.423     8.44234     129.423     
1 1 1 29 3  9  o 12.0681 4.22457 -0.948549    0.981319  0.233923     0.984597  5.71231     92.0513     3.38483     92.0513     
1 1 1 29 3  10 o 14.2281 4.85619 0.616096     1.01365   0.843742     1.14034   13.1799     28.4034     8.80717     28.4034     
1 1 1 29 3  11 f 16.2368 5.16361 2.80265      1.07591   -0.987345    1.00144   9.10505     3.47544     0           0           
1 1 1 29 3  12 o 12.7302 4.4332  0.34619      1.0164    -0.196274    1.06472   14.6329     140.112     8.36969     140.112     
1 1 1 29 3  13 o 11.3203 3.99674 -1.0814      0.959438  -0.0893718   0.954027  12.2471     75.0251     5.93155     75.0251     
1 1 1 29 3  14 o 13.5043 4.67295 0.235657     1.06995   0.921673     1.11363   19.4042     174.617     3.04655     174.617     
1 1 1 29 3  15 o 13.1924 4.62573 -0.330579    1.09366   1.16894      1.24474   16.0577     81.5496     4.46249     261.55      
1 1 1 29 3  16 o 13.0988 4.58951 -0.0658274   1.06978   0.847918     1.23826   17.3972     222.504     0.781791    42.5039     
1 1 1 29 3  17 o 15.228  5.10197 2.6733       1.14645   -1.20044     1.28307   25.4566     181.289     12.2463     181.289     
1 1 1 29 3  18 f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 3  19 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 4  0  o 10.5847 5.18588 0.132559     0.981631  0.132559     0.981631  11.3639     90          4.38451     90          
1 1 1 29 4  1  f 20.2233 5.88068 1.24089      1.09554   3.24062      1.09066   1.61227     250.756     0           0           
1 1 1 29 4  2  f 10.5231 3.7468  -0.923211    0.9191    -1.52022     0.952047  19.6816     114.443     0           0           
1 1 1 29 4  3  o 13.4793 4.61089 -0.0185851   1.00532   0.60389      0.976147  9.22823     206.355     5.93103     206.355     
1 1 1 29 4  4  o 10.9844 3.88777 -0.576545    0.924337  -1.23999     0.943471  13.0276     96.9843     0.109739    276.984     
1 1 1 29 4  5  o 13.6439 4.64769 -0.98061     0.953922  1.35502      1.02307   19.0516     12.8665     9.90116     12.8665     
1 1 1 29 4  6  o 14.3077 4.83975 0.187528     0.974208  1.12267      1.05372   8.96663     46.8573     6.14757     46.8573     
1 1 1 29 4  7  o 12.826  4.44067 -0.0256145   0.996661  0.151108     0.988953  10.8575     42.5397     6.56613     42.5397     
1 1 1 29 4  8  o 12.6086 4.39226 0.589686     1.05465   -0.690481    0.945377  7.831       33.7988     4.8186      33.7988     
1 1 1 29 4  9  o 14.2696 4.85476 1.25513      1.07643   0.136325     1.04534   13.3526     104.154     8.96128     104.154     
1 1 1 29 4  10 o 11.7933 4.15861 0.186738     1.02234   -1.24145     1.00924   9.55126     239.209     5.32516     239.209     
1 1 1 29 4  11 o 14.3854 4.86825 1.87069      1.07658   -0.767556    1.08036   22.5822     156.291     10.7004     156.291     
1 1 1 29 4  12 o 13.596  4.65664 1.37006      1.02918   -0.63581     1.04796   20.468      256.96      6.43337     256.96      
1 1 1 29 4  13 o 14.6144 4.98892 0.986077     1.08449   1.26153      1.1911    23.2689     181.968     9.94191     181.968     
1 1 1 29 4  14 o 10.8997 3.90151 -0.150093    1.05225   -2.2886      1.08611   7.3171      151.486     3.98459     151.486     
1 1 1 29 4  15 o 12.5988 4.45307 -1.40317     0.957219  1.45645      1.21135   17.0721     228.59      0.87362     228.59      
1 1 1 29 4  16 o 14.0078 4.81434 0.472193     1.02417   1.2562       1.17127   21.7244     267.614     7.02952     267.614     
1 1 1 29 4  17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 4  18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 5  0  o 8.67674 4.40424 -0.682119    0.945721  -0.682119    0.945721  8.78545     270         3.75213     90          
1 1 1 29 5  1  o 10.4096 3.70493 -1.92637     0.870452  -0.448493    0.897117  4.52657     134.92      2.019       134.92      
1 1 1 29 5  2  o 13.0533 4.50125 0.25808      0.995545  0.0330781    0.984722  5.21482     220.522     3.35036     220.522     
1 1 1 29 5  3  o 12.8457 4.44902 0.178891     1.00828   -0.0879843   0.988094  17.4634     152.575     1.75546     152.575     
1 1 1 29 5  4  o 14.6857 4.93687 1.54661      1.06334   -0.0822756   1.01522   22.913      13.6686     11.2405     13.6686     
1 1 1 29 5  5  o 13.1018 4.50278 -1.49939     0.961093  1.27341      1.00445   16.0904     176.537     8.96256     176.537     
1 1 1 29 5  6  o 14.2104 4.82192 0.899927     1.02894   0.45776      1.0277    21.8349     98.8338     8.17699     98.8338     
1 1 1 29 5  7  o 14.6309 4.89568 0.200066     0.985181  1.39634      1.00959   21.8068     239.366     12.653      239.366     
1 1 1 29 5  8  o 13.0394 4.5022  0.620259     0.993449  -0.253671    1.01964   8.76227     4.21878     5.63817     4.21878     
1 1 1 29 5  9  o 13.5037 4.65649 0.880371     1.07997   -0.0238381   1.03405   19.4215     251.579     3.53675     251.579     
1 1 1 29 5  10 o 11.5459 4.075   -0.302274    1.02905   -0.679044    0.946331  15.2627     223.532     4.06306     223.532     
1 1 1 29 5  11 o 12.8642 4.51575 0.67899      1.126     -0.602759    1.20881   18.07       303.657     3.06249     303.657     
1 1 1 29 5  12 o 13.4202 4.67131 1.76274      1.15785   -1.43788     1.12937   16.7054     315.443     10.1269     315.443     
1 1 1 29 5  13 o 11.9698 4.285   -1.04953     0.964975  0.512822     1.42475   16.2959     3.81912     6.51508     3.81912     
1 1 1 29 5  14 o 13.3651 4.63575 0.921693     1.06067   -0.026964    1.17271   20.365      250.148     9.22956     250.148     
1 1 1 29 5  15 o 13.1558 4.58421 0.32226      1.07002   0.510939     1.15463   8.02323     124.381     5.52408     124.381     
1 1 1 29 5  16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 5  17 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 5  18 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 6  0  o 11.715  5.59606 0.544854     0.99307   0.544854     0.99307   16.9874     90          7.91065     90          
1 1 1 29 6  1  f 12.052  4.20857 -1.19028     1.00027   0.368511     0.94058   10.9203     226.802     0           0           
1 1 1 29 6  2  o 18.9588 5.74018 1.26362      1.02991   2.84994      1.07559   19.4065     300.487     15.4584     300.487     
1 1 1 29 6  3  o 16.5964 5.36854 1.46628      1.02744   1.56596      1.04418   26.2285     333.89      17.2778     333.89      
1 1 1 29 6  4  o 13.7114 4.65837 1.22127      0.987262  -0.498816    0.989038  18.9363     174.42      10.6334     174.42      
1 1 1 29 6  5  o 12.8997 4.45229 -0.134762    0.953696  0.475951     0.992223  15.7147     14.024      8.77015     14.024      
1 1 1 29 6  6  o 12.56   4.37284 0.327705     0.991166  -0.404364    1.03124   15.6459     104.739     8.16323     104.739     
1 1 1 29 6  7  o 13.6287 4.73109 -0.971655    0.997535  1.73434      1.19824   19.8762     349.041     9.86128     349.041     
1 1 1 29 6  8  o 14.5699 5.05641 0.00865472   1.0504    2.27851      1.43315   20.2024     208.659     12.2744     208.659     
1 1 1 29 6  9  o 11.9088 4.21021 0.664124     1.05636   -1.95032     1.06621   16.2286     343.9       4.30879     343.9       
1 1 1 29 6  10 o 14.3256 4.88936 -0.514407    1.13791   1.90999      1.11926   10.0573     138.003     7.09273     138.003     
1 1 1 29 6  11 o 11.5264 4.08149 -0.858252    0.964821  -0.0782038   1.07009   10.8202     131.948     5.9936      131.948     
1 1 1 29 6  12 o 10.634  3.8037  -1.24808     0.981314  -1.01312     1.0649    13.4141     144.763     2.54004     144.763     
1 1 1 29 6  13 o 13.1447 4.58191 -0.286082    1.159     0.900236     1.09606   11.6553     167.538     7.74871     167.538     
1 1 1 29 6  14 o 15.4512 5.13379 -1.00111     1.08337   2.90782      1.16528   18.5042     203.512     13.4285     203.512     
1 1 1 29 6  15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 6  16 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 7  0  o 6.25376 3.27449 -2.25444     0.86503   -2.25444     0.86503   1.39429     90          2.20151     270         
1 1 1 29 7  1  o 11.6191 4.11481 -0.282211    0.980714  -1.17327     1.16739   5.73478     95.4013     3.31046     95.4013     
1 1 1 29 7  2  o 9.48034 3.45925 -2.76398     0.805644  -1.38391     1.15955   7.96831     260.667     2.01164     260.667     
1 1 1 29 7  3  o 12.1527 4.27862 -0.198036    1.02999   -0.393891    1.11034   9.49382     135.017     5.59917     135.017     
1 1 1 29 7  4  o 11.7397 4.13918 0.316        0.992273  -1.57057     1.04591   15.1393     137.375     0.593068    137.375     
1 1 1 29 7  5  o 13.3539 4.62043 0.001003     0.997566  0.850055     1.11856   18.4915     345.742     9.99914     345.742     
1 1 1 29 7  6  o 15.6585 5.23457 1.56367      1.10556   1.32462      1.14171   19.6398     328.574     13.6978     328.574     
1 1 1 29 7  7  o 11.7648 4.17318 -0.670379    1.13302   -0.384799    1.08002   8.11832     21.3836     4.76901     21.3836     
1 1 1 29 7  8  o 13.9826 4.83561 0.125057     1.18035   1.37852      1.16734   17.9287     111.031     3.0286      291.031     
1 1 1 29 7  9  o 11.9471 4.22992 -1.28262     1.00418   0.587456     1.11947   7.41675     208.188     4.56077     208.188     
1 1 1 29 7  10 o 14.8312 5.00321 1.38938      1.0649    0.924024     1.08489   22.9723     126.156     13.8859     126.156     
1 1 1 29 7  11 o 13.6996 4.70496 2.02553      1.10409   -1.53839     1.01652   17.0219     27.1806     10.9866     27.1806     
1 1 1 29 7  12 o 12.6104 4.38993 0.373045     1.02306   -0.052093    0.99979   17.2613     33.9055     9.49206     33.9055     
1 1 1 29 7  13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 7  14 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 7  15 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 8  0  o 14.0008 6.57999 1.43729      1.27581   1.43729      1.27581   6.75861     270         4.84449     270         
1 1 1 29 8  1  o 12.7583 4.48276 0.05122      1.24994   0.125869     1.0596    14.8925     114.329     8.59821     114.329     
1 1 1 29 8  2  o 13.4701 4.65781 1.27312      1.10556   -0.384381    1.04865   14.1926     346.014     9.11435     346.014     
1 1 1 29 8  3  o 12.3036 4.33176 0.879677     1.07936   -1.59635     1.08931   15.8347     322.245     7.9963      322.245     
1 1 1 29 8  4  f 15.7321 5.31805 2.71497      1.26184   0.28919      1.26364   14.7652     348.96      0           0           
1 1 1 29 8  5  o 11.3099 4.02347 -1.01993     1.06402   -0.466408    1.06276   14.6228     144.259     5.24302     144.259     
1 1 1 29 8  6  o 13.3287 4.69605 0.771243     1.47932   0.236112     1.1122    19.4335     96.2427     9.63788     96.2427     
1 1 1 29 8  7  o 12.1351 4.27151 -2.08267     1.31041   0.622063     0.992448  13.9037     6.10714     7.8357      6.10714     
1 1 1 29 8  8  o 13.643  4.76789 1.44353      1.36882   0.0496328    1.02078   20.9097     344.497     8.39869     344.497     
1 1 1 29 8  9  o 12.8196 4.44372 0.0785216    1.03482   0.423191     0.979031  18.5085     149.158     9.51573     149.158     
1 1 1 29 8  10 o 14.8077 4.98174 1.61149      1.06272   0.576172     1.04946   24.3674     346.634     12.2649     346.634     
1 1 1 29 8  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 8  12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 8  13 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 9  0  o 10.9228 5.29606 0.388031     0.961763  0.388031     0.961763  17.1601     270         4.09245     270         
1 1 1 29 9  1  o 9.8815  3.53271 -1.45866     0.822884  -0.957382    0.906636  6.34788     90.8172     2.97758     90.8172     
1 1 1 29 9  2  o 9.64713 3.46131 -0.524318    0.846862  -2.61949     0.875063  6.53025     140.428     2.84914     140.428     
1 1 1 29 9  3  o 12.1636 4.23688 0.00322962   0.930816  -0.0365346   0.965869  8.73976     161.382     5.5675      161.382     
1 1 1 29 9  4  o 11.7705 4.12018 0.0129788    0.92629   -0.462338    0.949215  14.8571     288.833     1.40543     108.833     
1 1 1 29 9  5  o 9.26822 3.33234 -1.32762     0.851346  -2.04883     0.860496  10.0718     48.362      1.38383     48.362      
1 1 1 29 9  6  o 14.0919 4.73785 1.50412      0.965873  -0.237979    1.0022    16.3788     194.644     11.2645     194.644     
1 1 1 29 9  7  o 11.1814 3.94917 -0.558154    0.840503  -0.472612    1.0304    14.9613     334.286     5.72259     334.286     
1 1 1 29 9  8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 9  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 9  10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 9  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 5  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 10 8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 11 0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 29 11 1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 0  0  f 10.5818 5.39392 -1.3937      1.48683   -1.3937      1.48683   5.11904     180         0           0           
1 1 1 30 0  1  o 13.4906 6.3174  1.298        1.15867   1.298        1.15867   23.2287     90          15.2976     90          
1 1 1 30 0  2  o 12.443  6.06685 1.02049      1.3038    1.02049      1.3038    18.2542     180         4.70518     8.65142e-06 
1 1 1 30 0  3  o 11.3417 5.53699 0.560445     1.0945    0.560445     1.0945    20.0622     90          6.04929     90          
1 1 1 30 0  4  o 8.65411 4.41353 -0.651091    1.0014    -0.651091    1.0014    3.43133     360         1.42252     360         
1 1 1 30 0  5  o 16.5153 7.12314 2.00388      1.15102   2.00388      1.15102   36.7613     90          25.1767     90          
1 1 1 30 0  6  o 9.04848 4.58232 -0.415174    0.999216  -0.415174    0.999216  5.42104     180         2.54523     180         
1 1 1 30 0  7  o 8.08406 4.17127 -1.17974     1.0472    -1.17974     1.0472    4.67945     90          1.52175     90          
1 1 1 30 0  8  o 11.4354 5.57815 0.597182     1.10527   0.597182     1.10527   19.1285     360         10.5353     360         
1 1 1 30 0  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 0  10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 0  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 0  12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 1  0  o 11.8852 5.73909 0.760319     1.10405   0.760319     1.10405   17.0764     1.43806e-06 10.4599     1.43806e-06 
1 1 1 30 1  1  o 12.779  4.45198 0.786683     1.06042   -0.149416    1.0288    19.4456     200.017     10.7103     200.017     
1 1 1 30 1  2  o 10.9847 3.9097  -0.264629    1.0032    -1.26051     1.01023   15.1796     159.172     0.878213    159.172     
1 1 1 30 1  3  o 12.3005 4.30925 -0.712861    1.02354   0.724941     1.03235   17.6861     268.889     0.621535    268.889     
1 1 1 30 1  4  o 13.508  4.64506 -1.27237     1.01006   1.9368       1.07732   7.74697     302.493     5.56729     302.493     
1 1 1 30 1  5  o 13.9132 4.75816 -0.597501    1.06355   1.87673      1.08059   12.4161     259.403     8.92116     259.403     
1 1 1 30 1  6  o 10.5412 3.7771  -1.6196      1.00201   -0.680438    1.0485    14.7427     52.4784     2.81187     52.4784     
1 1 1 30 1  7  o 10.4107 3.73855 -1.259       1.08499   -1.41396     1.0308    14.5205     331.338     3.06465     331.338     
1 1 1 30 1  8  o 13.4648 4.64724 0.846548     1.06657   0.537648     1.05771   21.6145     53.2434     12.7937     53.2434     
1 1 1 30 1  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 1  10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 1  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 1  12 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 2  0  o 12.992  6.06962 1.08467      1.05948   1.08467      1.05948   9.78137     180         7.02497     180         
1 1 1 30 2  1  o 12.8561 4.49418 1.47184      1.10903   -1.21955     1.04914   20.7666     311.95      8.51762     311.95      
1 1 1 30 2  2  o 11.9904 4.22941 0.933124     1.05732   -1.50259     0.990139  16.4505     51.3439     9.13942     51.3439     
1 1 1 30 2  3  o 11.4128 4.04699 -0.500044    1.02388   -0.453891    1.04512   16.769      270.555     3.50147     270.555     
1 1 1 30 2  4  o 11.1518 3.96548 -0.893995    0.971053  -0.354987    1.06391   15.1962     161.539     7.35912     161.539     
1 1 1 30 2  5  o 14.2353 4.85272 1.08958      1.06101   0.967713     1.07599   11.0999     137.024     8.14967     137.024     
1 1 1 30 2  6  o 13.367  4.61686 -0.540942    0.99453   1.56147      1.08879   21.7884     162.517     12.1313     162.517     
1 1 1 30 2  7  o 15.4913 5.1985  1.55438      1.13441   1.66906      1.11824   27.2307     209.35      17.2677     209.35      
1 1 1 30 2  8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 2  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 2  10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 2  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 3  0  o 12.2741 5.88483 0.890316     1.11847   0.890316     1.11847   23.1953     180         9.07467     180         
1 1 1 30 3  1  o 12.9964 4.51712 -1.0952      1.10547   1.37944      1.05748   21.2241     266.622     9.95898     266.622     
1 1 1 30 3  2  o 10.8176 3.84699 -0.784471    1.00289   -0.736953    0.936044  15.4729     277.429     3.37634     277.429     
1 1 1 30 3  3  o 10.6842 3.81611 -1.22454     0.994535  -0.719478    1.02206   14.0184     112.046     6.45289     112.046     
1 1 1 30 3  4  o 14.9127 5.09352 0.654515     1.24276   2.05277      1.18612   22.9075     280.788     1.8874      280.788     
1 1 1 30 3  5  o 12.5877 4.42405 -0.474037    1.09597   0.767        1.12954   18.7208     276.398     10.6935     276.398     
1 1 1 30 3  6  f 14.7122 5.08345 1.8016       1.30948   1.11378      1.24665   6.79002     242.462     0           0           
1 1 1 30 3  7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 3  8  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 3  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 3  10 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 3  11 o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 4  0  o 11.578  5.75503 0.618509     1.33686   0.618509     1.33686   12.5377     180         7.96838     180         
1 1 1 30 4  1  o 14.5588 5.12087 -1.55774     1.35885   3.51922      1.49762   17.3096     211.108     12.1698     211.108     
1 1 1 30 4  2  o 11.5896 4.14438 -0.025688    1.16653   -1.60497     1.28076   17.5608     127.174     6.56832     127.174     
1 1 1 30 4  3  o 12.6286 4.48407 1.23473      1.25142   -1.57794     1.29019   18.4977     285.523     10.671      285.523     
1 1 1 30 4  4  o 15.1851 5.28462 1.07685      1.41151   2.76448      1.49452   26.3314     221.278     15.5244     221.278     
1 1 1 30 4  5  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 4  6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 4  7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 4  8  f ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 4  9  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  6  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  7  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 5  8  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 6  0  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 6  1  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 6  2  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 6  3  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 6  4  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
1 1 1 30 6  5  o ?       ?       ?            ?         ?            ?         ?           ?           ?           ?           
# 
#END OF REFLECTIONS
